data_3TVM # _entry.id 3TVM # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.281 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3TVM RCSB RCSB067975 WWPDB D_1000067975 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 3RZC . unspecified PDB 3T1F . unspecified PDB 3TA3 . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3TVM _pdbx_database_status.recvd_initial_deposition_date 2011-09-20 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Girardi, E.' 1 'Li, Y.' 2 'Zajonc, D.M.' 3 # _citation.id primary _citation.title 'Glycolipids that Elicit IFN-gama-Biased Responses from Natural Killer T Cells' _citation.journal_abbrev Chem.Biol. _citation.journal_volume 18 _citation.page_first 1620 _citation.page_last 1630 _citation.year 2011 _citation.journal_id_ASTM CBOLE2 _citation.country UK _citation.journal_id_ISSN 1074-5521 _citation.journal_id_CSD 2050 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 22195564 _citation.pdbx_database_id_DOI 10.1016/j.chembiol.2011.10.015 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Tyznik, A.J.' 1 primary 'Farber, E.' 2 primary 'Girardi, E.' 3 primary 'Birkholz, A.' 4 primary 'Li, Y.' 5 primary 'Chitale, S.' 6 primary 'So, R.' 7 primary 'Arora, P.' 8 primary 'Khurana, A.' 9 primary 'Wang, J.' 10 primary 'Porcelli, S.A.' 11 primary 'Zajonc, D.M.' 12 primary 'Kronenberg, M.' 13 primary 'Howell, A.R.' 14 # _cell.entry_id 3TVM _cell.length_a 78.970 _cell.length_b 150.570 _cell.length_c 101.960 _cell.angle_alpha 90.00 _cell.angle_beta 96.35 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 3TVM _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'Antigen-presenting glycoprotein CD1d1' 32632.668 2 ? ? 'residues 19-298' ? 2 polymer man beta-2-microglobulin 11660.350 2 ? ? ? ? 3 polymer man 'Valpha14 (mouse variable domain, human constant domain)' 23055.621 2 ? ? ? ? 4 polymer man 'Vbeta8.2 (mouse variable domain, human constant domain)' 27026.998 2 ? ? ? ? 5 non-polymer syn N-ACETYL-D-GLUCOSAMINE 221.208 10 ? ? ? ? 6 non-polymer man ALPHA-L-FUCOSE 164.156 2 ? ? ? ? 7 non-polymer syn 'N-[(2S,3R)-10-[(1R,2R)-2-decylcyclopropyl]-1-(alpha-D-galactopyranosyloxy)-3-hydroxydecan-2-yl]hexacosanamide' 910.440 2 ? ? ? ? 8 non-polymer syn 'CHLORIDE ION' 35.453 1 ? ? ? ? 9 non-polymer syn GLYCEROL 92.094 1 ? ? ? ? 10 water nat water 18.015 60 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'T cell surface glycoprotein CD1d' # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;SEAQQKNYTFRCLQMSSFANRSWSRTDSVVWLGDLQTHRWSNDSATISFTKPWSQGKLSNQQWEKLQHMFQVYRVSFTRD IQELVKMMSPKEDYPIEIQLSAGCEMYPGNASESFLHVAFQGKYVVRFWGTSWQTVPGAPSWLDLPIKVLNADQGTSATV QMLLNDTCPLFVRGLLEAGKSDLEKQEKPVAWLSSVPSSAHGHRQLVCHVSGFYPKPVWVMWMRGDQEQQGTHRGDFLPN ADETWYLQATLDVEAGEEAGLACRVKHSSLGGQDIILYWHHHHHH ; ;SEAQQKNYTFRCLQMSSFANRSWSRTDSVVWLGDLQTHRWSNDSATISFTKPWSQGKLSNQQWEKLQHMFQVYRVSFTRD IQELVKMMSPKEDYPIEIQLSAGCEMYPGNASESFLHVAFQGKYVVRFWGTSWQTVPGAPSWLDLPIKVLNADQGTSATV QMLLNDTCPLFVRGLLEAGKSDLEKQEKPVAWLSSVPSSAHGHRQLVCHVSGFYPKPVWVMWMRGDQEQQGTHRGDFLPN ADETWYLQATLDVEAGEEAGLACRVKHSSLGGQDIILYWHHHHHH ; A,E ? 2 'polypeptide(L)' no no ;IQKTPQIQVYSRHPPENGKPNILNCYVTQFHPPHIEIQMLKNGKKIPKVEMSDMSFSKDWSFYILAHTEFTPTETDTYAC RVKHASMAEPKTVYWDRDM ; ;IQKTPQIQVYSRHPPENGKPNILNCYVTQFHPPHIEIQMLKNGKKIPKVEMSDMSFSKDWSFYILAHTEFTPTETDTYAC RVKHASMAEPKTVYWDRDM ; B,F ? 3 'polypeptide(L)' no no ;MKTQVEQSPQSLVVRQGENCVLQCNYSVTPDNHLRWFKQDTGKGLVSLTVLVDQKDKTSNGRYSATLDKDAKHSTLHITA TLLDDTATYICVVGDRGSALGRLHFGAGTQLIVIPDIQNPDPAVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYIT DKCVLDMRSMDFKSNSAVAWSNKSDFACANAFNNSIIPEDTFFPSPESS ; ;MKTQVEQSPQSLVVRQGENCVLQCNYSVTPDNHLRWFKQDTGKGLVSLTVLVDQKDKTSNGRYSATLDKDAKHSTLHITA TLLDDTATYICVVGDRGSALGRLHFGAGTQLIVIPDIQNPDPAVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYIT DKCVLDMRSMDFKSNSAVAWSNKSDFACANAFNNSIIPEDTFFPSPESS ; C,G ? 4 'polypeptide(L)' no no ;MEAAVTQSPRNKVAVTGGKVTLSCNQTNNHNNMYWYRQDTGHGLRLIHYSYGAGSTEKGDIPDGYKASRPSQENFSLILE LATPSQTSVYFCASGDEGYTQYFGPGTRLLVLEDLRNVTPPKVSLFEPSKAEISHTQKATLVCLATGFYPDHVELSWWVN GKEVHSGVCTDPQPLKEQPALNDSRYSLSSRLRVSATFWQNPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAWGR A ; ;MEAAVTQSPRNKVAVTGGKVTLSCNQTNNHNNMYWYRQDTGHGLRLIHYSYGAGSTEKGDIPDGYKASRPSQENFSLILE LATPSQTSVYFCASGDEGYTQYFGPGTRLLVLEDLRNVTPPKVSLFEPSKAEISHTQKATLVCLATGFYPDHVELSWWVN GKEVHSGVCTDPQPLKEQPALNDSRYSLSSRLRVSATFWQNPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAWGR A ; D,H ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 SER n 1 2 GLU n 1 3 ALA n 1 4 GLN n 1 5 GLN n 1 6 LYS n 1 7 ASN n 1 8 TYR n 1 9 THR n 1 10 PHE n 1 11 ARG n 1 12 CYS n 1 13 LEU n 1 14 GLN n 1 15 MET n 1 16 SER n 1 17 SER n 1 18 PHE n 1 19 ALA n 1 20 ASN n 1 21 ARG n 1 22 SER n 1 23 TRP n 1 24 SER n 1 25 ARG n 1 26 THR n 1 27 ASP n 1 28 SER n 1 29 VAL n 1 30 VAL n 1 31 TRP n 1 32 LEU n 1 33 GLY n 1 34 ASP n 1 35 LEU n 1 36 GLN n 1 37 THR n 1 38 HIS n 1 39 ARG n 1 40 TRP n 1 41 SER n 1 42 ASN n 1 43 ASP n 1 44 SER n 1 45 ALA n 1 46 THR n 1 47 ILE n 1 48 SER n 1 49 PHE n 1 50 THR n 1 51 LYS n 1 52 PRO n 1 53 TRP n 1 54 SER n 1 55 GLN n 1 56 GLY n 1 57 LYS n 1 58 LEU n 1 59 SER n 1 60 ASN n 1 61 GLN n 1 62 GLN n 1 63 TRP n 1 64 GLU n 1 65 LYS n 1 66 LEU n 1 67 GLN n 1 68 HIS n 1 69 MET n 1 70 PHE n 1 71 GLN n 1 72 VAL n 1 73 TYR n 1 74 ARG n 1 75 VAL n 1 76 SER n 1 77 PHE n 1 78 THR n 1 79 ARG n 1 80 ASP n 1 81 ILE n 1 82 GLN n 1 83 GLU n 1 84 LEU n 1 85 VAL n 1 86 LYS n 1 87 MET n 1 88 MET n 1 89 SER n 1 90 PRO n 1 91 LYS n 1 92 GLU n 1 93 ASP n 1 94 TYR n 1 95 PRO n 1 96 ILE n 1 97 GLU n 1 98 ILE n 1 99 GLN n 1 100 LEU n 1 101 SER n 1 102 ALA n 1 103 GLY n 1 104 CYS n 1 105 GLU n 1 106 MET n 1 107 TYR n 1 108 PRO n 1 109 GLY n 1 110 ASN n 1 111 ALA n 1 112 SER n 1 113 GLU n 1 114 SER n 1 115 PHE n 1 116 LEU n 1 117 HIS n 1 118 VAL n 1 119 ALA n 1 120 PHE n 1 121 GLN n 1 122 GLY n 1 123 LYS n 1 124 TYR n 1 125 VAL n 1 126 VAL n 1 127 ARG n 1 128 PHE n 1 129 TRP n 1 130 GLY n 1 131 THR n 1 132 SER n 1 133 TRP n 1 134 GLN n 1 135 THR n 1 136 VAL n 1 137 PRO n 1 138 GLY n 1 139 ALA n 1 140 PRO n 1 141 SER n 1 142 TRP n 1 143 LEU n 1 144 ASP n 1 145 LEU n 1 146 PRO n 1 147 ILE n 1 148 LYS n 1 149 VAL n 1 150 LEU n 1 151 ASN n 1 152 ALA n 1 153 ASP n 1 154 GLN n 1 155 GLY n 1 156 THR n 1 157 SER n 1 158 ALA n 1 159 THR n 1 160 VAL n 1 161 GLN n 1 162 MET n 1 163 LEU n 1 164 LEU n 1 165 ASN n 1 166 ASP n 1 167 THR n 1 168 CYS n 1 169 PRO n 1 170 LEU n 1 171 PHE n 1 172 VAL n 1 173 ARG n 1 174 GLY n 1 175 LEU n 1 176 LEU n 1 177 GLU n 1 178 ALA n 1 179 GLY n 1 180 LYS n 1 181 SER n 1 182 ASP n 1 183 LEU n 1 184 GLU n 1 185 LYS n 1 186 GLN n 1 187 GLU n 1 188 LYS n 1 189 PRO n 1 190 VAL n 1 191 ALA n 1 192 TRP n 1 193 LEU n 1 194 SER n 1 195 SER n 1 196 VAL n 1 197 PRO n 1 198 SER n 1 199 SER n 1 200 ALA n 1 201 HIS n 1 202 GLY n 1 203 HIS n 1 204 ARG n 1 205 GLN n 1 206 LEU n 1 207 VAL n 1 208 CYS n 1 209 HIS n 1 210 VAL n 1 211 SER n 1 212 GLY n 1 213 PHE n 1 214 TYR n 1 215 PRO n 1 216 LYS n 1 217 PRO n 1 218 VAL n 1 219 TRP n 1 220 VAL n 1 221 MET n 1 222 TRP n 1 223 MET n 1 224 ARG n 1 225 GLY n 1 226 ASP n 1 227 GLN n 1 228 GLU n 1 229 GLN n 1 230 GLN n 1 231 GLY n 1 232 THR n 1 233 HIS n 1 234 ARG n 1 235 GLY n 1 236 ASP n 1 237 PHE n 1 238 LEU n 1 239 PRO n 1 240 ASN n 1 241 ALA n 1 242 ASP n 1 243 GLU n 1 244 THR n 1 245 TRP n 1 246 TYR n 1 247 LEU n 1 248 GLN n 1 249 ALA n 1 250 THR n 1 251 LEU n 1 252 ASP n 1 253 VAL n 1 254 GLU n 1 255 ALA n 1 256 GLY n 1 257 GLU n 1 258 GLU n 1 259 ALA n 1 260 GLY n 1 261 LEU n 1 262 ALA n 1 263 CYS n 1 264 ARG n 1 265 VAL n 1 266 LYS n 1 267 HIS n 1 268 SER n 1 269 SER n 1 270 LEU n 1 271 GLY n 1 272 GLY n 1 273 GLN n 1 274 ASP n 1 275 ILE n 1 276 ILE n 1 277 LEU n 1 278 TYR n 1 279 TRP n 1 280 HIS n 1 281 HIS n 1 282 HIS n 1 283 HIS n 1 284 HIS n 1 285 HIS n 2 1 ILE n 2 2 GLN n 2 3 LYS n 2 4 THR n 2 5 PRO n 2 6 GLN n 2 7 ILE n 2 8 GLN n 2 9 VAL n 2 10 TYR n 2 11 SER n 2 12 ARG n 2 13 HIS n 2 14 PRO n 2 15 PRO n 2 16 GLU n 2 17 ASN n 2 18 GLY n 2 19 LYS n 2 20 PRO n 2 21 ASN n 2 22 ILE n 2 23 LEU n 2 24 ASN n 2 25 CYS n 2 26 TYR n 2 27 VAL n 2 28 THR n 2 29 GLN n 2 30 PHE n 2 31 HIS n 2 32 PRO n 2 33 PRO n 2 34 HIS n 2 35 ILE n 2 36 GLU n 2 37 ILE n 2 38 GLN n 2 39 MET n 2 40 LEU n 2 41 LYS n 2 42 ASN n 2 43 GLY n 2 44 LYS n 2 45 LYS n 2 46 ILE n 2 47 PRO n 2 48 LYS n 2 49 VAL n 2 50 GLU n 2 51 MET n 2 52 SER n 2 53 ASP n 2 54 MET n 2 55 SER n 2 56 PHE n 2 57 SER n 2 58 LYS n 2 59 ASP n 2 60 TRP n 2 61 SER n 2 62 PHE n 2 63 TYR n 2 64 ILE n 2 65 LEU n 2 66 ALA n 2 67 HIS n 2 68 THR n 2 69 GLU n 2 70 PHE n 2 71 THR n 2 72 PRO n 2 73 THR n 2 74 GLU n 2 75 THR n 2 76 ASP n 2 77 THR n 2 78 TYR n 2 79 ALA n 2 80 CYS n 2 81 ARG n 2 82 VAL n 2 83 LYS n 2 84 HIS n 2 85 ALA n 2 86 SER n 2 87 MET n 2 88 ALA n 2 89 GLU n 2 90 PRO n 2 91 LYS n 2 92 THR n 2 93 VAL n 2 94 TYR n 2 95 TRP n 2 96 ASP n 2 97 ARG n 2 98 ASP n 2 99 MET n 3 1 MET n 3 2 LYS n 3 3 THR n 3 4 GLN n 3 5 VAL n 3 6 GLU n 3 7 GLN n 3 8 SER n 3 9 PRO n 3 10 GLN n 3 11 SER n 3 12 LEU n 3 13 VAL n 3 14 VAL n 3 15 ARG n 3 16 GLN n 3 17 GLY n 3 18 GLU n 3 19 ASN n 3 20 CYS n 3 21 VAL n 3 22 LEU n 3 23 GLN n 3 24 CYS n 3 25 ASN n 3 26 TYR n 3 27 SER n 3 28 VAL n 3 29 THR n 3 30 PRO n 3 31 ASP n 3 32 ASN n 3 33 HIS n 3 34 LEU n 3 35 ARG n 3 36 TRP n 3 37 PHE n 3 38 LYS n 3 39 GLN n 3 40 ASP n 3 41 THR n 3 42 GLY n 3 43 LYS n 3 44 GLY n 3 45 LEU n 3 46 VAL n 3 47 SER n 3 48 LEU n 3 49 THR n 3 50 VAL n 3 51 LEU n 3 52 VAL n 3 53 ASP n 3 54 GLN n 3 55 LYS n 3 56 ASP n 3 57 LYS n 3 58 THR n 3 59 SER n 3 60 ASN n 3 61 GLY n 3 62 ARG n 3 63 TYR n 3 64 SER n 3 65 ALA n 3 66 THR n 3 67 LEU n 3 68 ASP n 3 69 LYS n 3 70 ASP n 3 71 ALA n 3 72 LYS n 3 73 HIS n 3 74 SER n 3 75 THR n 3 76 LEU n 3 77 HIS n 3 78 ILE n 3 79 THR n 3 80 ALA n 3 81 THR n 3 82 LEU n 3 83 LEU n 3 84 ASP n 3 85 ASP n 3 86 THR n 3 87 ALA n 3 88 THR n 3 89 TYR n 3 90 ILE n 3 91 CYS n 3 92 VAL n 3 93 VAL n 3 94 GLY n 3 95 ASP n 3 96 ARG n 3 97 GLY n 3 98 SER n 3 99 ALA n 3 100 LEU n 3 101 GLY n 3 102 ARG n 3 103 LEU n 3 104 HIS n 3 105 PHE n 3 106 GLY n 3 107 ALA n 3 108 GLY n 3 109 THR n 3 110 GLN n 3 111 LEU n 3 112 ILE n 3 113 VAL n 3 114 ILE n 3 115 PRO n 3 116 ASP n 3 117 ILE n 3 118 GLN n 3 119 ASN n 3 120 PRO n 3 121 ASP n 3 122 PRO n 3 123 ALA n 3 124 VAL n 3 125 TYR n 3 126 GLN n 3 127 LEU n 3 128 ARG n 3 129 ASP n 3 130 SER n 3 131 LYS n 3 132 SER n 3 133 SER n 3 134 ASP n 3 135 LYS n 3 136 SER n 3 137 VAL n 3 138 CYS n 3 139 LEU n 3 140 PHE n 3 141 THR n 3 142 ASP n 3 143 PHE n 3 144 ASP n 3 145 SER n 3 146 GLN n 3 147 THR n 3 148 ASN n 3 149 VAL n 3 150 SER n 3 151 GLN n 3 152 SER n 3 153 LYS n 3 154 ASP n 3 155 SER n 3 156 ASP n 3 157 VAL n 3 158 TYR n 3 159 ILE n 3 160 THR n 3 161 ASP n 3 162 LYS n 3 163 CYS n 3 164 VAL n 3 165 LEU n 3 166 ASP n 3 167 MET n 3 168 ARG n 3 169 SER n 3 170 MET n 3 171 ASP n 3 172 PHE n 3 173 LYS n 3 174 SER n 3 175 ASN n 3 176 SER n 3 177 ALA n 3 178 VAL n 3 179 ALA n 3 180 TRP n 3 181 SER n 3 182 ASN n 3 183 LYS n 3 184 SER n 3 185 ASP n 3 186 PHE n 3 187 ALA n 3 188 CYS n 3 189 ALA n 3 190 ASN n 3 191 ALA n 3 192 PHE n 3 193 ASN n 3 194 ASN n 3 195 SER n 3 196 ILE n 3 197 ILE n 3 198 PRO n 3 199 GLU n 3 200 ASP n 3 201 THR n 3 202 PHE n 3 203 PHE n 3 204 PRO n 3 205 SER n 3 206 PRO n 3 207 GLU n 3 208 SER n 3 209 SER n 4 1 MET n 4 2 GLU n 4 3 ALA n 4 4 ALA n 4 5 VAL n 4 6 THR n 4 7 GLN n 4 8 SER n 4 9 PRO n 4 10 ARG n 4 11 ASN n 4 12 LYS n 4 13 VAL n 4 14 ALA n 4 15 VAL n 4 16 THR n 4 17 GLY n 4 18 GLY n 4 19 LYS n 4 20 VAL n 4 21 THR n 4 22 LEU n 4 23 SER n 4 24 CYS n 4 25 ASN n 4 26 GLN n 4 27 THR n 4 28 ASN n 4 29 ASN n 4 30 HIS n 4 31 ASN n 4 32 ASN n 4 33 MET n 4 34 TYR n 4 35 TRP n 4 36 TYR n 4 37 ARG n 4 38 GLN n 4 39 ASP n 4 40 THR n 4 41 GLY n 4 42 HIS n 4 43 GLY n 4 44 LEU n 4 45 ARG n 4 46 LEU n 4 47 ILE n 4 48 HIS n 4 49 TYR n 4 50 SER n 4 51 TYR n 4 52 GLY n 4 53 ALA n 4 54 GLY n 4 55 SER n 4 56 THR n 4 57 GLU n 4 58 LYS n 4 59 GLY n 4 60 ASP n 4 61 ILE n 4 62 PRO n 4 63 ASP n 4 64 GLY n 4 65 TYR n 4 66 LYS n 4 67 ALA n 4 68 SER n 4 69 ARG n 4 70 PRO n 4 71 SER n 4 72 GLN n 4 73 GLU n 4 74 ASN n 4 75 PHE n 4 76 SER n 4 77 LEU n 4 78 ILE n 4 79 LEU n 4 80 GLU n 4 81 LEU n 4 82 ALA n 4 83 THR n 4 84 PRO n 4 85 SER n 4 86 GLN n 4 87 THR n 4 88 SER n 4 89 VAL n 4 90 TYR n 4 91 PHE n 4 92 CYS n 4 93 ALA n 4 94 SER n 4 95 GLY n 4 96 ASP n 4 97 GLU n 4 98 GLY n 4 99 TYR n 4 100 THR n 4 101 GLN n 4 102 TYR n 4 103 PHE n 4 104 GLY n 4 105 PRO n 4 106 GLY n 4 107 THR n 4 108 ARG n 4 109 LEU n 4 110 LEU n 4 111 VAL n 4 112 LEU n 4 113 GLU n 4 114 ASP n 4 115 LEU n 4 116 ARG n 4 117 ASN n 4 118 VAL n 4 119 THR n 4 120 PRO n 4 121 PRO n 4 122 LYS n 4 123 VAL n 4 124 SER n 4 125 LEU n 4 126 PHE n 4 127 GLU n 4 128 PRO n 4 129 SER n 4 130 LYS n 4 131 ALA n 4 132 GLU n 4 133 ILE n 4 134 SER n 4 135 HIS n 4 136 THR n 4 137 GLN n 4 138 LYS n 4 139 ALA n 4 140 THR n 4 141 LEU n 4 142 VAL n 4 143 CYS n 4 144 LEU n 4 145 ALA n 4 146 THR n 4 147 GLY n 4 148 PHE n 4 149 TYR n 4 150 PRO n 4 151 ASP n 4 152 HIS n 4 153 VAL n 4 154 GLU n 4 155 LEU n 4 156 SER n 4 157 TRP n 4 158 TRP n 4 159 VAL n 4 160 ASN n 4 161 GLY n 4 162 LYS n 4 163 GLU n 4 164 VAL n 4 165 HIS n 4 166 SER n 4 167 GLY n 4 168 VAL n 4 169 CYS n 4 170 THR n 4 171 ASP n 4 172 PRO n 4 173 GLN n 4 174 PRO n 4 175 LEU n 4 176 LYS n 4 177 GLU n 4 178 GLN n 4 179 PRO n 4 180 ALA n 4 181 LEU n 4 182 ASN n 4 183 ASP n 4 184 SER n 4 185 ARG n 4 186 TYR n 4 187 SER n 4 188 LEU n 4 189 SER n 4 190 SER n 4 191 ARG n 4 192 LEU n 4 193 ARG n 4 194 VAL n 4 195 SER n 4 196 ALA n 4 197 THR n 4 198 PHE n 4 199 TRP n 4 200 GLN n 4 201 ASN n 4 202 PRO n 4 203 ARG n 4 204 ASN n 4 205 HIS n 4 206 PHE n 4 207 ARG n 4 208 CYS n 4 209 GLN n 4 210 VAL n 4 211 GLN n 4 212 PHE n 4 213 TYR n 4 214 GLY n 4 215 LEU n 4 216 SER n 4 217 GLU n 4 218 ASN n 4 219 ASP n 4 220 GLU n 4 221 TRP n 4 222 THR n 4 223 GLN n 4 224 ASP n 4 225 ARG n 4 226 ALA n 4 227 LYS n 4 228 PRO n 4 229 VAL n 4 230 THR n 4 231 GLN n 4 232 ILE n 4 233 VAL n 4 234 SER n 4 235 ALA n 4 236 GLU n 4 237 ALA n 4 238 TRP n 4 239 GLY n 4 240 ARG n 4 241 ALA n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_gen.gene_src_common_name _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _entity_src_gen.gene_src_species _entity_src_gen.gene_src_strain _entity_src_gen.gene_src_tissue _entity_src_gen.gene_src_tissue_fraction _entity_src_gen.gene_src_details _entity_src_gen.pdbx_gene_src_fragment _entity_src_gen.pdbx_gene_src_scientific_name _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_gene_src_variant _entity_src_gen.pdbx_gene_src_cell_line _entity_src_gen.pdbx_gene_src_atcc _entity_src_gen.pdbx_gene_src_organ _entity_src_gen.pdbx_gene_src_organelle _entity_src_gen.pdbx_gene_src_cell _entity_src_gen.pdbx_gene_src_cellular_location _entity_src_gen.host_org_common_name _entity_src_gen.pdbx_host_org_scientific_name _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_gen.host_org_genus _entity_src_gen.pdbx_host_org_gene _entity_src_gen.pdbx_host_org_organ _entity_src_gen.host_org_species _entity_src_gen.pdbx_host_org_tissue _entity_src_gen.pdbx_host_org_tissue_fraction _entity_src_gen.pdbx_host_org_strain _entity_src_gen.pdbx_host_org_variant _entity_src_gen.pdbx_host_org_cell_line _entity_src_gen.pdbx_host_org_atcc _entity_src_gen.pdbx_host_org_culture_collection _entity_src_gen.pdbx_host_org_cell _entity_src_gen.pdbx_host_org_organelle _entity_src_gen.pdbx_host_org_cellular_location _entity_src_gen.pdbx_host_org_vector_type _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 1 1 sample ? ? ? mouse ? 'Cd1.1, CD1d, Cd1d1' ? ? ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? 'fall armyworm' 'Spodoptera frugiperda' 7108 ? ? ? ? ? ? ? ? Sf9 ? ? ? ? ? 'baculovirus transfer vector' ? ? ? pBACp10pH ? ? 2 1 sample ? ? ? mouse ? beta-2-microglobulin ? ? ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? 'fall armyworm' 'Spodoptera frugiperda' 7111 ? ? ? ? ? ? ? ? Sf9 ? ? ? ? ? 'baculovirus transfer vector' ? ? ? pBACp10pH ? ? 3 1 sample ? ? ? ? ? 'Valpha14 (mouse variable domain, human constant domain)' ? ? ? ? ? ? 'Mus musculus, Homo sapiens' '10090, 9606' ? ? ? ? ? ? ? ? 'Escherichia coli' 469008 ? ? ? ? ? ? 'BL21(DE3)' ? ? ? ? ? ? ? plasmid ? ? ? pET22b ? ? 4 1 sample ? ? ? ? ? 'Vbeta8.2 (mouse variable domain, human constant domain)' ? ? ? ? ? ? 'Mus musculus, Homo sapiens' '10090, 9606' ? ? ? ? ? ? ? ? 'Escherichia coli' 469008 ? ? ? ? ? ? BL21DE3 ? ? ? ? ? ? ? plasmid ? ? ? pET30a ? ? # _pdbx_entity_src_syn.entity_id 5 _pdbx_entity_src_syn.pdbx_src_id 1 _pdbx_entity_src_syn.pdbx_alt_source_flag sample _pdbx_entity_src_syn.pdbx_beg_seq_num ? _pdbx_entity_src_syn.pdbx_end_seq_num ? _pdbx_entity_src_syn.organism_scientific ? _pdbx_entity_src_syn.organism_common_name ? _pdbx_entity_src_syn.ncbi_taxonomy_id ? _pdbx_entity_src_syn.details glycosphingolipid # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin _struct_ref.pdbx_db_isoform 1 UNP CD1D1_MOUSE P11609 1 ;SEAQQKNYTFRCLQMSSFANRSWSRTDSVVWLGDLQTHRWSNDSATISFTKPWSQGKLSNQQWEKLQHMFQVYRVSFTRD IQELVKMMSPKEDYPIEIQLSAGCEMYPGNASESFLHVAFQGKYVVRFWGTSWQTVPGAPSWLDLPIKVLNADQGTSATV QMLLNDTCPLFVRGLLEAGKSDLEKQEKPVAWLSSVPSSADGHRQLVCHVSGFYPKPVWVMWMRGDQEQQGTHRGDFLPN ADETWYLQATLDVEAGEEAGLACRVKHSSLGGQDIILYW ; 19 ? 2 UNP B2MG_MOUSE P01887 2 ;IQKTPQIQVYSRHPPENGKPNILNCYVTQFHPPHIEIQMLKNGKKIPKVEMSDMSFSKDWSFYILAHTEFTPTETDTYAC RVKHDSMAEPKTVYWDRDM ; 21 ? 3 PDB 3TVM 3TVM 3 ;MKTQVEQSPQSLVVRQGENCVLQCNYSVTPDNHLRWFKQDTGKGLVSLTVLVDQKDKTSNGRYSATLDKDAKHSTLHITA TLLDDTATYICVVGDRGSALGRLHFGAGTQLIVIPDIQNPDPAVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYIT DKCVLDMRSMDFKSNSAVAWSNKSDFACANAFNNSIIPEDTFFPSPESS ; ? ? 4 PDB 3TVM 3TVM 4 ;MEAAVTQSPRNKVAVTGGKVTLSCNQTNNHNNMYWYRQDTGHGLRLIHYSYGAGSTEKGDIPDGYKASRPSQENFSLILE LATPSQTSVYFCASGDEGYTQYFGPGTRLLVLEDLRNVTPPKVSLFEPSKAEISHTQKATLVCLATGFYPDHVELSWWVN GKEVHSGVCTDPQPLKEQPALNDSRYSLSSRLRVSATFWQNPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAWGR A ; ? ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 3TVM A 1 ? 279 ? P11609 19 ? 297 ? 1 279 2 2 3TVM B 1 ? 99 ? P01887 21 ? 119 ? 1 99 3 1 3TVM E 1 ? 279 ? P11609 19 ? 297 ? 1 279 4 2 3TVM F 1 ? 99 ? P01887 21 ? 119 ? 1 99 5 3 3TVM C 1 ? 209 ? 3TVM -1 ? 210 ? -1 210 6 3 3TVM G 1 ? 209 ? 3TVM -1 ? 210 ? -1 210 7 4 3TVM D 1 ? 241 ? 3TVM 0 ? 240 ? 0 240 8 4 3TVM H 1 ? 241 ? 3TVM 0 ? 240 ? 0 240 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 3TVM HIS A 201 ? UNP P11609 ASP 219 VARIANT 201 1 1 3TVM HIS A 280 ? UNP P11609 ? ? 'EXPRESSION TAG' 280 2 1 3TVM HIS A 281 ? UNP P11609 ? ? 'EXPRESSION TAG' 281 3 1 3TVM HIS A 282 ? UNP P11609 ? ? 'EXPRESSION TAG' 282 4 1 3TVM HIS A 283 ? UNP P11609 ? ? 'EXPRESSION TAG' 283 5 1 3TVM HIS A 284 ? UNP P11609 ? ? 'EXPRESSION TAG' 284 6 1 3TVM HIS A 285 ? UNP P11609 ? ? 'EXPRESSION TAG' 285 7 2 3TVM ALA B 85 ? UNP P01887 ASP 105 VARIANT 85 8 3 3TVM HIS E 201 ? UNP P11609 ASP 219 VARIANT 201 9 3 3TVM HIS E 280 ? UNP P11609 ? ? 'EXPRESSION TAG' 280 10 3 3TVM HIS E 281 ? UNP P11609 ? ? 'EXPRESSION TAG' 281 11 3 3TVM HIS E 282 ? UNP P11609 ? ? 'EXPRESSION TAG' 282 12 3 3TVM HIS E 283 ? UNP P11609 ? ? 'EXPRESSION TAG' 283 13 3 3TVM HIS E 284 ? UNP P11609 ? ? 'EXPRESSION TAG' 284 14 3 3TVM HIS E 285 ? UNP P11609 ? ? 'EXPRESSION TAG' 285 15 4 3TVM ALA F 85 ? UNP P01887 ASP 105 VARIANT 85 16 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight 07P non-polymer . 'N-[(2S,3R)-10-[(1R,2R)-2-decylcyclopropyl]-1-(alpha-D-galactopyranosyloxy)-3-hydroxydecan-2-yl]hexacosanamide' SMC124 'C55 H107 N O8' 910.440 ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CL non-polymer . 'CHLORIDE ION' ? 'Cl -1' 35.453 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FUC saccharide . ALPHA-L-FUCOSE ? 'C6 H12 O5' 164.156 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' 92.094 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 3TVM _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 3.19 _exptl_crystal.density_percent_sol 61.46 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.temp 295 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 5.6 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details '100mM trisodium citrate pH5.6, 10% PEG3350, 2% tacsimate pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K' # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'MARMOSAIC 325 mm CCD' _diffrn_detector.pdbx_collection_date 2009-12-14 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'double crystal monochromator' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.9795 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'SSRL BEAMLINE BL9-2' _diffrn_source.pdbx_synchrotron_site SSRL _diffrn_source.pdbx_synchrotron_beamline BL9-2 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.9795 # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 3TVM _reflns.observed_criterion_sigma_I 0 _reflns.observed_criterion_sigma_F 0 _reflns.d_resolution_low 75.29 _reflns.d_resolution_high 2.8 _reflns.number_obs 58305 _reflns.number_all 58305 _reflns.percent_possible_obs 100 _reflns.pdbx_Rmerge_I_obs 0.094 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 10.9 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 3.6 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 2.80 _reflns_shell.d_res_low 2.95 _reflns_shell.percent_possible_all 100 _reflns_shell.Rmerge_I_obs 0.577 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 2.4 _reflns_shell.pdbx_redundancy 3.6 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 3TVM _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 55304 _refine.ls_number_reflns_all 58305 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F . _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 75.29 _refine.ls_d_res_high 2.80 _refine.ls_percent_reflns_obs 99.93 _refine.ls_R_factor_obs 0.22647 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.22404 _refine.ls_R_factor_R_free 0.27272 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.1 _refine.ls_number_reflns_R_free 2948 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.910 _refine.correlation_coeff_Fo_to_Fc_free 0.866 _refine.B_iso_mean 52.280 _refine.aniso_B[1][1] -0.49 _refine.aniso_B[2][2] -0.21 _refine.aniso_B[3][3] 1.11 _refine.aniso_B[1][2] -0.00 _refine.aniso_B[1][3] 1.82 _refine.aniso_B[2][3] -0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.40 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model '2Q7Y for CD1d, 3HE6 for TCR' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.895 _refine.pdbx_overall_ESU_R_Free 0.366 _refine.overall_SU_ML 0.295 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 33.138 _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 11890 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 295 _refine_hist.number_atoms_solvent 60 _refine_hist.number_atoms_total 12245 _refine_hist.d_res_high 2.80 _refine_hist.d_res_low 75.29 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.006 0.021 ? 12549 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 0.921 1.951 ? 17132 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 4.922 5.000 ? 1543 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 34.412 24.045 ? 539 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 14.225 15.000 ? 1781 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 11.342 15.000 ? 58 'X-RAY DIFFRACTION' ? r_chiral_restr 0.058 0.200 ? 1918 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.003 0.021 ? 9570 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 0.109 1.500 ? 7768 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 0.233 2.000 ? 12463 'X-RAY DIFFRACTION' ? r_scbond_it 0.416 3.000 ? 4781 'X-RAY DIFFRACTION' ? r_scangle_it 0.712 4.500 ? 4663 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # loop_ _refine_ls_restr_ncs.pdbx_refine_id _refine_ls_restr_ncs.pdbx_ens_id _refine_ls_restr_ncs.dom_id _refine_ls_restr_ncs.pdbx_type _refine_ls_restr_ncs.pdbx_auth_asym_id _refine_ls_restr_ncs.pdbx_number _refine_ls_restr_ncs.rms_dev_position _refine_ls_restr_ncs.weight_position _refine_ls_restr_ncs.pdbx_ordinal _refine_ls_restr_ncs.ncs_model_details _refine_ls_restr_ncs.rms_dev_B_iso _refine_ls_restr_ncs.weight_B_iso 'X-RAY DIFFRACTION' 1 1 'LOOSE POSITIONAL' B 740 0.320 5.000 1 ? ? ? 'X-RAY DIFFRACTION' 1 1 'LOOSE THERMAL' B 740 0.620 10.000 2 ? ? ? 'X-RAY DIFFRACTION' 2 1 'LOOSE POSITIONAL' G 1468 0.490 5.000 3 ? ? ? 'X-RAY DIFFRACTION' 2 1 'LOOSE THERMAL' G 1468 0.360 10.000 4 ? ? ? 'X-RAY DIFFRACTION' 3 1 'LOOSE POSITIONAL' H 1832 0.280 5.000 5 ? ? ? 'X-RAY DIFFRACTION' 3 1 'LOOSE THERMAL' H 1832 0.370 10.000 6 ? ? ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.800 _refine_ls_shell.d_res_low 2.873 _refine_ls_shell.number_reflns_R_work 4064 _refine_ls_shell.R_factor_R_work 0.343 _refine_ls_shell.percent_reflns_obs 99.98 _refine_ls_shell.R_factor_R_free 0.385 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 216 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.number_reflns_obs ? # _pdbx_refine.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine.entry_id 3TVM _pdbx_refine.R_factor_all_no_cutoff ? _pdbx_refine.R_factor_obs_no_cutoff ? _pdbx_refine.free_R_factor_no_cutoff ? _pdbx_refine.free_R_error_no_cutoff ? _pdbx_refine.free_R_val_test_set_size_perc_no_cutoff ? _pdbx_refine.free_R_val_test_set_ct_no_cutoff ? _pdbx_refine.R_factor_all_4sig_cutoff ? _pdbx_refine.R_factor_obs_4sig_cutoff ? _pdbx_refine.free_R_factor_4sig_cutoff ? _pdbx_refine.free_R_val_test_set_size_perc_4sig_cutoff ? _pdbx_refine.free_R_val_test_set_ct_4sig_cutoff ? _pdbx_refine.number_reflns_obs_4sig_cutoff ? # loop_ _struct_ncs_dom.pdbx_ens_id _struct_ncs_dom.id _struct_ncs_dom.details 1 1 B 1 2 D 2 1 G 2 2 E 3 1 H 3 2 F # loop_ _struct_ncs_dom_lim.dom_id _struct_ncs_dom_lim.beg_auth_asym_id _struct_ncs_dom_lim.beg_auth_seq_id _struct_ncs_dom_lim.end_auth_asym_id _struct_ncs_dom_lim.end_auth_seq_id _struct_ncs_dom_lim.pdbx_component_id _struct_ncs_dom_lim.pdbx_refine_code _struct_ncs_dom_lim.beg_label_asym_id _struct_ncs_dom_lim.beg_label_comp_id _struct_ncs_dom_lim.beg_label_seq_id _struct_ncs_dom_lim.beg_label_alt_id _struct_ncs_dom_lim.end_label_asym_id _struct_ncs_dom_lim.end_label_comp_id _struct_ncs_dom_lim.end_label_seq_id _struct_ncs_dom_lim.end_label_alt_id _struct_ncs_dom_lim.pdbx_ens_id _struct_ncs_dom_lim.selection_details 1 B 1 B 99 1 6 ? ? ? ? ? ? ? ? 1 ? 2 D 1 D 99 1 6 ? ? ? ? ? ? ? ? 1 ? 1 G 1 G 210 1 6 ? ? ? ? ? ? ? ? 2 ? 2 E 1 E 210 1 6 ? ? ? ? ? ? ? ? 2 ? 1 H 1 H 245 1 6 ? ? ? ? ? ? ? ? 3 ? 2 F 1 F 245 1 6 ? ? ? ? ? ? ? ? 3 ? # loop_ _struct_ncs_ens.id _struct_ncs_ens.details 1 ? 2 ? 3 ? # _struct.entry_id 3TVM _struct.title 'Structure of the mouse CD1d-SMC124-iNKT TCR complex' _struct.pdbx_descriptor ;Antigen-presenting glycoprotein CD1d1, beta-2-microglobulin, Valpha14 (mouse variable domain, human constant domain), Vbeta8.2 (mouse variable domain, human constant domain) ; _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3TVM _struct_keywords.pdbx_keywords 'IMMUNE SYSTEM' _struct_keywords.text 'antigen presentation, glycolipid, NKT cells, IMMUNE SYSTEM' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? E N N 1 ? F N N 2 ? G N N 3 ? H N N 4 ? I N N 5 ? J N N 5 ? K N N 5 ? L N N 5 ? M N N 5 ? N N N 6 ? O N N 7 ? P N N 8 ? Q N N 5 ? R N N 5 ? S N N 5 ? T N N 5 ? U N N 5 ? V N N 6 ? W N N 7 ? X N N 9 ? Y N N 10 ? Z N N 10 ? AA N N 10 ? BA N N 10 ? CA N N 10 ? DA N N 10 ? EA N N 10 ? FA N N 10 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 SER A 59 ? SER A 89 ? SER A 59 SER A 89 1 ? 31 HELX_P HELX_P2 2 PRO A 140 ? TRP A 142 ? PRO A 140 TRP A 142 5 ? 3 HELX_P HELX_P3 3 LEU A 143 ? ALA A 152 ? LEU A 143 ALA A 152 1 ? 10 HELX_P HELX_P4 4 ASP A 153 ? ASP A 166 ? ASP A 153 ASP A 166 1 ? 14 HELX_P HELX_P5 5 ASP A 166 ? GLY A 179 ? ASP A 166 GLY A 179 1 ? 14 HELX_P HELX_P6 6 GLY A 179 ? GLU A 184 ? GLY A 179 GLU A 184 1 ? 6 HELX_P HELX_P7 7 HIS A 267 ? GLY A 271 ? HIS A 267 GLY A 271 5 ? 5 HELX_P HELX_P8 8 LEU C 82 ? THR C 86 ? LEU C 81 THR C 85 5 ? 5 HELX_P HELX_P9 9 ALA C 187 ? ALA C 191 ? ALA C 188 ALA C 192 5 ? 5 HELX_P HELX_P10 10 THR D 83 ? THR D 87 ? THR D 82 THR D 86 5 ? 5 HELX_P HELX_P11 11 SER D 129 ? GLN D 137 ? SER D 128 GLN D 136 1 ? 9 HELX_P HELX_P12 12 ALA D 196 ? GLN D 200 ? ALA D 195 GLN D 199 1 ? 5 HELX_P HELX_P13 13 SER E 59 ? SER E 89 ? SER E 59 SER E 89 1 ? 31 HELX_P HELX_P14 14 PRO E 140 ? TRP E 142 ? PRO E 140 TRP E 142 5 ? 3 HELX_P HELX_P15 15 LEU E 143 ? ALA E 152 ? LEU E 143 ALA E 152 1 ? 10 HELX_P HELX_P16 16 ASP E 153 ? ASP E 166 ? ASP E 153 ASP E 166 1 ? 14 HELX_P HELX_P17 17 CYS E 168 ? GLY E 179 ? CYS E 168 GLY E 179 1 ? 12 HELX_P HELX_P18 18 GLY E 179 ? GLU E 184 ? GLY E 179 GLU E 184 1 ? 6 HELX_P HELX_P19 19 LEU G 82 ? THR G 86 ? LEU G 81 THR G 85 5 ? 5 HELX_P HELX_P20 20 ARG G 168 ? ASP G 171 ? ARG G 169 ASP G 172 5 ? 4 HELX_P HELX_P21 21 THR H 83 ? THR H 87 ? THR H 82 THR H 86 5 ? 5 HELX_P HELX_P22 22 SER H 129 ? GLN H 137 ? SER H 128 GLN H 136 1 ? 9 HELX_P HELX_P23 23 ALA H 196 ? ASN H 201 ? ALA H 195 ASN H 200 1 ? 6 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 208 SG ? ? ? 1_555 A CYS 263 SG ? ? A CYS 208 A CYS 263 1_555 ? ? ? ? ? ? ? 2.033 ? disulf2 disulf ? ? B CYS 25 SG ? ? ? 1_555 B CYS 80 SG ? ? B CYS 25 B CYS 80 1_555 ? ? ? ? ? ? ? 2.028 ? disulf3 disulf ? ? C CYS 24 SG ? ? ? 1_555 C CYS 91 SG ? ? C CYS 22 C CYS 90 1_555 ? ? ? ? ? ? ? 2.046 ? disulf4 disulf ? ? C CYS 138 SG ? ? ? 1_555 C CYS 188 SG ? ? C CYS 139 C CYS 189 1_555 ? ? ? ? ? ? ? 2.049 ? disulf5 disulf ? ? C CYS 163 SG ? ? ? 1_555 D CYS 169 SG ? ? C CYS 164 D CYS 168 1_555 ? ? ? ? ? ? ? 2.042 ? disulf6 disulf ? ? D CYS 24 SG ? ? ? 1_555 D CYS 92 SG ? ? D CYS 23 D CYS 91 1_555 ? ? ? ? ? ? ? 2.029 ? disulf7 disulf ? ? D CYS 143 SG ? ? ? 1_555 D CYS 208 SG ? ? D CYS 142 D CYS 207 1_555 ? ? ? ? ? ? ? 2.022 ? disulf8 disulf ? ? E CYS 104 SG ? ? ? 1_555 E CYS 168 SG ? ? E CYS 104 E CYS 168 1_555 ? ? ? ? ? ? ? 2.043 ? disulf9 disulf ? ? F CYS 25 SG ? ? ? 1_555 F CYS 80 SG ? ? F CYS 25 F CYS 80 1_555 ? ? ? ? ? ? ? 2.031 ? disulf10 disulf ? ? G CYS 24 SG ? ? ? 1_555 G CYS 91 SG ? ? G CYS 22 G CYS 90 1_555 ? ? ? ? ? ? ? 2.044 ? disulf11 disulf ? ? G CYS 138 SG ? ? ? 1_555 G CYS 188 SG ? ? G CYS 139 G CYS 189 1_555 ? ? ? ? ? ? ? 2.045 ? disulf12 disulf ? ? G CYS 163 SG ? ? ? 1_555 H CYS 169 SG ? ? G CYS 164 H CYS 168 1_555 ? ? ? ? ? ? ? 2.044 ? disulf13 disulf ? ? H CYS 24 SG ? ? ? 1_555 H CYS 92 SG ? ? H CYS 23 H CYS 91 1_555 ? ? ? ? ? ? ? 2.033 ? disulf14 disulf ? ? H CYS 143 SG ? ? ? 1_555 H CYS 208 SG ? ? H CYS 142 H CYS 207 1_555 ? ? ? ? ? ? ? 2.031 ? covale1 covale ? ? E ASN 42 ND2 ? ? ? 1_555 R NAG . C1 ? ? E ASN 42 E NAG 515 1_555 ? ? ? ? ? ? ? 1.438 ? covale2 covale ? ? E ASN 165 ND2 ? ? ? 1_555 T NAG . C1 ? ? E ASN 165 E NAG 517 1_555 ? ? ? ? ? ? ? 1.439 ? covale3 covale ? ? A ASN 42 ND2 ? ? ? 1_555 J NAG . C1 ? ? A ASN 42 A NAG 509 1_555 ? ? ? ? ? ? ? 1.439 ? covale4 covale ? ? A ASN 165 ND2 ? ? ? 1_555 L NAG . C1 ? ? A ASN 165 A NAG 511 1_555 ? ? ? ? ? ? ? 1.440 ? covale5 covale ? ? J NAG . O4 ? ? ? 1_555 K NAG . C1 ? ? A NAG 509 A NAG 510 1_555 ? ? ? ? ? ? ? 1.443 ? covale6 covale ? ? L NAG . O4 ? ? ? 1_555 M NAG . C1 ? ? A NAG 511 A NAG 512 1_555 ? ? ? ? ? ? ? 1.443 ? covale7 covale ? ? E ASN 20 ND2 ? ? ? 1_555 Q NAG . C1 ? ? E ASN 20 E NAG 514 1_555 ? ? ? ? ? ? ? 1.444 ? covale8 covale ? ? A ASN 20 ND2 ? ? ? 1_555 I NAG . C1 ? ? A ASN 20 A NAG 508 1_555 ? ? ? ? ? ? ? 1.444 ? covale9 covale ? ? T NAG . O4 ? ? ? 1_555 U NAG . C1 ? ? E NAG 517 E NAG 518 1_555 ? ? ? ? ? ? ? 1.444 ? covale10 covale ? ? T NAG . O6 ? ? ? 1_555 V FUC . C1 ? ? E NAG 517 E FUC 519 1_555 ? ? ? ? ? ? ? 1.446 ? covale11 covale ? ? R NAG . O4 ? ? ? 1_555 S NAG . C1 ? ? E NAG 515 E NAG 516 1_555 ? ? ? ? ? ? ? 1.449 ? covale12 covale ? ? L NAG . O6 ? ? ? 1_555 N FUC . C1 ? ? A NAG 511 A FUC 513 1_555 ? ? ? ? ? ? ? 1.451 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 SER 89 A . ? SER 89 A PRO 90 A ? PRO 90 A 1 3.88 2 TYR 94 A . ? TYR 94 A PRO 95 A ? PRO 95 A 1 2.07 3 TYR 214 A . ? TYR 214 A PRO 215 A ? PRO 215 A 1 3.78 4 HIS 31 B . ? HIS 31 B PRO 32 B ? PRO 32 B 1 2.80 5 SER 8 C . ? SER 6 C PRO 9 C ? PRO 7 C 1 -8.50 6 THR 29 C . ? THR 27 C PRO 30 C ? PRO 28 C 1 -6.20 7 SER 8 D . ? SER 7 D PRO 9 D ? PRO 8 D 1 -2.80 8 TYR 149 D . ? TYR 148 D PRO 150 D ? PRO 149 D 1 -2.13 9 SER 89 E . ? SER 89 E PRO 90 E ? PRO 90 E 1 2.64 10 TYR 94 E . ? TYR 94 E PRO 95 E ? PRO 95 E 1 -0.45 11 TYR 214 E . ? TYR 214 E PRO 215 E ? PRO 215 E 1 0.16 12 HIS 31 F . ? HIS 31 F PRO 32 F ? PRO 32 F 1 1.53 13 SER 8 G . ? SER 6 G PRO 9 G ? PRO 7 G 1 -4.97 14 THR 29 G . ? THR 27 G PRO 30 G ? PRO 28 G 1 -5.13 15 SER 8 H . ? SER 7 H PRO 9 H ? PRO 8 H 1 -7.68 16 TYR 149 H . ? TYR 148 H PRO 150 H ? PRO 149 H 1 -4.65 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 8 ? B ? 4 ? C ? 4 ? D ? 4 ? E ? 4 ? F ? 4 ? G ? 4 ? H ? 5 ? I ? 5 ? J ? 4 ? K ? 8 ? L ? 8 ? M ? 4 ? N ? 6 ? O ? 4 ? P ? 4 ? Q ? 8 ? R ? 3 ? S ? 4 ? T ? 4 ? U ? 4 ? V ? 5 ? W ? 5 ? X ? 4 ? Y ? 4 ? Z ? 4 ? AA ? 4 ? AB ? 6 ? AC ? 4 ? AD ? 4 ? AE ? 4 ? AF ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel A 5 6 ? anti-parallel A 6 7 ? anti-parallel A 7 8 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel D 3 4 ? anti-parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel E 3 4 ? anti-parallel F 1 2 ? anti-parallel F 2 3 ? anti-parallel F 3 4 ? anti-parallel G 1 2 ? anti-parallel G 2 3 ? anti-parallel G 3 4 ? anti-parallel H 1 2 ? anti-parallel H 2 3 ? anti-parallel H 3 4 ? anti-parallel H 4 5 ? anti-parallel I 1 2 ? parallel I 2 3 ? anti-parallel I 3 4 ? anti-parallel I 4 5 ? anti-parallel J 1 2 ? parallel J 2 3 ? anti-parallel J 3 4 ? anti-parallel K 1 2 ? anti-parallel K 2 3 ? anti-parallel K 3 4 ? anti-parallel K 4 5 ? anti-parallel K 5 6 ? anti-parallel K 6 7 ? anti-parallel K 7 8 ? anti-parallel L 1 2 ? anti-parallel L 2 3 ? anti-parallel L 3 4 ? anti-parallel L 4 5 ? anti-parallel L 5 6 ? anti-parallel L 6 7 ? anti-parallel L 7 8 ? anti-parallel M 1 2 ? anti-parallel M 2 3 ? anti-parallel M 3 4 ? anti-parallel N 1 2 ? parallel N 2 3 ? anti-parallel N 3 4 ? anti-parallel N 4 5 ? anti-parallel N 5 6 ? anti-parallel O 1 2 ? parallel O 2 3 ? anti-parallel O 3 4 ? anti-parallel P 1 2 ? anti-parallel P 2 3 ? anti-parallel P 3 4 ? anti-parallel Q 1 2 ? anti-parallel Q 2 3 ? anti-parallel Q 3 4 ? anti-parallel Q 4 5 ? anti-parallel Q 5 6 ? anti-parallel Q 6 7 ? anti-parallel Q 7 8 ? anti-parallel R 1 2 ? anti-parallel R 2 3 ? anti-parallel S 1 2 ? anti-parallel S 2 3 ? anti-parallel S 3 4 ? anti-parallel T 1 2 ? anti-parallel T 2 3 ? anti-parallel T 3 4 ? anti-parallel U 1 2 ? anti-parallel U 2 3 ? anti-parallel U 3 4 ? anti-parallel V 1 2 ? anti-parallel V 2 3 ? anti-parallel V 3 4 ? anti-parallel V 4 5 ? anti-parallel W 1 2 ? parallel W 2 3 ? anti-parallel W 3 4 ? anti-parallel W 4 5 ? anti-parallel X 1 2 ? parallel X 2 3 ? anti-parallel X 3 4 ? anti-parallel Y 1 2 ? anti-parallel Y 2 3 ? anti-parallel Y 3 4 ? anti-parallel Z 1 2 ? anti-parallel Z 2 3 ? anti-parallel Z 3 4 ? anti-parallel AA 1 2 ? anti-parallel AA 2 3 ? anti-parallel AA 3 4 ? anti-parallel AB 1 2 ? parallel AB 2 3 ? anti-parallel AB 3 4 ? anti-parallel AB 4 5 ? anti-parallel AB 5 6 ? anti-parallel AC 1 2 ? parallel AC 2 3 ? anti-parallel AC 3 4 ? anti-parallel AD 1 2 ? anti-parallel AD 2 3 ? anti-parallel AD 3 4 ? anti-parallel AE 1 2 ? anti-parallel AE 2 3 ? anti-parallel AE 3 4 ? anti-parallel AF 1 2 ? anti-parallel AF 2 3 ? anti-parallel AF 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 SER A 48 ? PHE A 49 ? SER A 48 PHE A 49 A 2 LEU A 35 ? TRP A 40 ? LEU A 35 TRP A 40 A 3 SER A 24 ? LEU A 32 ? SER A 24 LEU A 32 A 4 THR A 9 ? PHE A 18 ? THR A 9 PHE A 18 A 5 ILE A 96 ? TYR A 107 ? ILE A 96 TYR A 107 A 6 ALA A 111 ? PHE A 120 ? ALA A 111 PHE A 120 A 7 LYS A 123 ? TRP A 129 ? LYS A 123 TRP A 129 A 8 SER A 132 ? THR A 135 ? SER A 132 THR A 135 B 1 VAL A 190 ? VAL A 196 ? VAL A 190 VAL A 196 B 2 GLN A 205 ? PHE A 213 ? GLN A 205 PHE A 213 B 3 TRP A 245 ? LEU A 251 ? TRP A 245 LEU A 251 B 4 THR A 232 ? ARG A 234 ? THR A 232 ARG A 234 C 1 VAL A 190 ? VAL A 196 ? VAL A 190 VAL A 196 C 2 GLN A 205 ? PHE A 213 ? GLN A 205 PHE A 213 C 3 TRP A 245 ? LEU A 251 ? TRP A 245 LEU A 251 C 4 LEU A 238 ? PRO A 239 ? LEU A 238 PRO A 239 D 1 GLN A 227 ? GLU A 228 ? GLN A 227 GLU A 228 D 2 TRP A 219 ? ARG A 224 ? TRP A 219 ARG A 224 D 3 LEU A 261 ? LYS A 266 ? LEU A 261 LYS A 266 D 4 ILE A 275 ? TYR A 278 ? ILE A 275 TYR A 278 E 1 GLN B 6 ? SER B 11 ? GLN B 6 SER B 11 E 2 ASN B 21 ? PHE B 30 ? ASN B 21 PHE B 30 E 3 PHE B 62 ? PHE B 70 ? PHE B 62 PHE B 70 E 4 GLU B 50 ? MET B 51 ? GLU B 50 MET B 51 F 1 GLN B 6 ? SER B 11 ? GLN B 6 SER B 11 F 2 ASN B 21 ? PHE B 30 ? ASN B 21 PHE B 30 F 3 PHE B 62 ? PHE B 70 ? PHE B 62 PHE B 70 F 4 SER B 55 ? PHE B 56 ? SER B 55 PHE B 56 G 1 LYS B 44 ? LYS B 45 ? LYS B 44 LYS B 45 G 2 ILE B 35 ? LYS B 41 ? ILE B 35 LYS B 41 G 3 TYR B 78 ? HIS B 84 ? TYR B 78 HIS B 84 G 4 LYS B 91 ? TYR B 94 ? LYS B 91 TYR B 94 H 1 VAL C 5 ? SER C 8 ? VAL C 3 SER C 6 H 2 CYS C 20 ? TYR C 26 ? CYS C 18 TYR C 24 H 3 HIS C 73 ? ILE C 78 ? HIS C 72 ILE C 77 H 4 TYR C 63 ? ASP C 68 ? TYR C 62 ASP C 67 H 5 LYS C 55 ? ASN C 60 ? LYS C 53 ASN C 58 I 1 SER C 11 ? ARG C 15 ? SER C 9 ARG C 13 I 2 THR C 109 ? ILE C 114 ? THR C 110 ILE C 115 I 3 ALA C 87 ? GLY C 94 ? ALA C 86 GLY C 93 I 4 HIS C 33 ? GLN C 39 ? HIS C 31 GLN C 37 I 5 VAL C 46 ? LEU C 51 ? VAL C 44 LEU C 49 J 1 SER C 11 ? ARG C 15 ? SER C 9 ARG C 13 J 2 THR C 109 ? ILE C 114 ? THR C 110 ILE C 115 J 3 ALA C 87 ? GLY C 94 ? ALA C 86 GLY C 93 J 4 LEU C 103 ? PHE C 105 ? LEU C 104 PHE C 106 K 1 VAL C 157 ? ILE C 159 ? VAL C 158 ILE C 160 K 2 LYS C 173 ? SER C 181 ? LYS C 174 SER C 182 K 3 SER C 136 ? THR C 141 ? SER C 137 THR C 142 K 4 ALA C 123 ? ASP C 129 ? ALA C 124 ASP C 130 K 5 LYS D 122 ? GLU D 127 ? LYS D 121 GLU D 126 K 6 LYS D 138 ? PHE D 148 ? LYS D 137 PHE D 147 K 7 TYR D 186 ? SER D 195 ? TYR D 185 SER D 194 K 8 VAL D 168 ? THR D 170 ? VAL D 167 THR D 169 L 1 CYS C 163 ? ASP C 166 ? CYS C 164 ASP C 167 L 2 LYS C 173 ? SER C 181 ? LYS C 174 SER C 182 L 3 SER C 136 ? THR C 141 ? SER C 137 THR C 142 L 4 ALA C 123 ? ASP C 129 ? ALA C 124 ASP C 130 L 5 LYS D 122 ? GLU D 127 ? LYS D 121 GLU D 126 L 6 LYS D 138 ? PHE D 148 ? LYS D 137 PHE D 147 L 7 TYR D 186 ? SER D 195 ? TYR D 185 SER D 194 L 8 LEU D 175 ? LYS D 176 ? LEU D 174 LYS D 175 M 1 VAL D 5 ? SER D 8 ? VAL D 4 SER D 7 M 2 VAL D 20 ? GLN D 26 ? VAL D 19 GLN D 25 M 3 ASN D 74 ? LEU D 79 ? ASN D 73 LEU D 78 M 4 LYS D 66 ? SER D 68 ? LYS D 65 SER D 67 N 1 ASN D 11 ? VAL D 15 ? ASN D 10 VAL D 14 N 2 THR D 107 ? LEU D 112 ? THR D 106 LEU D 111 N 3 SER D 88 ? GLY D 95 ? SER D 87 GLY D 94 N 4 ASN D 32 ? GLN D 38 ? ASN D 31 GLN D 37 N 5 ARG D 45 ? GLY D 52 ? ARG D 44 GLY D 51 N 6 SER D 55 ? LYS D 58 ? SER D 54 LYS D 57 O 1 ASN D 11 ? VAL D 15 ? ASN D 10 VAL D 14 O 2 THR D 107 ? LEU D 112 ? THR D 106 LEU D 111 O 3 SER D 88 ? GLY D 95 ? SER D 87 GLY D 94 O 4 TYR D 102 ? PHE D 103 ? TYR D 101 PHE D 102 P 1 LYS D 162 ? VAL D 164 ? LYS D 161 VAL D 163 P 2 VAL D 153 ? VAL D 159 ? VAL D 152 VAL D 158 P 3 HIS D 205 ? PHE D 212 ? HIS D 204 PHE D 211 P 4 GLN D 231 ? TRP D 238 ? GLN D 230 TRP D 237 Q 1 SER E 48 ? PHE E 49 ? SER E 48 PHE E 49 Q 2 LEU E 35 ? TRP E 40 ? LEU E 35 TRP E 40 Q 3 SER E 24 ? LEU E 32 ? SER E 24 LEU E 32 Q 4 PHE E 10 ? PHE E 18 ? PHE E 10 PHE E 18 Q 5 ILE E 96 ? GLU E 105 ? ILE E 96 GLU E 105 Q 6 GLU E 113 ? PHE E 120 ? GLU E 113 PHE E 120 Q 7 LYS E 123 ? TRP E 129 ? LYS E 123 TRP E 129 Q 8 SER E 132 ? THR E 135 ? SER E 132 THR E 135 R 1 LEU E 193 ? SER E 194 ? LEU E 193 SER E 194 R 2 VAL E 207 ? SER E 211 ? VAL E 207 SER E 211 R 3 TYR E 246 ? GLN E 248 ? TYR E 246 GLN E 248 S 1 GLN F 6 ? SER F 11 ? GLN F 6 SER F 11 S 2 ASN F 21 ? PHE F 30 ? ASN F 21 PHE F 30 S 3 PHE F 62 ? PHE F 70 ? PHE F 62 PHE F 70 S 4 GLU F 50 ? MET F 51 ? GLU F 50 MET F 51 T 1 GLN F 6 ? SER F 11 ? GLN F 6 SER F 11 T 2 ASN F 21 ? PHE F 30 ? ASN F 21 PHE F 30 T 3 PHE F 62 ? PHE F 70 ? PHE F 62 PHE F 70 T 4 SER F 55 ? PHE F 56 ? SER F 55 PHE F 56 U 1 LYS F 44 ? LYS F 45 ? LYS F 44 LYS F 45 U 2 GLU F 36 ? LYS F 41 ? GLU F 36 LYS F 41 U 3 TYR F 78 ? LYS F 83 ? TYR F 78 LYS F 83 U 4 LYS F 91 ? TYR F 94 ? LYS F 91 TYR F 94 V 1 VAL G 5 ? SER G 8 ? VAL G 3 SER G 6 V 2 CYS G 20 ? TYR G 26 ? CYS G 18 TYR G 24 V 3 HIS G 73 ? ILE G 78 ? HIS G 72 ILE G 77 V 4 TYR G 63 ? ASP G 68 ? TYR G 62 ASP G 67 V 5 LYS G 55 ? ASN G 60 ? LYS G 53 ASN G 58 W 1 SER G 11 ? ARG G 15 ? SER G 9 ARG G 13 W 2 THR G 109 ? ILE G 114 ? THR G 110 ILE G 115 W 3 ALA G 87 ? GLY G 94 ? ALA G 86 GLY G 93 W 4 HIS G 33 ? GLN G 39 ? HIS G 31 GLN G 37 W 5 LEU G 45 ? LEU G 51 ? LEU G 43 LEU G 49 X 1 SER G 11 ? ARG G 15 ? SER G 9 ARG G 13 X 2 THR G 109 ? ILE G 114 ? THR G 110 ILE G 115 X 3 ALA G 87 ? GLY G 94 ? ALA G 86 GLY G 93 X 4 LEU G 103 ? PHE G 105 ? LEU G 104 PHE G 106 Y 1 ALA G 123 ? ARG G 128 ? ALA G 124 ARG G 129 Y 2 SER G 136 ? THR G 141 ? SER G 137 THR G 142 Y 3 PHE G 172 ? SER G 181 ? PHE G 173 SER G 182 Y 4 VAL G 157 ? ILE G 159 ? VAL G 158 ILE G 160 Z 1 ALA G 123 ? ARG G 128 ? ALA G 124 ARG G 129 Z 2 SER G 136 ? THR G 141 ? SER G 137 THR G 142 Z 3 PHE G 172 ? SER G 181 ? PHE G 173 SER G 182 Z 4 CYS G 163 ? MET G 167 ? CYS G 164 MET G 168 AA 1 VAL H 5 ? SER H 8 ? VAL H 4 SER H 7 AA 2 VAL H 20 ? GLN H 26 ? VAL H 19 GLN H 25 AA 3 ASN H 74 ? LEU H 79 ? ASN H 73 LEU H 78 AA 4 LYS H 66 ? SER H 68 ? LYS H 65 SER H 67 AB 1 ASN H 11 ? VAL H 15 ? ASN H 10 VAL H 14 AB 2 THR H 107 ? LEU H 112 ? THR H 106 LEU H 111 AB 3 SER H 88 ? GLY H 95 ? SER H 87 GLY H 94 AB 4 ASN H 32 ? GLN H 38 ? ASN H 31 GLN H 37 AB 5 ARG H 45 ? SER H 50 ? ARG H 44 SER H 49 AB 6 GLU H 57 ? LYS H 58 ? GLU H 56 LYS H 57 AC 1 ASN H 11 ? VAL H 15 ? ASN H 10 VAL H 14 AC 2 THR H 107 ? LEU H 112 ? THR H 106 LEU H 111 AC 3 SER H 88 ? GLY H 95 ? SER H 87 GLY H 94 AC 4 TYR H 102 ? PHE H 103 ? TYR H 101 PHE H 102 AD 1 LYS H 122 ? PHE H 126 ? LYS H 121 PHE H 125 AD 2 LYS H 138 ? PHE H 148 ? LYS H 137 PHE H 147 AD 3 TYR H 186 ? SER H 195 ? TYR H 185 SER H 194 AD 4 VAL H 168 ? THR H 170 ? VAL H 167 THR H 169 AE 1 LYS H 122 ? PHE H 126 ? LYS H 121 PHE H 125 AE 2 LYS H 138 ? PHE H 148 ? LYS H 137 PHE H 147 AE 3 TYR H 186 ? SER H 195 ? TYR H 185 SER H 194 AE 4 LEU H 175 ? LYS H 176 ? LEU H 174 LYS H 175 AF 1 LYS H 162 ? VAL H 164 ? LYS H 161 VAL H 163 AF 2 VAL H 153 ? VAL H 159 ? VAL H 152 VAL H 158 AF 3 HIS H 205 ? PHE H 212 ? HIS H 204 PHE H 211 AF 4 GLN H 231 ? TRP H 238 ? GLN H 230 TRP H 237 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 O SER A 48 ? O SER A 48 N ARG A 39 ? N ARG A 39 A 2 3 O LEU A 35 ? O LEU A 35 N LEU A 32 ? N LEU A 32 A 3 4 O TRP A 31 ? O TRP A 31 N ARG A 11 ? N ARG A 11 A 4 5 N CYS A 12 ? N CYS A 12 O ALA A 102 ? O ALA A 102 A 5 6 N GLN A 99 ? N GLN A 99 O ALA A 119 ? O ALA A 119 A 6 7 N VAL A 118 ? N VAL A 118 O VAL A 126 ? O VAL A 126 A 7 8 N ARG A 127 ? N ARG A 127 O GLN A 134 ? O GLN A 134 B 1 2 N SER A 194 ? N SER A 194 O VAL A 207 ? O VAL A 207 B 2 3 N CYS A 208 ? N CYS A 208 O ALA A 249 ? O ALA A 249 B 3 4 O THR A 250 ? O THR A 250 N HIS A 233 ? N HIS A 233 C 1 2 N SER A 194 ? N SER A 194 O VAL A 207 ? O VAL A 207 C 2 3 N CYS A 208 ? N CYS A 208 O ALA A 249 ? O ALA A 249 C 3 4 O TYR A 246 ? O TYR A 246 N LEU A 238 ? N LEU A 238 D 1 2 O GLN A 227 ? O GLN A 227 N ARG A 224 ? N ARG A 224 D 2 3 N MET A 223 ? N MET A 223 O ALA A 262 ? O ALA A 262 D 3 4 N CYS A 263 ? N CYS A 263 O LEU A 277 ? O LEU A 277 E 1 2 N TYR B 10 ? N TYR B 10 O ASN B 24 ? O ASN B 24 E 2 3 N CYS B 25 ? N CYS B 25 O ALA B 66 ? O ALA B 66 E 3 4 O HIS B 67 ? O HIS B 67 N GLU B 50 ? N GLU B 50 F 1 2 N TYR B 10 ? N TYR B 10 O ASN B 24 ? O ASN B 24 F 2 3 N CYS B 25 ? N CYS B 25 O ALA B 66 ? O ALA B 66 F 3 4 O TYR B 63 ? O TYR B 63 N SER B 55 ? N SER B 55 G 1 2 O LYS B 44 ? O LYS B 44 N LYS B 41 ? N LYS B 41 G 2 3 N LEU B 40 ? N LEU B 40 O ALA B 79 ? O ALA B 79 G 3 4 N VAL B 82 ? N VAL B 82 O LYS B 91 ? O LYS B 91 H 1 2 N GLU C 6 ? N GLU C 4 O ASN C 25 ? O ASN C 23 H 2 3 N LEU C 22 ? N LEU C 20 O LEU C 76 ? O LEU C 75 H 3 4 O HIS C 77 ? O HIS C 76 N SER C 64 ? N SER C 63 H 4 5 O TYR C 63 ? O TYR C 62 N ASN C 60 ? N ASN C 58 I 1 2 N VAL C 14 ? N VAL C 12 O ILE C 114 ? O ILE C 115 I 2 3 O LEU C 111 ? O LEU C 112 N ALA C 87 ? N ALA C 86 I 3 4 O VAL C 92 ? O VAL C 91 N ARG C 35 ? N ARG C 33 I 4 5 N TRP C 36 ? N TRP C 34 O LEU C 48 ? O LEU C 46 J 1 2 N VAL C 14 ? N VAL C 12 O ILE C 114 ? O ILE C 115 J 2 3 O LEU C 111 ? O LEU C 112 N ALA C 87 ? N ALA C 86 J 3 4 N VAL C 93 ? N VAL C 92 O HIS C 104 ? O HIS C 105 K 1 2 N TYR C 158 ? N TYR C 159 O TRP C 180 ? O TRP C 181 K 2 3 O ALA C 179 ? O ALA C 180 N CYS C 138 ? N CYS C 139 K 3 4 O LEU C 139 ? O LEU C 140 N TYR C 125 ? N TYR C 126 K 4 5 N ARG C 128 ? N ARG C 129 O GLU D 127 ? O GLU D 126 K 5 6 N PHE D 126 ? N PHE D 125 O VAL D 142 ? O VAL D 141 K 6 7 N ALA D 139 ? N ALA D 138 O VAL D 194 ? O VAL D 193 K 7 8 O ARG D 191 ? O ARG D 190 N CYS D 169 ? N CYS D 168 L 1 2 N LEU C 165 ? N LEU C 166 O SER C 174 ? O SER C 175 L 2 3 O ALA C 179 ? O ALA C 180 N CYS C 138 ? N CYS C 139 L 3 4 O LEU C 139 ? O LEU C 140 N TYR C 125 ? N TYR C 126 L 4 5 N ARG C 128 ? N ARG C 129 O GLU D 127 ? O GLU D 126 L 5 6 N PHE D 126 ? N PHE D 125 O VAL D 142 ? O VAL D 141 L 6 7 N ALA D 139 ? N ALA D 138 O VAL D 194 ? O VAL D 193 L 7 8 O SER D 187 ? O SER D 186 N LEU D 175 ? N LEU D 174 M 1 2 N THR D 6 ? N THR D 5 O ASN D 25 ? O ASN D 24 M 2 3 N VAL D 20 ? N VAL D 19 O LEU D 79 ? O LEU D 78 M 3 4 O ILE D 78 ? O ILE D 77 N LYS D 66 ? N LYS D 65 N 1 2 N LYS D 12 ? N LYS D 11 O ARG D 108 ? O ARG D 107 N 2 3 O THR D 107 ? O THR D 106 N TYR D 90 ? N TYR D 89 N 3 4 O VAL D 89 ? O VAL D 88 N GLN D 38 ? N GLN D 37 N 4 5 N TRP D 35 ? N TRP D 34 O ILE D 47 ? O ILE D 46 N 5 6 N TYR D 49 ? N TYR D 48 O GLU D 57 ? O GLU D 56 O 1 2 N LYS D 12 ? N LYS D 11 O ARG D 108 ? O ARG D 107 O 2 3 O THR D 107 ? O THR D 106 N TYR D 90 ? N TYR D 89 O 3 4 N SER D 94 ? N SER D 93 O TYR D 102 ? O TYR D 101 P 1 2 O LYS D 162 ? O LYS D 161 N VAL D 159 ? N VAL D 158 P 2 3 N SER D 156 ? N SER D 155 O GLN D 209 ? O GLN D 208 P 3 4 N PHE D 212 ? N PHE D 211 O GLN D 231 ? O GLN D 230 Q 1 2 O SER E 48 ? O SER E 48 N ARG E 39 ? N ARG E 39 Q 2 3 O LEU E 35 ? O LEU E 35 N LEU E 32 ? N LEU E 32 Q 3 4 O ASP E 27 ? O ASP E 27 N MET E 15 ? N MET E 15 Q 4 5 N CYS E 12 ? N CYS E 12 O ALA E 102 ? O ALA E 102 Q 5 6 N GLN E 99 ? N GLN E 99 O ALA E 119 ? O ALA E 119 Q 6 7 N VAL E 118 ? N VAL E 118 O VAL E 126 ? O VAL E 126 Q 7 8 N ARG E 127 ? N ARG E 127 O GLN E 134 ? O GLN E 134 R 1 2 N SER E 194 ? N SER E 194 O VAL E 207 ? O VAL E 207 R 2 3 N VAL E 210 ? N VAL E 210 O LEU E 247 ? O LEU E 247 S 1 2 N TYR F 10 ? N TYR F 10 O ASN F 24 ? O ASN F 24 S 2 3 N ASN F 21 ? N ASN F 21 O PHE F 70 ? O PHE F 70 S 3 4 O HIS F 67 ? O HIS F 67 N GLU F 50 ? N GLU F 50 T 1 2 N TYR F 10 ? N TYR F 10 O ASN F 24 ? O ASN F 24 T 2 3 N ASN F 21 ? N ASN F 21 O PHE F 70 ? O PHE F 70 T 3 4 O TYR F 63 ? O TYR F 63 N SER F 55 ? N SER F 55 U 1 2 O LYS F 44 ? O LYS F 44 N LYS F 41 ? N LYS F 41 U 2 3 N GLN F 38 ? N GLN F 38 O ARG F 81 ? O ARG F 81 U 3 4 N VAL F 82 ? N VAL F 82 O LYS F 91 ? O LYS F 91 V 1 2 N GLU G 6 ? N GLU G 4 O ASN G 25 ? O ASN G 23 V 2 3 N LEU G 22 ? N LEU G 20 O LEU G 76 ? O LEU G 75 V 3 4 O HIS G 77 ? O HIS G 76 N SER G 64 ? N SER G 63 V 4 5 O TYR G 63 ? O TYR G 62 N ASN G 60 ? N ASN G 58 W 1 2 N VAL G 14 ? N VAL G 12 O ILE G 114 ? O ILE G 115 W 2 3 O LEU G 111 ? O LEU G 112 N ALA G 87 ? N ALA G 86 W 3 4 O ILE G 90 ? O ILE G 89 N PHE G 37 ? N PHE G 35 W 4 5 N LEU G 34 ? N LEU G 32 O LEU G 51 ? O LEU G 49 X 1 2 N VAL G 14 ? N VAL G 12 O ILE G 114 ? O ILE G 115 X 2 3 O LEU G 111 ? O LEU G 112 N ALA G 87 ? N ALA G 86 X 3 4 N VAL G 93 ? N VAL G 92 O HIS G 104 ? O HIS G 105 Y 1 2 N TYR G 125 ? N TYR G 126 O LEU G 139 ? O LEU G 140 Y 2 3 N CYS G 138 ? N CYS G 139 O ALA G 179 ? O ALA G 180 Y 3 4 O TRP G 180 ? O TRP G 181 N TYR G 158 ? N TYR G 159 Z 1 2 N TYR G 125 ? N TYR G 126 O LEU G 139 ? O LEU G 140 Z 2 3 N CYS G 138 ? N CYS G 139 O ALA G 179 ? O ALA G 180 Z 3 4 O PHE G 172 ? O PHE G 173 N MET G 167 ? N MET G 168 AA 1 2 N THR H 6 ? N THR H 5 O ASN H 25 ? O ASN H 24 AA 2 3 N LEU H 22 ? N LEU H 21 O LEU H 77 ? O LEU H 76 AA 3 4 O ILE H 78 ? O ILE H 77 N LYS H 66 ? N LYS H 65 AB 1 2 N ALA H 14 ? N ALA H 13 O LEU H 110 ? O LEU H 109 AB 2 3 O THR H 107 ? O THR H 106 N TYR H 90 ? N TYR H 89 AB 3 4 O PHE H 91 ? O PHE H 90 N TYR H 36 ? N TYR H 35 AB 4 5 N TRP H 35 ? N TRP H 34 O ILE H 47 ? O ILE H 46 AB 5 6 N TYR H 49 ? N TYR H 48 O GLU H 57 ? O GLU H 56 AC 1 2 N ALA H 14 ? N ALA H 13 O LEU H 110 ? O LEU H 109 AC 2 3 O THR H 107 ? O THR H 106 N TYR H 90 ? N TYR H 89 AC 3 4 N SER H 94 ? N SER H 93 O TYR H 102 ? O TYR H 101 AD 1 2 N PHE H 126 ? N PHE H 125 O VAL H 142 ? O VAL H 141 AD 2 3 N ALA H 145 ? N ALA H 144 O LEU H 188 ? O LEU H 187 AD 3 4 O ARG H 191 ? O ARG H 190 N CYS H 169 ? N CYS H 168 AE 1 2 N PHE H 126 ? N PHE H 125 O VAL H 142 ? O VAL H 141 AE 2 3 N ALA H 145 ? N ALA H 144 O LEU H 188 ? O LEU H 187 AE 3 4 O SER H 187 ? O SER H 186 N LEU H 175 ? N LEU H 174 AF 1 2 O LYS H 162 ? O LYS H 161 N VAL H 159 ? N VAL H 158 AF 2 3 N GLU H 154 ? N GLU H 153 O GLN H 211 ? O GLN H 210 AF 3 4 N PHE H 212 ? N PHE H 211 O GLN H 231 ? O GLN H 230 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 508' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 509' AC3 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG A 510' AC4 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 511' AC5 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 512' AC6 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE FUC A 513' AC7 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG E 514' AC8 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG E 515' AC9 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG E 516' BC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG E 517' BC2 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG E 518' BC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE FUC E 519' BC4 Software ? ? ? ? 19 'BINDING SITE FOR RESIDUE 07P A 286' BC5 Software ? ? ? ? 20 'BINDING SITE FOR RESIDUE 07P E 286' BC6 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE CL D 241' BC7 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE GOL E 287' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 3 ALA A 19 ? ALA A 19 . ? 1_555 ? 2 AC1 3 ASN A 20 ? ASN A 20 . ? 1_555 ? 3 AC1 3 SER A 22 ? SER A 22 . ? 1_555 ? 4 AC2 4 TRP A 23 ? TRP A 23 . ? 1_555 ? 5 AC2 4 SER A 24 ? SER A 24 . ? 1_555 ? 6 AC2 4 ASN A 42 ? ASN A 42 . ? 1_555 ? 7 AC2 4 NAG K . ? NAG A 510 . ? 1_555 ? 8 AC3 1 NAG J . ? NAG A 509 . ? 1_555 ? 9 AC4 5 GLY A 130 ? GLY A 130 . ? 1_555 ? 10 AC4 5 GLN A 161 ? GLN A 161 . ? 1_555 ? 11 AC4 5 ASN A 165 ? ASN A 165 . ? 1_555 ? 12 AC4 5 NAG M . ? NAG A 512 . ? 1_555 ? 13 AC4 5 FUC N . ? FUC A 513 . ? 1_555 ? 14 AC5 2 GLY A 130 ? GLY A 130 . ? 1_555 ? 15 AC5 2 NAG L . ? NAG A 511 . ? 1_555 ? 16 AC6 4 SER A 114 ? SER A 114 . ? 1_555 ? 17 AC6 4 GLY A 130 ? GLY A 130 . ? 1_555 ? 18 AC6 4 ASN A 165 ? ASN A 165 . ? 1_555 ? 19 AC6 4 NAG L . ? NAG A 511 . ? 1_555 ? 20 AC7 3 ALA E 19 ? ALA E 19 . ? 1_555 ? 21 AC7 3 ASN E 20 ? ASN E 20 . ? 1_555 ? 22 AC7 3 SER E 22 ? SER E 22 . ? 1_555 ? 23 AC8 5 TRP E 23 ? TRP E 23 . ? 1_555 ? 24 AC8 5 SER E 24 ? SER E 24 . ? 1_555 ? 25 AC8 5 ARG E 25 ? ARG E 25 . ? 1_555 ? 26 AC8 5 ASN E 42 ? ASN E 42 . ? 1_555 ? 27 AC8 5 NAG S . ? NAG E 516 . ? 1_555 ? 28 AC9 1 NAG R . ? NAG E 515 . ? 1_555 ? 29 BC1 4 GLN E 161 ? GLN E 161 . ? 1_555 ? 30 BC1 4 ASN E 165 ? ASN E 165 . ? 1_555 ? 31 BC1 4 NAG U . ? NAG E 518 . ? 1_555 ? 32 BC1 4 FUC V . ? FUC E 519 . ? 1_555 ? 33 BC2 2 GLY E 130 ? GLY E 130 . ? 1_555 ? 34 BC2 2 NAG T . ? NAG E 517 . ? 1_555 ? 35 BC3 4 SER E 114 ? SER E 114 . ? 1_555 ? 36 BC3 4 PHE E 128 ? PHE E 128 . ? 1_555 ? 37 BC3 4 GLY E 130 ? GLY E 130 . ? 1_555 ? 38 BC3 4 NAG T . ? NAG E 517 . ? 1_555 ? 39 BC4 19 SER A 28 ? SER A 28 . ? 1_555 ? 40 BC4 19 VAL A 30 ? VAL A 30 . ? 1_555 ? 41 BC4 19 TRP A 63 ? TRP A 63 . ? 1_555 ? 42 BC4 19 TYR A 73 ? TYR A 73 . ? 1_555 ? 43 BC4 19 SER A 76 ? SER A 76 . ? 1_555 ? 44 BC4 19 ASP A 80 ? ASP A 80 . ? 1_555 ? 45 BC4 19 VAL A 118 ? VAL A 118 . ? 1_555 ? 46 BC4 19 TRP A 133 ? TRP A 133 . ? 1_555 ? 47 BC4 19 LEU A 143 ? LEU A 143 . ? 1_555 ? 48 BC4 19 ASP A 153 ? ASP A 153 . ? 1_555 ? 49 BC4 19 GLY A 155 ? GLY A 155 . ? 1_555 ? 50 BC4 19 THR A 156 ? THR A 156 . ? 1_555 ? 51 BC4 19 THR A 159 ? THR A 159 . ? 1_555 ? 52 BC4 19 CYS A 168 ? CYS A 168 . ? 1_555 ? 53 BC4 19 PHE A 171 ? PHE A 171 . ? 1_555 ? 54 BC4 19 PRO C 30 ? PRO C 28 . ? 1_555 ? 55 BC4 19 ASN C 32 ? ASN C 30 . ? 1_555 ? 56 BC4 19 ARG C 96 ? ARG C 95 . ? 1_555 ? 57 BC4 19 GLY C 97 ? GLY C 96 . ? 1_555 ? 58 BC5 20 GLN E 14 ? GLN E 14 . ? 1_555 ? 59 BC5 20 SER E 28 ? SER E 28 . ? 1_555 ? 60 BC5 20 VAL E 30 ? VAL E 30 . ? 1_555 ? 61 BC5 20 PHE E 70 ? PHE E 70 . ? 1_555 ? 62 BC5 20 TYR E 73 ? TYR E 73 . ? 1_555 ? 63 BC5 20 SER E 76 ? SER E 76 . ? 1_555 ? 64 BC5 20 ASP E 80 ? ASP E 80 . ? 1_555 ? 65 BC5 20 GLU E 92 ? GLU E 92 . ? 1_555 ? 66 BC5 20 LEU E 100 ? LEU E 100 . ? 1_555 ? 67 BC5 20 VAL E 118 ? VAL E 118 . ? 1_555 ? 68 BC5 20 TRP E 133 ? TRP E 133 . ? 1_555 ? 69 BC5 20 TRP E 142 ? TRP E 142 . ? 1_555 ? 70 BC5 20 LEU E 150 ? LEU E 150 . ? 1_555 ? 71 BC5 20 ASP E 153 ? ASP E 153 . ? 1_555 ? 72 BC5 20 GLY E 155 ? GLY E 155 . ? 1_555 ? 73 BC5 20 THR E 156 ? THR E 156 . ? 1_555 ? 74 BC5 20 PRO G 30 ? PRO G 28 . ? 1_555 ? 75 BC5 20 ASN G 32 ? ASN G 30 . ? 1_555 ? 76 BC5 20 ARG G 96 ? ARG G 95 . ? 1_555 ? 77 BC5 20 GLY G 97 ? GLY G 96 . ? 1_555 ? 78 BC6 2 HIS D 165 ? HIS D 164 . ? 1_555 ? 79 BC6 2 SER D 166 ? SER D 165 . ? 1_555 ? 80 BC7 7 THR E 37 ? THR E 37 . ? 1_555 ? 81 BC7 7 HIS E 38 ? HIS E 38 . ? 1_555 ? 82 BC7 7 PHE E 49 ? PHE E 49 . ? 1_555 ? 83 BC7 7 THR E 50 ? THR E 50 . ? 1_555 ? 84 BC7 7 LYS E 51 ? LYS E 51 . ? 1_555 ? 85 BC7 7 SER E 54 ? SER E 54 . ? 1_555 ? 86 BC7 7 GLN E 55 ? GLN E 55 . ? 1_555 ? # _database_PDB_matrix.entry_id 3TVM _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 3TVM _atom_sites.fract_transf_matrix[1][1] 0.012663 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.001409 _atom_sites.fract_transf_matrix[2][1] -0.000000 _atom_sites.fract_transf_matrix[2][2] 0.006641 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] -0.000000 _atom_sites.fract_transf_matrix[3][3] 0.009868 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C CL N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . LYS A 1 6 ? 20.307 -1.157 52.528 1.00 75.97 ? 6 LYS A N 1 ATOM 2 C CA . LYS A 1 6 ? 21.759 -0.802 52.519 1.00 76.12 ? 6 LYS A CA 1 ATOM 3 C C . LYS A 1 6 ? 22.460 -1.247 51.232 1.00 72.31 ? 6 LYS A C 1 ATOM 4 O O . LYS A 1 6 ? 23.436 -0.621 50.806 1.00 71.30 ? 6 LYS A O 1 ATOM 5 C CB . LYS A 1 6 ? 22.464 -1.392 53.745 1.00 80.20 ? 6 LYS A CB 1 ATOM 6 N N . ASN A 1 7 ? 21.962 -2.327 50.627 1.00 70.49 ? 7 ASN A N 1 ATOM 7 C CA . ASN A 1 7 ? 22.489 -2.840 49.358 1.00 67.00 ? 7 ASN A CA 1 ATOM 8 C C . ASN A 1 7 ? 21.783 -2.240 48.145 1.00 63.44 ? 7 ASN A C 1 ATOM 9 O O . ASN A 1 7 ? 20.667 -2.641 47.808 1.00 62.79 ? 7 ASN A O 1 ATOM 10 C CB . ASN A 1 7 ? 22.391 -4.373 49.303 1.00 67.19 ? 7 ASN A CB 1 ATOM 11 C CG . ASN A 1 7 ? 23.479 -5.069 50.108 1.00 70.46 ? 7 ASN A CG 1 ATOM 12 O OD1 . ASN A 1 7 ? 24.411 -4.433 50.605 1.00 72.93 ? 7 ASN A OD1 1 ATOM 13 N ND2 . ASN A 1 7 ? 23.364 -6.390 50.238 1.00 71.46 ? 7 ASN A ND2 1 ATOM 14 N N . TYR A 1 8 ? 22.436 -1.283 47.491 1.00 61.51 ? 8 TYR A N 1 ATOM 15 C CA . TYR A 1 8 ? 21.887 -0.672 46.280 1.00 58.25 ? 8 TYR A CA 1 ATOM 16 C C . TYR A 1 8 ? 22.485 -1.287 45.015 1.00 55.04 ? 8 TYR A C 1 ATOM 17 O O . TYR A 1 8 ? 23.698 -1.506 44.935 1.00 54.91 ? 8 TYR A O 1 ATOM 18 C CB . TYR A 1 8 ? 22.101 0.846 46.291 1.00 58.54 ? 8 TYR A CB 1 ATOM 19 C CG . TYR A 1 8 ? 21.293 1.571 47.348 1.00 61.48 ? 8 TYR A CG 1 ATOM 20 C CD1 . TYR A 1 8 ? 21.812 1.784 48.625 1.00 64.90 ? 8 TYR A CD1 1 ATOM 21 C CD2 . TYR A 1 8 ? 20.009 2.044 47.070 1.00 61.12 ? 8 TYR A CD2 1 ATOM 22 C CE1 . TYR A 1 8 ? 21.074 2.446 49.601 1.00 67.95 ? 8 TYR A CE1 1 ATOM 23 C CE2 . TYR A 1 8 ? 19.262 2.709 48.039 1.00 64.21 ? 8 TYR A CE2 1 ATOM 24 C CZ . TYR A 1 8 ? 19.800 2.905 49.303 1.00 67.51 ? 8 TYR A CZ 1 ATOM 25 O OH . TYR A 1 8 ? 19.069 3.559 50.269 1.00 70.33 ? 8 TYR A OH 1 ATOM 26 N N . THR A 1 9 ? 21.625 -1.573 44.038 1.00 52.61 ? 9 THR A N 1 ATOM 27 C CA . THR A 1 9 ? 22.064 -2.037 42.723 1.00 49.45 ? 9 THR A CA 1 ATOM 28 C C . THR A 1 9 ? 21.926 -0.925 41.683 1.00 47.38 ? 9 THR A C 1 ATOM 29 O O . THR A 1 9 ? 20.836 -0.393 41.455 1.00 47.18 ? 9 THR A O 1 ATOM 30 C CB . THR A 1 9 ? 21.292 -3.287 42.258 1.00 48.66 ? 9 THR A CB 1 ATOM 31 O OG1 . THR A 1 9 ? 21.372 -4.305 43.263 1.00 50.97 ? 9 THR A OG1 1 ATOM 32 C CG2 . THR A 1 9 ? 21.875 -3.827 40.958 1.00 46.23 ? 9 THR A CG2 1 ATOM 33 N N . PHE A 1 10 ? 23.052 -0.588 41.064 1.00 46.03 ? 10 PHE A N 1 ATOM 34 C CA . PHE A 1 10 ? 23.130 0.431 40.026 1.00 44.32 ? 10 PHE A CA 1 ATOM 35 C C . PHE A 1 10 ? 23.027 -0.248 38.658 1.00 41.94 ? 10 PHE A C 1 ATOM 36 O O . PHE A 1 10 ? 23.707 -1.244 38.403 1.00 41.38 ? 10 PHE A O 1 ATOM 37 C CB . PHE A 1 10 ? 24.449 1.191 40.187 1.00 44.83 ? 10 PHE A CB 1 ATOM 38 C CG . PHE A 1 10 ? 24.725 2.201 39.110 1.00 43.26 ? 10 PHE A CG 1 ATOM 39 C CD1 . PHE A 1 10 ? 24.128 3.458 39.142 1.00 43.91 ? 10 PHE A CD1 1 ATOM 40 C CD2 . PHE A 1 10 ? 25.617 1.908 38.084 1.00 41.53 ? 10 PHE A CD2 1 ATOM 41 C CE1 . PHE A 1 10 ? 24.396 4.401 38.152 1.00 42.73 ? 10 PHE A CE1 1 ATOM 42 C CE2 . PHE A 1 10 ? 25.890 2.842 37.088 1.00 40.88 ? 10 PHE A CE2 1 ATOM 43 C CZ . PHE A 1 10 ? 25.277 4.093 37.123 1.00 41.25 ? 10 PHE A CZ 1 ATOM 44 N N . ARG A 1 11 ? 22.169 0.284 37.790 1.00 40.85 ? 11 ARG A N 1 ATOM 45 C CA . ARG A 1 11 ? 21.874 -0.349 36.505 1.00 39.04 ? 11 ARG A CA 1 ATOM 46 C C . ARG A 1 11 ? 21.904 0.616 35.329 1.00 38.01 ? 11 ARG A C 1 ATOM 47 O O . ARG A 1 11 ? 21.200 1.623 35.325 1.00 38.65 ? 11 ARG A O 1 ATOM 48 C CB . ARG A 1 11 ? 20.506 -1.033 36.543 1.00 39.34 ? 11 ARG A CB 1 ATOM 49 C CG . ARG A 1 11 ? 20.492 -2.359 37.257 1.00 40.39 ? 11 ARG A CG 1 ATOM 50 C CD . ARG A 1 11 ? 19.114 -2.989 37.222 1.00 41.42 ? 11 ARG A CD 1 ATOM 51 N NE . ARG A 1 11 ? 19.150 -4.357 37.732 1.00 43.23 ? 11 ARG A NE 1 ATOM 52 C CZ . ARG A 1 11 ? 18.893 -4.703 38.991 1.00 46.24 ? 11 ARG A CZ 1 ATOM 53 N NH1 . ARG A 1 11 ? 18.567 -3.782 39.892 1.00 48.03 ? 11 ARG A NH1 1 ATOM 54 N NH2 . ARG A 1 11 ? 18.958 -5.980 39.353 1.00 47.64 ? 11 ARG A NH2 1 ATOM 55 N N . CYS A 1 12 ? 22.721 0.294 34.331 1.00 36.74 ? 12 CYS A N 1 ATOM 56 C CA . CYS A 1 12 ? 22.674 0.965 33.042 1.00 35.91 ? 12 CYS A CA 1 ATOM 57 C C . CYS A 1 12 ? 21.968 0.033 32.068 1.00 35.11 ? 12 CYS A C 1 ATOM 58 O O . CYS A 1 12 ? 22.518 -1.000 31.679 1.00 34.45 ? 12 CYS A O 1 ATOM 59 C CB . CYS A 1 12 ? 24.081 1.288 32.549 1.00 35.17 ? 12 CYS A CB 1 ATOM 60 S SG . CYS A 1 12 ? 25.058 2.236 33.722 1.00 37.38 ? 12 CYS A SG 1 ATOM 61 N N . LEU A 1 13 ? 20.738 0.387 31.701 1.00 35.58 ? 13 LEU A N 1 ATOM 62 C CA . LEU A 1 13 ? 19.941 -0.434 30.795 1.00 35.22 ? 13 LEU A CA 1 ATOM 63 C C . LEU A 1 13 ? 19.931 0.165 29.406 1.00 34.80 ? 13 LEU A C 1 ATOM 64 O O . LEU A 1 13 ? 19.566 1.325 29.226 1.00 35.58 ? 13 LEU A O 1 ATOM 65 C CB . LEU A 1 13 ? 18.508 -0.594 31.307 1.00 36.53 ? 13 LEU A CB 1 ATOM 66 C CG . LEU A 1 13 ? 18.284 -1.108 32.734 1.00 37.50 ? 13 LEU A CG 1 ATOM 67 C CD1 . LEU A 1 13 ? 16.801 -1.172 33.027 1.00 38.48 ? 13 LEU A CD1 1 ATOM 68 C CD2 . LEU A 1 13 ? 18.932 -2.465 32.965 1.00 37.16 ? 13 LEU A CD2 1 ATOM 69 N N . GLN A 1 14 ? 20.344 -0.633 28.428 1.00 33.96 ? 14 GLN A N 1 ATOM 70 C CA . GLN A 1 14 ? 20.395 -0.200 27.041 1.00 33.72 ? 14 GLN A CA 1 ATOM 71 C C . GLN A 1 14 ? 19.492 -1.084 26.194 1.00 34.01 ? 14 GLN A C 1 ATOM 72 O O . GLN A 1 14 ? 19.503 -2.309 26.330 1.00 33.75 ? 14 GLN A O 1 ATOM 73 C CB . GLN A 1 14 ? 21.832 -0.264 26.523 1.00 32.78 ? 14 GLN A CB 1 ATOM 74 C CG . GLN A 1 14 ? 22.034 0.304 25.124 1.00 33.18 ? 14 GLN A CG 1 ATOM 75 C CD . GLN A 1 14 ? 23.272 -0.250 24.443 1.00 33.09 ? 14 GLN A CD 1 ATOM 76 O OE1 . GLN A 1 14 ? 24.362 -0.262 25.018 1.00 32.84 ? 14 GLN A OE1 1 ATOM 77 N NE2 . GLN A 1 14 ? 23.109 -0.715 23.210 1.00 33.42 ? 14 GLN A NE2 1 ATOM 78 N N . MET A 1 15 ? 18.708 -0.454 25.325 1.00 34.76 ? 15 MET A N 1 ATOM 79 C CA . MET A 1 15 ? 17.848 -1.184 24.399 1.00 35.46 ? 15 MET A CA 1 ATOM 80 C C . MET A 1 15 ? 18.049 -0.672 22.978 1.00 35.60 ? 15 MET A C 1 ATOM 81 O O . MET A 1 15 ? 17.872 0.520 22.698 1.00 36.35 ? 15 MET A O 1 ATOM 82 C CB . MET A 1 15 ? 16.376 -1.124 24.835 1.00 37.05 ? 15 MET A CB 1 ATOM 83 C CG . MET A 1 15 ? 15.847 0.276 25.124 1.00 39.03 ? 15 MET A CG 1 ATOM 84 S SD . MET A 1 15 ? 14.846 0.375 26.619 1.00 42.04 ? 15 MET A SD 1 ATOM 85 C CE . MET A 1 15 ? 16.100 0.387 27.897 1.00 40.19 ? 15 MET A CE 1 ATOM 86 N N . SER A 1 16 ? 18.442 -1.583 22.093 1.00 34.96 ? 16 SER A N 1 ATOM 87 C CA . SER A 1 16 ? 18.756 -1.241 20.718 1.00 35.23 ? 16 SER A CA 1 ATOM 88 C C . SER A 1 16 ? 17.907 -2.048 19.754 1.00 36.44 ? 16 SER A C 1 ATOM 89 O O . SER A 1 16 ? 17.799 -3.265 19.882 1.00 36.12 ? 16 SER A O 1 ATOM 90 C CB . SER A 1 16 ? 20.243 -1.482 20.436 1.00 34.10 ? 16 SER A CB 1 ATOM 91 O OG . SER A 1 16 ? 21.069 -0.587 21.166 1.00 33.29 ? 16 SER A OG 1 ATOM 92 N N . SER A 1 17 ? 17.310 -1.359 18.786 1.00 38.06 ? 17 SER A N 1 ATOM 93 C CA . SER A 1 17 ? 16.481 -2.001 17.772 1.00 39.86 ? 17 SER A CA 1 ATOM 94 C C . SER A 1 17 ? 17.078 -1.794 16.390 1.00 40.64 ? 17 SER A C 1 ATOM 95 O O . SER A 1 17 ? 17.463 -0.679 16.031 1.00 40.97 ? 17 SER A O 1 ATOM 96 C CB . SER A 1 17 ? 15.054 -1.447 17.798 1.00 42.00 ? 17 SER A CB 1 ATOM 97 O OG . SER A 1 17 ? 14.445 -1.634 19.062 1.00 41.63 ? 17 SER A OG 1 ATOM 98 N N . PHE A 1 18 ? 17.142 -2.878 15.623 1.00 41.15 ? 18 PHE A N 1 ATOM 99 C CA . PHE A 1 18 ? 17.617 -2.844 14.249 1.00 42.34 ? 18 PHE A CA 1 ATOM 100 C C . PHE A 1 18 ? 16.532 -3.429 13.331 1.00 45.27 ? 18 PHE A C 1 ATOM 101 O O . PHE A 1 18 ? 16.332 -4.647 13.291 1.00 45.58 ? 18 PHE A O 1 ATOM 102 C CB . PHE A 1 18 ? 18.919 -3.643 14.120 1.00 40.59 ? 18 PHE A CB 1 ATOM 103 C CG . PHE A 1 18 ? 20.025 -3.188 15.044 1.00 37.94 ? 18 PHE A CG 1 ATOM 104 C CD1 . PHE A 1 18 ? 20.064 -3.604 16.376 1.00 36.03 ? 18 PHE A CD1 1 ATOM 105 C CD2 . PHE A 1 18 ? 21.050 -2.373 14.573 1.00 37.57 ? 18 PHE A CD2 1 ATOM 106 C CE1 . PHE A 1 18 ? 21.091 -3.196 17.226 1.00 33.73 ? 18 PHE A CE1 1 ATOM 107 C CE2 . PHE A 1 18 ? 22.088 -1.962 15.418 1.00 35.29 ? 18 PHE A CE2 1 ATOM 108 C CZ . PHE A 1 18 ? 22.105 -2.376 16.745 1.00 33.75 ? 18 PHE A CZ 1 ATOM 109 N N . ALA A 1 19 ? 15.830 -2.556 12.607 1.00 47.75 ? 19 ALA A N 1 ATOM 110 C CA . ALA A 1 19 ? 14.678 -2.959 11.787 1.00 51.11 ? 19 ALA A CA 1 ATOM 111 C C . ALA A 1 19 ? 15.078 -3.546 10.434 1.00 52.98 ? 19 ALA A C 1 ATOM 112 O O . ALA A 1 19 ? 14.492 -4.529 9.975 1.00 54.67 ? 19 ALA A O 1 ATOM 113 C CB . ALA A 1 19 ? 13.723 -1.789 11.595 1.00 53.30 ? 19 ALA A CB 1 ATOM 114 N N . ASN A 1 20 ? 16.061 -2.913 9.799 1.00 53.02 ? 20 ASN A N 1 ATOM 115 C CA . ASN A 1 20 ? 16.646 -3.384 8.547 1.00 54.83 ? 20 ASN A CA 1 ATOM 116 C C . ASN A 1 20 ? 18.108 -2.956 8.471 1.00 52.95 ? 20 ASN A C 1 ATOM 117 O O . ASN A 1 20 ? 18.694 -2.571 9.487 1.00 50.37 ? 20 ASN A O 1 ATOM 118 C CB . ASN A 1 20 ? 15.851 -2.874 7.339 1.00 58.98 ? 20 ASN A CB 1 ATOM 119 C CG . ASN A 1 20 ? 15.392 -1.435 7.499 1.00 60.57 ? 20 ASN A CG 1 ATOM 120 O OD1 . ASN A 1 20 ? 16.202 -0.529 7.710 1.00 58.98 ? 20 ASN A OD1 1 ATOM 121 N ND2 . ASN A 1 20 ? 14.080 -1.222 7.393 1.00 64.61 ? 20 ASN A ND2 1 ATOM 122 N N . ARG A 1 21 ? 18.694 -3.024 7.278 1.00 54.73 ? 21 ARG A N 1 ATOM 123 C CA . ARG A 1 21 ? 20.100 -2.660 7.080 1.00 53.41 ? 21 ARG A CA 1 ATOM 124 C C . ARG A 1 21 ? 20.382 -1.185 7.366 1.00 52.86 ? 21 ARG A C 1 ATOM 125 O O . ARG A 1 21 ? 21.482 -0.837 7.798 1.00 50.80 ? 21 ARG A O 1 ATOM 126 C CB . ARG A 1 21 ? 20.559 -3.018 5.662 1.00 56.02 ? 21 ARG A CB 1 ATOM 127 C CG . ARG A 1 21 ? 20.816 -4.508 5.440 1.00 56.51 ? 21 ARG A CG 1 ATOM 128 C CD . ARG A 1 21 ? 21.057 -4.843 3.968 1.00 60.72 ? 21 ARG A CD 1 ATOM 129 N NE . ARG A 1 21 ? 22.218 -4.147 3.405 1.00 61.73 ? 21 ARG A NE 1 ATOM 130 C CZ . ARG A 1 21 ? 23.477 -4.586 3.462 1.00 60.32 ? 21 ARG A CZ 1 ATOM 131 N NH1 . ARG A 1 21 ? 23.774 -5.733 4.065 1.00 58.53 ? 21 ARG A NH1 1 ATOM 132 N NH2 . ARG A 1 21 ? 24.447 -3.869 2.911 1.00 60.79 ? 21 ARG A NH2 1 ATOM 133 N N . SER A 1 22 ? 19.385 -0.331 7.140 1.00 54.93 ? 22 SER A N 1 ATOM 134 C CA . SER A 1 22 ? 19.556 1.116 7.277 1.00 55.18 ? 22 SER A CA 1 ATOM 135 C C . SER A 1 22 ? 19.018 1.700 8.589 1.00 53.42 ? 22 SER A C 1 ATOM 136 O O . SER A 1 22 ? 19.661 2.565 9.188 1.00 51.97 ? 22 SER A O 1 ATOM 137 C CB . SER A 1 22 ? 18.941 1.845 6.076 1.00 59.28 ? 22 SER A CB 1 ATOM 138 O OG . SER A 1 22 ? 17.557 1.563 5.953 1.00 61.68 ? 22 SER A OG 1 ATOM 139 N N . TRP A 1 23 ? 17.851 1.226 9.027 1.00 53.79 ? 23 TRP A N 1 ATOM 140 C CA . TRP A 1 23 ? 17.171 1.757 10.219 1.00 52.66 ? 23 TRP A CA 1 ATOM 141 C C . TRP A 1 23 ? 17.687 1.146 11.524 1.00 49.02 ? 23 TRP A C 1 ATOM 142 O O . TRP A 1 23 ? 17.886 -0.068 11.618 1.00 47.88 ? 23 TRP A O 1 ATOM 143 C CB . TRP A 1 23 ? 15.664 1.528 10.105 1.00 55.13 ? 23 TRP A CB 1 ATOM 144 C CG . TRP A 1 23 ? 14.823 2.350 11.037 1.00 55.46 ? 23 TRP A CG 1 ATOM 145 C CD1 . TRP A 1 23 ? 14.226 3.544 10.756 1.00 58.11 ? 23 TRP A CD1 1 ATOM 146 C CD2 . TRP A 1 23 ? 14.463 2.030 12.389 1.00 53.72 ? 23 TRP A CD2 1 ATOM 147 N NE1 . TRP A 1 23 ? 13.523 3.992 11.848 1.00 57.70 ? 23 TRP A NE1 1 ATOM 148 C CE2 . TRP A 1 23 ? 13.651 3.083 12.865 1.00 55.06 ? 23 TRP A CE2 1 ATOM 149 C CE3 . TRP A 1 23 ? 14.751 0.961 13.248 1.00 51.33 ? 23 TRP A CE3 1 ATOM 150 C CZ2 . TRP A 1 23 ? 13.122 3.099 14.162 1.00 54.01 ? 23 TRP A CZ2 1 ATOM 151 C CZ3 . TRP A 1 23 ? 14.223 0.975 14.537 1.00 50.15 ? 23 TRP A CZ3 1 ATOM 152 C CH2 . TRP A 1 23 ? 13.420 2.040 14.980 1.00 51.45 ? 23 TRP A CH2 1 ATOM 153 N N . SER A 1 24 ? 17.887 2.000 12.528 1.00 47.44 ? 24 SER A N 1 ATOM 154 C CA . SER A 1 24 ? 18.377 1.580 13.843 1.00 44.36 ? 24 SER A CA 1 ATOM 155 C C . SER A 1 24 ? 18.050 2.601 14.929 1.00 43.91 ? 24 SER A C 1 ATOM 156 O O . SER A 1 24 ? 17.813 3.775 14.640 1.00 45.48 ? 24 SER A O 1 ATOM 157 C CB . SER A 1 24 ? 19.886 1.337 13.808 1.00 42.44 ? 24 SER A CB 1 ATOM 158 O OG . SER A 1 24 ? 20.355 0.946 15.083 1.00 39.54 ? 24 SER A OG 1 ATOM 159 N N . ARG A 1 25 ? 18.049 2.144 16.180 1.00 42.05 ? 25 ARG A N 1 ATOM 160 C CA . ARG A 1 25 ? 17.742 3.003 17.321 1.00 41.68 ? 25 ARG A CA 1 ATOM 161 C C . ARG A 1 25 ? 18.332 2.449 18.617 1.00 39.21 ? 25 ARG A C 1 ATOM 162 O O . ARG A 1 25 ? 18.261 1.246 18.870 1.00 38.42 ? 25 ARG A O 1 ATOM 163 C CB . ARG A 1 25 ? 16.227 3.161 17.468 1.00 43.76 ? 25 ARG A CB 1 ATOM 164 C CG . ARG A 1 25 ? 15.816 4.292 18.385 1.00 44.91 ? 25 ARG A CG 1 ATOM 165 C CD . ARG A 1 25 ? 14.312 4.374 18.557 1.00 48.10 ? 25 ARG A CD 1 ATOM 166 N NE . ARG A 1 25 ? 13.969 5.385 19.555 1.00 49.79 ? 25 ARG A NE 1 ATOM 167 C CZ . ARG A 1 25 ? 13.794 6.679 19.293 1.00 52.52 ? 25 ARG A CZ 1 ATOM 168 N NH1 . ARG A 1 25 ? 13.492 7.516 20.277 1.00 53.57 ? 25 ARG A NH1 1 ATOM 169 N NH2 . ARG A 1 25 ? 13.913 7.142 18.053 1.00 54.32 ? 25 ARG A NH2 1 ATOM 170 N N . THR A 1 26 ? 18.909 3.336 19.427 1.00 38.31 ? 26 THR A N 1 ATOM 171 C CA . THR A 1 26 ? 19.402 2.985 20.765 1.00 36.54 ? 26 THR A CA 1 ATOM 172 C C . THR A 1 26 ? 18.945 4.009 21.813 1.00 36.99 ? 26 THR A C 1 ATOM 173 O O . THR A 1 26 ? 19.198 5.210 21.679 1.00 37.57 ? 26 THR A O 1 ATOM 174 C CB . THR A 1 26 ? 20.949 2.825 20.788 1.00 35.06 ? 26 THR A CB 1 ATOM 175 O OG1 . THR A 1 26 ? 21.328 1.728 19.951 1.00 34.70 ? 26 THR A OG1 1 ATOM 176 C CG2 . THR A 1 26 ? 21.465 2.561 22.201 1.00 33.66 ? 26 THR A CG2 1 ATOM 177 N N . ASP A 1 27 ? 18.261 3.517 22.845 1.00 36.80 ? 27 ASP A N 1 ATOM 178 C CA . ASP A 1 27 ? 17.813 4.345 23.964 1.00 37.49 ? 27 ASP A CA 1 ATOM 179 C C . ASP A 1 27 ? 18.257 3.709 25.274 1.00 36.31 ? 27 ASP A C 1 ATOM 180 O O . ASP A 1 27 ? 18.199 2.488 25.430 1.00 35.83 ? 27 ASP A O 1 ATOM 181 C CB . ASP A 1 27 ? 16.292 4.509 23.950 1.00 39.25 ? 27 ASP A CB 1 ATOM 182 C CG . ASP A 1 27 ? 15.785 5.176 22.680 1.00 41.42 ? 27 ASP A CG 1 ATOM 183 O OD1 . ASP A 1 27 ? 15.357 4.443 21.759 1.00 42.29 ? 27 ASP A OD1 1 ATOM 184 O OD2 . ASP A 1 27 ? 15.822 6.425 22.596 1.00 42.37 ? 27 ASP A OD2 1 ATOM 185 N N . SER A 1 28 ? 18.706 4.536 26.210 1.00 36.29 ? 28 SER A N 1 ATOM 186 C CA . SER A 1 28 ? 19.171 4.044 27.496 1.00 35.61 ? 28 SER A CA 1 ATOM 187 C C . SER A 1 28 ? 18.517 4.743 28.676 1.00 36.93 ? 28 SER A C 1 ATOM 188 O O . SER A 1 28 ? 17.988 5.852 28.548 1.00 38.38 ? 28 SER A O 1 ATOM 189 C CB . SER A 1 28 ? 20.687 4.163 27.599 1.00 34.66 ? 28 SER A CB 1 ATOM 190 O OG . SER A 1 28 ? 21.316 3.090 26.930 1.00 34.17 ? 28 SER A OG 1 ATOM 191 N N . VAL A 1 29 ? 18.560 4.069 29.822 1.00 36.66 ? 29 VAL A N 1 ATOM 192 C CA . VAL A 1 29 ? 18.065 4.588 31.092 1.00 37.83 ? 29 VAL A CA 1 ATOM 193 C C . VAL A 1 29 ? 18.952 4.054 32.213 1.00 37.38 ? 29 VAL A C 1 ATOM 194 O O . VAL A 1 29 ? 19.482 2.944 32.122 1.00 36.37 ? 29 VAL A O 1 ATOM 195 C CB . VAL A 1 29 ? 16.593 4.181 31.353 1.00 38.97 ? 29 VAL A CB 1 ATOM 196 C CG1 . VAL A 1 29 ? 15.638 5.087 30.593 1.00 40.15 ? 29 VAL A CG1 1 ATOM 197 C CG2 . VAL A 1 29 ? 16.355 2.712 30.991 1.00 38.48 ? 29 VAL A CG2 1 ATOM 198 N N . VAL A 1 30 ? 19.125 4.844 33.265 1.00 38.45 ? 30 VAL A N 1 ATOM 199 C CA . VAL A 1 30 ? 19.978 4.439 34.377 1.00 38.60 ? 30 VAL A CA 1 ATOM 200 C C . VAL A 1 30 ? 19.218 4.494 35.700 1.00 40.31 ? 30 VAL A C 1 ATOM 201 O O . VAL A 1 30 ? 18.553 5.485 35.993 1.00 41.84 ? 30 VAL A O 1 ATOM 202 C CB . VAL A 1 30 ? 21.262 5.296 34.448 1.00 38.70 ? 30 VAL A CB 1 ATOM 203 C CG1 . VAL A 1 30 ? 22.170 4.819 35.562 1.00 39.17 ? 30 VAL A CG1 1 ATOM 204 C CG2 . VAL A 1 30 ? 22.005 5.243 33.125 1.00 37.17 ? 30 VAL A CG2 1 ATOM 205 N N . TRP A 1 31 ? 19.317 3.420 36.483 1.00 40.42 ? 31 TRP A N 1 ATOM 206 C CA . TRP A 1 31 ? 18.647 3.329 37.782 1.00 42.27 ? 31 TRP A CA 1 ATOM 207 C C . TRP A 1 31 ? 19.637 3.095 38.920 1.00 43.01 ? 31 TRP A C 1 ATOM 208 O O . TRP A 1 31 ? 20.505 2.220 38.837 1.00 41.93 ? 31 TRP A O 1 ATOM 209 C CB . TRP A 1 31 ? 17.613 2.196 37.796 1.00 42.52 ? 31 TRP A CB 1 ATOM 210 C CG . TRP A 1 31 ? 16.564 2.279 36.734 1.00 42.39 ? 31 TRP A CG 1 ATOM 211 C CD1 . TRP A 1 31 ? 16.671 1.849 35.444 1.00 41.10 ? 31 TRP A CD1 1 ATOM 212 C CD2 . TRP A 1 31 ? 15.237 2.804 36.874 1.00 44.19 ? 31 TRP A CD2 1 ATOM 213 N NE1 . TRP A 1 31 ? 15.499 2.082 34.767 1.00 41.99 ? 31 TRP A NE1 1 ATOM 214 C CE2 . TRP A 1 31 ? 14.601 2.667 35.620 1.00 43.54 ? 31 TRP A CE2 1 ATOM 215 C CE3 . TRP A 1 31 ? 14.526 3.382 37.934 1.00 46.65 ? 31 TRP A CE3 1 ATOM 216 C CZ2 . TRP A 1 31 ? 13.285 3.088 35.395 1.00 45.12 ? 31 TRP A CZ2 1 ATOM 217 C CZ3 . TRP A 1 31 ? 13.215 3.798 37.712 1.00 47.93 ? 31 TRP A CZ3 1 ATOM 218 C CH2 . TRP A 1 31 ? 12.610 3.648 36.450 1.00 47.34 ? 31 TRP A CH2 1 ATOM 219 N N . LEU A 1 32 ? 19.499 3.890 39.978 1.00 44.90 ? 32 LEU A N 1 ATOM 220 C CA . LEU A 1 32 ? 20.171 3.624 41.240 1.00 46.34 ? 32 LEU A CA 1 ATOM 221 C C . LEU A 1 32 ? 19.107 3.105 42.188 1.00 48.13 ? 32 LEU A C 1 ATOM 222 O O . LEU A 1 32 ? 18.273 3.871 42.680 1.00 49.71 ? 32 LEU A O 1 ATOM 223 C CB . LEU A 1 32 ? 20.836 4.887 41.788 1.00 47.80 ? 32 LEU A CB 1 ATOM 224 C CG . LEU A 1 32 ? 21.551 4.822 43.142 1.00 50.04 ? 32 LEU A CG 1 ATOM 225 C CD1 . LEU A 1 32 ? 22.633 3.752 43.173 1.00 49.12 ? 32 LEU A CD1 1 ATOM 226 C CD2 . LEU A 1 32 ? 22.137 6.180 43.480 1.00 51.70 ? 32 LEU A CD2 1 ATOM 227 N N . GLY A 1 33 ? 19.132 1.796 42.425 1.00 48.01 ? 33 GLY A N 1 ATOM 228 C CA . GLY A 1 33 ? 18.040 1.120 43.110 1.00 49.61 ? 33 GLY A CA 1 ATOM 229 C C . GLY A 1 33 ? 16.812 1.179 42.224 1.00 48.74 ? 33 GLY A C 1 ATOM 230 O O . GLY A 1 33 ? 16.812 0.642 41.114 1.00 46.76 ? 33 GLY A O 1 ATOM 231 N N . ASP A 1 34 ? 15.774 1.856 42.706 1.00 50.59 ? 34 ASP A N 1 ATOM 232 C CA . ASP A 1 34 ? 14.542 2.039 41.939 1.00 50.28 ? 34 ASP A CA 1 ATOM 233 C C . ASP A 1 34 ? 14.277 3.514 41.608 1.00 50.64 ? 34 ASP A C 1 ATOM 234 O O . ASP A 1 34 ? 13.139 3.900 41.323 1.00 51.59 ? 34 ASP A O 1 ATOM 235 C CB . ASP A 1 34 ? 13.348 1.404 42.668 1.00 52.33 ? 34 ASP A CB 1 ATOM 236 C CG . ASP A 1 34 ? 13.091 2.019 44.037 1.00 55.28 ? 34 ASP A CG 1 ATOM 237 O OD1 . ASP A 1 34 ? 13.991 2.692 44.585 1.00 55.86 ? 34 ASP A OD1 1 ATOM 238 O OD2 . ASP A 1 34 ? 11.980 1.823 44.570 1.00 57.56 ? 34 ASP A OD2 1 ATOM 239 N N . LEU A 1 35 ? 15.333 4.327 41.654 1.00 50.21 ? 35 LEU A N 1 ATOM 240 C CA . LEU A 1 35 ? 15.262 5.736 41.265 1.00 50.52 ? 35 LEU A CA 1 ATOM 241 C C . LEU A 1 35 ? 16.063 5.992 39.992 1.00 48.21 ? 35 LEU A C 1 ATOM 242 O O . LEU A 1 35 ? 17.254 5.671 39.921 1.00 47.08 ? 35 LEU A O 1 ATOM 243 C CB . LEU A 1 35 ? 15.769 6.644 42.392 1.00 52.64 ? 35 LEU A CB 1 ATOM 244 C CG . LEU A 1 35 ? 14.999 6.698 43.717 1.00 55.64 ? 35 LEU A CG 1 ATOM 245 C CD1 . LEU A 1 35 ? 15.721 7.592 44.716 1.00 57.52 ? 35 LEU A CD1 1 ATOM 246 C CD2 . LEU A 1 35 ? 13.562 7.171 43.522 1.00 57.03 ? 35 LEU A CD2 1 ATOM 247 N N . GLN A 1 36 ? 15.403 6.565 38.987 1.00 47.83 ? 36 GLN A N 1 ATOM 248 C CA . GLN A 1 36 ? 16.050 6.890 37.716 1.00 45.94 ? 36 GLN A CA 1 ATOM 249 C C . GLN A 1 36 ? 17.015 8.058 37.882 1.00 46.43 ? 36 GLN A C 1 ATOM 250 O O . GLN A 1 36 ? 16.652 9.102 38.429 1.00 48.52 ? 36 GLN A O 1 ATOM 251 C CB . GLN A 1 36 ? 15.010 7.201 36.639 1.00 45.89 ? 36 GLN A CB 1 ATOM 252 C CG . GLN A 1 36 ? 15.610 7.459 35.264 1.00 44.33 ? 36 GLN A CG 1 ATOM 253 C CD . GLN A 1 36 ? 14.572 7.544 34.162 1.00 44.54 ? 36 GLN A CD 1 ATOM 254 O OE1 . GLN A 1 36 ? 13.370 7.446 34.411 1.00 46.15 ? 36 GLN A OE1 1 ATOM 255 N NE2 . GLN A 1 36 ? 15.036 7.722 32.930 1.00 43.27 ? 36 GLN A NE2 1 ATOM 256 N N . THR A 1 37 ? 18.243 7.870 37.411 1.00 44.83 ? 37 THR A N 1 ATOM 257 C CA . THR A 1 37 ? 19.299 8.869 37.567 1.00 45.47 ? 37 THR A CA 1 ATOM 258 C C . THR A 1 37 ? 19.656 9.529 36.236 1.00 44.49 ? 37 THR A C 1 ATOM 259 O O . THR A 1 37 ? 19.834 10.747 36.170 1.00 45.56 ? 37 THR A O 1 ATOM 260 C CB . THR A 1 37 ? 20.566 8.267 38.216 1.00 45.18 ? 37 THR A CB 1 ATOM 261 O OG1 . THR A 1 37 ? 20.916 7.050 37.549 1.00 43.16 ? 37 THR A OG1 1 ATOM 262 C CG2 . THR A 1 37 ? 20.326 7.966 39.679 1.00 46.93 ? 37 THR A CG2 1 ATOM 263 N N . HIS A 1 38 ? 19.742 8.723 35.180 1.00 42.62 ? 38 HIS A N 1 ATOM 264 C CA . HIS A 1 38 ? 20.033 9.233 33.844 1.00 41.84 ? 38 HIS A CA 1 ATOM 265 C C . HIS A 1 38 ? 19.052 8.717 32.790 1.00 41.13 ? 38 HIS A C 1 ATOM 266 O O . HIS A 1 38 ? 18.320 7.753 33.019 1.00 40.75 ? 38 HIS A O 1 ATOM 267 C CB . HIS A 1 38 ? 21.467 8.890 33.428 1.00 40.45 ? 38 HIS A CB 1 ATOM 268 C CG . HIS A 1 38 ? 22.510 9.334 34.405 1.00 41.44 ? 38 HIS A CG 1 ATOM 269 N ND1 . HIS A 1 38 ? 22.807 8.626 35.549 1.00 41.91 ? 38 HIS A ND1 1 ATOM 270 C CD2 . HIS A 1 38 ? 23.338 10.406 34.400 1.00 42.69 ? 38 HIS A CD2 1 ATOM 271 C CE1 . HIS A 1 38 ? 23.767 9.245 36.211 1.00 43.37 ? 38 HIS A CE1 1 ATOM 272 N NE2 . HIS A 1 38 ? 24.107 10.330 35.536 1.00 43.69 ? 38 HIS A NE2 1 ATOM 273 N N . ARG A 1 39 ? 19.050 9.386 31.641 1.00 41.25 ? 39 ARG A N 1 ATOM 274 C CA . ARG A 1 39 ? 18.302 8.975 30.458 1.00 40.84 ? 39 ARG A CA 1 ATOM 275 C C . ARG A 1 39 ? 19.136 9.351 29.242 1.00 40.18 ? 39 ARG A C 1 ATOM 276 O O . ARG A 1 39 ? 19.720 10.436 29.200 1.00 41.10 ? 39 ARG A O 1 ATOM 277 C CB . ARG A 1 39 ? 16.949 9.694 30.392 1.00 42.78 ? 39 ARG A CB 1 ATOM 278 C CG . ARG A 1 39 ? 16.271 9.617 29.024 1.00 43.44 ? 39 ARG A CG 1 ATOM 279 C CD . ARG A 1 39 ? 15.056 10.522 28.891 1.00 46.70 ? 39 ARG A CD 1 ATOM 280 N NE . ARG A 1 39 ? 15.387 11.943 28.851 1.00 49.18 ? 39 ARG A NE 1 ATOM 281 C CZ . ARG A 1 39 ? 14.959 12.844 29.732 1.00 51.70 ? 39 ARG A CZ 1 ATOM 282 N NH1 . ARG A 1 39 ? 14.168 12.484 30.738 1.00 52.61 ? 39 ARG A NH1 1 ATOM 283 N NH2 . ARG A 1 39 ? 15.318 14.116 29.601 1.00 53.37 ? 39 ARG A NH2 1 ATOM 284 N N . TRP A 1 40 ? 19.197 8.461 28.255 1.00 38.88 ? 40 TRP A N 1 ATOM 285 C CA . TRP A 1 40 ? 19.872 8.786 27.004 1.00 38.52 ? 40 TRP A CA 1 ATOM 286 C C . TRP A 1 40 ? 19.089 8.347 25.773 1.00 38.71 ? 40 TRP A C 1 ATOM 287 O O . TRP A 1 40 ? 19.215 7.217 25.306 1.00 37.37 ? 40 TRP A O 1 ATOM 288 C CB . TRP A 1 40 ? 21.310 8.257 26.994 1.00 36.99 ? 40 TRP A CB 1 ATOM 289 C CG . TRP A 1 40 ? 22.169 8.861 25.921 1.00 37.15 ? 40 TRP A CG 1 ATOM 290 C CD1 . TRP A 1 40 ? 21.943 10.027 25.240 1.00 38.68 ? 40 TRP A CD1 1 ATOM 291 C CD2 . TRP A 1 40 ? 23.410 8.345 25.429 1.00 36.23 ? 40 TRP A CD2 1 ATOM 292 N NE1 . TRP A 1 40 ? 22.955 10.255 24.340 1.00 38.68 ? 40 TRP A NE1 1 ATOM 293 C CE2 . TRP A 1 40 ? 23.870 9.239 24.435 1.00 37.09 ? 40 TRP A CE2 1 ATOM 294 C CE3 . TRP A 1 40 ? 24.175 7.207 25.723 1.00 34.84 ? 40 TRP A CE3 1 ATOM 295 C CZ2 . TRP A 1 40 ? 25.061 9.032 23.735 1.00 36.50 ? 40 TRP A CZ2 1 ATOM 296 C CZ3 . TRP A 1 40 ? 25.360 7.001 25.024 1.00 34.22 ? 40 TRP A CZ3 1 ATOM 297 C CH2 . TRP A 1 40 ? 25.789 7.910 24.042 1.00 35.06 ? 40 TRP A CH2 1 ATOM 298 N N . SER A 1 41 ? 18.271 9.263 25.265 1.00 40.83 ? 41 SER A N 1 ATOM 299 C CA . SER A 1 41 ? 17.490 9.045 24.053 1.00 41.97 ? 41 SER A CA 1 ATOM 300 C C . SER A 1 41 ? 18.367 9.050 22.799 1.00 41.88 ? 41 SER A C 1 ATOM 301 O O . SER A 1 41 ? 19.429 9.685 22.764 1.00 41.68 ? 41 SER A O 1 ATOM 302 C CB . SER A 1 41 ? 16.400 10.115 23.940 1.00 44.49 ? 41 SER A CB 1 ATOM 303 O OG . SER A 1 41 ? 15.892 10.208 22.619 1.00 46.00 ? 41 SER A OG 1 ATOM 304 N N . ASN A 1 42 ? 17.904 8.337 21.775 1.00 42.37 ? 42 ASN A N 1 ATOM 305 C CA . ASN A 1 42 ? 18.552 8.309 20.464 1.00 42.72 ? 42 ASN A CA 1 ATOM 306 C C . ASN A 1 42 ? 18.665 9.701 19.829 1.00 44.82 ? 42 ASN A C 1 ATOM 307 O O . ASN A 1 42 ? 19.623 9.985 19.104 1.00 44.89 ? 42 ASN A O 1 ATOM 308 C CB . ASN A 1 42 ? 17.790 7.360 19.535 1.00 43.35 ? 42 ASN A CB 1 ATOM 309 C CG . ASN A 1 42 ? 18.621 6.902 18.358 1.00 43.30 ? 42 ASN A CG 1 ATOM 310 O OD1 . ASN A 1 42 ? 19.263 5.855 18.415 1.00 41.98 ? 42 ASN A OD1 1 ATOM 311 N ND2 . ASN A 1 42 ? 18.614 7.683 17.283 1.00 45.83 ? 42 ASN A ND2 1 ATOM 312 N N . ASP A 1 43 ? 17.685 10.559 20.117 1.00 46.83 ? 43 ASP A N 1 ATOM 313 C CA . ASP A 1 43 ? 17.643 11.933 19.606 1.00 49.34 ? 43 ASP A CA 1 ATOM 314 C C . ASP A 1 43 ? 18.771 12.789 20.175 1.00 48.75 ? 43 ASP A C 1 ATOM 315 O O . ASP A 1 43 ? 19.280 13.689 19.504 1.00 50.25 ? 43 ASP A O 1 ATOM 316 C CB . ASP A 1 43 ? 16.299 12.597 19.942 1.00 51.72 ? 43 ASP A CB 1 ATOM 317 C CG . ASP A 1 43 ? 15.099 11.768 19.509 1.00 53.13 ? 43 ASP A CG 1 ATOM 318 O OD1 . ASP A 1 43 ? 14.253 12.298 18.757 1.00 56.26 ? 43 ASP A OD1 1 ATOM 319 O OD2 . ASP A 1 43 ? 14.994 10.592 19.924 1.00 52.19 ? 43 ASP A OD2 1 ATOM 320 N N . SER A 1 44 ? 19.152 12.502 21.416 1.00 46.98 ? 44 SER A N 1 ATOM 321 C CA . SER A 1 44 ? 20.120 13.315 22.136 1.00 46.81 ? 44 SER A CA 1 ATOM 322 C C . SER A 1 44 ? 21.553 12.885 21.857 1.00 45.08 ? 44 SER A C 1 ATOM 323 O O . SER A 1 44 ? 21.857 11.694 21.815 1.00 43.18 ? 44 SER A O 1 ATOM 324 C CB . SER A 1 44 ? 19.842 13.256 23.638 1.00 46.28 ? 44 SER A CB 1 ATOM 325 O OG . SER A 1 44 ? 20.640 14.195 24.335 1.00 47.12 ? 44 SER A OG 1 ATOM 326 N N . ALA A 1 45 ? 22.426 13.868 21.663 1.00 46.02 ? 45 ALA A N 1 ATOM 327 C CA . ALA A 1 45 ? 23.858 13.617 21.546 1.00 44.84 ? 45 ALA A CA 1 ATOM 328 C C . ALA A 1 45 ? 24.461 13.400 22.933 1.00 43.64 ? 45 ALA A C 1 ATOM 329 O O . ALA A 1 45 ? 25.475 12.719 23.081 1.00 42.26 ? 45 ALA A O 1 ATOM 330 C CB . ALA A 1 45 ? 24.546 14.775 20.841 1.00 46.59 ? 45 ALA A CB 1 ATOM 331 N N . THR A 1 46 ? 23.815 13.975 23.944 1.00 44.49 ? 46 THR A N 1 ATOM 332 C CA . THR A 1 46 ? 24.337 13.972 25.306 1.00 44.05 ? 46 THR A CA 1 ATOM 333 C C . THR A 1 46 ? 23.455 13.176 26.262 1.00 43.04 ? 46 THR A C 1 ATOM 334 O O . THR A 1 46 ? 22.236 13.120 26.092 1.00 43.51 ? 46 THR A O 1 ATOM 335 C CB . THR A 1 46 ? 24.475 15.407 25.844 1.00 46.36 ? 46 THR A CB 1 ATOM 336 O OG1 . THR A 1 46 ? 23.225 16.094 25.698 1.00 48.30 ? 46 THR A OG1 1 ATOM 337 C CG2 . THR A 1 46 ? 25.554 16.165 25.084 1.00 47.38 ? 46 THR A CG2 1 ATOM 338 N N . ILE A 1 47 ? 24.084 12.558 27.260 1.00 41.84 ? 47 ILE A N 1 ATOM 339 C CA . ILE A 1 47 ? 23.366 11.885 28.338 1.00 41.34 ? 47 ILE A CA 1 ATOM 340 C C . ILE A 1 47 ? 22.687 12.949 29.208 1.00 43.33 ? 47 ILE A C 1 ATOM 341 O O . ILE A 1 47 ? 23.275 13.992 29.498 1.00 44.84 ? 47 ILE A O 1 ATOM 342 C CB . ILE A 1 47 ? 24.311 10.995 29.189 1.00 40.15 ? 47 ILE A CB 1 ATOM 343 C CG1 . ILE A 1 47 ? 25.036 9.978 28.301 1.00 38.64 ? 47 ILE A CG1 1 ATOM 344 C CG2 . ILE A 1 47 ? 23.538 10.259 30.283 1.00 40.08 ? 47 ILE A CG2 1 ATOM 345 C CD1 . ILE A 1 47 ? 26.292 9.375 28.924 1.00 38.09 ? 47 ILE A CD1 1 ATOM 346 N N . SER A 1 48 ? 21.443 12.684 29.598 1.00 43.61 ? 48 SER A N 1 ATOM 347 C CA . SER A 1 48 ? 20.658 13.617 30.397 1.00 45.68 ? 48 SER A CA 1 ATOM 348 C C . SER A 1 48 ? 20.647 13.216 31.866 1.00 45.83 ? 48 SER A C 1 ATOM 349 O O . SER A 1 48 ? 20.704 12.027 32.194 1.00 44.39 ? 48 SER A O 1 ATOM 350 C CB . SER A 1 48 ? 19.221 13.682 29.879 1.00 46.53 ? 48 SER A CB 1 ATOM 351 O OG . SER A 1 48 ? 19.189 13.748 28.466 1.00 46.62 ? 48 SER A OG 1 ATOM 352 N N . PHE A 1 49 ? 20.576 14.218 32.741 1.00 47.81 ? 49 PHE A N 1 ATOM 353 C CA . PHE A 1 49 ? 20.408 14.002 34.174 1.00 48.55 ? 49 PHE A CA 1 ATOM 354 C C . PHE A 1 49 ? 18.927 14.052 34.538 1.00 49.72 ? 49 PHE A C 1 ATOM 355 O O . PHE A 1 49 ? 18.206 14.940 34.087 1.00 51.26 ? 49 PHE A O 1 ATOM 356 C CB . PHE A 1 49 ? 21.162 15.065 34.977 1.00 50.45 ? 49 PHE A CB 1 ATOM 357 C CG . PHE A 1 49 ? 22.636 15.124 34.692 1.00 49.83 ? 49 PHE A CG 1 ATOM 358 C CD1 . PHE A 1 49 ? 23.460 14.036 34.959 1.00 48.59 ? 49 PHE A CD1 1 ATOM 359 C CD2 . PHE A 1 49 ? 23.207 16.282 34.184 1.00 51.21 ? 49 PHE A CD2 1 ATOM 360 C CE1 . PHE A 1 49 ? 24.826 14.097 34.712 1.00 48.30 ? 49 PHE A CE1 1 ATOM 361 C CE2 . PHE A 1 49 ? 24.573 16.354 33.934 1.00 50.95 ? 49 PHE A CE2 1 ATOM 362 C CZ . PHE A 1 49 ? 25.382 15.256 34.198 1.00 49.46 ? 49 PHE A CZ 1 ATOM 363 N N . THR A 1 50 ? 18.477 13.099 35.349 1.00 49.39 ? 50 THR A N 1 ATOM 364 C CA . THR A 1 50 ? 17.086 13.078 35.808 1.00 50.74 ? 50 THR A CA 1 ATOM 365 C C . THR A 1 50 ? 16.978 13.281 37.324 1.00 52.67 ? 50 THR A C 1 ATOM 366 O O . THR A 1 50 ? 15.882 13.237 37.892 1.00 54.08 ? 50 THR A O 1 ATOM 367 C CB . THR A 1 50 ? 16.354 11.789 35.383 1.00 49.25 ? 50 THR A CB 1 ATOM 368 O OG1 . THR A 1 50 ? 17.004 10.655 35.962 1.00 47.82 ? 50 THR A OG1 1 ATOM 369 C CG2 . THR A 1 50 ? 16.342 11.647 33.862 1.00 47.91 ? 50 THR A CG2 1 ATOM 370 N N . LYS A 1 51 ? 18.125 13.494 37.966 1.00 52.95 ? 51 LYS A N 1 ATOM 371 C CA . LYS A 1 51 ? 18.187 13.936 39.360 1.00 55.34 ? 51 LYS A CA 1 ATOM 372 C C . LYS A 1 51 ? 19.217 15.058 39.479 1.00 56.58 ? 51 LYS A C 1 ATOM 373 O O . LYS A 1 51 ? 20.202 15.064 38.740 1.00 55.38 ? 51 LYS A O 1 ATOM 374 C CB . LYS A 1 51 ? 18.568 12.783 40.298 1.00 54.91 ? 51 LYS A CB 1 ATOM 375 C CG . LYS A 1 51 ? 17.509 11.708 40.464 1.00 54.27 ? 51 LYS A CG 1 ATOM 376 C CD . LYS A 1 51 ? 16.311 12.210 41.247 1.00 56.90 ? 51 LYS A CD 1 ATOM 377 C CE . LYS A 1 51 ? 15.152 11.234 41.149 1.00 56.86 ? 51 LYS A CE 1 ATOM 378 N NZ . LYS A 1 51 ? 14.648 11.074 39.750 1.00 55.43 ? 51 LYS A NZ 1 ATOM 379 N N . PRO A 1 52 ? 18.995 16.010 40.404 1.00 59.28 ? 52 PRO A N 1 ATOM 380 C CA . PRO A 1 52 ? 19.962 17.074 40.683 1.00 60.94 ? 52 PRO A CA 1 ATOM 381 C C . PRO A 1 52 ? 21.366 16.585 41.060 1.00 60.23 ? 52 PRO A C 1 ATOM 382 O O . PRO A 1 52 ? 22.322 17.350 40.965 1.00 61.30 ? 52 PRO A O 1 ATOM 383 C CB . PRO A 1 52 ? 19.334 17.804 41.872 1.00 64.25 ? 52 PRO A CB 1 ATOM 384 C CG . PRO A 1 52 ? 17.884 17.625 41.679 1.00 64.45 ? 52 PRO A CG 1 ATOM 385 C CD . PRO A 1 52 ? 17.722 16.238 41.112 1.00 61.38 ? 52 PRO A CD 1 ATOM 386 N N . TRP A 1 53 ? 21.484 15.326 41.473 1.00 58.75 ? 53 TRP A N 1 ATOM 387 C CA . TRP A 1 53 ? 22.755 14.767 41.945 1.00 58.43 ? 53 TRP A CA 1 ATOM 388 C C . TRP A 1 53 ? 23.310 13.660 41.037 1.00 55.28 ? 53 TRP A C 1 ATOM 389 O O . TRP A 1 53 ? 24.236 12.936 41.417 1.00 55.01 ? 53 TRP A O 1 ATOM 390 C CB . TRP A 1 53 ? 22.593 14.246 43.379 1.00 60.28 ? 53 TRP A CB 1 ATOM 391 C CG . TRP A 1 53 ? 21.314 13.482 43.606 1.00 59.34 ? 53 TRP A CG 1 ATOM 392 C CD1 . TRP A 1 53 ? 20.148 13.975 44.111 1.00 60.79 ? 53 TRP A CD1 1 ATOM 393 C CD2 . TRP A 1 53 ? 21.074 12.094 43.324 1.00 56.75 ? 53 TRP A CD2 1 ATOM 394 N NE1 . TRP A 1 53 ? 19.197 12.984 44.168 1.00 59.81 ? 53 TRP A NE1 1 ATOM 395 C CE2 . TRP A 1 53 ? 19.738 11.820 43.692 1.00 57.17 ? 53 TRP A CE2 1 ATOM 396 C CE3 . TRP A 1 53 ? 21.859 11.056 42.802 1.00 54.12 ? 53 TRP A CE3 1 ATOM 397 C CZ2 . TRP A 1 53 ? 19.167 10.552 43.554 1.00 55.45 ? 53 TRP A CZ2 1 ATOM 398 C CZ3 . TRP A 1 53 ? 21.292 9.796 42.666 1.00 52.42 ? 53 TRP A CZ3 1 ATOM 399 C CH2 . TRP A 1 53 ? 19.958 9.556 43.040 1.00 53.24 ? 53 TRP A CH2 1 ATOM 400 N N . SER A 1 54 ? 22.758 13.550 39.831 1.00 53.11 ? 54 SER A N 1 ATOM 401 C CA . SER A 1 54 ? 23.099 12.468 38.906 1.00 50.17 ? 54 SER A CA 1 ATOM 402 C C . SER A 1 54 ? 24.566 12.428 38.467 1.00 49.37 ? 54 SER A C 1 ATOM 403 O O . SER A 1 54 ? 25.070 11.373 38.089 1.00 47.60 ? 54 SER A O 1 ATOM 404 C CB . SER A 1 54 ? 22.188 12.509 37.679 1.00 48.70 ? 54 SER A CB 1 ATOM 405 O OG . SER A 1 54 ? 20.824 12.431 38.053 1.00 49.45 ? 54 SER A OG 1 ATOM 406 N N . GLN A 1 55 ? 25.247 13.569 38.519 1.00 51.00 ? 55 GLN A N 1 ATOM 407 C CA . GLN A 1 55 ? 26.664 13.633 38.149 1.00 50.71 ? 55 GLN A CA 1 ATOM 408 C C . GLN A 1 55 ? 27.564 13.040 39.242 1.00 51.95 ? 55 GLN A C 1 ATOM 409 O O . GLN A 1 55 ? 28.760 12.816 39.021 1.00 51.80 ? 55 GLN A O 1 ATOM 410 C CB . GLN A 1 55 ? 27.081 15.073 37.815 1.00 52.39 ? 55 GLN A CB 1 ATOM 411 C CG . GLN A 1 55 ? 28.341 15.178 36.954 1.00 50.82 ? 55 GLN A CG 1 ATOM 412 C CD . GLN A 1 55 ? 28.739 16.608 36.639 1.00 51.46 ? 55 GLN A CD 1 ATOM 413 O OE1 . GLN A 1 55 ? 27.915 17.418 36.218 1.00 51.19 ? 55 GLN A OE1 1 ATOM 414 N NE2 . GLN A 1 55 ? 30.015 16.918 36.825 1.00 52.46 ? 55 GLN A NE2 1 ATOM 415 N N . GLY A 1 56 ? 26.981 12.781 40.412 1.00 53.36 ? 56 GLY A N 1 ATOM 416 C CA . GLY A 1 56 ? 27.709 12.189 41.531 1.00 55.05 ? 56 GLY A CA 1 ATOM 417 C C . GLY A 1 56 ? 28.742 13.134 42.107 1.00 58.05 ? 56 GLY A C 1 ATOM 418 O O . GLY A 1 56 ? 28.485 14.331 42.257 1.00 59.90 ? 56 GLY A O 1 ATOM 419 N N . LYS A 1 57 ? 29.914 12.595 42.428 1.00 58.81 ? 57 LYS A N 1 ATOM 420 C CA . LYS A 1 57 ? 31.010 13.401 42.964 1.00 61.92 ? 57 LYS A CA 1 ATOM 421 C C . LYS A 1 57 ? 32.064 13.694 41.899 1.00 60.99 ? 57 LYS A C 1 ATOM 422 O O . LYS A 1 57 ? 33.136 14.224 42.202 1.00 63.36 ? 57 LYS A O 1 ATOM 423 C CB . LYS A 1 57 ? 31.641 12.723 44.188 1.00 64.28 ? 57 LYS A CB 1 ATOM 424 C CG . LYS A 1 57 ? 30.768 12.732 45.443 1.00 66.74 ? 57 LYS A CG 1 ATOM 425 C CD . LYS A 1 57 ? 30.636 14.128 46.054 1.00 70.12 ? 57 LYS A CD 1 ATOM 426 C CE . LYS A 1 57 ? 29.762 14.104 47.299 1.00 72.45 ? 57 LYS A CE 1 ATOM 427 N NZ . LYS A 1 57 ? 29.508 15.470 47.834 1.00 75.79 ? 57 LYS A NZ 1 ATOM 428 N N . LEU A 1 58 ? 31.744 13.353 40.652 1.00 57.85 ? 58 LEU A N 1 ATOM 429 C CA . LEU A 1 58 ? 32.628 13.601 39.516 1.00 56.91 ? 58 LEU A CA 1 ATOM 430 C C . LEU A 1 58 ? 32.681 15.081 39.147 1.00 58.53 ? 58 LEU A C 1 ATOM 431 O O . LEU A 1 58 ? 31.679 15.793 39.244 1.00 59.06 ? 58 LEU A O 1 ATOM 432 C CB . LEU A 1 58 ? 32.172 12.800 38.295 1.00 53.32 ? 58 LEU A CB 1 ATOM 433 C CG . LEU A 1 58 ? 32.330 11.279 38.261 1.00 51.46 ? 58 LEU A CG 1 ATOM 434 C CD1 . LEU A 1 58 ? 31.567 10.729 37.074 1.00 48.21 ? 58 LEU A CD1 1 ATOM 435 C CD2 . LEU A 1 58 ? 33.794 10.870 38.186 1.00 52.32 ? 58 LEU A CD2 1 ATOM 436 N N . SER A 1 59 ? 33.854 15.533 38.719 1.00 59.50 ? 59 SER A N 1 ATOM 437 C CA . SER A 1 59 ? 34.017 16.891 38.223 1.00 61.05 ? 59 SER A CA 1 ATOM 438 C C . SER A 1 59 ? 33.451 16.997 36.812 1.00 58.50 ? 59 SER A C 1 ATOM 439 O O . SER A 1 59 ? 33.211 15.981 36.156 1.00 55.65 ? 59 SER A O 1 ATOM 440 C CB . SER A 1 59 ? 35.493 17.289 38.236 1.00 63.37 ? 59 SER A CB 1 ATOM 441 O OG . SER A 1 59 ? 36.249 16.484 37.348 1.00 61.34 ? 59 SER A OG 1 ATOM 442 N N . ASN A 1 60 ? 33.240 18.228 36.352 1.00 59.92 ? 60 ASN A N 1 ATOM 443 C CA . ASN A 1 60 ? 32.726 18.483 35.007 1.00 58.23 ? 60 ASN A CA 1 ATOM 444 C C . ASN A 1 60 ? 33.625 17.939 33.899 1.00 56.71 ? 60 ASN A C 1 ATOM 445 O O . ASN A 1 60 ? 33.135 17.450 32.882 1.00 54.41 ? 60 ASN A O 1 ATOM 446 C CB . ASN A 1 60 ? 32.460 19.976 34.805 1.00 60.59 ? 60 ASN A CB 1 ATOM 447 C CG . ASN A 1 60 ? 31.176 20.432 35.469 1.00 61.24 ? 60 ASN A CG 1 ATOM 448 O OD1 . ASN A 1 60 ? 30.187 19.701 35.506 1.00 58.91 ? 60 ASN A OD1 1 ATOM 449 N ND2 . ASN A 1 60 ? 31.184 21.649 35.993 1.00 64.51 ? 60 ASN A ND2 1 ATOM 450 N N . GLN A 1 61 ? 34.935 18.025 34.109 1.00 58.41 ? 61 GLN A N 1 ATOM 451 C CA . GLN A 1 61 ? 35.907 17.473 33.175 1.00 57.39 ? 61 GLN A CA 1 ATOM 452 C C . GLN A 1 61 ? 35.867 15.950 33.210 1.00 54.68 ? 61 GLN A C 1 ATOM 453 O O . GLN A 1 61 ? 36.035 15.301 32.181 1.00 52.65 ? 61 GLN A O 1 ATOM 454 C CB . GLN A 1 61 ? 37.315 17.972 33.501 1.00 60.34 ? 61 GLN A CB 1 ATOM 455 C CG . GLN A 1 61 ? 38.271 17.974 32.314 1.00 60.58 ? 61 GLN A CG 1 ATOM 456 C CD . GLN A 1 61 ? 39.695 18.322 32.714 1.00 64.52 ? 61 GLN A CD 1 ATOM 457 O OE1 . GLN A 1 61 ? 40.459 17.458 33.151 1.00 64.83 ? 61 GLN A OE1 1 ATOM 458 N NE2 . GLN A 1 61 ? 40.062 19.593 32.561 1.00 67.16 ? 61 GLN A NE2 1 ATOM 459 N N . GLN A 1 62 ? 35.643 15.390 34.397 1.00 55.01 ? 62 GLN A N 1 ATOM 460 C CA . GLN A 1 62 ? 35.530 13.941 34.558 1.00 52.96 ? 62 GLN A CA 1 ATOM 461 C C . GLN A 1 62 ? 34.278 13.390 33.879 1.00 50.12 ? 62 GLN A C 1 ATOM 462 O O . GLN A 1 62 ? 34.342 12.359 33.205 1.00 48.02 ? 62 GLN A O 1 ATOM 463 C CB . GLN A 1 62 ? 35.564 13.539 36.036 1.00 54.54 ? 62 GLN A CB 1 ATOM 464 C CG . GLN A 1 62 ? 36.971 13.467 36.630 1.00 57.22 ? 62 GLN A CG 1 ATOM 465 C CD . GLN A 1 62 ? 36.985 13.291 38.144 1.00 59.85 ? 62 GLN A CD 1 ATOM 466 O OE1 . GLN A 1 62 ? 35.982 13.516 38.825 1.00 60.37 ? 62 GLN A OE1 1 ATOM 467 N NE2 . GLN A 1 62 ? 38.134 12.892 38.676 1.00 61.97 ? 62 GLN A NE2 1 ATOM 468 N N . TRP A 1 63 ? 33.149 14.081 34.049 1.00 50.32 ? 63 TRP A N 1 ATOM 469 C CA . TRP A 1 63 ? 31.899 13.665 33.417 1.00 48.02 ? 63 TRP A CA 1 ATOM 470 C C . TRP A 1 63 ? 31.996 13.702 31.896 1.00 46.79 ? 63 TRP A C 1 ATOM 471 O O . TRP A 1 63 ? 31.652 12.725 31.230 1.00 44.77 ? 63 TRP A O 1 ATOM 472 C CB . TRP A 1 63 ? 30.711 14.504 33.895 1.00 49.01 ? 63 TRP A CB 1 ATOM 473 C CG . TRP A 1 63 ? 29.426 14.142 33.195 1.00 46.78 ? 63 TRP A CG 1 ATOM 474 C CD1 . TRP A 1 63 ? 28.771 14.880 32.252 1.00 46.73 ? 63 TRP A CD1 1 ATOM 475 C CD2 . TRP A 1 63 ? 28.660 12.943 33.367 1.00 44.64 ? 63 TRP A CD2 1 ATOM 476 N NE1 . TRP A 1 63 ? 27.640 14.222 31.832 1.00 44.90 ? 63 TRP A NE1 1 ATOM 477 C CE2 . TRP A 1 63 ? 27.548 13.030 32.500 1.00 43.74 ? 63 TRP A CE2 1 ATOM 478 C CE3 . TRP A 1 63 ? 28.802 11.806 34.174 1.00 44.06 ? 63 TRP A CE3 1 ATOM 479 C CZ2 . TRP A 1 63 ? 26.583 12.020 32.414 1.00 42.07 ? 63 TRP A CZ2 1 ATOM 480 C CZ3 . TRP A 1 63 ? 27.841 10.801 34.086 1.00 42.34 ? 63 TRP A CZ3 1 ATOM 481 C CH2 . TRP A 1 63 ? 26.747 10.918 33.212 1.00 41.28 ? 63 TRP A CH2 1 ATOM 482 N N . GLU A 1 64 ? 32.469 14.823 31.354 1.00 48.37 ? 64 GLU A N 1 ATOM 483 C CA . GLU A 1 64 ? 32.605 14.984 29.907 1.00 47.67 ? 64 GLU A CA 1 ATOM 484 C C . GLU A 1 64 ? 33.439 13.867 29.279 1.00 46.13 ? 64 GLU A C 1 ATOM 485 O O . GLU A 1 64 ? 33.073 13.333 28.231 1.00 44.54 ? 64 GLU A O 1 ATOM 486 C CB . GLU A 1 64 ? 33.185 16.356 29.560 1.00 50.03 ? 64 GLU A CB 1 ATOM 487 C CG . GLU A 1 64 ? 32.175 17.492 29.635 1.00 51.71 ? 64 GLU A CG 1 ATOM 488 N N . LYS A 1 65 ? 34.546 13.512 29.931 1.00 46.97 ? 65 LYS A N 1 ATOM 489 C CA . LYS A 1 65 ? 35.420 12.441 29.458 1.00 45.99 ? 65 LYS A CA 1 ATOM 490 C C . LYS A 1 65 ? 34.677 11.105 29.449 1.00 43.73 ? 65 LYS A C 1 ATOM 491 O O . LYS A 1 65 ? 34.830 10.306 28.519 1.00 42.33 ? 65 LYS A O 1 ATOM 492 C CB . LYS A 1 65 ? 36.687 12.352 30.315 1.00 47.71 ? 65 LYS A CB 1 ATOM 493 C CG . LYS A 1 65 ? 37.780 11.463 29.727 1.00 47.52 ? 65 LYS A CG 1 ATOM 494 C CD . LYS A 1 65 ? 39.147 11.795 30.315 1.00 50.69 ? 65 LYS A CD 1 ATOM 495 N N . LEU A 1 66 ? 33.863 10.882 30.479 1.00 43.68 ? 66 LEU A N 1 ATOM 496 C CA . LEU A 1 66 ? 33.049 9.677 30.581 1.00 41.74 ? 66 LEU A CA 1 ATOM 497 C C . LEU A 1 66 ? 31.934 9.658 29.533 1.00 40.45 ? 66 LEU A C 1 ATOM 498 O O . LEU A 1 66 ? 31.618 8.602 28.986 1.00 38.87 ? 66 LEU A O 1 ATOM 499 C CB . LEU A 1 66 ? 32.465 9.545 31.989 1.00 42.35 ? 66 LEU A CB 1 ATOM 500 C CG . LEU A 1 66 ? 31.740 8.249 32.358 1.00 40.69 ? 66 LEU A CG 1 ATOM 501 C CD1 . LEU A 1 66 ? 32.706 7.069 32.446 1.00 39.66 ? 66 LEU A CD1 1 ATOM 502 C CD2 . LEU A 1 66 ? 30.996 8.439 33.669 1.00 41.82 ? 66 LEU A CD2 1 ATOM 503 N N . GLN A 1 67 ? 31.347 10.823 29.256 1.00 41.51 ? 67 GLN A N 1 ATOM 504 C CA . GLN A 1 67 ? 30.284 10.924 28.257 1.00 40.85 ? 67 GLN A CA 1 ATOM 505 C C . GLN A 1 67 ? 30.809 10.700 26.846 1.00 40.28 ? 67 GLN A C 1 ATOM 506 O O . GLN A 1 67 ? 30.177 10.007 26.050 1.00 39.03 ? 67 GLN A O 1 ATOM 507 C CB . GLN A 1 67 ? 29.566 12.272 28.331 1.00 42.49 ? 67 GLN A CB 1 ATOM 508 C CG . GLN A 1 67 ? 28.343 12.351 27.416 1.00 42.20 ? 67 GLN A CG 1 ATOM 509 C CD . GLN A 1 67 ? 27.609 13.670 27.512 1.00 44.48 ? 67 GLN A CD 1 ATOM 510 O OE1 . GLN A 1 67 ? 26.478 13.727 28.000 1.00 45.01 ? 67 GLN A OE1 1 ATOM 511 N NE2 . GLN A 1 67 ? 28.247 14.742 27.050 1.00 45.83 ? 67 GLN A NE2 1 ATOM 512 N N . HIS A 1 68 ? 31.963 11.293 26.550 1.00 41.64 ? 68 HIS A N 1 ATOM 513 C CA . HIS A 1 68 ? 32.570 11.209 25.224 1.00 41.83 ? 68 HIS A CA 1 ATOM 514 C C . HIS A 1 68 ? 32.764 9.765 24.764 1.00 40.06 ? 68 HIS A C 1 ATOM 515 O O . HIS A 1 68 ? 32.479 9.434 23.612 1.00 39.53 ? 68 HIS A O 1 ATOM 516 C CB . HIS A 1 68 ? 33.904 11.956 25.198 1.00 43.67 ? 68 HIS A CB 1 ATOM 517 C CG . HIS A 1 68 ? 34.549 11.993 23.848 1.00 44.71 ? 68 HIS A CG 1 ATOM 518 N ND1 . HIS A 1 68 ? 35.459 11.044 23.432 1.00 44.61 ? 68 HIS A ND1 1 ATOM 519 C CD2 . HIS A 1 68 ? 34.420 12.866 22.820 1.00 46.67 ? 68 HIS A CD2 1 ATOM 520 C CE1 . HIS A 1 68 ? 35.861 11.330 22.206 1.00 45.66 ? 68 HIS A CE1 1 ATOM 521 N NE2 . HIS A 1 68 ? 35.247 12.432 21.813 1.00 46.99 ? 68 HIS A NE2 1 ATOM 522 N N . MET A 1 69 ? 33.234 8.908 25.665 1.00 39.52 ? 69 MET A N 1 ATOM 523 C CA . MET A 1 69 ? 33.470 7.514 25.315 1.00 38.18 ? 69 MET A CA 1 ATOM 524 C C . MET A 1 69 ? 32.167 6.734 25.129 1.00 36.54 ? 69 MET A C 1 ATOM 525 O O . MET A 1 69 ? 32.135 5.760 24.379 1.00 35.81 ? 69 MET A O 1 ATOM 526 C CB . MET A 1 69 ? 34.414 6.821 26.309 1.00 38.56 ? 69 MET A CB 1 ATOM 527 C CG . MET A 1 69 ? 33.835 6.579 27.676 1.00 39.58 ? 69 MET A CG 1 ATOM 528 S SD . MET A 1 69 ? 34.077 4.870 28.195 1.00 41.30 ? 69 MET A SD 1 ATOM 529 C CE . MET A 1 69 ? 32.511 4.598 29.017 1.00 39.71 ? 69 MET A CE 1 ATOM 530 N N . PHE A 1 70 ? 31.100 7.168 25.798 1.00 36.34 ? 70 PHE A N 1 ATOM 531 C CA . PHE A 1 70 ? 29.777 6.582 25.584 1.00 35.07 ? 70 PHE A CA 1 ATOM 532 C C . PHE A 1 70 ? 29.185 7.015 24.247 1.00 35.01 ? 70 PHE A C 1 ATOM 533 O O . PHE A 1 70 ? 28.551 6.222 23.550 1.00 34.26 ? 70 PHE A O 1 ATOM 534 C CB . PHE A 1 70 ? 28.824 6.926 26.729 1.00 35.50 ? 70 PHE A CB 1 ATOM 535 C CG . PHE A 1 70 ? 28.929 5.995 27.901 1.00 35.33 ? 70 PHE A CG 1 ATOM 536 C CD1 . PHE A 1 70 ? 28.746 4.623 27.736 1.00 34.24 ? 70 PHE A CD1 1 ATOM 537 C CD2 . PHE A 1 70 ? 29.205 6.485 29.170 1.00 36.59 ? 70 PHE A CD2 1 ATOM 538 C CE1 . PHE A 1 70 ? 28.844 3.757 28.815 1.00 34.29 ? 70 PHE A CE1 1 ATOM 539 C CE2 . PHE A 1 70 ? 29.301 5.626 30.256 1.00 36.70 ? 70 PHE A CE2 1 ATOM 540 C CZ . PHE A 1 70 ? 29.119 4.259 30.078 1.00 35.43 ? 70 PHE A CZ 1 ATOM 541 N N . GLN A 1 71 ? 29.402 8.278 23.898 1.00 36.04 ? 71 GLN A N 1 ATOM 542 C CA . GLN A 1 71 ? 29.001 8.800 22.600 1.00 36.45 ? 71 GLN A CA 1 ATOM 543 C C . GLN A 1 71 ? 29.677 8.021 21.474 1.00 35.61 ? 71 GLN A C 1 ATOM 544 O O . GLN A 1 71 ? 29.008 7.582 20.536 1.00 35.42 ? 71 GLN A O 1 ATOM 545 C CB . GLN A 1 71 ? 29.319 10.291 22.504 1.00 38.27 ? 71 GLN A CB 1 ATOM 546 C CG . GLN A 1 71 ? 28.466 11.151 23.417 1.00 39.23 ? 71 GLN A CG 1 ATOM 547 C CD . GLN A 1 71 ? 28.921 12.587 23.455 1.00 41.57 ? 71 GLN A CD 1 ATOM 548 O OE1 . GLN A 1 71 ? 30.105 12.880 23.289 1.00 42.91 ? 71 GLN A OE1 1 ATOM 549 N NE2 . GLN A 1 71 ? 27.984 13.497 23.683 1.00 42.76 ? 71 GLN A NE2 1 ATOM 550 N N . VAL A 1 72 ? 30.993 7.840 21.593 1.00 35.10 ? 72 VAL A N 1 ATOM 551 C CA . VAL A 1 72 ? 31.772 7.030 20.655 1.00 34.43 ? 72 VAL A CA 1 ATOM 552 C C . VAL A 1 72 ? 31.294 5.575 20.672 1.00 33.00 ? 72 VAL A C 1 ATOM 553 O O . VAL A 1 72 ? 31.231 4.926 19.625 1.00 32.82 ? 72 VAL A O 1 ATOM 554 C CB . VAL A 1 72 ? 33.296 7.103 20.959 1.00 34.80 ? 72 VAL A CB 1 ATOM 555 C CG1 . VAL A 1 72 ? 34.074 6.085 20.140 1.00 33.89 ? 72 VAL A CG1 1 ATOM 556 C CG2 . VAL A 1 72 ? 33.834 8.502 20.704 1.00 36.31 ? 72 VAL A CG2 1 ATOM 557 N N . TYR A 1 73 ? 30.945 5.077 21.857 1.00 32.10 ? 73 TYR A N 1 ATOM 558 C CA . TYR A 1 73 ? 30.435 3.715 22.002 1.00 30.96 ? 73 TYR A CA 1 ATOM 559 C C . TYR A 1 73 ? 29.149 3.457 21.202 1.00 30.89 ? 73 TYR A C 1 ATOM 560 O O . TYR A 1 73 ? 29.079 2.480 20.460 1.00 30.61 ? 73 TYR A O 1 ATOM 561 C CB . TYR A 1 73 ? 30.237 3.349 23.480 1.00 30.43 ? 73 TYR A CB 1 ATOM 562 C CG . TYR A 1 73 ? 29.310 2.175 23.701 1.00 29.86 ? 73 TYR A CG 1 ATOM 563 C CD1 . TYR A 1 73 ? 29.683 0.881 23.324 1.00 29.55 ? 73 TYR A CD1 1 ATOM 564 C CD2 . TYR A 1 73 ? 28.056 2.356 24.284 1.00 30.20 ? 73 TYR A CD2 1 ATOM 565 C CE1 . TYR A 1 73 ? 28.828 -0.202 23.522 1.00 29.14 ? 73 TYR A CE1 1 ATOM 566 C CE2 . TYR A 1 73 ? 27.193 1.278 24.488 1.00 29.76 ? 73 TYR A CE2 1 ATOM 567 C CZ . TYR A 1 73 ? 27.586 0.005 24.105 1.00 29.14 ? 73 TYR A CZ 1 ATOM 568 O OH . TYR A 1 73 ? 26.739 -1.060 24.302 1.00 29.04 ? 73 TYR A OH 1 ATOM 569 N N . ARG A 1 74 ? 28.146 4.324 21.357 1.00 31.40 ? 74 ARG A N 1 ATOM 570 C CA . ARG A 1 74 ? 26.851 4.147 20.692 1.00 31.57 ? 74 ARG A CA 1 ATOM 571 C C . ARG A 1 74 ? 26.985 4.067 19.168 1.00 32.18 ? 74 ARG A C 1 ATOM 572 O O . ARG A 1 74 ? 26.388 3.195 18.532 1.00 32.23 ? 74 ARG A O 1 ATOM 573 C CB . ARG A 1 74 ? 25.873 5.258 21.097 1.00 32.61 ? 74 ARG A CB 1 ATOM 574 C CG . ARG A 1 74 ? 24.454 5.088 20.539 1.00 33.54 ? 74 ARG A CG 1 ATOM 575 C CD . ARG A 1 74 ? 23.469 6.113 21.100 1.00 34.74 ? 74 ARG A CD 1 ATOM 576 N NE . ARG A 1 74 ? 23.800 7.482 20.707 1.00 36.36 ? 74 ARG A NE 1 ATOM 577 C CZ . ARG A 1 74 ? 23.045 8.549 20.964 1.00 38.07 ? 74 ARG A CZ 1 ATOM 578 N NH1 . ARG A 1 74 ? 21.897 8.427 21.622 1.00 38.35 ? 74 ARG A NH1 1 ATOM 579 N NH2 . ARG A 1 74 ? 23.445 9.748 20.562 1.00 39.40 ? 74 ARG A NH2 1 ATOM 580 N N . VAL A 1 75 ? 27.777 4.973 18.600 1.00 32.81 ? 75 VAL A N 1 ATOM 581 C CA . VAL A 1 75 ? 28.035 5.007 17.162 1.00 33.55 ? 75 VAL A CA 1 ATOM 582 C C . VAL A 1 75 ? 28.731 3.717 16.724 1.00 32.59 ? 75 VAL A C 1 ATOM 583 O O . VAL A 1 75 ? 28.355 3.105 15.723 1.00 33.05 ? 75 VAL A O 1 ATOM 584 C CB . VAL A 1 75 ? 28.865 6.274 16.758 1.00 34.86 ? 75 VAL A CB 1 ATOM 585 C CG1 . VAL A 1 75 ? 29.508 6.117 15.383 1.00 36.06 ? 75 VAL A CG1 1 ATOM 586 C CG2 . VAL A 1 75 ? 27.999 7.522 16.785 1.00 35.83 ? 75 VAL A CG2 1 ATOM 587 N N . SER A 1 76 ? 29.728 3.302 17.495 1.00 31.46 ? 76 SER A N 1 ATOM 588 C CA . SER A 1 76 ? 30.505 2.119 17.165 1.00 30.98 ? 76 SER A CA 1 ATOM 589 C C . SER A 1 76 ? 29.708 0.838 17.343 1.00 30.15 ? 76 SER A C 1 ATOM 590 O O . SER A 1 76 ? 29.811 -0.075 16.525 1.00 30.54 ? 76 SER A O 1 ATOM 591 C CB . SER A 1 76 ? 31.782 2.066 17.994 1.00 30.50 ? 76 SER A CB 1 ATOM 592 O OG . SER A 1 76 ? 32.626 3.160 17.690 1.00 31.71 ? 76 SER A OG 1 ATOM 593 N N . PHE A 1 77 ? 28.916 0.781 18.409 1.00 29.47 ? 77 PHE A N 1 ATOM 594 C CA . PHE A 1 77 ? 28.032 -0.350 18.675 1.00 28.94 ? 77 PHE A CA 1 ATOM 595 C C . PHE A 1 77 ? 27.059 -0.577 17.519 1.00 29.92 ? 77 PHE A C 1 ATOM 596 O O . PHE A 1 77 ? 26.836 -1.714 17.101 1.00 29.99 ? 77 PHE A O 1 ATOM 597 C CB . PHE A 1 77 ? 27.259 -0.127 19.978 1.00 28.39 ? 77 PHE A CB 1 ATOM 598 C CG . PHE A 1 77 ? 26.150 -1.117 20.209 1.00 28.05 ? 77 PHE A CG 1 ATOM 599 C CD1 . PHE A 1 77 ? 24.840 -0.808 19.856 1.00 28.33 ? 77 PHE A CD1 1 ATOM 600 C CD2 . PHE A 1 77 ? 26.414 -2.356 20.784 1.00 27.17 ? 77 PHE A CD2 1 ATOM 601 C CE1 . PHE A 1 77 ? 23.817 -1.716 20.068 1.00 28.38 ? 77 PHE A CE1 1 ATOM 602 C CE2 . PHE A 1 77 ? 25.391 -3.269 21.005 1.00 26.80 ? 77 PHE A CE2 1 ATOM 603 C CZ . PHE A 1 77 ? 24.091 -2.947 20.645 1.00 27.57 ? 77 PHE A CZ 1 ATOM 604 N N . THR A 1 78 ? 26.484 0.512 17.016 1.00 30.91 ? 78 THR A N 1 ATOM 605 C CA . THR A 1 78 ? 25.537 0.443 15.916 1.00 32.29 ? 78 THR A CA 1 ATOM 606 C C . THR A 1 78 ? 26.197 -0.202 14.703 1.00 32.97 ? 78 THR A C 1 ATOM 607 O O . THR A 1 78 ? 25.614 -1.087 14.074 1.00 33.71 ? 78 THR A O 1 ATOM 608 C CB . THR A 1 78 ? 24.983 1.839 15.550 1.00 33.71 ? 78 THR A CB 1 ATOM 609 O OG1 . THR A 1 78 ? 24.465 2.470 16.725 1.00 33.03 ? 78 THR A OG1 1 ATOM 610 C CG2 . THR A 1 78 ? 23.869 1.732 14.508 1.00 35.53 ? 78 THR A CG2 1 ATOM 611 N N . ARG A 1 79 ? 27.418 0.226 14.393 1.00 32.94 ? 79 ARG A N 1 ATOM 612 C CA . ARG A 1 79 ? 28.104 -0.280 13.216 1.00 33.81 ? 79 ARG A CA 1 ATOM 613 C C . ARG A 1 79 ? 28.550 -1.726 13.392 1.00 33.10 ? 79 ARG A C 1 ATOM 614 O O . ARG A 1 79 ? 28.464 -2.515 12.454 1.00 34.14 ? 79 ARG A O 1 ATOM 615 C CB . ARG A 1 79 ? 29.287 0.608 12.837 1.00 34.21 ? 79 ARG A CB 1 ATOM 616 C CG . ARG A 1 79 ? 29.672 0.485 11.372 1.00 35.29 ? 79 ARG A CG 1 ATOM 617 C CD . ARG A 1 79 ? 30.923 1.263 11.045 1.00 35.22 ? 79 ARG A CD 1 ATOM 618 N NE . ARG A 1 79 ? 32.134 0.535 11.417 1.00 33.85 ? 79 ARG A NE 1 ATOM 619 C CZ . ARG A 1 79 ? 33.372 0.996 11.254 1.00 33.83 ? 79 ARG A CZ 1 ATOM 620 N NH1 . ARG A 1 79 ? 33.585 2.193 10.723 1.00 34.45 ? 79 ARG A NH1 1 ATOM 621 N NH2 . ARG A 1 79 ? 34.404 0.254 11.625 1.00 33.57 ? 79 ARG A NH2 1 ATOM 622 N N . ASP A 1 80 ? 29.010 -2.066 14.596 1.00 31.72 ? 80 ASP A N 1 ATOM 623 C CA . ASP A 1 80 ? 29.532 -3.399 14.888 1.00 31.28 ? 80 ASP A CA 1 ATOM 624 C C . ASP A 1 80 ? 28.469 -4.496 14.753 1.00 31.52 ? 80 ASP A C 1 ATOM 625 O O . ASP A 1 80 ? 28.739 -5.556 14.184 1.00 31.97 ? 80 ASP A O 1 ATOM 626 C CB . ASP A 1 80 ? 30.205 -3.429 16.267 1.00 30.17 ? 80 ASP A CB 1 ATOM 627 C CG . ASP A 1 80 ? 31.643 -2.874 16.241 1.00 31.66 ? 80 ASP A CG 1 ATOM 628 O OD1 . ASP A 1 80 ? 31.977 -2.064 15.344 1.00 33.22 ? 80 ASP A OD1 1 ATOM 629 O OD2 . ASP A 1 80 ? 32.451 -3.251 17.124 1.00 32.19 ? 80 ASP A OD2 1 ATOM 630 N N . ILE A 1 81 ? 27.262 -4.229 15.253 1.00 31.44 ? 81 ILE A N 1 ATOM 631 C CA . ILE A 1 81 ? 26.135 -5.147 15.091 1.00 31.95 ? 81 ILE A CA 1 ATOM 632 C C . ILE A 1 81 ? 25.802 -5.321 13.606 1.00 33.92 ? 81 ILE A C 1 ATOM 633 O O . ILE A 1 81 ? 25.694 -6.446 13.117 1.00 34.79 ? 81 ILE A O 1 ATOM 634 C CB . ILE A 1 81 ? 24.884 -4.677 15.891 1.00 31.87 ? 81 ILE A CB 1 ATOM 635 C CG1 . ILE A 1 81 ? 25.160 -4.663 17.405 1.00 29.97 ? 81 ILE A CG1 1 ATOM 636 C CG2 . ILE A 1 81 ? 23.651 -5.526 15.556 1.00 32.95 ? 81 ILE A CG2 1 ATOM 637 C CD1 . ILE A 1 81 ? 25.463 -6.025 18.028 1.00 29.22 ? 81 ILE A CD1 1 ATOM 638 N N . GLN A 1 82 ? 25.675 -4.203 12.894 1.00 34.97 ? 82 GLN A N 1 ATOM 639 C CA . GLN A 1 82 ? 25.375 -4.206 11.463 1.00 37.24 ? 82 GLN A CA 1 ATOM 640 C C . GLN A 1 82 ? 26.376 -5.023 10.649 1.00 37.78 ? 82 GLN A C 1 ATOM 641 O O . GLN A 1 82 ? 26.011 -5.636 9.644 1.00 39.53 ? 82 GLN A O 1 ATOM 642 C CB . GLN A 1 82 ? 25.329 -2.777 10.924 1.00 38.43 ? 82 GLN A CB 1 ATOM 643 C CG . GLN A 1 82 ? 24.087 -1.991 11.309 1.00 39.49 ? 82 GLN A CG 1 ATOM 644 C CD . GLN A 1 82 ? 24.110 -0.567 10.774 1.00 41.99 ? 82 GLN A CD 1 ATOM 645 O OE1 . GLN A 1 82 ? 25.162 -0.043 10.399 1.00 42.46 ? 82 GLN A OE1 1 ATOM 646 N NE2 . GLN A 1 82 ? 22.943 0.067 10.734 1.00 43.90 ? 82 GLN A NE2 1 ATOM 647 N N . GLU A 1 83 ? 27.637 -5.015 11.081 1.00 36.55 ? 83 GLU A N 1 ATOM 648 C CA . GLU A 1 83 ? 28.688 -5.782 10.413 1.00 37.12 ? 83 GLU A CA 1 ATOM 649 C C . GLU A 1 83 ? 28.610 -7.259 10.781 1.00 36.72 ? 83 GLU A C 1 ATOM 650 O O . GLU A 1 83 ? 28.900 -8.129 9.954 1.00 37.93 ? 83 GLU A O 1 ATOM 651 C CB . GLU A 1 83 ? 30.080 -5.231 10.744 1.00 36.21 ? 83 GLU A CB 1 ATOM 652 C CG . GLU A 1 83 ? 30.419 -3.892 10.096 1.00 37.12 ? 83 GLU A CG 1 ATOM 653 C CD . GLU A 1 83 ? 30.417 -3.932 8.575 1.00 39.58 ? 83 GLU A CD 1 ATOM 654 O OE1 . GLU A 1 83 ? 30.197 -2.864 7.968 1.00 41.09 ? 83 GLU A OE1 1 ATOM 655 O OE2 . GLU A 1 83 ? 30.634 -5.014 7.983 1.00 40.27 ? 83 GLU A OE2 1 ATOM 656 N N . LEU A 1 84 ? 28.214 -7.531 12.022 1.00 35.09 ? 84 LEU A N 1 ATOM 657 C CA . LEU A 1 84 ? 28.049 -8.898 12.498 1.00 34.82 ? 84 LEU A CA 1 ATOM 658 C C . LEU A 1 84 ? 26.866 -9.597 11.822 1.00 36.48 ? 84 LEU A C 1 ATOM 659 O O . LEU A 1 84 ? 26.895 -10.814 11.613 1.00 37.12 ? 84 LEU A O 1 ATOM 660 C CB . LEU A 1 84 ? 27.921 -8.926 14.025 1.00 33.03 ? 84 LEU A CB 1 ATOM 661 C CG . LEU A 1 84 ? 29.223 -8.659 14.789 1.00 31.68 ? 84 LEU A CG 1 ATOM 662 C CD1 . LEU A 1 84 ? 28.948 -8.265 16.234 1.00 30.07 ? 84 LEU A CD1 1 ATOM 663 C CD2 . LEU A 1 84 ? 30.165 -9.859 14.715 1.00 31.87 ? 84 LEU A CD2 1 ATOM 664 N N . VAL A 1 85 ? 25.839 -8.821 11.476 1.00 37.27 ? 85 VAL A N 1 ATOM 665 C CA . VAL A 1 85 ? 24.704 -9.336 10.714 1.00 39.44 ? 85 VAL A CA 1 ATOM 666 C C . VAL A 1 85 ? 25.160 -9.755 9.313 1.00 41.66 ? 85 VAL A C 1 ATOM 667 O O . VAL A 1 85 ? 24.813 -10.839 8.842 1.00 43.24 ? 85 VAL A O 1 ATOM 668 C CB . VAL A 1 85 ? 23.544 -8.312 10.639 1.00 40.23 ? 85 VAL A CB 1 ATOM 669 C CG1 . VAL A 1 85 ? 22.437 -8.796 9.697 1.00 42.80 ? 85 VAL A CG1 1 ATOM 670 C CG2 . VAL A 1 85 ? 22.979 -8.049 12.022 1.00 38.27 ? 85 VAL A CG2 1 ATOM 671 N N . LYS A 1 86 ? 25.950 -8.898 8.666 1.00 42.11 ? 86 LYS A N 1 ATOM 672 C CA . LYS A 1 86 ? 26.556 -9.208 7.370 1.00 44.21 ? 86 LYS A CA 1 ATOM 673 C C . LYS A 1 86 ? 27.408 -10.469 7.467 1.00 44.25 ? 86 LYS A C 1 ATOM 674 O O . LYS A 1 86 ? 27.469 -11.265 6.532 1.00 46.32 ? 86 LYS A O 1 ATOM 675 C CB . LYS A 1 86 ? 27.434 -8.048 6.889 1.00 44.13 ? 86 LYS A CB 1 ATOM 676 C CG . LYS A 1 86 ? 26.690 -6.772 6.539 1.00 44.55 ? 86 LYS A CG 1 ATOM 677 C CD . LYS A 1 86 ? 27.663 -5.646 6.218 1.00 43.48 ? 86 LYS A CD 1 ATOM 678 C CE . LYS A 1 86 ? 26.935 -4.348 5.922 1.00 43.89 ? 86 LYS A CE 1 ATOM 679 N NZ . LYS A 1 86 ? 27.874 -3.213 5.742 1.00 43.23 ? 86 LYS A NZ 1 ATOM 680 N N . MET A 1 87 ? 28.059 -10.637 8.614 1.00 42.40 ? 87 MET A N 1 ATOM 681 C CA . MET A 1 87 ? 28.974 -11.745 8.852 1.00 42.48 ? 87 MET A CA 1 ATOM 682 C C . MET A 1 87 ? 28.233 -13.058 9.103 1.00 43.38 ? 87 MET A C 1 ATOM 683 O O . MET A 1 87 ? 28.759 -14.131 8.806 1.00 44.38 ? 87 MET A O 1 ATOM 684 C CB . MET A 1 87 ? 29.892 -11.394 10.025 1.00 40.23 ? 87 MET A CB 1 ATOM 685 C CG . MET A 1 87 ? 30.913 -12.441 10.416 1.00 40.12 ? 87 MET A CG 1 ATOM 686 S SD . MET A 1 87 ? 32.246 -11.664 11.341 1.00 40.08 ? 87 MET A SD 1 ATOM 687 C CE . MET A 1 87 ? 32.261 -12.655 12.816 1.00 38.50 ? 87 MET A CE 1 ATOM 688 N N . MET A 1 88 ? 27.016 -12.967 9.638 1.00 43.40 ? 88 MET A N 1 ATOM 689 C CA . MET A 1 88 ? 26.219 -14.154 9.968 1.00 44.62 ? 88 MET A CA 1 ATOM 690 C C . MET A 1 88 ? 25.161 -14.512 8.930 1.00 47.65 ? 88 MET A C 1 ATOM 691 O O . MET A 1 88 ? 24.619 -15.619 8.962 1.00 48.98 ? 88 MET A O 1 ATOM 692 C CB . MET A 1 88 ? 25.557 -14.014 11.346 1.00 42.92 ? 88 MET A CB 1 ATOM 693 C CG . MET A 1 88 ? 26.535 -14.025 12.505 1.00 40.97 ? 88 MET A CG 1 ATOM 694 S SD . MET A 1 88 ? 27.745 -15.350 12.356 1.00 41.82 ? 88 MET A SD 1 ATOM 695 C CE . MET A 1 88 ? 29.206 -14.443 12.779 1.00 39.89 ? 88 MET A CE 1 ATOM 696 N N . SER A 1 89 ? 24.866 -13.582 8.022 1.00 49.22 ? 89 SER A N 1 ATOM 697 C CA . SER A 1 89 ? 23.852 -13.803 6.987 1.00 52.49 ? 89 SER A CA 1 ATOM 698 C C . SER A 1 89 ? 24.206 -15.030 6.140 1.00 54.91 ? 89 SER A C 1 ATOM 699 O O . SER A 1 89 ? 25.386 -15.262 5.857 1.00 54.57 ? 89 SER A O 1 ATOM 700 C CB . SER A 1 89 ? 23.672 -12.554 6.109 1.00 53.66 ? 89 SER A CB 1 ATOM 701 O OG . SER A 1 89 ? 24.806 -12.320 5.291 1.00 54.30 ? 89 SER A OG 1 ATOM 702 N N . PRO A 1 90 ? 23.188 -15.821 5.741 1.00 57.60 ? 90 PRO A N 1 ATOM 703 C CA . PRO A 1 90 ? 21.761 -15.584 5.969 1.00 58.69 ? 90 PRO A CA 1 ATOM 704 C C . PRO A 1 90 ? 21.178 -16.322 7.182 1.00 57.74 ? 90 PRO A C 1 ATOM 705 O O . PRO A 1 90 ? 19.952 -16.406 7.316 1.00 59.16 ? 90 PRO A O 1 ATOM 706 C CB . PRO A 1 90 ? 21.122 -16.100 4.674 1.00 62.77 ? 90 PRO A CB 1 ATOM 707 C CG . PRO A 1 90 ? 22.115 -17.126 4.121 1.00 63.67 ? 90 PRO A CG 1 ATOM 708 C CD . PRO A 1 90 ? 23.397 -17.030 4.925 1.00 60.22 ? 90 PRO A CD 1 ATOM 709 N N . LYS A 1 91 ? 22.045 -16.835 8.057 1.00 55.73 ? 91 LYS A N 1 ATOM 710 C CA . LYS A 1 91 ? 21.614 -17.588 9.245 1.00 54.89 ? 91 LYS A CA 1 ATOM 711 C C . LYS A 1 91 ? 20.815 -16.735 10.235 1.00 53.30 ? 91 LYS A C 1 ATOM 712 O O . LYS A 1 91 ? 19.898 -17.233 10.894 1.00 53.94 ? 91 LYS A O 1 ATOM 713 C CB . LYS A 1 91 ? 22.815 -18.233 9.949 1.00 53.20 ? 91 LYS A CB 1 ATOM 714 N N . GLU A 1 92 ? 21.174 -15.457 10.341 1.00 51.46 ? 92 GLU A N 1 ATOM 715 C CA . GLU A 1 92 ? 20.416 -14.508 11.158 1.00 50.24 ? 92 GLU A CA 1 ATOM 716 C C . GLU A 1 92 ? 20.184 -13.196 10.413 1.00 50.69 ? 92 GLU A C 1 ATOM 717 O O . GLU A 1 92 ? 21.067 -12.705 9.700 1.00 50.64 ? 92 GLU A O 1 ATOM 718 C CB . GLU A 1 92 ? 21.104 -14.260 12.502 1.00 47.35 ? 92 GLU A CB 1 ATOM 719 C CG . GLU A 1 92 ? 20.889 -15.377 13.518 1.00 47.42 ? 92 GLU A CG 1 ATOM 720 N N . ASP A 1 93 ? 18.989 -12.640 10.582 1.00 51.38 ? 93 ASP A N 1 ATOM 721 C CA . ASP A 1 93 ? 18.571 -11.462 9.834 1.00 52.44 ? 93 ASP A CA 1 ATOM 722 C C . ASP A 1 93 ? 17.652 -10.582 10.685 1.00 51.60 ? 93 ASP A C 1 ATOM 723 O O . ASP A 1 93 ? 17.266 -10.964 11.792 1.00 50.46 ? 93 ASP A O 1 ATOM 724 C CB . ASP A 1 93 ? 17.869 -11.891 8.536 1.00 56.28 ? 93 ASP A CB 1 ATOM 725 C CG . ASP A 1 93 ? 18.294 -11.062 7.323 1.00 58.04 ? 93 ASP A CG 1 ATOM 726 O OD1 . ASP A 1 93 ? 19.458 -10.603 7.269 1.00 56.80 ? 93 ASP A OD1 1 ATOM 727 O OD2 . ASP A 1 93 ? 17.461 -10.886 6.408 1.00 61.50 ? 93 ASP A OD2 1 ATOM 728 N N . TYR A 1 94 ? 17.314 -9.406 10.157 1.00 52.25 ? 94 TYR A N 1 ATOM 729 C CA . TYR A 1 94 ? 16.454 -8.439 10.840 1.00 51.67 ? 94 TYR A CA 1 ATOM 730 C C . TYR A 1 94 ? 14.994 -8.913 10.875 1.00 53.98 ? 94 TYR A C 1 ATOM 731 O O . TYR A 1 94 ? 14.605 -9.751 10.059 1.00 56.61 ? 94 TYR A O 1 ATOM 732 C CB . TYR A 1 94 ? 16.566 -7.073 10.154 1.00 52.42 ? 94 TYR A CB 1 ATOM 733 C CG . TYR A 1 94 ? 17.978 -6.534 10.085 1.00 49.96 ? 94 TYR A CG 1 ATOM 734 C CD1 . TYR A 1 94 ? 18.694 -6.555 8.890 1.00 51.00 ? 94 TYR A CD1 1 ATOM 735 C CD2 . TYR A 1 94 ? 18.603 -6.010 11.217 1.00 47.02 ? 94 TYR A CD2 1 ATOM 736 C CE1 . TYR A 1 94 ? 19.997 -6.063 8.822 1.00 49.38 ? 94 TYR A CE1 1 ATOM 737 C CE2 . TYR A 1 94 ? 19.904 -5.519 11.162 1.00 45.26 ? 94 TYR A CE2 1 ATOM 738 C CZ . TYR A 1 94 ? 20.594 -5.547 9.963 1.00 46.51 ? 94 TYR A CZ 1 ATOM 739 O OH . TYR A 1 94 ? 21.877 -5.059 9.908 1.00 45.11 ? 94 TYR A OH 1 ATOM 740 N N . PRO A 1 95 ? 14.177 -8.382 11.812 1.00 53.40 ? 95 PRO A N 1 ATOM 741 C CA . PRO A 1 95 ? 14.484 -7.352 12.811 1.00 50.86 ? 95 PRO A CA 1 ATOM 742 C C . PRO A 1 95 ? 15.215 -7.903 14.032 1.00 47.77 ? 95 PRO A C 1 ATOM 743 O O . PRO A 1 95 ? 15.020 -9.061 14.405 1.00 47.91 ? 95 PRO A O 1 ATOM 744 C CB . PRO A 1 95 ? 13.105 -6.823 13.200 1.00 52.55 ? 95 PRO A CB 1 ATOM 745 C CG . PRO A 1 95 ? 12.189 -7.970 12.990 1.00 54.96 ? 95 PRO A CG 1 ATOM 746 C CD . PRO A 1 95 ? 12.783 -8.850 11.923 1.00 55.86 ? 95 PRO A CD 1 ATOM 747 N N . ILE A 1 96 ? 16.047 -7.070 14.645 1.00 45.33 ? 96 ILE A N 1 ATOM 748 C CA . ILE A 1 96 ? 16.930 -7.516 15.720 1.00 42.66 ? 96 ILE A CA 1 ATOM 749 C C . ILE A 1 96 ? 16.844 -6.595 16.938 1.00 40.99 ? 96 ILE A C 1 ATOM 750 O O . ILE A 1 96 ? 16.877 -5.374 16.800 1.00 40.96 ? 96 ILE A O 1 ATOM 751 C CB . ILE A 1 96 ? 18.384 -7.663 15.193 1.00 41.50 ? 96 ILE A CB 1 ATOM 752 C CG1 . ILE A 1 96 ? 18.527 -8.981 14.422 1.00 42.87 ? 96 ILE A CG1 1 ATOM 753 C CG2 . ILE A 1 96 ? 19.396 -7.616 16.318 1.00 39.05 ? 96 ILE A CG2 1 ATOM 754 C CD1 . ILE A 1 96 ? 19.611 -8.976 13.365 1.00 43.56 ? 96 ILE A CD1 1 ATOM 755 N N . GLU A 1 97 ? 16.708 -7.196 18.121 1.00 39.94 ? 97 GLU A N 1 ATOM 756 C CA . GLU A 1 97 ? 16.653 -6.456 19.387 1.00 38.77 ? 97 GLU A CA 1 ATOM 757 C C . GLU A 1 97 ? 17.778 -6.909 20.314 1.00 36.79 ? 97 GLU A C 1 ATOM 758 O O . GLU A 1 97 ? 17.852 -8.086 20.675 1.00 36.97 ? 97 GLU A O 1 ATOM 759 C CB . GLU A 1 97 ? 15.308 -6.666 20.096 1.00 39.94 ? 97 GLU A CB 1 ATOM 760 C CG . GLU A 1 97 ? 14.063 -6.395 19.251 1.00 42.91 ? 97 GLU A CG 1 ATOM 761 C CD . GLU A 1 97 ? 13.737 -4.915 19.103 1.00 43.90 ? 97 GLU A CD 1 ATOM 762 O OE1 . GLU A 1 97 ? 12.875 -4.580 18.262 1.00 45.89 ? 97 GLU A OE1 1 ATOM 763 O OE2 . GLU A 1 97 ? 14.333 -4.088 19.828 1.00 42.89 ? 97 GLU A OE2 1 ATOM 764 N N . ILE A 1 98 ? 18.657 -5.981 20.681 1.00 35.34 ? 98 ILE A N 1 ATOM 765 C CA . ILE A 1 98 ? 19.680 -6.246 21.687 1.00 33.85 ? 98 ILE A CA 1 ATOM 766 C C . ILE A 1 98 ? 19.332 -5.491 22.966 1.00 33.69 ? 98 ILE A C 1 ATOM 767 O O . ILE A 1 98 ? 18.918 -4.338 22.922 1.00 34.21 ? 98 ILE A O 1 ATOM 768 C CB . ILE A 1 98 ? 21.111 -5.873 21.200 1.00 32.78 ? 98 ILE A CB 1 ATOM 769 C CG1 . ILE A 1 98 ? 21.634 -6.898 20.194 1.00 33.24 ? 98 ILE A CG1 1 ATOM 770 C CG2 . ILE A 1 98 ? 22.099 -5.819 22.356 1.00 31.45 ? 98 ILE A CG2 1 ATOM 771 C CD1 . ILE A 1 98 ? 21.490 -6.487 18.760 1.00 34.40 ? 98 ILE A CD1 1 ATOM 772 N N . GLN A 1 99 ? 19.479 -6.161 24.101 1.00 33.57 ? 99 GLN A N 1 ATOM 773 C CA . GLN A 1 99 ? 19.300 -5.531 25.396 1.00 33.68 ? 99 GLN A CA 1 ATOM 774 C C . GLN A 1 99 ? 20.583 -5.683 26.184 1.00 32.82 ? 99 GLN A C 1 ATOM 775 O O . GLN A 1 99 ? 21.172 -6.764 26.220 1.00 32.77 ? 99 GLN A O 1 ATOM 776 C CB . GLN A 1 99 ? 18.138 -6.163 26.152 1.00 34.89 ? 99 GLN A CB 1 ATOM 777 C CG . GLN A 1 99 ? 16.782 -5.601 25.791 1.00 36.71 ? 99 GLN A CG 1 ATOM 778 C CD . GLN A 1 99 ? 15.654 -6.441 26.351 1.00 39.36 ? 99 GLN A CD 1 ATOM 779 O OE1 . GLN A 1 99 ? 15.237 -7.430 25.742 1.00 41.11 ? 99 GLN A OE1 1 ATOM 780 N NE2 . GLN A 1 99 ? 15.146 -6.048 27.514 1.00 39.94 ? 99 GLN A NE2 1 ATOM 781 N N . LEU A 1 100 ? 21.009 -4.592 26.812 1.00 32.59 ? 100 LEU A N 1 ATOM 782 C CA . LEU A 1 100 ? 22.267 -4.546 27.537 1.00 32.02 ? 100 LEU A CA 1 ATOM 783 C C . LEU A 1 100 ? 21.994 -4.122 28.981 1.00 32.68 ? 100 LEU A C 1 ATOM 784 O O . LEU A 1 100 ? 21.221 -3.190 29.226 1.00 33.15 ? 100 LEU A O 1 ATOM 785 C CB . LEU A 1 100 ? 23.200 -3.546 26.850 1.00 31.56 ? 100 LEU A CB 1 ATOM 786 C CG . LEU A 1 100 ? 24.718 -3.733 26.692 1.00 31.18 ? 100 LEU A CG 1 ATOM 787 C CD1 . LEU A 1 100 ? 25.411 -4.057 28.007 1.00 31.54 ? 100 LEU A CD1 1 ATOM 788 C CD2 . LEU A 1 100 ? 25.047 -4.764 25.624 1.00 30.91 ? 100 LEU A CD2 1 ATOM 789 N N . SER A 1 101 ? 22.622 -4.813 29.930 1.00 32.91 ? 101 SER A N 1 ATOM 790 C CA . SER A 1 101 ? 22.449 -4.512 31.353 1.00 33.85 ? 101 SER A CA 1 ATOM 791 C C . SER A 1 101 ? 23.779 -4.532 32.104 1.00 34.08 ? 101 SER A C 1 ATOM 792 O O . SER A 1 101 ? 24.338 -5.598 32.367 1.00 34.49 ? 101 SER A O 1 ATOM 793 C CB . SER A 1 101 ? 21.467 -5.490 31.993 1.00 34.78 ? 101 SER A CB 1 ATOM 794 O OG . SER A 1 101 ? 21.256 -5.161 33.353 1.00 36.16 ? 101 SER A OG 1 ATOM 795 N N . ALA A 1 102 ? 24.276 -3.349 32.450 1.00 34.15 ? 102 ALA A N 1 ATOM 796 C CA . ALA A 1 102 ? 25.564 -3.226 33.116 1.00 34.66 ? 102 ALA A CA 1 ATOM 797 C C . ALA A 1 102 ? 25.488 -2.339 34.355 1.00 36.28 ? 102 ALA A C 1 ATOM 798 O O . ALA A 1 102 ? 24.676 -1.414 34.425 1.00 36.55 ? 102 ALA A O 1 ATOM 799 C CB . ALA A 1 102 ? 26.599 -2.697 32.151 1.00 33.81 ? 102 ALA A CB 1 ATOM 800 N N . GLY A 1 103 ? 26.349 -2.629 35.327 1.00 37.60 ? 103 GLY A N 1 ATOM 801 C CA . GLY A 1 103 ? 26.422 -1.864 36.566 1.00 39.47 ? 103 GLY A CA 1 ATOM 802 C C . GLY A 1 103 ? 27.101 -2.670 37.650 1.00 41.37 ? 103 GLY A C 1 ATOM 803 O O . GLY A 1 103 ? 27.881 -3.579 37.355 1.00 41.13 ? 103 GLY A O 1 ATOM 804 N N . CYS A 1 104 ? 26.809 -2.334 38.905 1.00 43.56 ? 104 CYS A N 1 ATOM 805 C CA . CYS A 1 104 ? 27.339 -3.077 40.047 1.00 46.08 ? 104 CYS A CA 1 ATOM 806 C C . CYS A 1 104 ? 26.428 -2.994 41.267 1.00 48.13 ? 104 CYS A C 1 ATOM 807 O O . CYS A 1 104 ? 25.683 -2.027 41.433 1.00 48.41 ? 104 CYS A O 1 ATOM 808 C CB . CYS A 1 104 ? 28.746 -2.591 40.409 1.00 47.40 ? 104 CYS A CB 1 ATOM 809 S SG . CYS A 1 104 ? 28.839 -0.882 40.970 1.00 49.80 ? 104 CYS A SG 1 ATOM 810 N N . GLU A 1 105 ? 26.497 -4.018 42.112 1.00 50.02 ? 105 GLU A N 1 ATOM 811 C CA . GLU A 1 105 ? 25.737 -4.062 43.355 1.00 52.59 ? 105 GLU A CA 1 ATOM 812 C C . GLU A 1 105 ? 26.649 -3.670 44.517 1.00 55.51 ? 105 GLU A C 1 ATOM 813 O O . GLU A 1 105 ? 27.697 -4.288 44.727 1.00 56.58 ? 105 GLU A O 1 ATOM 814 C CB . GLU A 1 105 ? 25.154 -5.462 43.568 1.00 53.20 ? 105 GLU A CB 1 ATOM 815 C CG . GLU A 1 105 ? 24.059 -5.547 44.627 1.00 55.96 ? 105 GLU A CG 1 ATOM 816 C CD . GLU A 1 105 ? 23.525 -6.964 44.815 1.00 58.04 ? 105 GLU A CD 1 ATOM 817 O OE1 . GLU A 1 105 ? 22.896 -7.234 45.868 1.00 60.66 ? 105 GLU A OE1 1 ATOM 818 O OE2 . GLU A 1 105 ? 23.740 -7.813 43.917 1.00 56.56 ? 105 GLU A OE2 1 ATOM 819 N N . MET A 1 106 ? 26.250 -2.638 45.260 1.00 57.08 ? 106 MET A N 1 ATOM 820 C CA . MET A 1 106 ? 27.045 -2.141 46.386 1.00 60.32 ? 106 MET A CA 1 ATOM 821 C C . MET A 1 106 ? 26.753 -2.914 47.663 1.00 63.53 ? 106 MET A C 1 ATOM 822 O O . MET A 1 106 ? 25.602 -3.250 47.952 1.00 63.91 ? 106 MET A O 1 ATOM 823 C CB . MET A 1 106 ? 26.818 -0.644 46.613 1.00 60.91 ? 106 MET A CB 1 ATOM 824 C CG . MET A 1 106 ? 27.156 0.240 45.414 1.00 58.74 ? 106 MET A CG 1 ATOM 825 S SD . MET A 1 106 ? 28.817 0.024 44.726 1.00 58.98 ? 106 MET A SD 1 ATOM 826 C CE . MET A 1 106 ? 29.840 0.652 46.057 1.00 63.10 ? 106 MET A CE 1 ATOM 827 N N . TYR A 1 107 ? 27.807 -3.186 48.424 1.00 66.17 ? 107 TYR A N 1 ATOM 828 C CA . TYR A 1 107 ? 27.704 -4.014 49.616 1.00 69.66 ? 107 TYR A CA 1 ATOM 829 C C . TYR A 1 107 ? 28.269 -3.317 50.852 1.00 73.61 ? 107 TYR A C 1 ATOM 830 O O . TYR A 1 107 ? 28.938 -2.288 50.724 1.00 73.69 ? 107 TYR A O 1 ATOM 831 C CB . TYR A 1 107 ? 28.421 -5.346 49.380 1.00 69.86 ? 107 TYR A CB 1 ATOM 832 C CG . TYR A 1 107 ? 27.671 -6.289 48.470 1.00 67.44 ? 107 TYR A CG 1 ATOM 833 C CD1 . TYR A 1 107 ? 26.435 -6.818 48.848 1.00 68.43 ? 107 TYR A CD1 1 ATOM 834 C CD2 . TYR A 1 107 ? 28.200 -6.661 47.234 1.00 64.65 ? 107 TYR A CD2 1 ATOM 835 C CE1 . TYR A 1 107 ? 25.741 -7.688 48.016 1.00 66.53 ? 107 TYR A CE1 1 ATOM 836 C CE2 . TYR A 1 107 ? 27.514 -7.532 46.394 1.00 62.69 ? 107 TYR A CE2 1 ATOM 837 C CZ . TYR A 1 107 ? 26.286 -8.041 46.792 1.00 63.64 ? 107 TYR A CZ 1 ATOM 838 O OH . TYR A 1 107 ? 25.604 -8.903 45.968 1.00 62.17 ? 107 TYR A OH 1 ATOM 839 N N . PRO A 1 108 ? 27.995 -3.868 52.056 1.00 77.26 ? 108 PRO A N 1 ATOM 840 C CA . PRO A 1 108 ? 28.620 -3.327 53.261 1.00 81.61 ? 108 PRO A CA 1 ATOM 841 C C . PRO A 1 108 ? 30.135 -3.514 53.226 1.00 82.89 ? 108 PRO A C 1 ATOM 842 O O . PRO A 1 108 ? 30.640 -4.350 52.468 1.00 81.02 ? 108 PRO A O 1 ATOM 843 C CB . PRO A 1 108 ? 28.009 -4.175 54.384 1.00 85.18 ? 108 PRO A CB 1 ATOM 844 C CG . PRO A 1 108 ? 27.571 -5.437 53.714 1.00 82.88 ? 108 PRO A CG 1 ATOM 845 C CD . PRO A 1 108 ? 27.090 -4.989 52.375 1.00 77.93 ? 108 PRO A CD 1 ATOM 846 N N . GLY A 1 109 ? 30.847 -2.732 54.034 1.00 86.28 ? 109 GLY A N 1 ATOM 847 C CA . GLY A 1 109 ? 32.302 -2.823 54.118 1.00 88.14 ? 109 GLY A CA 1 ATOM 848 C C . GLY A 1 109 ? 33.015 -2.363 52.859 1.00 84.43 ? 109 GLY A C 1 ATOM 849 O O . GLY A 1 109 ? 34.037 -2.940 52.474 1.00 84.54 ? 109 GLY A O 1 ATOM 850 N N . ASN A 1 110 ? 32.459 -1.337 52.213 1.00 81.31 ? 110 ASN A N 1 ATOM 851 C CA . ASN A 1 110 ? 33.098 -0.655 51.082 1.00 78.20 ? 110 ASN A CA 1 ATOM 852 C C . ASN A 1 110 ? 33.477 -1.588 49.919 1.00 74.75 ? 110 ASN A C 1 ATOM 853 O O . ASN A 1 110 ? 34.525 -1.418 49.288 1.00 74.17 ? 110 ASN A O 1 ATOM 854 C CB . ASN A 1 110 ? 34.319 0.140 51.576 1.00 81.54 ? 110 ASN A CB 1 ATOM 855 C CG . ASN A 1 110 ? 34.519 1.442 50.825 1.00 79.73 ? 110 ASN A CG 1 ATOM 856 O OD1 . ASN A 1 110 ? 34.710 1.452 49.607 1.00 76.35 ? 110 ASN A OD1 1 ATOM 857 N ND2 . ASN A 1 110 ? 34.495 2.553 51.556 1.00 82.16 ? 110 ASN A ND2 1 ATOM 858 N N . ALA A 1 111 ? 32.616 -2.567 49.643 1.00 72.70 ? 111 ALA A N 1 ATOM 859 C CA . ALA A 1 111 ? 32.851 -3.545 48.574 1.00 69.55 ? 111 ALA A CA 1 ATOM 860 C C . ALA A 1 111 ? 31.732 -3.538 47.528 1.00 65.10 ? 111 ALA A C 1 ATOM 861 O O . ALA A 1 111 ? 30.665 -2.956 47.754 1.00 64.62 ? 111 ALA A O 1 ATOM 862 C CB . ALA A 1 111 ? 33.032 -4.944 49.164 1.00 71.80 ? 111 ALA A CB 1 ATOM 863 N N . SER A 1 112 ? 31.989 -4.187 46.389 1.00 62.09 ? 112 SER A N 1 ATOM 864 C CA . SER A 1 112 ? 31.037 -4.254 45.268 1.00 58.00 ? 112 SER A CA 1 ATOM 865 C C . SER A 1 112 ? 31.258 -5.479 44.374 1.00 56.05 ? 112 SER A C 1 ATOM 866 O O . SER A 1 112 ? 32.206 -6.241 44.573 1.00 57.61 ? 112 SER A O 1 ATOM 867 C CB . SER A 1 112 ? 31.100 -2.970 44.425 1.00 55.79 ? 112 SER A CB 1 ATOM 868 O OG . SER A 1 112 ? 32.421 -2.703 43.984 1.00 55.63 ? 112 SER A OG 1 ATOM 869 N N . GLU A 1 113 ? 30.364 -5.663 43.400 1.00 52.87 ? 113 GLU A N 1 ATOM 870 C CA . GLU A 1 113 ? 30.483 -6.718 42.389 1.00 50.87 ? 113 GLU A CA 1 ATOM 871 C C . GLU A 1 113 ? 29.789 -6.289 41.095 1.00 47.38 ? 113 GLU A C 1 ATOM 872 O O . GLU A 1 113 ? 28.588 -6.018 41.086 1.00 46.57 ? 113 GLU A O 1 ATOM 873 C CB . GLU A 1 113 ? 29.899 -8.040 42.899 1.00 52.12 ? 113 GLU A CB 1 ATOM 874 N N . SER A 1 114 ? 30.553 -6.232 40.007 1.00 45.62 ? 114 SER A N 1 ATOM 875 C CA . SER A 1 114 ? 30.055 -5.717 38.728 1.00 42.71 ? 114 SER A CA 1 ATOM 876 C C . SER A 1 114 ? 29.526 -6.788 37.783 1.00 41.04 ? 114 SER A C 1 ATOM 877 O O . SER A 1 114 ? 29.860 -7.967 37.911 1.00 41.76 ? 114 SER A O 1 ATOM 878 C CB . SER A 1 114 ? 31.136 -4.900 38.020 1.00 41.92 ? 114 SER A CB 1 ATOM 879 O OG . SER A 1 114 ? 31.259 -3.622 38.608 1.00 42.86 ? 114 SER A OG 1 ATOM 880 N N . PHE A 1 115 ? 28.706 -6.353 36.829 1.00 39.02 ? 115 PHE A N 1 ATOM 881 C CA . PHE A 1 115 ? 28.114 -7.239 35.834 1.00 37.75 ? 115 PHE A CA 1 ATOM 882 C C . PHE A 1 115 ? 27.904 -6.531 34.499 1.00 35.75 ? 115 PHE A C 1 ATOM 883 O O . PHE A 1 115 ? 27.739 -5.310 34.453 1.00 35.41 ? 115 PHE A O 1 ATOM 884 C CB . PHE A 1 115 ? 26.782 -7.815 36.340 1.00 38.40 ? 115 PHE A CB 1 ATOM 885 C CG . PHE A 1 115 ? 25.724 -6.776 36.607 1.00 38.49 ? 115 PHE A CG 1 ATOM 886 C CD1 . PHE A 1 115 ? 25.587 -6.214 37.873 1.00 40.48 ? 115 PHE A CD1 1 ATOM 887 C CD2 . PHE A 1 115 ? 24.859 -6.366 35.595 1.00 37.28 ? 115 PHE A CD2 1 ATOM 888 C CE1 . PHE A 1 115 ? 24.612 -5.252 38.128 1.00 40.87 ? 115 PHE A CE1 1 ATOM 889 C CE2 . PHE A 1 115 ? 23.882 -5.407 35.837 1.00 37.86 ? 115 PHE A CE2 1 ATOM 890 C CZ . PHE A 1 115 ? 23.758 -4.848 37.109 1.00 39.67 ? 115 PHE A CZ 1 ATOM 891 N N . LEU A 1 116 ? 27.927 -7.309 33.420 1.00 34.79 ? 116 LEU A N 1 ATOM 892 C CA . LEU A 1 116 ? 27.533 -6.834 32.097 1.00 33.13 ? 116 LEU A CA 1 ATOM 893 C C . LEU A 1 116 ? 26.850 -7.989 31.376 1.00 32.90 ? 116 LEU A C 1 ATOM 894 O O . LEU A 1 116 ? 27.493 -8.981 31.016 1.00 33.06 ? 116 LEU A O 1 ATOM 895 C CB . LEU A 1 116 ? 28.737 -6.319 31.301 1.00 32.40 ? 116 LEU A CB 1 ATOM 896 C CG . LEU A 1 116 ? 28.450 -5.394 30.111 1.00 31.05 ? 116 LEU A CG 1 ATOM 897 C CD1 . LEU A 1 116 ? 29.703 -4.663 29.693 1.00 31.02 ? 116 LEU A CD1 1 ATOM 898 C CD2 . LEU A 1 116 ? 27.883 -6.146 28.926 1.00 31.01 ? 116 LEU A CD2 1 ATOM 899 N N . HIS A 1 117 ? 25.541 -7.845 31.182 1.00 32.68 ? 117 HIS A N 1 ATOM 900 C CA . HIS A 1 117 ? 24.691 -8.898 30.637 1.00 32.69 ? 117 HIS A CA 1 ATOM 901 C C . HIS A 1 117 ? 24.033 -8.445 29.340 1.00 31.72 ? 117 HIS A C 1 ATOM 902 O O . HIS A 1 117 ? 23.540 -7.320 29.247 1.00 31.54 ? 117 HIS A O 1 ATOM 903 C CB . HIS A 1 117 ? 23.618 -9.266 31.660 1.00 33.91 ? 117 HIS A CB 1 ATOM 904 C CG . HIS A 1 117 ? 24.121 -10.116 32.785 1.00 35.75 ? 117 HIS A CG 1 ATOM 905 N ND1 . HIS A 1 117 ? 23.283 -10.886 33.563 1.00 37.44 ? 117 HIS A ND1 1 ATOM 906 C CD2 . HIS A 1 117 ? 25.374 -10.337 33.248 1.00 36.57 ? 117 HIS A CD2 1 ATOM 907 C CE1 . HIS A 1 117 ? 23.998 -11.533 34.466 1.00 38.95 ? 117 HIS A CE1 1 ATOM 908 N NE2 . HIS A 1 117 ? 25.270 -11.219 34.296 1.00 38.48 ? 117 HIS A NE2 1 ATOM 909 N N . VAL A 1 118 ? 24.029 -9.325 28.343 1.00 31.40 ? 118 VAL A N 1 ATOM 910 C CA . VAL A 1 118 ? 23.468 -9.000 27.035 1.00 30.75 ? 118 VAL A CA 1 ATOM 911 C C . VAL A 1 118 ? 22.394 -10.003 26.636 1.00 31.53 ? 118 VAL A C 1 ATOM 912 O O . VAL A 1 118 ? 22.599 -11.215 26.728 1.00 32.13 ? 118 VAL A O 1 ATOM 913 C CB . VAL A 1 118 ? 24.541 -8.976 25.926 1.00 30.11 ? 118 VAL A CB 1 ATOM 914 C CG1 . VAL A 1 118 ? 23.981 -8.310 24.678 1.00 29.89 ? 118 VAL A CG1 1 ATOM 915 C CG2 . VAL A 1 118 ? 25.811 -8.265 26.393 1.00 29.52 ? 118 VAL A CG2 1 ATOM 916 N N . ALA A 1 119 ? 21.253 -9.484 26.188 1.00 31.70 ? 119 ALA A N 1 ATOM 917 C CA . ALA A 1 119 ? 20.161 -10.318 25.699 1.00 32.71 ? 119 ALA A CA 1 ATOM 918 C C . ALA A 1 119 ? 19.914 -10.115 24.206 1.00 32.75 ? 119 ALA A C 1 ATOM 919 O O . ALA A 1 119 ? 20.008 -9.002 23.692 1.00 32.14 ? 119 ALA A O 1 ATOM 920 C CB . ALA A 1 119 ? 18.895 -10.057 26.490 1.00 33.64 ? 119 ALA A CB 1 ATOM 921 N N . PHE A 1 120 ? 19.598 -11.212 23.526 1.00 33.67 ? 120 PHE A N 1 ATOM 922 C CA . PHE A 1 120 ? 19.330 -11.212 22.094 1.00 34.28 ? 120 PHE A CA 1 ATOM 923 C C . PHE A 1 120 ? 17.932 -11.774 21.849 1.00 36.20 ? 120 PHE A C 1 ATOM 924 O O . PHE A 1 120 ? 17.609 -12.879 22.300 1.00 37.20 ? 120 PHE A O 1 ATOM 925 C CB . PHE A 1 120 ? 20.387 -12.052 21.373 1.00 34.02 ? 120 PHE A CB 1 ATOM 926 C CG . PHE A 1 120 ? 20.267 -12.045 19.875 1.00 34.77 ? 120 PHE A CG 1 ATOM 927 C CD1 . PHE A 1 120 ? 20.532 -10.887 19.143 1.00 34.20 ? 120 PHE A CD1 1 ATOM 928 C CD2 . PHE A 1 120 ? 19.924 -13.206 19.192 1.00 35.57 ? 120 PHE A CD2 1 ATOM 929 C CE1 . PHE A 1 120 ? 20.431 -10.885 17.758 1.00 34.78 ? 120 PHE A CE1 1 ATOM 930 C CE2 . PHE A 1 120 ? 19.825 -13.212 17.806 1.00 36.32 ? 120 PHE A CE2 1 ATOM 931 C CZ . PHE A 1 120 ? 20.074 -12.050 17.089 1.00 36.03 ? 120 PHE A CZ 1 ATOM 932 N N . GLN A 1 121 ? 17.109 -11.002 21.141 1.00 36.94 ? 121 GLN A N 1 ATOM 933 C CA . GLN A 1 121 ? 15.700 -11.345 20.904 1.00 39.13 ? 121 GLN A CA 1 ATOM 934 C C . GLN A 1 121 ? 14.993 -11.741 22.207 1.00 39.60 ? 121 GLN A C 1 ATOM 935 O O . GLN A 1 121 ? 14.266 -12.735 22.262 1.00 41.22 ? 121 GLN A O 1 ATOM 936 C CB . GLN A 1 121 ? 15.548 -12.446 19.837 1.00 40.74 ? 121 GLN A CB 1 ATOM 937 C CG . GLN A 1 121 ? 16.481 -12.341 18.622 1.00 40.52 ? 121 GLN A CG 1 ATOM 938 C CD . GLN A 1 121 ? 16.131 -11.213 17.655 1.00 41.52 ? 121 GLN A CD 1 ATOM 939 O OE1 . GLN A 1 121 ? 15.979 -10.052 18.049 1.00 41.05 ? 121 GLN A OE1 1 ATOM 940 N NE2 . GLN A 1 121 ? 16.029 -11.552 16.374 1.00 42.80 ? 121 GLN A NE2 1 ATOM 941 N N . GLY A 1 122 ? 15.235 -10.960 23.258 1.00 38.41 ? 122 GLY A N 1 ATOM 942 C CA . GLY A 1 122 ? 14.594 -11.159 24.555 1.00 38.87 ? 122 GLY A CA 1 ATOM 943 C C . GLY A 1 122 ? 15.175 -12.257 25.430 1.00 38.64 ? 122 GLY A C 1 ATOM 944 O O . GLY A 1 122 ? 14.662 -12.510 26.520 1.00 39.43 ? 122 GLY A O 1 ATOM 945 N N . LYS A 1 123 ? 16.238 -12.911 24.964 1.00 37.78 ? 123 LYS A N 1 ATOM 946 C CA . LYS A 1 123 ? 16.848 -14.010 25.715 1.00 37.85 ? 123 LYS A CA 1 ATOM 947 C C . LYS A 1 123 ? 18.321 -13.753 26.020 1.00 36.06 ? 123 LYS A C 1 ATOM 948 O O . LYS A 1 123 ? 19.108 -13.433 25.131 1.00 35.01 ? 123 LYS A O 1 ATOM 949 C CB . LYS A 1 123 ? 16.665 -15.351 24.989 1.00 39.22 ? 123 LYS A CB 1 ATOM 950 N N . TYR A 1 124 ? 18.666 -13.888 27.297 1.00 36.03 ? 124 TYR A N 1 ATOM 951 C CA . TYR A 1 124 ? 20.026 -13.707 27.794 1.00 34.90 ? 124 TYR A CA 1 ATOM 952 C C . TYR A 1 124 ? 20.962 -14.677 27.082 1.00 35.02 ? 124 TYR A C 1 ATOM 953 O O . TYR A 1 124 ? 20.712 -15.886 27.070 1.00 36.36 ? 124 TYR A O 1 ATOM 954 C CB . TYR A 1 124 ? 20.019 -13.928 29.314 1.00 35.62 ? 124 TYR A CB 1 ATOM 955 C CG . TYR A 1 124 ? 21.344 -13.839 30.054 1.00 34.71 ? 124 TYR A CG 1 ATOM 956 C CD1 . TYR A 1 124 ? 22.337 -12.931 29.678 1.00 33.03 ? 124 TYR A CD1 1 ATOM 957 C CD2 . TYR A 1 124 ? 21.576 -14.636 31.175 1.00 35.56 ? 124 TYR A CD2 1 ATOM 958 C CE1 . TYR A 1 124 ? 23.541 -12.854 30.379 1.00 32.66 ? 124 TYR A CE1 1 ATOM 959 C CE2 . TYR A 1 124 ? 22.765 -14.561 31.882 1.00 35.33 ? 124 TYR A CE2 1 ATOM 960 C CZ . TYR A 1 124 ? 23.740 -13.670 31.484 1.00 34.14 ? 124 TYR A CZ 1 ATOM 961 O OH . TYR A 1 124 ? 24.916 -13.604 32.190 1.00 34.76 ? 124 TYR A OH 1 ATOM 962 N N . VAL A 1 125 ? 22.020 -14.143 26.469 1.00 33.76 ? 125 VAL A N 1 ATOM 963 C CA . VAL A 1 125 ? 22.954 -14.967 25.687 1.00 33.99 ? 125 VAL A CA 1 ATOM 964 C C . VAL A 1 125 ? 24.429 -14.764 26.025 1.00 33.41 ? 125 VAL A C 1 ATOM 965 O O . VAL A 1 125 ? 25.219 -15.708 25.943 1.00 34.16 ? 125 VAL A O 1 ATOM 966 C CB . VAL A 1 125 ? 22.781 -14.788 24.145 1.00 33.72 ? 125 VAL A CB 1 ATOM 967 C CG1 . VAL A 1 125 ? 21.482 -15.420 23.654 1.00 34.91 ? 125 VAL A CG1 1 ATOM 968 C CG2 . VAL A 1 125 ? 22.881 -13.323 23.737 1.00 32.33 ? 125 VAL A CG2 1 ATOM 969 N N . VAL A 1 126 ? 24.797 -13.539 26.391 1.00 32.46 ? 126 VAL A N 1 ATOM 970 C CA . VAL A 1 126 ? 26.206 -13.165 26.535 1.00 32.05 ? 126 VAL A CA 1 ATOM 971 C C . VAL A 1 126 ? 26.459 -12.310 27.771 1.00 31.85 ? 126 VAL A C 1 ATOM 972 O O . VAL A 1 126 ? 25.666 -11.432 28.104 1.00 31.50 ? 126 VAL A O 1 ATOM 973 C CB . VAL A 1 126 ? 26.709 -12.398 25.283 1.00 31.16 ? 126 VAL A CB 1 ATOM 974 C CG1 . VAL A 1 126 ? 28.079 -11.771 25.527 1.00 30.81 ? 126 VAL A CG1 1 ATOM 975 C CG2 . VAL A 1 126 ? 26.746 -13.317 24.067 1.00 31.64 ? 126 VAL A CG2 1 ATOM 976 N N . ARG A 1 127 ? 27.573 -12.575 28.441 1.00 32.36 ? 127 ARG A N 1 ATOM 977 C CA . ARG A 1 127 ? 28.026 -11.731 29.537 1.00 32.65 ? 127 ARG A CA 1 ATOM 978 C C . ARG A 1 127 ? 29.488 -11.357 29.349 1.00 32.58 ? 127 ARG A C 1 ATOM 979 O O . ARG A 1 127 ? 30.207 -12.004 28.583 1.00 32.75 ? 127 ARG A O 1 ATOM 980 C CB . ARG A 1 127 ? 27.835 -12.432 30.884 1.00 34.23 ? 127 ARG A CB 1 ATOM 981 C CG . ARG A 1 127 ? 28.846 -13.526 31.165 1.00 35.58 ? 127 ARG A CG 1 ATOM 982 C CD . ARG A 1 127 ? 28.649 -14.115 32.535 1.00 37.57 ? 127 ARG A CD 1 ATOM 983 N NE . ARG A 1 127 ? 29.617 -15.173 32.792 1.00 39.62 ? 127 ARG A NE 1 ATOM 984 C CZ . ARG A 1 127 ? 29.740 -15.812 33.950 1.00 42.02 ? 127 ARG A CZ 1 ATOM 985 N NH1 . ARG A 1 127 ? 28.953 -15.501 34.972 1.00 43.09 ? 127 ARG A NH1 1 ATOM 986 N NH2 . ARG A 1 127 ? 30.654 -16.762 34.084 1.00 43.67 ? 127 ARG A NH2 1 ATOM 987 N N . PHE A 1 128 ? 29.916 -10.300 30.032 1.00 32.62 ? 128 PHE A N 1 ATOM 988 C CA . PHE A 1 128 ? 31.336 -10.001 30.136 1.00 33.04 ? 128 PHE A CA 1 ATOM 989 C C . PHE A 1 128 ? 31.793 -10.486 31.500 1.00 34.99 ? 128 PHE A C 1 ATOM 990 O O . PHE A 1 128 ? 31.205 -10.131 32.521 1.00 35.56 ? 128 PHE A O 1 ATOM 991 C CB . PHE A 1 128 ? 31.621 -8.505 29.949 1.00 32.15 ? 128 PHE A CB 1 ATOM 992 C CG . PHE A 1 128 ? 33.080 -8.190 29.762 1.00 32.05 ? 128 PHE A CG 1 ATOM 993 C CD1 . PHE A 1 128 ? 33.649 -8.201 28.494 1.00 30.71 ? 128 PHE A CD1 1 ATOM 994 C CD2 . PHE A 1 128 ? 33.890 -7.899 30.857 1.00 33.11 ? 128 PHE A CD2 1 ATOM 995 C CE1 . PHE A 1 128 ? 34.999 -7.922 28.316 1.00 31.28 ? 128 PHE A CE1 1 ATOM 996 C CE2 . PHE A 1 128 ? 35.245 -7.618 30.690 1.00 33.72 ? 128 PHE A CE2 1 ATOM 997 C CZ . PHE A 1 128 ? 35.800 -7.630 29.418 1.00 32.88 ? 128 PHE A CZ 1 ATOM 998 N N . TRP A 1 129 ? 32.832 -11.313 31.510 1.00 36.45 ? 129 TRP A N 1 ATOM 999 C CA . TRP A 1 129 ? 33.285 -11.956 32.740 1.00 38.97 ? 129 TRP A CA 1 ATOM 1000 C C . TRP A 1 129 ? 34.808 -11.987 32.831 1.00 40.26 ? 129 TRP A C 1 ATOM 1001 O O . TRP A 1 129 ? 35.471 -12.744 32.121 1.00 40.50 ? 129 TRP A O 1 ATOM 1002 C CB . TRP A 1 129 ? 32.696 -13.370 32.840 1.00 39.94 ? 129 TRP A CB 1 ATOM 1003 C CG . TRP A 1 129 ? 32.843 -14.015 34.185 1.00 42.95 ? 129 TRP A CG 1 ATOM 1004 C CD1 . TRP A 1 129 ? 33.561 -15.139 34.477 1.00 45.34 ? 129 TRP A CD1 1 ATOM 1005 C CD2 . TRP A 1 129 ? 32.253 -13.583 35.418 1.00 44.52 ? 129 TRP A CD2 1 ATOM 1006 N NE1 . TRP A 1 129 ? 33.458 -15.433 35.816 1.00 48.01 ? 129 TRP A NE1 1 ATOM 1007 C CE2 . TRP A 1 129 ? 32.661 -14.495 36.418 1.00 47.59 ? 129 TRP A CE2 1 ATOM 1008 C CE3 . TRP A 1 129 ? 31.419 -12.513 35.775 1.00 44.16 ? 129 TRP A CE3 1 ATOM 1009 C CZ2 . TRP A 1 129 ? 32.265 -14.370 37.757 1.00 50.20 ? 129 TRP A CZ2 1 ATOM 1010 C CZ3 . TRP A 1 129 ? 31.025 -12.386 37.110 1.00 46.34 ? 129 TRP A CZ3 1 ATOM 1011 C CH2 . TRP A 1 129 ? 31.450 -13.312 38.083 1.00 49.45 ? 129 TRP A CH2 1 ATOM 1012 N N . GLY A 1 130 ? 35.352 -11.154 33.711 1.00 41.39 ? 130 GLY A N 1 ATOM 1013 C CA . GLY A 1 130 ? 36.796 -11.075 33.902 1.00 43.07 ? 130 GLY A CA 1 ATOM 1014 C C . GLY A 1 130 ? 37.467 -10.218 32.848 1.00 41.71 ? 130 GLY A C 1 ATOM 1015 O O . GLY A 1 130 ? 37.483 -8.993 32.957 1.00 41.16 ? 130 GLY A O 1 ATOM 1016 N N . THR A 1 131 ? 38.016 -10.864 31.822 1.00 41.32 ? 131 THR A N 1 ATOM 1017 C CA . THR A 1 131 ? 38.775 -10.156 30.793 1.00 40.59 ? 131 THR A CA 1 ATOM 1018 C C . THR A 1 131 ? 38.234 -10.349 29.383 1.00 38.53 ? 131 THR A C 1 ATOM 1019 O O . THR A 1 131 ? 38.835 -9.861 28.428 1.00 38.27 ? 131 THR A O 1 ATOM 1020 C CB . THR A 1 131 ? 40.280 -10.548 30.794 1.00 42.67 ? 131 THR A CB 1 ATOM 1021 O OG1 . THR A 1 131 ? 40.410 -11.959 30.597 1.00 43.55 ? 131 THR A OG1 1 ATOM 1022 C CG2 . THR A 1 131 ? 40.955 -10.152 32.098 1.00 44.92 ? 131 THR A CG2 1 ATOM 1023 N N . SER A 1 132 ? 37.115 -11.057 29.245 1.00 37.62 ? 132 SER A N 1 ATOM 1024 C CA . SER A 1 132 ? 36.556 -11.335 27.916 1.00 36.07 ? 132 SER A CA 1 ATOM 1025 C C . SER A 1 132 ? 35.047 -11.561 27.903 1.00 34.88 ? 132 SER A C 1 ATOM 1026 O O . SER A 1 132 ? 34.440 -11.869 28.934 1.00 35.30 ? 132 SER A O 1 ATOM 1027 C CB . SER A 1 132 ? 37.263 -12.534 27.276 1.00 37.02 ? 132 SER A CB 1 ATOM 1028 O OG . SER A 1 132 ? 36.980 -13.723 27.986 1.00 38.43 ? 132 SER A OG 1 ATOM 1029 N N . TRP A 1 133 ? 34.460 -11.395 26.718 1.00 33.56 ? 133 TRP A N 1 ATOM 1030 C CA . TRP A 1 133 ? 33.072 -11.759 26.455 1.00 32.85 ? 133 TRP A CA 1 ATOM 1031 C C . TRP A 1 133 ? 32.950 -13.277 26.389 1.00 33.98 ? 133 TRP A C 1 ATOM 1032 O O . TRP A 1 133 ? 33.845 -13.964 25.881 1.00 34.89 ? 133 TRP A O 1 ATOM 1033 C CB . TRP A 1 133 ? 32.598 -11.165 25.127 1.00 31.63 ? 133 TRP A CB 1 ATOM 1034 C CG . TRP A 1 133 ? 32.756 -9.683 25.035 1.00 30.86 ? 133 TRP A CG 1 ATOM 1035 C CD1 . TRP A 1 133 ? 33.810 -9.007 24.495 1.00 31.11 ? 133 TRP A CD1 1 ATOM 1036 C CD2 . TRP A 1 133 ? 31.834 -8.690 25.498 1.00 29.96 ? 133 TRP A CD2 1 ATOM 1037 N NE1 . TRP A 1 133 ? 33.604 -7.652 24.594 1.00 30.67 ? 133 TRP A NE1 1 ATOM 1038 C CE2 . TRP A 1 133 ? 32.400 -7.428 25.207 1.00 29.83 ? 133 TRP A CE2 1 ATOM 1039 C CE3 . TRP A 1 133 ? 30.587 -8.742 26.135 1.00 29.77 ? 133 TRP A CE3 1 ATOM 1040 C CZ2 . TRP A 1 133 ? 31.761 -6.226 25.529 1.00 29.62 ? 133 TRP A CZ2 1 ATOM 1041 C CZ3 . TRP A 1 133 ? 29.950 -7.550 26.454 1.00 29.66 ? 133 TRP A CZ3 1 ATOM 1042 C CH2 . TRP A 1 133 ? 30.540 -6.306 26.151 1.00 29.72 ? 133 TRP A CH2 1 ATOM 1043 N N . GLN A 1 134 ? 31.843 -13.798 26.905 1.00 34.09 ? 134 GLN A N 1 ATOM 1044 C CA . GLN A 1 134 ? 31.565 -15.222 26.824 1.00 35.18 ? 134 GLN A CA 1 ATOM 1045 C C . GLN A 1 134 ? 30.068 -15.487 26.732 1.00 34.89 ? 134 GLN A C 1 ATOM 1046 O O . GLN A 1 134 ? 29.255 -14.680 27.197 1.00 34.31 ? 134 GLN A O 1 ATOM 1047 C CB . GLN A 1 134 ? 32.197 -15.977 27.997 1.00 37.00 ? 134 GLN A CB 1 ATOM 1048 C CG . GLN A 1 134 ? 31.740 -15.549 29.382 1.00 38.17 ? 134 GLN A CG 1 ATOM 1049 C CD . GLN A 1 134 ? 32.068 -16.586 30.451 1.00 41.74 ? 134 GLN A CD 1 ATOM 1050 O OE1 . GLN A 1 134 ? 31.279 -16.815 31.374 1.00 42.65 ? 134 GLN A OE1 1 ATOM 1051 N NE2 . GLN A 1 134 ? 33.232 -17.223 30.326 1.00 42.88 ? 134 GLN A NE2 1 ATOM 1052 N N . THR A 1 135 ? 29.713 -16.610 26.112 1.00 35.49 ? 135 THR A N 1 ATOM 1053 C CA . THR A 1 135 ? 28.313 -17.012 25.980 1.00 35.51 ? 135 THR A CA 1 ATOM 1054 C C . THR A 1 135 ? 27.856 -17.820 27.193 1.00 36.82 ? 135 THR A C 1 ATOM 1055 O O . THR A 1 135 ? 28.643 -18.553 27.791 1.00 38.04 ? 135 THR A O 1 ATOM 1056 C CB . THR A 1 135 ? 28.068 -17.829 24.700 1.00 35.97 ? 135 THR A CB 1 ATOM 1057 O OG1 . THR A 1 135 ? 28.911 -18.988 24.698 1.00 37.57 ? 135 THR A OG1 1 ATOM 1058 C CG2 . THR A 1 135 ? 28.348 -16.988 23.464 1.00 34.65 ? 135 THR A CG2 1 ATOM 1059 N N . VAL A 1 136 ? 26.582 -17.681 27.545 1.00 36.79 ? 136 VAL A N 1 ATOM 1060 C CA . VAL A 1 136 ? 26.012 -18.389 28.695 1.00 38.44 ? 136 VAL A CA 1 ATOM 1061 C C . VAL A 1 136 ? 25.308 -19.695 28.279 1.00 40.03 ? 136 VAL A C 1 ATOM 1062 O O . VAL A 1 136 ? 24.980 -19.872 27.102 1.00 39.64 ? 136 VAL A O 1 ATOM 1063 C CB . VAL A 1 136 ? 25.062 -17.472 29.520 1.00 38.03 ? 136 VAL A CB 1 ATOM 1064 C CG1 . VAL A 1 136 ? 25.810 -16.239 30.008 1.00 36.79 ? 136 VAL A CG1 1 ATOM 1065 C CG2 . VAL A 1 136 ? 23.825 -17.079 28.715 1.00 37.26 ? 136 VAL A CG2 1 ATOM 1066 N N . PRO A 1 137 ? 25.089 -20.621 29.237 1.00 42.08 ? 137 PRO A N 1 ATOM 1067 C CA . PRO A 1 137 ? 24.416 -21.879 28.897 1.00 43.88 ? 137 PRO A CA 1 ATOM 1068 C C . PRO A 1 137 ? 23.042 -21.659 28.261 1.00 43.64 ? 137 PRO A C 1 ATOM 1069 O O . PRO A 1 137 ? 22.230 -20.883 28.778 1.00 43.02 ? 137 PRO A O 1 ATOM 1070 C CB . PRO A 1 137 ? 24.283 -22.577 30.250 1.00 45.99 ? 137 PRO A CB 1 ATOM 1071 C CG . PRO A 1 137 ? 25.436 -22.063 31.034 1.00 45.59 ? 137 PRO A CG 1 ATOM 1072 C CD . PRO A 1 137 ? 25.541 -20.618 30.642 1.00 43.06 ? 137 PRO A CD 1 ATOM 1073 N N . GLY A 1 138 ? 22.813 -22.326 27.130 1.00 44.22 ? 138 GLY A N 1 ATOM 1074 C CA . GLY A 1 138 ? 21.573 -22.183 26.369 1.00 44.33 ? 138 GLY A CA 1 ATOM 1075 C C . GLY A 1 138 ? 21.731 -21.460 25.041 1.00 42.78 ? 138 GLY A C 1 ATOM 1076 O O . GLY A 1 138 ? 20.955 -21.695 24.111 1.00 43.72 ? 138 GLY A O 1 ATOM 1077 N N . ALA A 1 139 ? 22.735 -20.586 24.957 1.00 40.68 ? 139 ALA A N 1 ATOM 1078 C CA . ALA A 1 139 ? 22.989 -19.770 23.767 1.00 39.13 ? 139 ALA A CA 1 ATOM 1079 C C . ALA A 1 139 ? 23.286 -20.611 22.533 1.00 40.11 ? 139 ALA A C 1 ATOM 1080 O O . ALA A 1 139 ? 23.929 -21.654 22.640 1.00 41.20 ? 139 ALA A O 1 ATOM 1081 C CB . ALA A 1 139 ? 24.133 -18.801 24.024 1.00 37.34 ? 139 ALA A CB 1 ATOM 1082 N N . PRO A 1 140 ? 22.819 -20.159 21.352 1.00 40.04 ? 140 PRO A N 1 ATOM 1083 C CA . PRO A 1 140 ? 23.096 -20.869 20.105 1.00 41.14 ? 140 PRO A CA 1 ATOM 1084 C C . PRO A 1 140 ? 24.579 -20.797 19.745 1.00 40.17 ? 140 PRO A C 1 ATOM 1085 O O . PRO A 1 140 ? 25.243 -19.807 20.059 1.00 38.40 ? 140 PRO A O 1 ATOM 1086 C CB . PRO A 1 140 ? 22.250 -20.113 19.079 1.00 41.20 ? 140 PRO A CB 1 ATOM 1087 C CG . PRO A 1 140 ? 22.118 -18.745 19.640 1.00 39.40 ? 140 PRO A CG 1 ATOM 1088 C CD . PRO A 1 140 ? 22.013 -18.945 21.119 1.00 39.17 ? 140 PRO A CD 1 ATOM 1089 N N . SER A 1 141 ? 25.073 -21.839 19.081 1.00 41.53 ? 141 SER A N 1 ATOM 1090 C CA . SER A 1 141 ? 26.508 -22.037 18.863 1.00 41.10 ? 141 SER A CA 1 ATOM 1091 C C . SER A 1 141 ? 27.154 -21.080 17.864 1.00 39.91 ? 141 SER A C 1 ATOM 1092 O O . SER A 1 141 ? 28.379 -20.935 17.844 1.00 39.30 ? 141 SER A O 1 ATOM 1093 C CB . SER A 1 141 ? 26.777 -23.480 18.442 1.00 43.40 ? 141 SER A CB 1 ATOM 1094 O OG . SER A 1 141 ? 26.280 -24.383 19.411 1.00 44.71 ? 141 SER A OG 1 ATOM 1095 N N . TRP A 1 142 ? 26.338 -20.431 17.039 1.00 39.81 ? 142 TRP A N 1 ATOM 1096 C CA . TRP A 1 142 ? 26.856 -19.515 16.026 1.00 39.00 ? 142 TRP A CA 1 ATOM 1097 C C . TRP A 1 142 ? 27.418 -18.234 16.638 1.00 37.01 ? 142 TRP A C 1 ATOM 1098 O O . TRP A 1 142 ? 28.175 -17.514 15.987 1.00 36.42 ? 142 TRP A O 1 ATOM 1099 C CB . TRP A 1 142 ? 25.799 -19.209 14.958 1.00 39.90 ? 142 TRP A CB 1 ATOM 1100 C CG . TRP A 1 142 ? 24.565 -18.557 15.479 1.00 38.76 ? 142 TRP A CG 1 ATOM 1101 C CD1 . TRP A 1 142 ? 23.379 -19.164 15.763 1.00 39.61 ? 142 TRP A CD1 1 ATOM 1102 C CD2 . TRP A 1 142 ? 24.386 -17.167 15.774 1.00 36.90 ? 142 TRP A CD2 1 ATOM 1103 N NE1 . TRP A 1 142 ? 22.472 -18.241 16.220 1.00 38.83 ? 142 TRP A NE1 1 ATOM 1104 C CE2 . TRP A 1 142 ? 23.064 -17.007 16.239 1.00 37.03 ? 142 TRP A CE2 1 ATOM 1105 C CE3 . TRP A 1 142 ? 25.218 -16.040 15.695 1.00 35.29 ? 142 TRP A CE3 1 ATOM 1106 C CZ2 . TRP A 1 142 ? 22.552 -15.768 16.627 1.00 35.92 ? 142 TRP A CZ2 1 ATOM 1107 C CZ3 . TRP A 1 142 ? 24.707 -14.807 16.078 1.00 34.13 ? 142 TRP A CZ3 1 ATOM 1108 C CH2 . TRP A 1 142 ? 23.386 -14.682 16.538 1.00 34.58 ? 142 TRP A CH2 1 ATOM 1109 N N . LEU A 1 143 ? 27.052 -17.964 17.891 1.00 36.25 ? 143 LEU A N 1 ATOM 1110 C CA . LEU A 1 143 ? 27.550 -16.801 18.624 1.00 34.71 ? 143 LEU A CA 1 ATOM 1111 C C . LEU A 1 143 ? 29.045 -16.872 18.923 1.00 34.71 ? 143 LEU A C 1 ATOM 1112 O O . LEU A 1 143 ? 29.666 -15.851 19.228 1.00 33.72 ? 143 LEU A O 1 ATOM 1113 C CB . LEU A 1 143 ? 26.784 -16.613 19.931 1.00 34.13 ? 143 LEU A CB 1 ATOM 1114 C CG . LEU A 1 143 ? 25.438 -15.895 19.883 1.00 33.94 ? 143 LEU A CG 1 ATOM 1115 C CD1 . LEU A 1 143 ? 24.737 -16.020 21.224 1.00 33.19 ? 143 LEU A CD1 1 ATOM 1116 C CD2 . LEU A 1 143 ? 25.624 -14.438 19.515 1.00 32.81 ? 143 LEU A CD2 1 ATOM 1117 N N . ASP A 1 144 ? 29.619 -18.070 18.830 1.00 36.16 ? 144 ASP A N 1 ATOM 1118 C CA . ASP A 1 144 ? 31.044 -18.262 19.078 1.00 36.59 ? 144 ASP A CA 1 ATOM 1119 C C . ASP A 1 144 ? 31.917 -17.396 18.178 1.00 36.13 ? 144 ASP A C 1 ATOM 1120 O O . ASP A 1 144 ? 33.013 -17.004 18.577 1.00 35.88 ? 144 ASP A O 1 ATOM 1121 C CB . ASP A 1 144 ? 31.438 -19.734 18.926 1.00 38.57 ? 144 ASP A CB 1 ATOM 1122 C CG . ASP A 1 144 ? 30.932 -20.604 20.070 1.00 39.97 ? 144 ASP A CG 1 ATOM 1123 O OD1 . ASP A 1 144 ? 30.733 -20.087 21.197 1.00 39.90 ? 144 ASP A OD1 1 ATOM 1124 O OD2 . ASP A 1 144 ? 30.741 -21.819 19.837 1.00 41.81 ? 144 ASP A OD2 1 ATOM 1125 N N . LEU A 1 145 ? 31.426 -17.099 16.975 1.00 36.39 ? 145 LEU A N 1 ATOM 1126 C CA . LEU A 1 145 ? 32.171 -16.279 16.020 1.00 36.27 ? 145 LEU A CA 1 ATOM 1127 C C . LEU A 1 145 ? 32.121 -14.776 16.344 1.00 34.82 ? 145 LEU A C 1 ATOM 1128 O O . LEU A 1 145 ? 33.173 -14.147 16.438 1.00 34.47 ? 145 LEU A O 1 ATOM 1129 C CB . LEU A 1 145 ? 31.744 -16.578 14.577 1.00 37.55 ? 145 LEU A CB 1 ATOM 1130 C CG . LEU A 1 145 ? 32.473 -15.906 13.404 1.00 38.09 ? 145 LEU A CG 1 ATOM 1131 C CD1 . LEU A 1 145 ? 34.003 -15.995 13.493 1.00 38.40 ? 145 LEU A CD1 1 ATOM 1132 C CD2 . LEU A 1 145 ? 31.981 -16.470 12.076 1.00 39.89 ? 145 LEU A CD2 1 ATOM 1133 N N . PRO A 1 146 ? 30.913 -14.192 16.517 1.00 34.32 ? 146 PRO A N 1 ATOM 1134 C CA . PRO A 1 146 ? 30.866 -12.808 16.999 1.00 33.07 ? 146 PRO A CA 1 ATOM 1135 C C . PRO A 1 146 ? 31.707 -12.579 18.258 1.00 32.37 ? 146 PRO A C 1 ATOM 1136 O O . PRO A 1 146 ? 32.499 -11.641 18.294 1.00 32.08 ? 146 PRO A O 1 ATOM 1137 C CB . PRO A 1 146 ? 29.382 -12.598 17.303 1.00 32.70 ? 146 PRO A CB 1 ATOM 1138 C CG . PRO A 1 146 ? 28.697 -13.463 16.336 1.00 34.01 ? 146 PRO A CG 1 ATOM 1139 C CD . PRO A 1 146 ? 29.567 -14.672 16.146 1.00 34.95 ? 146 PRO A CD 1 ATOM 1140 N N . ILE A 1 147 ? 31.545 -13.439 19.262 1.00 32.63 ? 147 ILE A N 1 ATOM 1141 C CA . ILE A 1 147 ? 32.305 -13.345 20.516 1.00 32.59 ? 147 ILE A CA 1 ATOM 1142 C C . ILE A 1 147 ? 33.816 -13.455 20.281 1.00 33.32 ? 147 ILE A C 1 ATOM 1143 O O . ILE A 1 147 ? 34.601 -12.751 20.918 1.00 33.18 ? 147 ILE A O 1 ATOM 1144 C CB . ILE A 1 147 ? 31.805 -14.387 21.568 1.00 33.18 ? 147 ILE A CB 1 ATOM 1145 C CG1 . ILE A 1 147 ? 30.690 -13.794 22.437 1.00 32.46 ? 147 ILE A CG1 1 ATOM 1146 C CG2 . ILE A 1 147 ? 32.927 -14.829 22.492 1.00 34.12 ? 147 ILE A CG2 1 ATOM 1147 C CD1 . ILE A 1 147 ? 29.427 -13.408 21.695 1.00 32.08 ? 147 ILE A CD1 1 ATOM 1148 N N . LYS A 1 148 ? 34.205 -14.324 19.348 1.00 34.48 ? 148 LYS A N 1 ATOM 1149 C CA . LYS A 1 148 ? 35.601 -14.488 18.943 1.00 35.41 ? 148 LYS A CA 1 ATOM 1150 C C . LYS A 1 148 ? 36.169 -13.185 18.387 1.00 34.82 ? 148 LYS A C 1 ATOM 1151 O O . LYS A 1 148 ? 37.312 -12.820 18.681 1.00 35.32 ? 148 LYS A O 1 ATOM 1152 C CB . LYS A 1 148 ? 35.707 -15.585 17.884 1.00 36.80 ? 148 LYS A CB 1 ATOM 1153 C CG . LYS A 1 148 ? 37.081 -16.190 17.725 1.00 38.96 ? 148 LYS A CG 1 ATOM 1154 C CD . LYS A 1 148 ? 37.247 -16.773 16.331 1.00 41.26 ? 148 LYS A CD 1 ATOM 1155 C CE . LYS A 1 148 ? 38.577 -17.492 16.183 1.00 43.62 ? 148 LYS A CE 1 ATOM 1156 N NZ . LYS A 1 148 ? 38.557 -18.801 16.893 1.00 45.61 ? 148 LYS A NZ 1 ATOM 1157 N N . VAL A 1 149 ? 35.357 -12.496 17.587 1.00 34.12 ? 149 VAL A N 1 ATOM 1158 C CA . VAL A 1 149 ? 35.748 -11.254 16.921 1.00 33.78 ? 149 VAL A CA 1 ATOM 1159 C C . VAL A 1 149 ? 35.759 -10.088 17.902 1.00 32.93 ? 149 VAL A C 1 ATOM 1160 O O . VAL A 1 149 ? 36.631 -9.216 17.834 1.00 33.18 ? 149 VAL A O 1 ATOM 1161 C CB . VAL A 1 149 ? 34.818 -10.950 15.717 1.00 33.86 ? 149 VAL A CB 1 ATOM 1162 C CG1 . VAL A 1 149 ? 35.011 -9.529 15.206 1.00 33.48 ? 149 VAL A CG1 1 ATOM 1163 C CG2 . VAL A 1 149 ? 35.066 -11.950 14.600 1.00 35.09 ? 149 VAL A CG2 1 ATOM 1164 N N . LEU A 1 150 ? 34.787 -10.082 18.812 1.00 32.12 ? 150 LEU A N 1 ATOM 1165 C CA . LEU A 1 150 ? 34.708 -9.063 19.849 1.00 31.36 ? 150 LEU A CA 1 ATOM 1166 C C . LEU A 1 150 ? 35.864 -9.189 20.833 1.00 31.84 ? 150 LEU A C 1 ATOM 1167 O O . LEU A 1 150 ? 36.449 -8.187 21.227 1.00 32.06 ? 150 LEU A O 1 ATOM 1168 C CB . LEU A 1 150 ? 33.359 -9.115 20.574 1.00 30.70 ? 150 LEU A CB 1 ATOM 1169 C CG . LEU A 1 150 ? 32.120 -8.715 19.760 1.00 30.64 ? 150 LEU A CG 1 ATOM 1170 C CD1 . LEU A 1 150 ? 30.847 -9.172 20.471 1.00 31.01 ? 150 LEU A CD1 1 ATOM 1171 C CD2 . LEU A 1 150 ? 32.074 -7.211 19.466 1.00 30.24 ? 150 LEU A CD2 1 ATOM 1172 N N . ASN A 1 151 ? 36.204 -10.420 21.207 1.00 32.51 ? 151 ASN A N 1 ATOM 1173 C CA . ASN A 1 151 ? 37.342 -10.673 22.093 1.00 33.52 ? 151 ASN A CA 1 ATOM 1174 C C . ASN A 1 151 ? 38.695 -10.324 21.472 1.00 34.45 ? 151 ASN A C 1 ATOM 1175 O O . ASN A 1 151 ? 39.679 -10.130 22.190 1.00 35.62 ? 151 ASN A O 1 ATOM 1176 C CB . ASN A 1 151 ? 37.342 -12.124 22.585 1.00 34.39 ? 151 ASN A CB 1 ATOM 1177 C CG . ASN A 1 151 ? 36.359 -12.358 23.717 1.00 34.19 ? 151 ASN A CG 1 ATOM 1178 O OD1 . ASN A 1 151 ? 36.005 -11.438 24.456 1.00 34.30 ? 151 ASN A OD1 1 ATOM 1179 N ND2 . ASN A 1 151 ? 35.916 -13.596 23.862 1.00 34.87 ? 151 ASN A ND2 1 ATOM 1180 N N . ALA A 1 152 ? 38.735 -10.238 20.144 1.00 34.33 ? 152 ALA A N 1 ATOM 1181 C CA . ALA A 1 152 ? 39.935 -9.819 19.422 1.00 35.29 ? 152 ALA A CA 1 ATOM 1182 C C . ALA A 1 152 ? 40.252 -8.352 19.675 1.00 35.08 ? 152 ALA A C 1 ATOM 1183 O O . ALA A 1 152 ? 41.402 -7.935 19.556 1.00 36.14 ? 152 ALA A O 1 ATOM 1184 C CB . ALA A 1 152 ? 39.769 -10.066 17.936 1.00 35.53 ? 152 ALA A CB 1 ATOM 1185 N N . ASP A 1 153 ? 39.219 -7.586 20.027 1.00 33.94 ? 153 ASP A N 1 ATOM 1186 C CA . ASP A 1 153 ? 39.324 -6.149 20.261 1.00 33.91 ? 153 ASP A CA 1 ATOM 1187 C C . ASP A 1 153 ? 39.819 -5.854 21.676 1.00 34.48 ? 153 ASP A C 1 ATOM 1188 O O . ASP A 1 153 ? 39.026 -5.669 22.605 1.00 33.95 ? 153 ASP A O 1 ATOM 1189 C CB . ASP A 1 153 ? 37.967 -5.488 20.007 1.00 32.72 ? 153 ASP A CB 1 ATOM 1190 C CG . ASP A 1 153 ? 38.024 -3.969 20.056 1.00 33.34 ? 153 ASP A CG 1 ATOM 1191 O OD1 . ASP A 1 153 ? 39.111 -3.391 20.290 1.00 34.04 ? 153 ASP A OD1 1 ATOM 1192 O OD2 . ASP A 1 153 ? 36.957 -3.348 19.857 1.00 33.59 ? 153 ASP A OD2 1 ATOM 1193 N N . GLN A 1 154 ? 41.140 -5.797 21.820 1.00 36.05 ? 154 GLN A N 1 ATOM 1194 C CA . GLN A 1 154 ? 41.790 -5.667 23.123 1.00 37.23 ? 154 GLN A CA 1 ATOM 1195 C C . GLN A 1 154 ? 41.480 -4.354 23.828 1.00 36.93 ? 154 GLN A C 1 ATOM 1196 O O . GLN A 1 154 ? 41.361 -4.323 25.054 1.00 37.40 ? 154 GLN A O 1 ATOM 1197 C CB . GLN A 1 154 ? 43.300 -5.857 22.984 1.00 39.32 ? 154 GLN A CB 1 ATOM 1198 C CG . GLN A 1 154 ? 43.723 -7.309 22.814 1.00 41.31 ? 154 GLN A CG 1 ATOM 1199 C CD . GLN A 1 154 ? 45.228 -7.466 22.685 1.00 45.76 ? 154 GLN A CD 1 ATOM 1200 O OE1 . GLN A 1 154 ? 45.898 -7.923 23.614 1.00 48.21 ? 154 GLN A OE1 1 ATOM 1201 N NE2 . GLN A 1 154 ? 45.771 -7.079 21.530 1.00 46.79 ? 154 GLN A NE2 1 ATOM 1202 N N . GLY A 1 155 ? 41.346 -3.283 23.044 1.00 36.51 ? 155 GLY A N 1 ATOM 1203 C CA . GLY A 1 155 ? 41.048 -1.944 23.553 1.00 36.20 ? 155 GLY A CA 1 ATOM 1204 C C . GLY A 1 155 ? 39.669 -1.829 24.170 1.00 34.81 ? 155 GLY A C 1 ATOM 1205 O O . GLY A 1 155 ? 39.513 -1.232 25.235 1.00 35.39 ? 155 GLY A O 1 ATOM 1206 N N . THR A 1 156 ? 38.665 -2.395 23.504 1.00 33.34 ? 156 THR A N 1 ATOM 1207 C CA . THR A 1 156 ? 37.312 -2.452 24.058 1.00 32.28 ? 156 THR A CA 1 ATOM 1208 C C . THR A 1 156 ? 37.316 -3.281 25.344 1.00 32.75 ? 156 THR A C 1 ATOM 1209 O O . THR A 1 156 ? 36.662 -2.927 26.322 1.00 32.65 ? 156 THR A O 1 ATOM 1210 C CB . THR A 1 156 ? 36.293 -3.032 23.040 1.00 31.14 ? 156 THR A CB 1 ATOM 1211 O OG1 . THR A 1 156 ? 36.156 -2.137 21.930 1.00 30.80 ? 156 THR A OG1 1 ATOM 1212 C CG2 . THR A 1 156 ? 34.921 -3.233 23.677 1.00 30.28 ? 156 THR A CG2 1 ATOM 1213 N N . SER A 1 157 ? 38.076 -4.371 25.335 1.00 33.59 ? 157 SER A N 1 ATOM 1214 C CA . SER A 1 157 ? 38.188 -5.252 26.493 1.00 34.50 ? 157 SER A CA 1 ATOM 1215 C C . SER A 1 157 ? 38.814 -4.536 27.692 1.00 36.02 ? 157 SER A C 1 ATOM 1216 O O . SER A 1 157 ? 38.332 -4.664 28.821 1.00 36.56 ? 157 SER A O 1 ATOM 1217 C CB . SER A 1 157 ? 38.997 -6.499 26.133 1.00 35.29 ? 157 SER A CB 1 ATOM 1218 O OG . SER A 1 157 ? 38.787 -7.525 27.081 1.00 36.03 ? 157 SER A OG 1 ATOM 1219 N N . ALA A 1 158 ? 39.877 -3.777 27.434 1.00 37.01 ? 158 ALA A N 1 ATOM 1220 C CA . ALA A 1 158 ? 40.564 -3.000 28.465 1.00 38.68 ? 158 ALA A CA 1 ATOM 1221 C C . ALA A 1 158 ? 39.665 -1.922 29.077 1.00 38.22 ? 158 ALA A C 1 ATOM 1222 O O . ALA A 1 158 ? 39.699 -1.693 30.289 1.00 39.57 ? 158 ALA A O 1 ATOM 1223 C CB . ALA A 1 158 ? 41.829 -2.377 27.897 1.00 39.88 ? 158 ALA A CB 1 ATOM 1224 N N . THR A 1 159 ? 38.866 -1.268 28.236 1.00 36.53 ? 159 THR A N 1 ATOM 1225 C CA . THR A 1 159 ? 37.960 -0.218 28.685 1.00 36.16 ? 159 THR A CA 1 ATOM 1226 C C . THR A 1 159 ? 36.837 -0.781 29.561 1.00 35.65 ? 159 THR A C 1 ATOM 1227 O O . THR A 1 159 ? 36.607 -0.290 30.670 1.00 36.63 ? 159 THR A O 1 ATOM 1228 C CB . THR A 1 159 ? 37.381 0.586 27.494 1.00 34.95 ? 159 THR A CB 1 ATOM 1229 O OG1 . THR A 1 159 ? 38.446 1.260 26.817 1.00 35.65 ? 159 THR A OG1 1 ATOM 1230 C CG2 . THR A 1 159 ? 36.365 1.623 27.969 1.00 34.61 ? 159 THR A CG2 1 ATOM 1231 N N . VAL A 1 160 ? 36.153 -1.810 29.064 1.00 34.30 ? 160 VAL A N 1 ATOM 1232 C CA . VAL A 1 160 ? 35.074 -2.455 29.812 1.00 34.03 ? 160 VAL A CA 1 ATOM 1233 C C . VAL A 1 160 ? 35.562 -2.929 31.193 1.00 35.93 ? 160 VAL A C 1 ATOM 1234 O O . VAL A 1 160 ? 34.876 -2.728 32.202 1.00 36.48 ? 160 VAL A O 1 ATOM 1235 C CB . VAL A 1 160 ? 34.419 -3.599 28.998 1.00 32.69 ? 160 VAL A CB 1 ATOM 1236 C CG1 . VAL A 1 160 ? 33.483 -4.431 29.861 1.00 32.56 ? 160 VAL A CG1 1 ATOM 1237 C CG2 . VAL A 1 160 ? 33.661 -3.028 27.811 1.00 31.36 ? 160 VAL A CG2 1 ATOM 1238 N N . GLN A 1 161 ? 36.754 -3.525 31.234 1.00 37.14 ? 161 GLN A N 1 ATOM 1239 C CA . GLN A 1 161 ? 37.392 -3.902 32.497 1.00 39.37 ? 161 GLN A CA 1 ATOM 1240 C C . GLN A 1 161 ? 37.544 -2.718 33.439 1.00 41.04 ? 161 GLN A C 1 ATOM 1241 O O . GLN A 1 161 ? 37.192 -2.815 34.610 1.00 42.39 ? 161 GLN A O 1 ATOM 1242 C CB . GLN A 1 161 ? 38.758 -4.535 32.251 1.00 40.65 ? 161 GLN A CB 1 ATOM 1243 C CG . GLN A 1 161 ? 38.742 -6.039 32.204 1.00 40.31 ? 161 GLN A CG 1 ATOM 1244 C CD . GLN A 1 161 ? 40.000 -6.599 31.587 1.00 41.04 ? 161 GLN A CD 1 ATOM 1245 O OE1 . GLN A 1 161 ? 40.971 -6.877 32.287 1.00 43.30 ? 161 GLN A OE1 1 ATOM 1246 N NE2 . GLN A 1 161 ? 39.998 -6.753 30.263 1.00 39.34 ? 161 GLN A NE2 1 ATOM 1247 N N . MET A 1 162 ? 38.061 -1.606 32.918 1.00 41.42 ? 162 MET A N 1 ATOM 1248 C CA . MET A 1 162 ? 38.253 -0.385 33.704 1.00 43.37 ? 162 MET A CA 1 ATOM 1249 C C . MET A 1 162 ? 36.922 0.182 34.203 1.00 42.55 ? 162 MET A C 1 ATOM 1250 O O . MET A 1 162 ? 36.847 0.706 35.315 1.00 44.36 ? 162 MET A O 1 ATOM 1251 C CB . MET A 1 162 ? 39.005 0.677 32.890 1.00 43.82 ? 162 MET A CB 1 ATOM 1252 C CG . MET A 1 162 ? 39.568 1.826 33.737 1.00 47.78 ? 162 MET A CG 1 ATOM 1253 S SD . MET A 1 162 ? 39.851 3.375 32.841 1.00 50.78 ? 162 MET A SD 1 ATOM 1254 C CE . MET A 1 162 ? 38.165 3.870 32.435 1.00 47.46 ? 162 MET A CE 1 ATOM 1255 N N . LEU A 1 163 ? 35.881 0.070 33.378 1.00 40.13 ? 163 LEU A N 1 ATOM 1256 C CA . LEU A 1 163 ? 34.554 0.564 33.733 1.00 39.39 ? 163 LEU A CA 1 ATOM 1257 C C . LEU A 1 163 ? 33.894 -0.272 34.817 1.00 39.97 ? 163 LEU A C 1 ATOM 1258 O O . LEU A 1 163 ? 33.309 0.272 35.752 1.00 41.03 ? 163 LEU A O 1 ATOM 1259 C CB . LEU A 1 163 ? 33.644 0.617 32.508 1.00 37.19 ? 163 LEU A CB 1 ATOM 1260 C CG . LEU A 1 163 ? 33.883 1.728 31.489 1.00 36.93 ? 163 LEU A CG 1 ATOM 1261 C CD1 . LEU A 1 163 ? 33.090 1.432 30.232 1.00 35.57 ? 163 LEU A CD1 1 ATOM 1262 C CD2 . LEU A 1 163 ? 33.512 3.088 32.061 1.00 38.29 ? 163 LEU A CD2 1 ATOM 1263 N N . LEU A 1 164 ? 33.988 -1.592 34.684 1.00 39.52 ? 164 LEU A N 1 ATOM 1264 C CA . LEU A 1 164 ? 33.330 -2.503 35.613 1.00 40.06 ? 164 LEU A CA 1 ATOM 1265 C C . LEU A 1 164 ? 34.098 -2.647 36.923 1.00 42.87 ? 164 LEU A C 1 ATOM 1266 O O . LEU A 1 164 ? 33.504 -2.589 37.994 1.00 44.26 ? 164 LEU A O 1 ATOM 1267 C CB . LEU A 1 164 ? 33.087 -3.870 34.961 1.00 38.85 ? 164 LEU A CB 1 ATOM 1268 C CG . LEU A 1 164 ? 32.138 -3.945 33.754 1.00 36.09 ? 164 LEU A CG 1 ATOM 1269 C CD1 . LEU A 1 164 ? 32.015 -5.371 33.255 1.00 35.25 ? 164 LEU A CD1 1 ATOM 1270 C CD2 . LEU A 1 164 ? 30.761 -3.378 34.063 1.00 35.36 ? 164 LEU A CD2 1 ATOM 1271 N N . ASN A 1 165 ? 35.416 -2.809 36.837 1.00 44.11 ? 165 ASN A N 1 ATOM 1272 C CA . ASN A 1 165 ? 36.255 -2.958 38.028 1.00 47.17 ? 165 ASN A CA 1 ATOM 1273 C C . ASN A 1 165 ? 36.447 -1.670 38.822 1.00 49.02 ? 165 ASN A C 1 ATOM 1274 O O . ASN A 1 165 ? 36.414 -1.693 40.057 1.00 51.54 ? 165 ASN A O 1 ATOM 1275 C CB . ASN A 1 165 ? 37.628 -3.535 37.667 1.00 48.24 ? 165 ASN A CB 1 ATOM 1276 C CG . ASN A 1 165 ? 37.547 -4.915 37.040 1.00 47.41 ? 165 ASN A CG 1 ATOM 1277 O OD1 . ASN A 1 165 ? 36.476 -5.374 36.636 1.00 45.84 ? 165 ASN A OD1 1 ATOM 1278 N ND2 . ASN A 1 165 ? 38.692 -5.582 36.952 1.00 49.45 ? 165 ASN A ND2 1 ATOM 1279 N N . ASP A 1 166 ? 36.650 -0.556 38.118 1.00 48.05 ? 166 ASP A N 1 ATOM 1280 C CA . ASP A 1 166 ? 37.069 0.696 38.763 1.00 50.20 ? 166 ASP A CA 1 ATOM 1281 C C . ASP A 1 166 ? 36.032 1.820 38.708 1.00 49.23 ? 166 ASP A C 1 ATOM 1282 O O . ASP A 1 166 ? 35.602 2.320 39.750 1.00 50.83 ? 166 ASP A O 1 ATOM 1283 C CB . ASP A 1 166 ? 38.411 1.182 38.187 1.00 51.02 ? 166 ASP A CB 1 ATOM 1284 C CG . ASP A 1 166 ? 39.545 0.188 38.410 1.00 52.92 ? 166 ASP A CG 1 ATOM 1285 O OD1 . ASP A 1 166 ? 39.913 -0.049 39.580 1.00 56.17 ? 166 ASP A OD1 1 ATOM 1286 O OD2 . ASP A 1 166 ? 40.078 -0.350 37.413 1.00 51.59 ? 166 ASP A OD2 1 ATOM 1287 N N . THR A 1 167 ? 35.637 2.205 37.495 1.00 46.84 ? 167 THR A N 1 ATOM 1288 C CA . THR A 1 167 ? 34.827 3.409 37.272 1.00 46.31 ? 167 THR A CA 1 ATOM 1289 C C . THR A 1 167 ? 33.409 3.334 37.850 1.00 45.98 ? 167 THR A C 1 ATOM 1290 O O . THR A 1 167 ? 32.929 4.311 38.428 1.00 47.20 ? 167 THR A O 1 ATOM 1291 C CB . THR A 1 167 ? 34.772 3.784 35.772 1.00 43.99 ? 167 THR A CB 1 ATOM 1292 O OG1 . THR A 1 167 ? 36.104 3.928 35.271 1.00 44.75 ? 167 THR A OG1 1 ATOM 1293 C CG2 . THR A 1 167 ? 34.025 5.091 35.560 1.00 43.94 ? 167 THR A CG2 1 ATOM 1294 N N . CYS A 1 168 ? 32.750 2.187 37.698 1.00 44.62 ? 168 CYS A N 1 ATOM 1295 C CA . CYS A 1 168 ? 31.379 2.020 38.183 1.00 44.51 ? 168 CYS A CA 1 ATOM 1296 C C . CYS A 1 168 ? 31.260 2.092 39.713 1.00 47.03 ? 168 CYS A C 1 ATOM 1297 O O . CYS A 1 168 ? 30.451 2.873 40.213 1.00 47.80 ? 168 CYS A O 1 ATOM 1298 C CB . CYS A 1 168 ? 30.736 0.738 37.636 1.00 42.87 ? 168 CYS A CB 1 ATOM 1299 S SG . CYS A 1 168 ? 28.962 0.582 37.994 1.00 43.52 ? 168 CYS A SG 1 ATOM 1300 N N . PRO A 1 169 ? 32.062 1.295 40.460 1.00 48.70 ? 169 PRO A N 1 ATOM 1301 C CA . PRO A 1 169 ? 31.978 1.375 41.925 1.00 51.60 ? 169 PRO A CA 1 ATOM 1302 C C . PRO A 1 169 ? 32.340 2.756 42.472 1.00 53.63 ? 169 PRO A C 1 ATOM 1303 O O . PRO A 1 169 ? 31.697 3.231 43.408 1.00 55.43 ? 169 PRO A O 1 ATOM 1304 C CB . PRO A 1 169 ? 33.001 0.335 42.397 1.00 53.22 ? 169 PRO A CB 1 ATOM 1305 C CG . PRO A 1 169 ? 33.158 -0.590 41.256 1.00 50.66 ? 169 PRO A CG 1 ATOM 1306 C CD . PRO A 1 169 ? 33.020 0.257 40.037 1.00 48.30 ? 169 PRO A CD 1 ATOM 1307 N N . LEU A 1 170 ? 33.355 3.387 41.884 1.00 53.60 ? 170 LEU A N 1 ATOM 1308 C CA . LEU A 1 170 ? 33.790 4.722 42.292 1.00 55.76 ? 170 LEU A CA 1 ATOM 1309 C C . LEU A 1 170 ? 32.690 5.756 42.068 1.00 54.85 ? 170 LEU A C 1 ATOM 1310 O O . LEU A 1 170 ? 32.501 6.662 42.889 1.00 57.19 ? 170 LEU A O 1 ATOM 1311 C CB . LEU A 1 170 ? 35.061 5.132 41.539 1.00 55.85 ? 170 LEU A CB 1 ATOM 1312 C CG . LEU A 1 170 ? 35.786 6.403 41.997 1.00 58.89 ? 170 LEU A CG 1 ATOM 1313 C CD1 . LEU A 1 170 ? 36.690 6.114 43.192 1.00 62.99 ? 170 LEU A CD1 1 ATOM 1314 C CD2 . LEU A 1 170 ? 36.587 7.013 40.855 1.00 58.06 ? 170 LEU A CD2 1 ATOM 1315 N N . PHE A 1 171 ? 31.966 5.608 40.958 1.00 51.68 ? 171 PHE A N 1 ATOM 1316 C CA . PHE A 1 171 ? 30.877 6.517 40.613 1.00 50.76 ? 171 PHE A CA 1 ATOM 1317 C C . PHE A 1 171 ? 29.662 6.367 41.529 1.00 51.63 ? 171 PHE A C 1 ATOM 1318 O O . PHE A 1 171 ? 29.077 7.368 41.944 1.00 53.04 ? 171 PHE A O 1 ATOM 1319 C CB . PHE A 1 171 ? 30.470 6.350 39.148 1.00 47.57 ? 171 PHE A CB 1 ATOM 1320 C CG . PHE A 1 171 ? 29.285 7.182 38.747 1.00 46.88 ? 171 PHE A CG 1 ATOM 1321 C CD1 . PHE A 1 171 ? 29.365 8.573 38.733 1.00 47.84 ? 171 PHE A CD1 1 ATOM 1322 C CD2 . PHE A 1 171 ? 28.087 6.576 38.381 1.00 45.29 ? 171 PHE A CD2 1 ATOM 1323 C CE1 . PHE A 1 171 ? 28.272 9.348 38.365 1.00 47.50 ? 171 PHE A CE1 1 ATOM 1324 C CE2 . PHE A 1 171 ? 26.987 7.341 38.007 1.00 44.97 ? 171 PHE A CE2 1 ATOM 1325 C CZ . PHE A 1 171 ? 27.080 8.732 38.001 1.00 46.29 ? 171 PHE A CZ 1 ATOM 1326 N N . VAL A 1 172 ? 29.297 5.126 41.846 1.00 51.15 ? 172 VAL A N 1 ATOM 1327 C CA . VAL A 1 172 ? 28.113 4.847 42.669 1.00 52.05 ? 172 VAL A CA 1 ATOM 1328 C C . VAL A 1 172 ? 28.266 5.352 44.112 1.00 55.70 ? 172 VAL A C 1 ATOM 1329 O O . VAL A 1 172 ? 27.325 5.926 44.673 1.00 56.89 ? 172 VAL A O 1 ATOM 1330 C CB . VAL A 1 172 ? 27.720 3.345 42.645 1.00 50.93 ? 172 VAL A CB 1 ATOM 1331 C CG1 . VAL A 1 172 ? 26.423 3.115 43.401 1.00 51.86 ? 172 VAL A CG1 1 ATOM 1332 C CG2 . VAL A 1 172 ? 27.561 2.858 41.218 1.00 47.76 ? 172 VAL A CG2 1 ATOM 1333 N N . ARG A 1 173 ? 29.448 5.153 44.699 1.00 57.71 ? 173 ARG A N 1 ATOM 1334 C CA . ARG A 1 173 ? 29.752 5.686 46.032 1.00 61.65 ? 173 ARG A CA 1 ATOM 1335 C C . ARG A 1 173 ? 29.588 7.201 46.059 1.00 62.64 ? 173 ARG A C 1 ATOM 1336 O O . ARG A 1 173 ? 29.248 7.777 47.095 1.00 65.60 ? 173 ARG A O 1 ATOM 1337 C CB . ARG A 1 173 ? 31.173 5.319 46.462 1.00 63.84 ? 173 ARG A CB 1 ATOM 1338 C CG . ARG A 1 173 ? 31.320 3.916 47.014 1.00 65.27 ? 173 ARG A CG 1 ATOM 1339 C CD . ARG A 1 173 ? 32.781 3.507 47.066 1.00 68.17 ? 173 ARG A CD 1 ATOM 1340 N NE . ARG A 1 173 ? 32.940 2.061 46.911 1.00 68.61 ? 173 ARG A NE 1 ATOM 1341 C CZ . ARG A 1 173 ? 34.049 1.458 46.484 1.00 68.98 ? 173 ARG A CZ 1 ATOM 1342 N NH1 . ARG A 1 173 ? 35.127 2.167 46.160 1.00 69.81 ? 173 ARG A NH1 1 ATOM 1343 N NH2 . ARG A 1 173 ? 34.080 0.135 46.380 1.00 68.63 ? 173 ARG A NH2 1 ATOM 1344 N N . GLY A 1 174 ? 29.841 7.832 44.913 1.00 60.49 ? 174 GLY A N 1 ATOM 1345 C CA . GLY A 1 174 ? 29.639 9.266 44.738 1.00 61.16 ? 174 GLY A CA 1 ATOM 1346 C C . GLY A 1 174 ? 28.169 9.641 44.732 1.00 60.49 ? 174 GLY A C 1 ATOM 1347 O O . GLY A 1 174 ? 27.775 10.630 45.358 1.00 62.72 ? 174 GLY A O 1 ATOM 1348 N N . LEU A 1 175 ? 27.364 8.848 44.024 1.00 57.60 ? 175 LEU A N 1 ATOM 1349 C CA . LEU A 1 175 ? 25.916 9.040 43.963 1.00 57.03 ? 175 LEU A CA 1 ATOM 1350 C C . LEU A 1 175 ? 25.276 8.903 45.336 1.00 59.85 ? 175 LEU A C 1 ATOM 1351 O O . LEU A 1 175 ? 24.443 9.725 45.723 1.00 61.42 ? 175 LEU A O 1 ATOM 1352 C CB . LEU A 1 175 ? 25.276 8.028 43.016 1.00 53.91 ? 175 LEU A CB 1 ATOM 1353 C CG . LEU A 1 175 ? 25.437 8.148 41.500 1.00 50.89 ? 175 LEU A CG 1 ATOM 1354 C CD1 . LEU A 1 175 ? 24.955 6.857 40.863 1.00 48.26 ? 175 LEU A CD1 1 ATOM 1355 C CD2 . LEU A 1 175 ? 24.674 9.340 40.943 1.00 50.36 ? 175 LEU A CD2 1 ATOM 1356 N N . LEU A 1 176 ? 25.672 7.861 46.066 1.00 60.85 ? 176 LEU A N 1 ATOM 1357 C CA . LEU A 1 176 ? 25.134 7.587 47.399 1.00 63.74 ? 176 LEU A CA 1 ATOM 1358 C C . LEU A 1 176 ? 25.399 8.732 48.371 1.00 67.49 ? 176 LEU A C 1 ATOM 1359 O O . LEU A 1 176 ? 24.567 9.021 49.233 1.00 69.91 ? 176 LEU A O 1 ATOM 1360 C CB . LEU A 1 176 ? 25.695 6.271 47.955 1.00 64.37 ? 176 LEU A CB 1 ATOM 1361 C CG . LEU A 1 176 ? 25.416 4.964 47.197 1.00 61.32 ? 176 LEU A CG 1 ATOM 1362 C CD1 . LEU A 1 176 ? 26.303 3.841 47.719 1.00 62.22 ? 176 LEU A CD1 1 ATOM 1363 C CD2 . LEU A 1 176 ? 23.944 4.560 47.256 1.00 60.46 ? 176 LEU A CD2 1 ATOM 1364 N N . GLU A 1 177 ? 26.553 9.383 48.227 1.00 68.34 ? 177 GLU A N 1 ATOM 1365 C CA . GLU A 1 177 ? 26.895 10.545 49.047 1.00 72.06 ? 177 GLU A CA 1 ATOM 1366 C C . GLU A 1 177 ? 26.088 11.773 48.635 1.00 71.73 ? 177 GLU A C 1 ATOM 1367 O O . GLU A 1 177 ? 25.622 12.532 49.487 1.00 74.78 ? 177 GLU A O 1 ATOM 1368 C CB . GLU A 1 177 ? 28.390 10.865 48.952 1.00 73.25 ? 177 GLU A CB 1 ATOM 1369 C CG . GLU A 1 177 ? 29.306 9.884 49.672 1.00 75.69 ? 177 GLU A CG 1 ATOM 1370 C CD . GLU A 1 177 ? 30.759 10.338 49.679 1.00 78.09 ? 177 GLU A CD 1 ATOM 1371 O OE1 . GLU A 1 177 ? 31.086 11.291 50.425 1.00 81.48 ? 177 GLU A OE1 1 ATOM 1372 O OE2 . GLU A 1 177 ? 31.572 9.733 48.943 1.00 76.11 ? 177 GLU A OE2 1 ATOM 1373 N N . ALA A 1 178 ? 25.926 11.951 47.326 1.00 68.32 ? 178 ALA A N 1 ATOM 1374 C CA . ALA A 1 178 ? 25.299 13.146 46.765 1.00 68.04 ? 178 ALA A CA 1 ATOM 1375 C C . ALA A 1 178 ? 23.776 13.109 46.813 1.00 67.61 ? 178 ALA A C 1 ATOM 1376 O O . ALA A 1 178 ? 23.133 14.151 46.954 1.00 69.22 ? 178 ALA A O 1 ATOM 1377 C CB . ALA A 1 178 ? 25.777 13.373 45.337 1.00 65.21 ? 178 ALA A CB 1 ATOM 1378 N N . GLY A 1 179 ? 23.205 11.914 46.691 1.00 65.61 ? 179 GLY A N 1 ATOM 1379 C CA . GLY A 1 179 ? 21.756 11.758 46.672 1.00 65.20 ? 179 GLY A CA 1 ATOM 1380 C C . GLY A 1 179 ? 21.178 11.137 47.924 1.00 67.48 ? 179 GLY A C 1 ATOM 1381 O O . GLY A 1 179 ? 20.124 10.503 47.870 1.00 66.73 ? 179 GLY A O 1 ATOM 1382 N N . LYS A 1 180 ? 21.857 11.338 49.053 1.00 70.59 ? 180 LYS A N 1 ATOM 1383 C CA . LYS A 1 180 ? 21.486 10.700 50.320 1.00 73.26 ? 180 LYS A CA 1 ATOM 1384 C C . LYS A 1 180 ? 20.044 10.995 50.737 1.00 74.74 ? 180 LYS A C 1 ATOM 1385 O O . LYS A 1 180 ? 19.318 10.088 51.144 1.00 74.90 ? 180 LYS A O 1 ATOM 1386 C CB . LYS A 1 180 ? 22.461 11.097 51.438 1.00 77.00 ? 180 LYS A CB 1 ATOM 1387 C CG . LYS A 1 180 ? 22.561 10.077 52.577 1.00 79.11 ? 180 LYS A CG 1 ATOM 1388 C CD . LYS A 1 180 ? 23.411 10.581 53.741 1.00 83.12 ? 180 LYS A CD 1 ATOM 1389 C CE . LYS A 1 180 ? 22.592 11.422 54.719 1.00 86.93 ? 180 LYS A CE 1 ATOM 1390 N NZ . LYS A 1 180 ? 23.427 12.004 55.809 1.00 90.95 ? 180 LYS A NZ 1 ATOM 1391 N N . SER A 1 181 ? 19.636 12.257 50.617 1.00 76.02 ? 181 SER A N 1 ATOM 1392 C CA . SER A 1 181 ? 18.307 12.692 51.055 1.00 78.10 ? 181 SER A CA 1 ATOM 1393 C C . SER A 1 181 ? 17.170 12.089 50.227 1.00 75.53 ? 181 SER A C 1 ATOM 1394 O O . SER A 1 181 ? 16.120 11.753 50.773 1.00 77.17 ? 181 SER A O 1 ATOM 1395 C CB . SER A 1 181 ? 18.208 14.222 51.078 1.00 80.10 ? 181 SER A CB 1 ATOM 1396 O OG . SER A 1 181 ? 18.365 14.764 49.780 1.00 77.60 ? 181 SER A OG 1 ATOM 1397 N N . ASP A 1 182 ? 17.383 11.952 48.920 1.00 72.00 ? 182 ASP A N 1 ATOM 1398 C CA . ASP A 1 182 ? 16.386 11.349 48.035 1.00 69.61 ? 182 ASP A CA 1 ATOM 1399 C C . ASP A 1 182 ? 16.334 9.832 48.198 1.00 68.43 ? 182 ASP A C 1 ATOM 1400 O O . ASP A 1 182 ? 15.269 9.227 48.076 1.00 68.14 ? 182 ASP A O 1 ATOM 1401 C CB . ASP A 1 182 ? 16.660 11.712 46.573 1.00 66.63 ? 182 ASP A CB 1 ATOM 1402 C CG . ASP A 1 182 ? 16.399 13.181 46.269 1.00 68.07 ? 182 ASP A CG 1 ATOM 1403 O OD1 . ASP A 1 182 ? 16.392 14.008 47.207 1.00 71.45 ? 182 ASP A OD1 1 ATOM 1404 O OD2 . ASP A 1 182 ? 16.204 13.509 45.078 1.00 66.14 ? 182 ASP A OD2 1 ATOM 1405 N N . LEU A 1 183 ? 17.488 9.227 48.472 1.00 68.04 ? 183 LEU A N 1 ATOM 1406 C CA . LEU A 1 183 ? 17.581 7.779 48.660 1.00 67.23 ? 183 LEU A CA 1 ATOM 1407 C C . LEU A 1 183 ? 17.066 7.337 50.032 1.00 70.56 ? 183 LEU A C 1 ATOM 1408 O O . LEU A 1 183 ? 16.490 6.258 50.162 1.00 70.41 ? 183 LEU A O 1 ATOM 1409 C CB . LEU A 1 183 ? 19.017 7.283 48.432 1.00 65.87 ? 183 LEU A CB 1 ATOM 1410 C CG . LEU A 1 183 ? 19.594 7.320 47.006 1.00 62.31 ? 183 LEU A CG 1 ATOM 1411 C CD1 . LEU A 1 183 ? 21.111 7.171 47.032 1.00 61.98 ? 183 LEU A CD1 1 ATOM 1412 C CD2 . LEU A 1 183 ? 18.968 6.269 46.093 1.00 59.27 ? 183 LEU A CD2 1 ATOM 1413 N N . GLU A 1 184 ? 17.271 8.171 51.048 1.00 73.86 ? 184 GLU A N 1 ATOM 1414 C CA . GLU A 1 184 ? 16.776 7.878 52.395 1.00 77.60 ? 184 GLU A CA 1 ATOM 1415 C C . GLU A 1 184 ? 15.431 8.557 52.670 1.00 79.36 ? 184 GLU A C 1 ATOM 1416 O O . GLU A 1 184 ? 15.013 8.680 53.824 1.00 82.99 ? 184 GLU A O 1 ATOM 1417 C CB . GLU A 1 184 ? 17.809 8.278 53.457 1.00 80.85 ? 184 GLU A CB 1 ATOM 1418 C CG . GLU A 1 184 ? 19.124 7.502 53.382 1.00 80.15 ? 184 GLU A CG 1 ATOM 1419 C CD . GLU A 1 184 ? 20.196 8.039 54.324 1.00 83.89 ? 184 GLU A CD 1 ATOM 1420 O OE1 . GLU A 1 184 ? 19.933 9.018 55.062 1.00 86.64 ? 184 GLU A OE1 1 ATOM 1421 O OE2 . GLU A 1 184 ? 21.313 7.476 54.320 1.00 83.73 ? 184 GLU A OE2 1 ATOM 1422 N N . LYS A 1 185 ? 14.757 8.984 51.602 1.00 77.02 ? 185 LYS A N 1 ATOM 1423 C CA . LYS A 1 185 ? 13.470 9.675 51.703 1.00 78.57 ? 185 LYS A CA 1 ATOM 1424 C C . LYS A 1 185 ? 12.363 8.756 52.212 1.00 79.79 ? 185 LYS A C 1 ATOM 1425 O O . LYS A 1 185 ? 12.314 7.573 51.866 1.00 77.94 ? 185 LYS A O 1 ATOM 1426 C CB . LYS A 1 185 ? 13.070 10.272 50.351 1.00 75.92 ? 185 LYS A CB 1 ATOM 1427 N N . GLN A 1 186 ? 11.484 9.316 53.037 1.00 68.61 ? 186 GLN A N 1 ATOM 1428 C CA . GLN A 1 186 ? 10.358 8.577 53.597 1.00 66.83 ? 186 GLN A CA 1 ATOM 1429 C C . GLN A 1 186 ? 9.042 9.219 53.176 1.00 66.05 ? 186 GLN A C 1 ATOM 1430 O O . GLN A 1 186 ? 8.826 10.413 53.392 1.00 68.96 ? 186 GLN A O 1 ATOM 1431 C CB . GLN A 1 186 ? 10.458 8.510 55.125 1.00 69.98 ? 186 GLN A CB 1 ATOM 1432 C CG . GLN A 1 186 ? 11.647 7.707 55.658 1.00 70.96 ? 186 GLN A CG 1 ATOM 1433 C CD . GLN A 1 186 ? 11.496 6.204 55.469 1.00 67.63 ? 186 GLN A CD 1 ATOM 1434 O OE1 . GLN A 1 186 ? 10.385 5.672 55.467 1.00 65.49 ? 186 GLN A OE1 1 ATOM 1435 N NE2 . GLN A 1 186 ? 12.620 5.513 55.317 1.00 67.56 ? 186 GLN A NE2 1 ATOM 1436 N N . GLU A 1 187 ? 8.171 8.419 52.567 1.00 62.71 ? 187 GLU A N 1 ATOM 1437 C CA . GLU A 1 187 ? 6.873 8.897 52.096 1.00 62.06 ? 187 GLU A CA 1 ATOM 1438 C C . GLU A 1 187 ? 5.752 8.081 52.709 1.00 60.99 ? 187 GLU A C 1 ATOM 1439 O O . GLU A 1 187 ? 5.783 6.848 52.672 1.00 59.03 ? 187 GLU A O 1 ATOM 1440 C CB . GLU A 1 187 ? 6.787 8.841 50.567 1.00 59.69 ? 187 GLU A CB 1 ATOM 1441 C CG . GLU A 1 187 ? 7.684 9.842 49.843 1.00 61.30 ? 187 GLU A CG 1 ATOM 1442 C CD . GLU A 1 187 ? 7.139 11.265 49.851 1.00 64.62 ? 187 GLU A CD 1 ATOM 1443 O OE1 . GLU A 1 187 ? 7.465 12.018 48.910 1.00 65.95 ? 187 GLU A OE1 1 ATOM 1444 O OE2 . GLU A 1 187 ? 6.393 11.638 50.783 1.00 66.32 ? 187 GLU A OE2 1 ATOM 1445 N N . LYS A 1 188 ? 4.766 8.778 53.267 1.00 62.80 ? 188 LYS A N 1 ATOM 1446 C CA . LYS A 1 188 ? 3.655 8.135 53.962 1.00 62.47 ? 188 LYS A CA 1 ATOM 1447 C C . LYS A 1 188 ? 2.629 7.552 52.987 1.00 59.76 ? 188 LYS A C 1 ATOM 1448 O O . LYS A 1 188 ? 2.201 8.233 52.051 1.00 59.51 ? 188 LYS A O 1 ATOM 1449 C CB . LYS A 1 188 ? 2.983 9.110 54.940 1.00 65.92 ? 188 LYS A CB 1 ATOM 1450 N N . PRO A 1 189 ? 2.243 6.281 53.203 1.00 58.22 ? 189 PRO A N 1 ATOM 1451 C CA . PRO A 1 189 ? 1.203 5.637 52.408 1.00 56.52 ? 189 PRO A CA 1 ATOM 1452 C C . PRO A 1 189 ? -0.197 6.112 52.788 1.00 58.06 ? 189 PRO A C 1 ATOM 1453 O O . PRO A 1 189 ? -0.465 6.388 53.960 1.00 60.18 ? 189 PRO A O 1 ATOM 1454 C CB . PRO A 1 189 ? 1.360 4.156 52.762 1.00 55.49 ? 189 PRO A CB 1 ATOM 1455 C CG . PRO A 1 189 ? 1.955 4.151 54.117 1.00 57.32 ? 189 PRO A CG 1 ATOM 1456 C CD . PRO A 1 189 ? 2.845 5.352 54.179 1.00 58.61 ? 189 PRO A CD 1 ATOM 1457 N N . VAL A 1 190 ? -1.071 6.212 51.791 1.00 57.43 ? 190 VAL A N 1 ATOM 1458 C CA . VAL A 1 190 ? -2.491 6.471 52.010 1.00 58.89 ? 190 VAL A CA 1 ATOM 1459 C C . VAL A 1 190 ? -3.244 5.193 51.655 1.00 57.68 ? 190 VAL A C 1 ATOM 1460 O O . VAL A 1 190 ? -2.923 4.537 50.662 1.00 56.02 ? 190 VAL A O 1 ATOM 1461 C CB . VAL A 1 190 ? -2.997 7.672 51.163 1.00 60.20 ? 190 VAL A CB 1 ATOM 1462 C CG1 . VAL A 1 190 ? -4.512 7.827 51.260 1.00 61.83 ? 190 VAL A CG1 1 ATOM 1463 C CG2 . VAL A 1 190 ? -2.310 8.961 51.597 1.00 62.55 ? 190 VAL A CG2 1 ATOM 1464 N N . ALA A 1 191 ? -4.226 4.834 52.478 1.00 59.01 ? 191 ALA A N 1 ATOM 1465 C CA . ALA A 1 191 ? -5.004 3.617 52.262 1.00 58.61 ? 191 ALA A CA 1 ATOM 1466 C C . ALA A 1 191 ? -6.484 3.909 52.038 1.00 60.29 ? 191 ALA A C 1 ATOM 1467 O O . ALA A 1 191 ? -7.073 4.732 52.741 1.00 62.25 ? 191 ALA A O 1 ATOM 1468 C CB . ALA A 1 191 ? -4.819 2.656 53.427 1.00 59.11 ? 191 ALA A CB 1 ATOM 1469 N N . TRP A 1 192 ? -7.067 3.239 51.045 1.00 59.97 ? 192 TRP A N 1 ATOM 1470 C CA . TRP A 1 192 ? -8.515 3.262 50.824 1.00 61.97 ? 192 TRP A CA 1 ATOM 1471 C C . TRP A 1 192 ? -9.055 1.876 50.466 1.00 62.38 ? 192 TRP A C 1 ATOM 1472 O O . TRP A 1 192 ? -8.363 1.074 49.837 1.00 60.96 ? 192 TRP A O 1 ATOM 1473 C CB . TRP A 1 192 ? -8.927 4.329 49.795 1.00 62.74 ? 192 TRP A CB 1 ATOM 1474 C CG . TRP A 1 192 ? -8.551 4.061 48.354 1.00 61.42 ? 192 TRP A CG 1 ATOM 1475 C CD1 . TRP A 1 192 ? -9.341 3.496 47.392 1.00 62.48 ? 192 TRP A CD1 1 ATOM 1476 C CD2 . TRP A 1 192 ? -7.310 4.386 47.711 1.00 59.10 ? 192 TRP A CD2 1 ATOM 1477 N NE1 . TRP A 1 192 ? -8.665 3.432 46.196 1.00 60.97 ? 192 TRP A NE1 1 ATOM 1478 C CE2 . TRP A 1 192 ? -7.418 3.975 46.362 1.00 58.94 ? 192 TRP A CE2 1 ATOM 1479 C CE3 . TRP A 1 192 ? -6.116 4.976 48.145 1.00 57.49 ? 192 TRP A CE3 1 ATOM 1480 C CZ2 . TRP A 1 192 ? -6.377 4.134 45.443 1.00 57.49 ? 192 TRP A CZ2 1 ATOM 1481 C CZ3 . TRP A 1 192 ? -5.082 5.138 47.231 1.00 56.23 ? 192 TRP A CZ3 1 ATOM 1482 C CH2 . TRP A 1 192 ? -5.219 4.715 45.895 1.00 56.11 ? 192 TRP A CH2 1 ATOM 1483 N N . LEU A 1 193 ? -10.289 1.605 50.890 1.00 64.85 ? 193 LEU A N 1 ATOM 1484 C CA . LEU A 1 193 ? -10.902 0.283 50.745 1.00 66.21 ? 193 LEU A CA 1 ATOM 1485 C C . LEU A 1 193 ? -12.045 0.272 49.731 1.00 68.38 ? 193 LEU A C 1 ATOM 1486 O O . LEU A 1 193 ? -12.712 1.289 49.518 1.00 69.62 ? 193 LEU A O 1 ATOM 1487 C CB . LEU A 1 193 ? -11.408 -0.228 52.101 1.00 67.94 ? 193 LEU A CB 1 ATOM 1488 C CG . LEU A 1 193 ? -10.473 -0.221 53.318 1.00 66.92 ? 193 LEU A CG 1 ATOM 1489 C CD1 . LEU A 1 193 ? -11.230 -0.622 54.582 1.00 69.03 ? 193 LEU A CD1 1 ATOM 1490 C CD2 . LEU A 1 193 ? -9.264 -1.122 53.105 1.00 65.16 ? 193 LEU A CD2 1 ATOM 1491 N N . SER A 1 194 ? -12.260 -0.889 49.112 1.00 69.41 ? 194 SER A N 1 ATOM 1492 C CA . SER A 1 194 ? -13.336 -1.079 48.140 1.00 72.17 ? 194 SER A CA 1 ATOM 1493 C C . SER A 1 194 ? -13.724 -2.554 48.022 1.00 74.60 ? 194 SER A C 1 ATOM 1494 O O . SER A 1 194 ? -13.114 -3.418 48.658 1.00 73.91 ? 194 SER A O 1 ATOM 1495 C CB . SER A 1 194 ? -12.931 -0.525 46.771 1.00 71.25 ? 194 SER A CB 1 ATOM 1496 O OG . SER A 1 194 ? -11.932 -1.327 46.163 1.00 69.70 ? 194 SER A OG 1 ATOM 1497 N N . SER A 1 195 ? -14.742 -2.827 47.208 1.00 78.01 ? 195 SER A N 1 ATOM 1498 C CA . SER A 1 195 ? -15.227 -4.188 46.985 1.00 81.44 ? 195 SER A CA 1 ATOM 1499 C C . SER A 1 195 ? -15.689 -4.398 45.547 1.00 84.18 ? 195 SER A C 1 ATOM 1500 O O . SER A 1 195 ? -16.237 -3.490 44.918 1.00 84.99 ? 195 SER A O 1 ATOM 1501 C CB . SER A 1 195 ? -16.370 -4.520 47.950 1.00 84.64 ? 195 SER A CB 1 ATOM 1502 N N . VAL A 1 196 ? -15.458 -5.607 45.041 1.00 86.23 ? 196 VAL A N 1 ATOM 1503 C CA . VAL A 1 196 ? -15.930 -6.021 43.723 1.00 89.92 ? 196 VAL A CA 1 ATOM 1504 C C . VAL A 1 196 ? -16.492 -7.442 43.809 1.00 94.82 ? 196 VAL A C 1 ATOM 1505 O O . VAL A 1 196 ? -15.945 -8.275 44.539 1.00 94.42 ? 196 VAL A O 1 ATOM 1506 C CB . VAL A 1 196 ? -14.798 -5.981 42.679 1.00 87.67 ? 196 VAL A CB 1 ATOM 1507 N N . PRO A 1 197 ? -17.592 -7.724 43.079 1.00 100.06 ? 197 PRO A N 1 ATOM 1508 C CA . PRO A 1 197 ? -18.157 -9.079 43.094 1.00 105.62 ? 197 PRO A CA 1 ATOM 1509 C C . PRO A 1 197 ? -17.180 -10.106 42.518 1.00 106.25 ? 197 PRO A C 1 ATOM 1510 O O . PRO A 1 197 ? -16.430 -9.793 41.591 1.00 104.25 ? 197 PRO A O 1 ATOM 1511 C CB . PRO A 1 197 ? -19.402 -8.954 42.206 1.00 110.94 ? 197 PRO A CB 1 ATOM 1512 C CG . PRO A 1 197 ? -19.747 -7.503 42.237 1.00 108.24 ? 197 PRO A CG 1 ATOM 1513 C CD . PRO A 1 197 ? -18.424 -6.798 42.289 1.00 101.79 ? 197 PRO A CD 1 ATOM 1514 N N . SER A 1 198 ? -17.187 -11.314 43.080 1.00 109.39 ? 198 SER A N 1 ATOM 1515 C CA . SER A 1 198 ? -16.248 -12.363 42.680 1.00 110.62 ? 198 SER A CA 1 ATOM 1516 C C . SER A 1 198 ? -16.909 -13.741 42.580 1.00 118.16 ? 198 SER A C 1 ATOM 1517 O O . SER A 1 198 ? -18.060 -13.919 42.987 1.00 122.13 ? 198 SER A O 1 ATOM 1518 C CB . SER A 1 198 ? -15.061 -12.409 43.648 1.00 105.85 ? 198 SER A CB 1 ATOM 1519 N N . SER A 1 199 ? -16.168 -14.705 42.033 1.00 120.54 ? 199 SER A N 1 ATOM 1520 C CA . SER A 1 199 ? -16.650 -16.076 41.869 1.00 128.42 ? 199 SER A CA 1 ATOM 1521 C C . SER A 1 199 ? -16.730 -16.805 43.208 1.00 129.97 ? 199 SER A C 1 ATOM 1522 O O . SER A 1 199 ? -17.535 -17.720 43.380 1.00 136.79 ? 199 SER A O 1 ATOM 1523 C CB . SER A 1 199 ? -15.747 -16.851 40.906 1.00 130.76 ? 199 SER A CB 1 ATOM 1524 O OG . SER A 1 199 ? -15.740 -16.258 39.620 1.00 130.27 ? 199 SER A OG 1 ATOM 1525 N N . HIS A 1 203 ? -18.272 -15.224 47.193 1.00 122.84 ? 203 HIS A N 1 ATOM 1526 C CA . HIS A 1 203 ? -18.167 -14.122 48.142 1.00 117.20 ? 203 HIS A CA 1 ATOM 1527 C C . HIS A 1 203 ? -17.491 -12.902 47.517 1.00 110.87 ? 203 HIS A C 1 ATOM 1528 O O . HIS A 1 203 ? -16.671 -13.035 46.602 1.00 109.62 ? 203 HIS A O 1 ATOM 1529 C CB . HIS A 1 203 ? -17.408 -14.568 49.395 1.00 115.86 ? 203 HIS A CB 1 ATOM 1530 N N . ARG A 1 204 ? -17.843 -11.718 48.017 1.00 107.40 ? 204 ARG A N 1 ATOM 1531 C CA . ARG A 1 204 ? -17.279 -10.456 47.536 1.00 101.90 ? 204 ARG A CA 1 ATOM 1532 C C . ARG A 1 204 ? -15.787 -10.341 47.861 1.00 96.95 ? 204 ARG A C 1 ATOM 1533 O O . ARG A 1 204 ? -15.332 -10.830 48.897 1.00 96.72 ? 204 ARG A O 1 ATOM 1534 C CB . ARG A 1 204 ? -18.045 -9.269 48.127 1.00 100.33 ? 204 ARG A CB 1 ATOM 1535 N N . GLN A 1 205 ? -15.036 -9.699 46.967 1.00 93.51 ? 205 GLN A N 1 ATOM 1536 C CA . GLN A 1 205 ? -13.588 -9.544 47.129 1.00 89.08 ? 205 GLN A CA 1 ATOM 1537 C C . GLN A 1 205 ? -13.215 -8.135 47.584 1.00 84.14 ? 205 GLN A C 1 ATOM 1538 O O . GLN A 1 205 ? -13.251 -7.185 46.798 1.00 82.31 ? 205 GLN A O 1 ATOM 1539 C CB . GLN A 1 205 ? -12.853 -9.900 45.832 1.00 89.07 ? 205 GLN A CB 1 ATOM 1540 N N . LEU A 1 206 ? -12.864 -8.014 48.863 1.00 82.62 ? 206 LEU A N 1 ATOM 1541 C CA . LEU A 1 206 ? -12.470 -6.735 49.452 1.00 78.74 ? 206 LEU A CA 1 ATOM 1542 C C . LEU A 1 206 ? -11.059 -6.346 49.014 1.00 74.88 ? 206 LEU A C 1 ATOM 1543 O O . LEU A 1 206 ? -10.138 -7.167 49.049 1.00 74.79 ? 206 LEU A O 1 ATOM 1544 C CB . LEU A 1 206 ? -12.561 -6.796 50.980 1.00 79.10 ? 206 LEU A CB 1 ATOM 1545 N N . VAL A 1 207 ? -10.900 -5.094 48.591 1.00 72.18 ? 207 VAL A N 1 ATOM 1546 C CA . VAL A 1 207 ? -9.612 -4.607 48.104 1.00 68.68 ? 207 VAL A CA 1 ATOM 1547 C C . VAL A 1 207 ? -9.074 -3.500 49.005 1.00 66.09 ? 207 VAL A C 1 ATOM 1548 O O . VAL A 1 207 ? -9.782 -2.541 49.321 1.00 66.33 ? 207 VAL A O 1 ATOM 1549 C CB . VAL A 1 207 ? -9.694 -4.099 46.637 1.00 68.40 ? 207 VAL A CB 1 ATOM 1550 C CG1 . VAL A 1 207 ? -8.295 -3.883 46.066 1.00 65.34 ? 207 VAL A CG1 1 ATOM 1551 C CG2 . VAL A 1 207 ? -10.473 -5.078 45.761 1.00 71.87 ? 207 VAL A CG2 1 ATOM 1552 N N . CYS A 1 208 ? -7.819 -3.653 49.421 1.00 64.17 ? 208 CYS A N 1 ATOM 1553 C CA . CYS A 1 208 ? -7.114 -2.623 50.174 1.00 62.10 ? 208 CYS A CA 1 ATOM 1554 C C . CYS A 1 208 ? -6.043 -1.971 49.296 1.00 59.57 ? 208 CYS A C 1 ATOM 1555 O O . CYS A 1 208 ? -4.988 -2.559 49.045 1.00 58.63 ? 208 CYS A O 1 ATOM 1556 C CB . CYS A 1 208 ? -6.489 -3.213 51.439 1.00 62.45 ? 208 CYS A CB 1 ATOM 1557 S SG . CYS A 1 208 ? -5.571 -2.015 52.439 1.00 61.35 ? 208 CYS A SG 1 ATOM 1558 N N . HIS A 1 209 ? -6.331 -0.760 48.827 1.00 58.88 ? 209 HIS A N 1 ATOM 1559 C CA . HIS A 1 209 ? -5.409 -0.010 47.982 1.00 56.85 ? 209 HIS A CA 1 ATOM 1560 C C . HIS A 1 209 ? -4.482 0.825 48.854 1.00 55.58 ? 209 HIS A C 1 ATOM 1561 O O . HIS A 1 209 ? -4.941 1.568 49.723 1.00 56.40 ? 209 HIS A O 1 ATOM 1562 C CB . HIS A 1 209 ? -6.169 0.921 47.037 1.00 57.62 ? 209 HIS A CB 1 ATOM 1563 C CG . HIS A 1 209 ? -7.362 0.296 46.384 1.00 59.84 ? 209 HIS A CG 1 ATOM 1564 N ND1 . HIS A 1 209 ? -7.382 -0.056 45.053 1.00 60.46 ? 209 HIS A ND1 1 ATOM 1565 C CD2 . HIS A 1 209 ? -8.584 -0.022 46.875 1.00 62.20 ? 209 HIS A CD2 1 ATOM 1566 C CE1 . HIS A 1 209 ? -8.561 -0.570 44.752 1.00 63.30 ? 209 HIS A CE1 1 ATOM 1567 N NE2 . HIS A 1 209 ? -9.308 -0.563 45.841 1.00 64.27 ? 209 HIS A NE2 1 ATOM 1568 N N . VAL A 1 210 ? -3.179 0.695 48.623 1.00 54.04 ? 210 VAL A N 1 ATOM 1569 C CA . VAL A 1 210 ? -2.174 1.459 49.363 1.00 53.27 ? 210 VAL A CA 1 ATOM 1570 C C . VAL A 1 210 ? -1.319 2.224 48.360 1.00 52.14 ? 210 VAL A C 1 ATOM 1571 O O . VAL A 1 210 ? -0.722 1.621 47.466 1.00 51.26 ? 210 VAL A O 1 ATOM 1572 C CB . VAL A 1 210 ? -1.282 0.545 50.248 1.00 53.18 ? 210 VAL A CB 1 ATOM 1573 C CG1 . VAL A 1 210 ? -0.375 1.375 51.140 1.00 53.24 ? 210 VAL A CG1 1 ATOM 1574 C CG2 . VAL A 1 210 ? -2.131 -0.385 51.103 1.00 54.63 ? 210 VAL A CG2 1 ATOM 1575 N N . SER A 1 211 ? -1.266 3.547 48.501 1.00 52.69 ? 211 SER A N 1 ATOM 1576 C CA . SER A 1 211 ? -0.570 4.379 47.520 1.00 52.44 ? 211 SER A CA 1 ATOM 1577 C C . SER A 1 211 ? 0.229 5.533 48.117 1.00 53.26 ? 211 SER A C 1 ATOM 1578 O O . SER A 1 211 ? -0.209 6.190 49.067 1.00 54.82 ? 211 SER A O 1 ATOM 1579 C CB . SER A 1 211 ? -1.551 4.922 46.475 1.00 53.37 ? 211 SER A CB 1 ATOM 1580 O OG . SER A 1 211 ? -0.862 5.566 45.412 1.00 53.37 ? 211 SER A OG 1 ATOM 1581 N N . GLY A 1 212 ? 1.402 5.769 47.532 1.00 52.57 ? 212 GLY A N 1 ATOM 1582 C CA . GLY A 1 212 ? 2.215 6.937 47.843 1.00 53.80 ? 212 GLY A CA 1 ATOM 1583 C C . GLY A 1 212 ? 3.316 6.701 48.856 1.00 53.94 ? 212 GLY A C 1 ATOM 1584 O O . GLY A 1 212 ? 3.732 7.635 49.546 1.00 55.99 ? 212 GLY A O 1 ATOM 1585 N N . PHE A 1 213 ? 3.803 5.465 48.944 1.00 52.29 ? 213 PHE A N 1 ATOM 1586 C CA . PHE A 1 213 ? 4.840 5.140 49.921 1.00 52.79 ? 213 PHE A CA 1 ATOM 1587 C C . PHE A 1 213 ? 6.241 4.958 49.331 1.00 52.39 ? 213 PHE A C 1 ATOM 1588 O O . PHE A 1 213 ? 6.411 4.469 48.209 1.00 50.93 ? 213 PHE A O 1 ATOM 1589 C CB . PHE A 1 213 ? 4.442 3.936 50.794 1.00 52.51 ? 213 PHE A CB 1 ATOM 1590 C CG . PHE A 1 213 ? 4.192 2.665 50.026 1.00 50.34 ? 213 PHE A CG 1 ATOM 1591 C CD1 . PHE A 1 213 ? 2.917 2.354 49.564 1.00 49.53 ? 213 PHE A CD1 1 ATOM 1592 C CD2 . PHE A 1 213 ? 5.226 1.766 49.787 1.00 49.38 ? 213 PHE A CD2 1 ATOM 1593 C CE1 . PHE A 1 213 ? 2.678 1.175 48.861 1.00 48.51 ? 213 PHE A CE1 1 ATOM 1594 C CE2 . PHE A 1 213 ? 4.998 0.586 49.083 1.00 48.61 ? 213 PHE A CE2 1 ATOM 1595 C CZ . PHE A 1 213 ? 3.721 0.291 48.620 1.00 48.28 ? 213 PHE A CZ 1 ATOM 1596 N N . TYR A 1 214 ? 7.233 5.385 50.107 1.00 54.14 ? 214 TYR A N 1 ATOM 1597 C CA . TYR A 1 214 ? 8.639 5.149 49.807 1.00 54.35 ? 214 TYR A CA 1 ATOM 1598 C C . TYR A 1 214 ? 9.404 5.056 51.133 1.00 56.69 ? 214 TYR A C 1 ATOM 1599 O O . TYR A 1 214 ? 9.137 5.839 52.049 1.00 58.83 ? 214 TYR A O 1 ATOM 1600 C CB . TYR A 1 214 ? 9.206 6.262 48.921 1.00 54.88 ? 214 TYR A CB 1 ATOM 1601 C CG . TYR A 1 214 ? 10.525 5.900 48.274 1.00 54.78 ? 214 TYR A CG 1 ATOM 1602 C CD1 . TYR A 1 214 ? 11.736 6.289 48.848 1.00 57.02 ? 214 TYR A CD1 1 ATOM 1603 C CD2 . TYR A 1 214 ? 10.565 5.156 47.091 1.00 52.53 ? 214 TYR A CD2 1 ATOM 1604 C CE1 . TYR A 1 214 ? 12.950 5.951 48.262 1.00 56.93 ? 214 TYR A CE1 1 ATOM 1605 C CE2 . TYR A 1 214 ? 11.775 4.814 46.498 1.00 52.43 ? 214 TYR A CE2 1 ATOM 1606 C CZ . TYR A 1 214 ? 12.962 5.214 47.090 1.00 54.65 ? 214 TYR A CZ 1 ATOM 1607 O OH . TYR A 1 214 ? 14.165 4.882 46.512 1.00 55.35 ? 214 TYR A OH 1 ATOM 1608 N N . PRO A 1 215 ? 10.351 4.101 51.253 1.00 56.86 ? 215 PRO A N 1 ATOM 1609 C CA . PRO A 1 215 ? 10.833 3.146 50.251 1.00 55.21 ? 215 PRO A CA 1 ATOM 1610 C C . PRO A 1 215 ? 9.857 2.005 49.963 1.00 53.57 ? 215 PRO A C 1 ATOM 1611 O O . PRO A 1 215 ? 8.733 2.001 50.468 1.00 53.45 ? 215 PRO A O 1 ATOM 1612 C CB . PRO A 1 215 ? 12.136 2.603 50.870 1.00 57.15 ? 215 PRO A CB 1 ATOM 1613 C CG . PRO A 1 215 ? 12.391 3.425 52.100 1.00 59.92 ? 215 PRO A CG 1 ATOM 1614 C CD . PRO A 1 215 ? 11.051 3.910 52.534 1.00 59.57 ? 215 PRO A CD 1 ATOM 1615 N N . LYS A 1 216 ? 10.308 1.047 49.157 1.00 52.89 ? 216 LYS A N 1 ATOM 1616 C CA . LYS A 1 216 ? 9.475 -0.052 48.668 1.00 51.98 ? 216 LYS A CA 1 ATOM 1617 C C . LYS A 1 216 ? 9.047 -1.083 49.731 1.00 53.29 ? 216 LYS A C 1 ATOM 1618 O O . LYS A 1 216 ? 7.928 -1.599 49.650 1.00 53.07 ? 216 LYS A O 1 ATOM 1619 C CB . LYS A 1 216 ? 10.158 -0.739 47.479 1.00 51.55 ? 216 LYS A CB 1 ATOM 1620 C CG . LYS A 1 216 ? 9.239 -1.573 46.601 1.00 50.75 ? 216 LYS A CG 1 ATOM 1621 C CD . LYS A 1 216 ? 9.927 -1.921 45.290 1.00 50.68 ? 216 LYS A CD 1 ATOM 1622 C CE . LYS A 1 216 ? 9.419 -3.236 44.724 1.00 51.67 ? 216 LYS A CE 1 ATOM 1623 N NZ . LYS A 1 216 ? 10.236 -3.688 43.567 1.00 52.11 ? 216 LYS A NZ 1 ATOM 1624 N N . PRO A 1 217 ? 9.922 -1.395 50.721 1.00 55.21 ? 217 PRO A N 1 ATOM 1625 C CA . PRO A 1 217 ? 9.509 -2.363 51.748 1.00 56.88 ? 217 PRO A CA 1 ATOM 1626 C C . PRO A 1 217 ? 8.245 -1.935 52.489 1.00 56.76 ? 217 PRO A C 1 ATOM 1627 O O . PRO A 1 217 ? 8.246 -0.927 53.201 1.00 57.47 ? 217 PRO A O 1 ATOM 1628 C CB . PRO A 1 217 ? 10.705 -2.394 52.703 1.00 59.40 ? 217 PRO A CB 1 ATOM 1629 C CG . PRO A 1 217 ? 11.861 -2.026 51.857 1.00 58.98 ? 217 PRO A CG 1 ATOM 1630 C CD . PRO A 1 217 ? 11.337 -1.007 50.891 1.00 56.41 ? 217 PRO A CD 1 ATOM 1631 N N . VAL A 1 218 ? 7.177 -2.704 52.310 1.00 56.42 ? 218 VAL A N 1 ATOM 1632 C CA . VAL A 1 218 ? 5.887 -2.393 52.916 1.00 56.33 ? 218 VAL A CA 1 ATOM 1633 C C . VAL A 1 218 ? 5.263 -3.650 53.537 1.00 58.20 ? 218 VAL A C 1 ATOM 1634 O O . VAL A 1 218 ? 5.669 -4.772 53.231 1.00 59.18 ? 218 VAL A O 1 ATOM 1635 C CB . VAL A 1 218 ? 4.936 -1.724 51.877 1.00 54.20 ? 218 VAL A CB 1 ATOM 1636 C CG1 . VAL A 1 218 ? 4.331 -2.756 50.932 1.00 53.67 ? 218 VAL A CG1 1 ATOM 1637 C CG2 . VAL A 1 218 ? 3.848 -0.897 52.568 1.00 54.39 ? 218 VAL A CG2 1 ATOM 1638 N N . TRP A 1 219 ? 4.287 -3.451 54.416 1.00 59.15 ? 219 TRP A N 1 ATOM 1639 C CA . TRP A 1 219 ? 3.585 -4.556 55.055 1.00 61.52 ? 219 TRP A CA 1 ATOM 1640 C C . TRP A 1 219 ? 2.085 -4.287 55.049 1.00 61.12 ? 219 TRP A C 1 ATOM 1641 O O . TRP A 1 219 ? 1.606 -3.356 55.702 1.00 61.05 ? 219 TRP A O 1 ATOM 1642 C CB . TRP A 1 219 ? 4.104 -4.753 56.480 1.00 64.46 ? 219 TRP A CB 1 ATOM 1643 C CG . TRP A 1 219 ? 3.715 -6.056 57.121 1.00 67.86 ? 219 TRP A CG 1 ATOM 1644 C CD1 . TRP A 1 219 ? 4.369 -7.251 57.010 1.00 70.06 ? 219 TRP A CD1 1 ATOM 1645 C CD2 . TRP A 1 219 ? 2.599 -6.289 57.992 1.00 70.07 ? 219 TRP A CD2 1 ATOM 1646 N NE1 . TRP A 1 219 ? 3.726 -8.215 57.750 1.00 73.42 ? 219 TRP A NE1 1 ATOM 1647 C CE2 . TRP A 1 219 ? 2.637 -7.653 58.364 1.00 73.36 ? 219 TRP A CE2 1 ATOM 1648 C CE3 . TRP A 1 219 ? 1.565 -5.480 58.489 1.00 69.53 ? 219 TRP A CE3 1 ATOM 1649 C CZ2 . TRP A 1 219 ? 1.682 -8.228 59.211 1.00 76.19 ? 219 TRP A CZ2 1 ATOM 1650 C CZ3 . TRP A 1 219 ? 0.617 -6.051 59.332 1.00 72.32 ? 219 TRP A CZ3 1 ATOM 1651 C CH2 . TRP A 1 219 ? 0.684 -7.414 59.684 1.00 75.60 ? 219 TRP A CH2 1 ATOM 1652 N N . VAL A 1 220 ? 1.353 -5.096 54.288 1.00 61.25 ? 220 VAL A N 1 ATOM 1653 C CA . VAL A 1 220 ? -0.094 -4.949 54.166 1.00 61.39 ? 220 VAL A CA 1 ATOM 1654 C C . VAL A 1 220 ? -0.786 -6.277 54.458 1.00 64.35 ? 220 VAL A C 1 ATOM 1655 O O . VAL A 1 220 ? -0.489 -7.294 53.826 1.00 65.48 ? 220 VAL A O 1 ATOM 1656 C CB . VAL A 1 220 ? -0.507 -4.431 52.769 1.00 59.15 ? 220 VAL A CB 1 ATOM 1657 C CG1 . VAL A 1 220 ? -2.013 -4.229 52.695 1.00 59.77 ? 220 VAL A CG1 1 ATOM 1658 C CG2 . VAL A 1 220 ? 0.204 -3.121 52.449 1.00 57.04 ? 220 VAL A CG2 1 ATOM 1659 N N . MET A 1 221 ? -1.706 -6.254 55.420 1.00 66.10 ? 221 MET A N 1 ATOM 1660 C CA . MET A 1 221 ? -2.426 -7.450 55.841 1.00 69.49 ? 221 MET A CA 1 ATOM 1661 C C . MET A 1 221 ? -3.854 -7.103 56.264 1.00 70.36 ? 221 MET A C 1 ATOM 1662 O O . MET A 1 221 ? -4.090 -6.061 56.881 1.00 69.49 ? 221 MET A O 1 ATOM 1663 C CB . MET A 1 221 ? -1.678 -8.127 56.998 1.00 72.31 ? 221 MET A CB 1 ATOM 1664 C CG . MET A 1 221 ? -2.027 -9.597 57.236 1.00 76.78 ? 221 MET A CG 1 ATOM 1665 S SD . MET A 1 221 ? -1.429 -10.727 55.954 1.00 78.69 ? 221 MET A SD 1 ATOM 1666 C CE . MET A 1 221 ? 0.319 -10.840 56.341 1.00 78.78 ? 221 MET A CE 1 ATOM 1667 N N . TRP A 1 222 ? -4.800 -7.970 55.912 1.00 72.53 ? 222 TRP A N 1 ATOM 1668 C CA . TRP A 1 222 ? -6.167 -7.880 56.428 1.00 74.42 ? 222 TRP A CA 1 ATOM 1669 C C . TRP A 1 222 ? -6.249 -8.587 57.781 1.00 77.98 ? 222 TRP A C 1 ATOM 1670 O O . TRP A 1 222 ? -5.734 -9.696 57.941 1.00 80.38 ? 222 TRP A O 1 ATOM 1671 C CB . TRP A 1 222 ? -7.169 -8.492 55.445 1.00 75.89 ? 222 TRP A CB 1 ATOM 1672 C CG . TRP A 1 222 ? -7.544 -7.584 54.308 1.00 73.03 ? 222 TRP A CG 1 ATOM 1673 C CD1 . TRP A 1 222 ? -6.933 -7.500 53.092 1.00 70.71 ? 222 TRP A CD1 1 ATOM 1674 C CD2 . TRP A 1 222 ? -8.625 -6.640 54.279 1.00 72.55 ? 222 TRP A CD2 1 ATOM 1675 N NE1 . TRP A 1 222 ? -7.559 -6.561 52.309 1.00 69.09 ? 222 TRP A NE1 1 ATOM 1676 C CE2 . TRP A 1 222 ? -8.602 -6.018 53.012 1.00 70.18 ? 222 TRP A CE2 1 ATOM 1677 C CE3 . TRP A 1 222 ? -9.610 -6.259 55.203 1.00 74.22 ? 222 TRP A CE3 1 ATOM 1678 C CZ2 . TRP A 1 222 ? -9.524 -5.033 52.641 1.00 69.82 ? 222 TRP A CZ2 1 ATOM 1679 C CZ3 . TRP A 1 222 ? -10.528 -5.277 54.834 1.00 73.59 ? 222 TRP A CZ3 1 ATOM 1680 C CH2 . TRP A 1 222 ? -10.476 -4.677 53.563 1.00 71.67 ? 222 TRP A CH2 1 ATOM 1681 N N . MET A 1 223 ? -6.884 -7.938 58.754 1.00 78.75 ? 223 MET A N 1 ATOM 1682 C CA . MET A 1 223 ? -6.941 -8.472 60.117 1.00 82.44 ? 223 MET A CA 1 ATOM 1683 C C . MET A 1 223 ? -8.336 -8.392 60.738 1.00 84.98 ? 223 MET A C 1 ATOM 1684 O O . MET A 1 223 ? -8.968 -7.336 60.723 1.00 83.54 ? 223 MET A O 1 ATOM 1685 C CB . MET A 1 223 ? -5.942 -7.752 61.033 1.00 81.66 ? 223 MET A CB 1 ATOM 1686 C CG . MET A 1 223 ? -4.564 -7.478 60.434 1.00 78.87 ? 223 MET A CG 1 ATOM 1687 S SD . MET A 1 223 ? -3.215 -7.529 61.635 1.00 81.03 ? 223 MET A SD 1 ATOM 1688 C CE . MET A 1 223 ? -3.892 -6.595 63.009 1.00 82.82 ? 223 MET A CE 1 ATOM 1689 N N . ARG A 1 224 ? -8.804 -9.514 61.281 1.00 89.27 ? 224 ARG A N 1 ATOM 1690 C CA . ARG A 1 224 ? -10.014 -9.533 62.099 1.00 92.51 ? 224 ARG A CA 1 ATOM 1691 C C . ARG A 1 224 ? -9.591 -9.303 63.548 1.00 94.35 ? 224 ARG A C 1 ATOM 1692 O O . ARG A 1 224 ? -9.335 -10.253 64.293 1.00 98.18 ? 224 ARG A O 1 ATOM 1693 C CB . ARG A 1 224 ? -10.766 -10.862 61.935 1.00 96.90 ? 224 ARG A CB 1 ATOM 1694 C CG . ARG A 1 224 ? -12.067 -10.991 62.743 1.00 101.19 ? 224 ARG A CG 1 ATOM 1695 C CD . ARG A 1 224 ? -13.257 -10.301 62.076 1.00 100.66 ? 224 ARG A CD 1 ATOM 1696 N NE . ARG A 1 224 ? -13.663 -10.966 60.837 1.00 101.63 ? 224 ARG A NE 1 ATOM 1697 C CZ . ARG A 1 224 ? -14.739 -10.646 60.121 1.00 101.87 ? 224 ARG A CZ 1 ATOM 1698 N NH1 . ARG A 1 224 ? -15.544 -9.664 60.511 1.00 101.45 ? 224 ARG A NH1 1 ATOM 1699 N NH2 . ARG A 1 224 ? -15.015 -11.315 59.010 1.00 103.05 ? 224 ARG A NH2 1 ATOM 1700 N N . GLY A 1 225 ? -9.498 -8.031 63.932 1.00 92.18 ? 225 GLY A N 1 ATOM 1701 C CA . GLY A 1 225 ? -8.987 -7.648 65.247 1.00 93.93 ? 225 GLY A CA 1 ATOM 1702 C C . GLY A 1 225 ? -7.492 -7.893 65.352 1.00 93.21 ? 225 GLY A C 1 ATOM 1703 O O . GLY A 1 225 ? -6.687 -7.083 64.887 1.00 89.73 ? 225 GLY A O 1 ATOM 1704 N N . ASP A 1 226 ? -7.128 -9.021 65.959 1.00 96.96 ? 226 ASP A N 1 ATOM 1705 C CA . ASP A 1 226 ? -5.730 -9.435 66.092 1.00 97.27 ? 226 ASP A CA 1 ATOM 1706 C C . ASP A 1 226 ? -5.357 -10.547 65.115 1.00 97.17 ? 226 ASP A C 1 ATOM 1707 O O . ASP A 1 226 ? -4.192 -10.682 64.732 1.00 95.79 ? 226 ASP A O 1 ATOM 1708 C CB . ASP A 1 226 ? -5.440 -9.894 67.525 1.00 102.42 ? 226 ASP A CB 1 ATOM 1709 C CG . ASP A 1 226 ? -5.138 -8.739 68.464 1.00 102.54 ? 226 ASP A CG 1 ATOM 1710 O OD1 . ASP A 1 226 ? -5.209 -8.948 69.695 1.00 106.94 ? 226 ASP A OD1 1 ATOM 1711 O OD2 . ASP A 1 226 ? -4.825 -7.628 67.978 1.00 98.50 ? 226 ASP A OD2 1 ATOM 1712 N N . GLN A 1 227 ? -6.352 -11.344 64.727 1.00 99.08 ? 227 GLN A N 1 ATOM 1713 C CA . GLN A 1 227 ? -6.143 -12.479 63.833 1.00 100.19 ? 227 GLN A CA 1 ATOM 1714 C C . GLN A 1 227 ? -5.858 -12.024 62.404 1.00 95.25 ? 227 GLN A C 1 ATOM 1715 O O . GLN A 1 227 ? -6.726 -11.453 61.736 1.00 92.88 ? 227 GLN A O 1 ATOM 1716 C CB . GLN A 1 227 ? -7.349 -13.424 63.868 1.00 104.45 ? 227 GLN A CB 1 ATOM 1717 N N . GLU A 1 228 ? -4.627 -12.270 61.956 1.00 94.08 ? 228 GLU A N 1 ATOM 1718 C CA . GLU A 1 228 ? -4.208 -11.958 60.591 1.00 89.95 ? 228 GLU A CA 1 ATOM 1719 C C . GLU A 1 228 ? -4.871 -12.934 59.625 1.00 91.84 ? 228 GLU A C 1 ATOM 1720 O O . GLU A 1 228 ? -4.691 -14.149 59.741 1.00 96.23 ? 228 GLU A O 1 ATOM 1721 C CB . GLU A 1 228 ? -2.681 -12.031 60.459 1.00 88.95 ? 228 GLU A CB 1 ATOM 1722 C CG . GLU A 1 228 ? -1.919 -10.993 61.290 1.00 87.29 ? 228 GLU A CG 1 ATOM 1723 C CD . GLU A 1 228 ? -0.408 -11.015 61.069 1.00 86.40 ? 228 GLU A CD 1 ATOM 1724 O OE1 . GLU A 1 228 ? 0.066 -11.669 60.115 1.00 86.18 ? 228 GLU A OE1 1 ATOM 1725 O OE2 . GLU A 1 228 ? 0.311 -10.363 61.856 1.00 86.24 ? 228 GLU A OE2 1 ATOM 1726 N N . GLN A 1 229 ? -5.649 -12.395 58.687 1.00 89.22 ? 229 GLN A N 1 ATOM 1727 C CA . GLN A 1 229 ? -6.375 -13.213 57.714 1.00 91.36 ? 229 GLN A CA 1 ATOM 1728 C C . GLN A 1 229 ? -5.414 -13.945 56.776 1.00 91.66 ? 229 GLN A C 1 ATOM 1729 O O . GLN A 1 229 ? -4.615 -13.316 56.077 1.00 87.67 ? 229 GLN A O 1 ATOM 1730 C CB . GLN A 1 229 ? -7.367 -12.361 56.917 1.00 88.62 ? 229 GLN A CB 1 ATOM 1731 N N . GLN A 1 230 ? -5.497 -15.275 56.782 1.00 96.89 ? 230 GLN A N 1 ATOM 1732 C CA . GLN A 1 230 ? -4.608 -16.125 55.988 1.00 98.48 ? 230 GLN A CA 1 ATOM 1733 C C . GLN A 1 230 ? -4.831 -15.963 54.484 1.00 96.48 ? 230 GLN A C 1 ATOM 1734 O O . GLN A 1 230 ? -3.876 -15.976 53.706 1.00 94.80 ? 230 GLN A O 1 ATOM 1735 C CB . GLN A 1 230 ? -4.769 -17.596 56.391 1.00 105.60 ? 230 GLN A CB 1 ATOM 1736 N N . GLY A 1 231 ? -6.091 -15.794 54.089 1.00 96.97 ? 231 GLY A N 1 ATOM 1737 C CA . GLY A 1 231 ? -6.467 -15.689 52.679 1.00 96.14 ? 231 GLY A CA 1 ATOM 1738 C C . GLY A 1 231 ? -6.148 -14.362 52.013 1.00 89.95 ? 231 GLY A C 1 ATOM 1739 O O . GLY A 1 231 ? -6.719 -14.039 50.968 1.00 89.13 ? 231 GLY A O 1 ATOM 1740 N N . THR A 1 232 ? -5.240 -13.597 52.616 1.00 86.21 ? 232 THR A N 1 ATOM 1741 C CA . THR A 1 232 ? -4.779 -12.327 52.055 1.00 80.86 ? 232 THR A CA 1 ATOM 1742 C C . THR A 1 232 ? -3.834 -12.584 50.878 1.00 80.08 ? 232 THR A C 1 ATOM 1743 O O . THR A 1 232 ? -2.968 -13.462 50.945 1.00 82.30 ? 232 THR A O 1 ATOM 1744 C CB . THR A 1 232 ? -4.073 -11.453 53.129 1.00 77.96 ? 232 THR A CB 1 ATOM 1745 O OG1 . THR A 1 232 ? -4.917 -11.326 54.281 1.00 79.47 ? 232 THR A OG1 1 ATOM 1746 C CG2 . THR A 1 232 ? -3.753 -10.058 52.592 1.00 72.96 ? 232 THR A CG2 1 ATOM 1747 N N . HIS A 1 233 ? -4.021 -11.826 49.800 1.00 77.39 ? 233 HIS A N 1 ATOM 1748 C CA . HIS A 1 233 ? -3.163 -11.922 48.622 1.00 76.48 ? 233 HIS A CA 1 ATOM 1749 C C . HIS A 1 233 ? -2.536 -10.572 48.278 1.00 71.47 ? 233 HIS A C 1 ATOM 1750 O O . HIS A 1 233 ? -3.242 -9.595 48.008 1.00 69.36 ? 233 HIS A O 1 ATOM 1751 C CB . HIS A 1 233 ? -3.944 -12.472 47.426 1.00 79.32 ? 233 HIS A CB 1 ATOM 1752 C CG . HIS A 1 233 ? -4.355 -13.904 47.579 1.00 85.33 ? 233 HIS A CG 1 ATOM 1753 N ND1 . HIS A 1 233 ? -3.511 -14.955 47.292 1.00 88.69 ? 233 HIS A ND1 1 ATOM 1754 C CD2 . HIS A 1 233 ? -5.521 -14.458 47.988 1.00 89.26 ? 233 HIS A CD2 1 ATOM 1755 C CE1 . HIS A 1 233 ? -4.139 -16.096 47.517 1.00 94.17 ? 233 HIS A CE1 1 ATOM 1756 N NE2 . HIS A 1 233 ? -5.360 -15.823 47.940 1.00 94.71 ? 233 HIS A NE2 1 ATOM 1757 N N . ARG A 1 234 ? -1.206 -10.527 48.305 1.00 70.07 ? 234 ARG A N 1 ATOM 1758 C CA . ARG A 1 234 ? -0.457 -9.333 47.923 1.00 65.96 ? 234 ARG A CA 1 ATOM 1759 C C . ARG A 1 234 ? -0.309 -9.279 46.408 1.00 65.53 ? 234 ARG A C 1 ATOM 1760 O O . ARG A 1 234 ? 0.003 -10.288 45.771 1.00 68.12 ? 234 ARG A O 1 ATOM 1761 C CB . ARG A 1 234 ? 0.921 -9.323 48.590 1.00 65.13 ? 234 ARG A CB 1 ATOM 1762 N N . GLY A 1 235 ? -0.544 -8.102 45.835 1.00 62.75 ? 235 GLY A N 1 ATOM 1763 C CA . GLY A 1 235 ? -0.404 -7.902 44.394 1.00 62.43 ? 235 GLY A CA 1 ATOM 1764 C C . GLY A 1 235 ? 1.011 -7.530 43.995 1.00 60.40 ? 235 GLY A C 1 ATOM 1765 O O . GLY A 1 235 ? 1.963 -7.762 44.746 1.00 60.03 ? 235 GLY A O 1 ATOM 1766 N N . ASP A 1 236 ? 1.147 -6.955 42.803 1.00 59.48 ? 236 ASP A N 1 ATOM 1767 C CA . ASP A 1 236 ? 2.434 -6.474 42.314 1.00 57.73 ? 236 ASP A CA 1 ATOM 1768 C C . ASP A 1 236 ? 2.657 -5.029 42.746 1.00 54.68 ? 236 ASP A C 1 ATOM 1769 O O . ASP A 1 236 ? 1.707 -4.246 42.825 1.00 54.02 ? 236 ASP A O 1 ATOM 1770 C CB . ASP A 1 236 ? 2.503 -6.568 40.785 1.00 58.84 ? 236 ASP A CB 1 ATOM 1771 C CG . ASP A 1 236 ? 2.446 -8.001 40.274 1.00 62.63 ? 236 ASP A CG 1 ATOM 1772 O OD1 . ASP A 1 236 ? 3.215 -8.854 40.768 1.00 63.90 ? 236 ASP A OD1 1 ATOM 1773 O OD2 . ASP A 1 236 ? 1.636 -8.270 39.361 1.00 64.94 ? 236 ASP A OD2 1 ATOM 1774 N N . PHE A 1 237 ? 3.911 -4.685 43.032 1.00 53.36 ? 237 PHE A N 1 ATOM 1775 C CA . PHE A 1 237 ? 4.290 -3.299 43.288 1.00 51.19 ? 237 PHE A CA 1 ATOM 1776 C C . PHE A 1 237 ? 4.192 -2.513 41.982 1.00 50.70 ? 237 PHE A C 1 ATOM 1777 O O . PHE A 1 237 ? 4.870 -2.831 40.999 1.00 51.19 ? 237 PHE A O 1 ATOM 1778 C CB . PHE A 1 237 ? 5.706 -3.214 43.870 1.00 50.59 ? 237 PHE A CB 1 ATOM 1779 C CG . PHE A 1 237 ? 5.800 -3.640 45.309 1.00 51.52 ? 237 PHE A CG 1 ATOM 1780 C CD1 . PHE A 1 237 ? 5.701 -2.702 46.334 1.00 51.23 ? 237 PHE A CD1 1 ATOM 1781 C CD2 . PHE A 1 237 ? 5.986 -4.979 45.647 1.00 53.73 ? 237 PHE A CD2 1 ATOM 1782 C CE1 . PHE A 1 237 ? 5.785 -3.090 47.675 1.00 52.09 ? 237 PHE A CE1 1 ATOM 1783 C CE2 . PHE A 1 237 ? 6.070 -5.377 46.987 1.00 54.85 ? 237 PHE A CE2 1 ATOM 1784 C CZ . PHE A 1 237 ? 5.972 -4.429 48.001 1.00 53.73 ? 237 PHE A CZ 1 ATOM 1785 N N . LEU A 1 238 ? 3.326 -1.506 41.970 1.00 50.12 ? 238 LEU A N 1 ATOM 1786 C CA . LEU A 1 238 ? 3.102 -0.707 40.772 1.00 50.25 ? 238 LEU A CA 1 ATOM 1787 C C . LEU A 1 238 ? 3.595 0.723 40.982 1.00 49.20 ? 238 LEU A C 1 ATOM 1788 O O . LEU A 1 238 ? 3.327 1.322 42.022 1.00 48.86 ? 238 LEU A O 1 ATOM 1789 C CB . LEU A 1 238 ? 1.620 -0.725 40.374 1.00 51.57 ? 238 LEU A CB 1 ATOM 1790 C CG . LEU A 1 238 ? 0.899 -2.075 40.264 1.00 53.28 ? 238 LEU A CG 1 ATOM 1791 C CD1 . LEU A 1 238 ? -0.544 -1.864 39.840 1.00 54.64 ? 238 LEU A CD1 1 ATOM 1792 C CD2 . LEU A 1 238 ? 1.605 -3.032 39.306 1.00 54.31 ? 238 LEU A CD2 1 ATOM 1793 N N . PRO A 1 239 ? 4.327 1.274 39.997 1.00 49.25 ? 239 PRO A N 1 ATOM 1794 C CA . PRO A 1 239 ? 4.926 2.591 40.178 1.00 48.96 ? 239 PRO A CA 1 ATOM 1795 C C . PRO A 1 239 ? 3.928 3.745 40.089 1.00 49.91 ? 239 PRO A C 1 ATOM 1796 O O . PRO A 1 239 ? 2.912 3.646 39.399 1.00 50.96 ? 239 PRO A O 1 ATOM 1797 C CB . PRO A 1 239 ? 5.923 2.676 39.020 1.00 49.24 ? 239 PRO A CB 1 ATOM 1798 C CG . PRO A 1 239 ? 5.333 1.822 37.965 1.00 50.07 ? 239 PRO A CG 1 ATOM 1799 C CD . PRO A 1 239 ? 4.669 0.691 38.687 1.00 50.06 ? 239 PRO A CD 1 ATOM 1800 N N . ASN A 1 240 ? 4.227 4.823 40.803 1.00 50.13 ? 240 ASN A N 1 ATOM 1801 C CA . ASN A 1 240 ? 3.556 6.094 40.599 1.00 51.72 ? 240 ASN A CA 1 ATOM 1802 C C . ASN A 1 240 ? 4.485 7.020 39.827 1.00 52.81 ? 240 ASN A C 1 ATOM 1803 O O . ASN A 1 240 ? 5.692 6.766 39.741 1.00 52.11 ? 240 ASN A O 1 ATOM 1804 C CB . ASN A 1 240 ? 3.165 6.722 41.936 1.00 52.20 ? 240 ASN A CB 1 ATOM 1805 C CG . ASN A 1 240 ? 2.032 5.984 42.621 1.00 51.90 ? 240 ASN A CG 1 ATOM 1806 O OD1 . ASN A 1 240 ? 1.134 5.449 41.967 1.00 52.25 ? 240 ASN A OD1 1 ATOM 1807 N ND2 . ASN A 1 240 ? 2.058 5.968 43.949 1.00 51.76 ? 240 ASN A ND2 1 ATOM 1808 N N . ALA A 1 241 ? 3.923 8.087 39.264 1.00 54.88 ? 241 ALA A N 1 ATOM 1809 C CA . ALA A 1 241 ? 4.696 9.047 38.482 1.00 56.60 ? 241 ALA A CA 1 ATOM 1810 C C . ALA A 1 241 ? 5.652 9.853 39.357 1.00 57.36 ? 241 ALA A C 1 ATOM 1811 O O . ALA A 1 241 ? 6.749 10.201 38.921 1.00 58.07 ? 241 ALA A O 1 ATOM 1812 C CB . ALA A 1 241 ? 3.771 9.973 37.716 1.00 59.31 ? 241 ALA A CB 1 ATOM 1813 N N . ASP A 1 242 ? 5.232 10.136 40.590 1.00 57.69 ? 242 ASP A N 1 ATOM 1814 C CA . ASP A 1 242 ? 6.016 10.966 41.512 1.00 59.34 ? 242 ASP A CA 1 ATOM 1815 C C . ASP A 1 242 ? 7.028 10.164 42.336 1.00 57.59 ? 242 ASP A C 1 ATOM 1816 O O . ASP A 1 242 ? 7.393 10.555 43.449 1.00 58.70 ? 242 ASP A O 1 ATOM 1817 C CB . ASP A 1 242 ? 5.093 11.789 42.424 1.00 61.46 ? 242 ASP A CB 1 ATOM 1818 C CG . ASP A 1 242 ? 3.957 10.968 43.012 1.00 60.09 ? 242 ASP A CG 1 ATOM 1819 O OD1 . ASP A 1 242 ? 4.169 9.772 43.314 1.00 57.65 ? 242 ASP A OD1 1 ATOM 1820 O OD2 . ASP A 1 242 ? 2.849 11.530 43.175 1.00 62.20 ? 242 ASP A OD2 1 ATOM 1821 N N . GLU A 1 243 ? 7.475 9.046 41.764 1.00 55.46 ? 243 GLU A N 1 ATOM 1822 C CA . GLU A 1 243 ? 8.462 8.149 42.377 1.00 54.13 ? 243 GLU A CA 1 ATOM 1823 C C . GLU A 1 243 ? 8.050 7.607 43.748 1.00 53.35 ? 243 GLU A C 1 ATOM 1824 O O . GLU A 1 243 ? 8.828 7.643 44.704 1.00 53.98 ? 243 GLU A O 1 ATOM 1825 C CB . GLU A 1 243 ? 9.841 8.809 42.433 1.00 55.84 ? 243 GLU A CB 1 ATOM 1826 C CG . GLU A 1 243 ? 10.442 9.099 41.068 1.00 56.84 ? 243 GLU A CG 1 ATOM 1827 C CD . GLU A 1 243 ? 11.912 9.450 41.151 1.00 58.97 ? 243 GLU A CD 1 ATOM 1828 O OE1 . GLU A 1 243 ? 12.673 9.038 40.248 1.00 58.80 ? 243 GLU A OE1 1 ATOM 1829 O OE2 . GLU A 1 243 ? 12.307 10.128 42.125 1.00 61.19 ? 243 GLU A OE2 1 ATOM 1830 N N . THR A 1 244 ? 6.812 7.120 43.825 1.00 52.42 ? 244 THR A N 1 ATOM 1831 C CA . THR A 1 244 ? 6.313 6.390 44.990 1.00 51.81 ? 244 THR A CA 1 ATOM 1832 C C . THR A 1 244 ? 5.664 5.080 44.531 1.00 50.28 ? 244 THR A C 1 ATOM 1833 O O . THR A 1 244 ? 5.491 4.857 43.331 1.00 49.92 ? 244 THR A O 1 ATOM 1834 C CB . THR A 1 244 ? 5.299 7.217 45.803 1.00 53.25 ? 244 THR A CB 1 ATOM 1835 O OG1 . THR A 1 244 ? 4.218 7.623 44.955 1.00 53.83 ? 244 THR A OG1 1 ATOM 1836 C CG2 . THR A 1 244 ? 5.963 8.447 46.418 1.00 55.46 ? 244 THR A CG2 1 ATOM 1837 N N . TRP A 1 245 ? 5.305 4.218 45.479 1.00 49.98 ? 245 TRP A N 1 ATOM 1838 C CA . TRP A 1 245 ? 4.787 2.890 45.139 1.00 49.24 ? 245 TRP A CA 1 ATOM 1839 C C . TRP A 1 245 ? 3.302 2.697 45.422 1.00 49.58 ? 245 TRP A C 1 ATOM 1840 O O . TRP A 1 245 ? 2.749 3.280 46.360 1.00 50.40 ? 245 TRP A O 1 ATOM 1841 C CB . TRP A 1 245 ? 5.609 1.793 45.821 1.00 49.13 ? 245 TRP A CB 1 ATOM 1842 C CG . TRP A 1 245 ? 6.993 1.676 45.265 1.00 49.07 ? 245 TRP A CG 1 ATOM 1843 C CD1 . TRP A 1 245 ? 8.151 2.100 45.851 1.00 49.68 ? 245 TRP A CD1 1 ATOM 1844 C CD2 . TRP A 1 245 ? 7.365 1.115 43.999 1.00 48.75 ? 245 TRP A CD2 1 ATOM 1845 N NE1 . TRP A 1 245 ? 9.223 1.830 45.035 1.00 49.68 ? 245 TRP A NE1 1 ATOM 1846 C CE2 . TRP A 1 245 ? 8.770 1.225 43.891 1.00 49.15 ? 245 TRP A CE2 1 ATOM 1847 C CE3 . TRP A 1 245 ? 6.648 0.524 42.949 1.00 48.78 ? 245 TRP A CE3 1 ATOM 1848 C CZ2 . TRP A 1 245 ? 9.477 0.765 42.771 1.00 49.03 ? 245 TRP A CZ2 1 ATOM 1849 C CZ3 . TRP A 1 245 ? 7.351 0.069 41.832 1.00 49.08 ? 245 TRP A CZ3 1 ATOM 1850 C CH2 . TRP A 1 245 ? 8.753 0.193 41.756 1.00 49.19 ? 245 TRP A CH2 1 ATOM 1851 N N . TYR A 1 246 ? 2.674 1.874 44.585 1.00 49.47 ? 246 TYR A N 1 ATOM 1852 C CA . TYR A 1 246 ? 1.280 1.476 44.737 1.00 50.24 ? 246 TYR A CA 1 ATOM 1853 C C . TYR A 1 246 ? 1.216 -0.040 44.908 1.00 50.55 ? 246 TYR A C 1 ATOM 1854 O O . TYR A 1 246 ? 1.960 -0.777 44.254 1.00 50.57 ? 246 TYR A O 1 ATOM 1855 C CB . TYR A 1 246 ? 0.461 1.922 43.517 1.00 50.99 ? 246 TYR A CB 1 ATOM 1856 C CG . TYR A 1 246 ? -0.972 1.419 43.485 1.00 52.60 ? 246 TYR A CG 1 ATOM 1857 C CD1 . TYR A 1 246 ? -2.004 2.150 44.075 1.00 53.66 ? 246 TYR A CD1 1 ATOM 1858 C CD2 . TYR A 1 246 ? -1.295 0.213 42.857 1.00 53.57 ? 246 TYR A CD2 1 ATOM 1859 C CE1 . TYR A 1 246 ? -3.322 1.689 44.046 1.00 55.28 ? 246 TYR A CE1 1 ATOM 1860 C CE2 . TYR A 1 246 ? -2.606 -0.255 42.824 1.00 55.27 ? 246 TYR A CE2 1 ATOM 1861 C CZ . TYR A 1 246 ? -3.612 0.486 43.418 1.00 56.02 ? 246 TYR A CZ 1 ATOM 1862 O OH . TYR A 1 246 ? -4.908 0.021 43.381 1.00 58.15 ? 246 TYR A OH 1 ATOM 1863 N N . LEU A 1 247 ? 0.327 -0.495 45.791 1.00 51.30 ? 247 LEU A N 1 ATOM 1864 C CA . LEU A 1 247 ? 0.116 -1.922 46.044 1.00 52.36 ? 247 LEU A CA 1 ATOM 1865 C C . LEU A 1 247 ? -1.299 -2.169 46.556 1.00 53.84 ? 247 LEU A C 1 ATOM 1866 O O . LEU A 1 247 ? -1.802 -1.412 47.392 1.00 53.80 ? 247 LEU A O 1 ATOM 1867 C CB . LEU A 1 247 ? 1.132 -2.444 47.067 1.00 52.30 ? 247 LEU A CB 1 ATOM 1868 C CG . LEU A 1 247 ? 1.135 -3.941 47.394 1.00 54.05 ? 247 LEU A CG 1 ATOM 1869 C CD1 . LEU A 1 247 ? 1.894 -4.735 46.338 1.00 54.43 ? 247 LEU A CD1 1 ATOM 1870 C CD2 . LEU A 1 247 ? 1.729 -4.182 48.770 1.00 54.52 ? 247 LEU A CD2 1 ATOM 1871 N N . GLN A 1 248 ? -1.936 -3.228 46.058 1.00 55.54 ? 248 GLN A N 1 ATOM 1872 C CA . GLN A 1 248 ? -3.257 -3.623 46.546 1.00 57.48 ? 248 GLN A CA 1 ATOM 1873 C C . GLN A 1 248 ? -3.255 -5.014 47.188 1.00 59.53 ? 248 GLN A C 1 ATOM 1874 O O . GLN A 1 248 ? -2.525 -5.910 46.754 1.00 60.28 ? 248 GLN A O 1 ATOM 1875 C CB . GLN A 1 248 ? -4.318 -3.521 45.441 1.00 58.86 ? 248 GLN A CB 1 ATOM 1876 C CG . GLN A 1 248 ? -4.230 -4.584 44.351 1.00 60.94 ? 248 GLN A CG 1 ATOM 1877 C CD . GLN A 1 248 ? -5.462 -4.630 43.466 1.00 63.59 ? 248 GLN A CD 1 ATOM 1878 O OE1 . GLN A 1 248 ? -6.068 -3.598 43.161 1.00 63.11 ? 248 GLN A OE1 1 ATOM 1879 N NE2 . GLN A 1 248 ? -5.836 -5.835 43.040 1.00 66.61 ? 248 GLN A NE2 1 ATOM 1880 N N . ALA A 1 249 ? -4.071 -5.173 48.230 1.00 60.88 ? 249 ALA A N 1 ATOM 1881 C CA . ALA A 1 249 ? -4.225 -6.453 48.923 1.00 63.53 ? 249 ALA A CA 1 ATOM 1882 C C . ALA A 1 249 ? -5.683 -6.896 48.912 1.00 66.39 ? 249 ALA A C 1 ATOM 1883 O O . ALA A 1 249 ? -6.585 -6.095 49.169 1.00 66.22 ? 249 ALA A O 1 ATOM 1884 C CB . ALA A 1 249 ? -3.710 -6.358 50.348 1.00 63.19 ? 249 ALA A CB 1 ATOM 1885 N N . THR A 1 250 ? -5.906 -8.173 48.614 1.00 69.57 ? 250 THR A N 1 ATOM 1886 C CA . THR A 1 250 ? -7.260 -8.710 48.493 1.00 73.13 ? 250 THR A CA 1 ATOM 1887 C C . THR A 1 250 ? -7.537 -9.839 49.487 1.00 76.70 ? 250 THR A C 1 ATOM 1888 O O . THR A 1 250 ? -6.651 -10.639 49.799 1.00 77.65 ? 250 THR A O 1 ATOM 1889 C CB . THR A 1 250 ? -7.555 -9.207 47.054 1.00 75.20 ? 250 THR A CB 1 ATOM 1890 O OG1 . THR A 1 250 ? -6.588 -10.195 46.674 1.00 76.57 ? 250 THR A OG1 1 ATOM 1891 C CG2 . THR A 1 250 ? -7.514 -8.053 46.057 1.00 72.46 ? 250 THR A CG2 1 ATOM 1892 N N . LEU A 1 251 ? -8.772 -9.886 49.985 1.00 79.03 ? 251 LEU A N 1 ATOM 1893 C CA . LEU A 1 251 ? -9.234 -10.981 50.835 1.00 83.28 ? 251 LEU A CA 1 ATOM 1894 C C . LEU A 1 251 ? -10.561 -11.522 50.315 1.00 87.51 ? 251 LEU A C 1 ATOM 1895 O O . LEU A 1 251 ? -11.515 -10.764 50.116 1.00 87.12 ? 251 LEU A O 1 ATOM 1896 C CB . LEU A 1 251 ? -9.374 -10.529 52.291 1.00 82.64 ? 251 LEU A CB 1 ATOM 1897 N N . ASP A 1 252 ? -10.609 -12.833 50.089 1.00 92.05 ? 252 ASP A N 1 ATOM 1898 C CA . ASP A 1 252 ? -11.804 -13.492 49.571 1.00 97.08 ? 252 ASP A CA 1 ATOM 1899 C C . ASP A 1 252 ? -12.707 -13.962 50.709 1.00 100.77 ? 252 ASP A C 1 ATOM 1900 O O . ASP A 1 252 ? -13.610 -13.244 51.138 1.00 100.06 ? 252 ASP A O 1 ATOM 1901 C CB . ASP A 1 252 ? -11.415 -14.675 48.679 1.00 101.08 ? 252 ASP A CB 1 ATOM 1902 C CG . ASP A 1 252 ? -12.596 -15.242 47.911 1.00 106.67 ? 252 ASP A CG 1 ATOM 1903 O OD1 . ASP A 1 252 ? -13.042 -16.359 48.249 1.00 112.50 ? 252 ASP A OD1 1 ATOM 1904 O OD2 . ASP A 1 252 ? -13.083 -14.570 46.976 1.00 105.79 ? 252 ASP A OD2 1 ATOM 1905 N N . GLY A 1 256 ? -19.790 -12.646 51.811 1.00 115.76 ? 256 GLY A N 1 ATOM 1906 C CA . GLY A 1 256 ? -19.273 -13.068 53.107 1.00 115.64 ? 256 GLY A CA 1 ATOM 1907 C C . GLY A 1 256 ? -19.764 -12.198 54.249 1.00 114.25 ? 256 GLY A C 1 ATOM 1908 O O . GLY A 1 256 ? -20.943 -11.831 54.301 1.00 116.76 ? 256 GLY A O 1 ATOM 1909 N N . GLU A 1 257 ? -18.854 -11.883 55.171 1.00 110.73 ? 257 GLU A N 1 ATOM 1910 C CA . GLU A 1 257 ? -19.145 -11.012 56.312 1.00 109.31 ? 257 GLU A CA 1 ATOM 1911 C C . GLU A 1 257 ? -17.978 -10.057 56.549 1.00 103.33 ? 257 GLU A C 1 ATOM 1912 O O . GLU A 1 257 ? -16.921 -10.457 57.046 1.00 102.08 ? 257 GLU A O 1 ATOM 1913 C CB . GLU A 1 257 ? -19.437 -11.835 57.571 1.00 113.56 ? 257 GLU A CB 1 ATOM 1914 N N . GLU A 1 258 ? -18.185 -8.792 56.188 1.00 100.22 ? 258 GLU A N 1 ATOM 1915 C CA . GLU A 1 258 ? -17.122 -7.782 56.187 1.00 94.93 ? 258 GLU A CA 1 ATOM 1916 C C . GLU A 1 258 ? -17.026 -6.947 57.471 1.00 93.89 ? 258 GLU A C 1 ATOM 1917 O O . GLU A 1 258 ? -15.977 -6.368 57.760 1.00 90.51 ? 258 GLU A O 1 ATOM 1918 C CB . GLU A 1 258 ? -17.244 -6.863 54.960 1.00 92.48 ? 258 GLU A CB 1 ATOM 1919 C CG . GLU A 1 258 ? -18.679 -6.497 54.560 1.00 95.56 ? 258 GLU A CG 1 ATOM 1920 C CD . GLU A 1 258 ? -19.256 -7.417 53.493 1.00 98.82 ? 258 GLU A CD 1 ATOM 1921 O OE1 . GLU A 1 258 ? -18.633 -7.552 52.416 1.00 96.86 ? 258 GLU A OE1 1 ATOM 1922 O OE2 . GLU A 1 258 ? -20.339 -7.995 53.726 1.00 103.23 ? 258 GLU A OE2 1 ATOM 1923 N N . ALA A 1 259 ? -18.115 -6.891 58.234 1.00 97.26 ? 259 ALA A N 1 ATOM 1924 C CA . ALA A 1 259 ? -18.158 -6.105 59.467 1.00 97.21 ? 259 ALA A CA 1 ATOM 1925 C C . ALA A 1 259 ? -17.266 -6.694 60.568 1.00 97.53 ? 259 ALA A C 1 ATOM 1926 O O . ALA A 1 259 ? -17.630 -7.680 61.219 1.00 101.40 ? 259 ALA A O 1 ATOM 1927 C CB . ALA A 1 259 ? -19.602 -5.955 59.956 1.00 101.31 ? 259 ALA A CB 1 ATOM 1928 N N . GLY A 1 260 ? -16.098 -6.084 60.761 1.00 93.90 ? 260 GLY A N 1 ATOM 1929 C CA . GLY A 1 260 ? -15.161 -6.505 61.803 1.00 94.30 ? 260 GLY A CA 1 ATOM 1930 C C . GLY A 1 260 ? -13.700 -6.478 61.389 1.00 90.66 ? 260 GLY A C 1 ATOM 1931 O O . GLY A 1 260 ? -12.827 -6.132 62.191 1.00 89.90 ? 260 GLY A O 1 ATOM 1932 N N . LEU A 1 261 ? -13.430 -6.846 60.139 1.00 88.79 ? 261 LEU A N 1 ATOM 1933 C CA . LEU A 1 261 ? -12.058 -6.897 59.627 1.00 85.61 ? 261 LEU A CA 1 ATOM 1934 C C . LEU A 1 261 ? -11.542 -5.544 59.124 1.00 81.52 ? 261 LEU A C 1 ATOM 1935 O O . LEU A 1 261 ? -12.323 -4.683 58.709 1.00 80.96 ? 261 LEU A O 1 ATOM 1936 C CB . LEU A 1 261 ? -11.889 -7.998 58.563 1.00 86.08 ? 261 LEU A CB 1 ATOM 1937 C CG . LEU A 1 261 ? -12.996 -8.321 57.552 1.00 87.61 ? 261 LEU A CG 1 ATOM 1938 C CD1 . LEU A 1 261 ? -13.062 -7.287 56.437 1.00 84.51 ? 261 LEU A CD1 1 ATOM 1939 C CD2 . LEU A 1 261 ? -12.770 -9.706 56.972 1.00 89.84 ? 261 LEU A CD2 1 ATOM 1940 N N . ALA A 1 262 ? -10.222 -5.376 59.175 1.00 79.20 ? 262 ALA A N 1 ATOM 1941 C CA . ALA A 1 262 ? -9.568 -4.116 58.827 1.00 75.96 ? 262 ALA A CA 1 ATOM 1942 C C . ALA A 1 262 ? -8.256 -4.336 58.081 1.00 73.33 ? 262 ALA A C 1 ATOM 1943 O O . ALA A 1 262 ? -7.579 -5.345 58.285 1.00 74.33 ? 262 ALA A O 1 ATOM 1944 C CB . ALA A 1 262 ? -9.313 -3.298 60.080 1.00 76.77 ? 262 ALA A CB 1 ATOM 1945 N N . CYS A 1 263 ? -7.898 -3.383 57.225 1.00 70.46 ? 263 CYS A N 1 ATOM 1946 C CA . CYS A 1 263 ? -6.611 -3.418 56.540 1.00 68.06 ? 263 CYS A CA 1 ATOM 1947 C C . CYS A 1 263 ? -5.564 -2.634 57.330 1.00 67.31 ? 263 CYS A C 1 ATOM 1948 O O . CYS A 1 263 ? -5.684 -1.417 57.509 1.00 66.81 ? 263 CYS A O 1 ATOM 1949 C CB . CYS A 1 263 ? -6.728 -2.876 55.114 1.00 65.76 ? 263 CYS A CB 1 ATOM 1950 S SG . CYS A 1 263 ? -5.198 -3.011 54.172 1.00 63.69 ? 263 CYS A SG 1 ATOM 1951 N N . ARG A 1 264 ? -4.548 -3.346 57.809 1.00 67.83 ? 264 ARG A N 1 ATOM 1952 C CA . ARG A 1 264 ? -3.464 -2.739 58.573 1.00 67.77 ? 264 ARG A CA 1 ATOM 1953 C C . ARG A 1 264 ? -2.233 -2.577 57.688 1.00 65.29 ? 264 ARG A C 1 ATOM 1954 O O . ARG A 1 264 ? -1.913 -3.458 56.885 1.00 64.56 ? 264 ARG A O 1 ATOM 1955 C CB . ARG A 1 264 ? -3.130 -3.588 59.802 1.00 70.80 ? 264 ARG A CB 1 ATOM 1956 C CG . ARG A 1 264 ? -2.394 -2.836 60.901 1.00 72.23 ? 264 ARG A CG 1 ATOM 1957 C CD . ARG A 1 264 ? -1.750 -3.798 61.884 1.00 75.39 ? 264 ARG A CD 1 ATOM 1958 N NE . ARG A 1 264 ? -1.264 -3.120 63.086 1.00 78.09 ? 264 ARG A NE 1 ATOM 1959 C CZ . ARG A 1 264 ? -1.937 -3.033 64.233 1.00 81.50 ? 264 ARG A CZ 1 ATOM 1960 N NH1 . ARG A 1 264 ? -3.142 -3.579 64.356 1.00 82.64 ? 264 ARG A NH1 1 ATOM 1961 N NH2 . ARG A 1 264 ? -1.404 -2.395 65.266 1.00 83.95 ? 264 ARG A NH2 1 ATOM 1962 N N . VAL A 1 265 ? -1.553 -1.442 57.834 1.00 64.45 ? 265 VAL A N 1 ATOM 1963 C CA . VAL A 1 265 ? -0.364 -1.143 57.038 1.00 62.34 ? 265 VAL A CA 1 ATOM 1964 C C . VAL A 1 265 ? 0.815 -0.736 57.927 1.00 63.68 ? 265 VAL A C 1 ATOM 1965 O O . VAL A 1 265 ? 0.737 0.246 58.671 1.00 65.03 ? 265 VAL A O 1 ATOM 1966 C CB . VAL A 1 265 ? -0.637 -0.037 55.976 1.00 60.18 ? 265 VAL A CB 1 ATOM 1967 C CG1 . VAL A 1 265 ? 0.622 0.257 55.161 1.00 58.40 ? 265 VAL A CG1 1 ATOM 1968 C CG2 . VAL A 1 265 ? -1.788 -0.433 55.053 1.00 59.23 ? 265 VAL A CG2 1 ATOM 1969 N N . LYS A 1 266 ? 1.895 -1.511 57.854 1.00 63.79 ? 266 LYS A N 1 ATOM 1970 C CA . LYS A 1 266 ? 3.160 -1.148 58.489 1.00 65.02 ? 266 LYS A CA 1 ATOM 1971 C C . LYS A 1 266 ? 4.088 -0.520 57.449 1.00 62.82 ? 266 LYS A C 1 ATOM 1972 O O . LYS A 1 266 ? 4.163 -0.985 56.306 1.00 60.66 ? 266 LYS A O 1 ATOM 1973 C CB . LYS A 1 266 ? 3.843 -2.371 59.109 1.00 67.29 ? 266 LYS A CB 1 ATOM 1974 C CG . LYS A 1 266 ? 3.142 -2.974 60.311 1.00 70.37 ? 266 LYS A CG 1 ATOM 1975 C CD . LYS A 1 266 ? 3.953 -4.133 60.885 1.00 73.12 ? 266 LYS A CD 1 ATOM 1976 C CE . LYS A 1 266 ? 3.283 -4.743 62.106 1.00 76.67 ? 266 LYS A CE 1 ATOM 1977 N NZ . LYS A 1 266 ? 3.395 -3.864 63.301 1.00 79.12 ? 266 LYS A NZ 1 ATOM 1978 N N . HIS A 1 267 ? 4.782 0.541 57.852 1.00 63.75 ? 267 HIS A N 1 ATOM 1979 C CA . HIS A 1 267 ? 5.785 1.192 57.013 1.00 62.32 ? 267 HIS A CA 1 ATOM 1980 C C . HIS A 1 267 ? 6.794 1.945 57.875 1.00 65.13 ? 267 HIS A C 1 ATOM 1981 O O . HIS A 1 267 ? 6.491 2.341 59.002 1.00 67.92 ? 267 HIS A O 1 ATOM 1982 C CB . HIS A 1 267 ? 5.131 2.145 56.009 1.00 60.09 ? 267 HIS A CB 1 ATOM 1983 C CG . HIS A 1 267 ? 5.986 2.435 54.816 1.00 58.23 ? 267 HIS A CG 1 ATOM 1984 N ND1 . HIS A 1 267 ? 6.873 3.489 54.773 1.00 59.12 ? 267 HIS A ND1 1 ATOM 1985 C CD2 . HIS A 1 267 ? 6.103 1.797 53.627 1.00 55.88 ? 267 HIS A CD2 1 ATOM 1986 C CE1 . HIS A 1 267 ? 7.494 3.493 53.607 1.00 57.35 ? 267 HIS A CE1 1 ATOM 1987 N NE2 . HIS A 1 267 ? 7.044 2.477 52.893 1.00 55.40 ? 267 HIS A NE2 1 ATOM 1988 N N . SER A 1 268 ? 7.994 2.135 57.334 1.00 64.89 ? 268 SER A N 1 ATOM 1989 C CA . SER A 1 268 ? 9.064 2.860 58.016 1.00 67.91 ? 268 SER A CA 1 ATOM 1990 C C . SER A 1 268 ? 8.736 4.340 58.227 1.00 69.32 ? 268 SER A C 1 ATOM 1991 O O . SER A 1 268 ? 9.251 4.969 59.155 1.00 72.96 ? 268 SER A O 1 ATOM 1992 C CB . SER A 1 268 ? 10.370 2.719 57.230 1.00 67.35 ? 268 SER A CB 1 ATOM 1993 O OG . SER A 1 268 ? 10.191 3.078 55.870 1.00 64.08 ? 268 SER A OG 1 ATOM 1994 N N . SER A 1 269 ? 7.875 4.881 57.366 1.00 67.02 ? 269 SER A N 1 ATOM 1995 C CA . SER A 1 269 ? 7.516 6.302 57.381 1.00 68.63 ? 269 SER A CA 1 ATOM 1996 C C . SER A 1 269 ? 6.606 6.690 58.544 1.00 71.46 ? 269 SER A C 1 ATOM 1997 O O . SER A 1 269 ? 6.685 7.811 59.046 1.00 74.78 ? 269 SER A O 1 ATOM 1998 C CB . SER A 1 269 ? 6.847 6.691 56.061 1.00 65.64 ? 269 SER A CB 1 ATOM 1999 O OG . SER A 1 269 ? 5.671 5.930 55.847 1.00 63.16 ? 269 SER A OG 1 ATOM 2000 N N . LEU A 1 270 ? 5.752 5.758 58.964 1.00 70.70 ? 270 LEU A N 1 ATOM 2001 C CA . LEU A 1 270 ? 4.734 6.014 59.990 1.00 73.21 ? 270 LEU A CA 1 ATOM 2002 C C . LEU A 1 270 ? 5.308 6.196 61.399 1.00 77.87 ? 270 LEU A C 1 ATOM 2003 O O . LEU A 1 270 ? 4.596 6.620 62.313 1.00 80.70 ? 270 LEU A O 1 ATOM 2004 C CB . LEU A 1 270 ? 3.677 4.903 59.984 1.00 71.25 ? 270 LEU A CB 1 ATOM 2005 C CG . LEU A 1 270 ? 2.916 4.646 58.676 1.00 67.67 ? 270 LEU A CG 1 ATOM 2006 C CD1 . LEU A 1 270 ? 2.269 3.268 58.688 1.00 66.40 ? 270 LEU A CD1 1 ATOM 2007 C CD2 . LEU A 1 270 ? 1.878 5.734 58.393 1.00 68.26 ? 270 LEU A CD2 1 ATOM 2008 N N . GLY A 1 271 ? 6.591 5.874 61.564 1.00 79.05 ? 271 GLY A N 1 ATOM 2009 C CA . GLY A 1 271 ? 7.299 6.081 62.829 1.00 84.01 ? 271 GLY A CA 1 ATOM 2010 C C . GLY A 1 271 ? 6.872 5.156 63.953 1.00 85.92 ? 271 GLY A C 1 ATOM 2011 O O . GLY A 1 271 ? 6.925 5.532 65.124 1.00 90.48 ? 271 GLY A O 1 ATOM 2012 N N . GLY A 1 272 ? 6.450 3.945 63.592 1.00 82.95 ? 272 GLY A N 1 ATOM 2013 C CA . GLY A 1 272 ? 6.039 2.938 64.567 1.00 84.94 ? 272 GLY A CA 1 ATOM 2014 C C . GLY A 1 272 ? 4.538 2.726 64.622 1.00 83.68 ? 272 GLY A C 1 ATOM 2015 O O . GLY A 1 272 ? 4.067 1.586 64.655 1.00 82.89 ? 272 GLY A O 1 ATOM 2016 N N . GLN A 1 273 ? 3.788 3.826 64.639 1.00 84.04 ? 273 GLN A N 1 ATOM 2017 C CA . GLN A 1 273 ? 2.329 3.772 64.711 1.00 83.28 ? 273 GLN A CA 1 ATOM 2018 C C . GLN A 1 273 ? 1.718 3.394 63.363 1.00 78.42 ? 273 GLN A C 1 ATOM 2019 O O . GLN A 1 273 ? 1.606 4.228 62.458 1.00 76.45 ? 273 GLN A O 1 ATOM 2020 C CB . GLN A 1 273 ? 1.758 5.104 65.217 1.00 86.13 ? 273 GLN A CB 1 ATOM 2021 N N . ASP A 1 274 ? 1.330 2.126 63.241 1.00 77.03 ? 274 ASP A N 1 ATOM 2022 C CA . ASP A 1 274 ? 0.695 1.611 62.030 1.00 73.22 ? 274 ASP A CA 1 ATOM 2023 C C . ASP A 1 274 ? -0.658 2.274 61.828 1.00 72.82 ? 274 ASP A C 1 ATOM 2024 O O . ASP A 1 274 ? -1.201 2.881 62.752 1.00 75.67 ? 274 ASP A O 1 ATOM 2025 C CB . ASP A 1 274 ? 0.503 0.092 62.128 1.00 73.24 ? 274 ASP A CB 1 ATOM 2026 C CG . ASP A 1 274 ? 1.789 -0.652 62.465 1.00 74.69 ? 274 ASP A CG 1 ATOM 2027 O OD1 . ASP A 1 274 ? 1.703 -1.702 63.139 1.00 76.83 ? 274 ASP A OD1 1 ATOM 2028 O OD2 . ASP A 1 274 ? 2.883 -0.202 62.054 1.00 74.14 ? 274 ASP A OD2 1 ATOM 2029 N N . ILE A 1 275 ? -1.203 2.174 60.622 1.00 69.81 ? 275 ILE A N 1 ATOM 2030 C CA . ILE A 1 275 ? -2.580 2.606 60.411 1.00 69.96 ? 275 ILE A CA 1 ATOM 2031 C C . ILE A 1 275 ? -3.497 1.424 60.112 1.00 69.23 ? 275 ILE A C 1 ATOM 2032 O O . ILE A 1 275 ? -3.220 0.605 59.229 1.00 67.06 ? 275 ILE A O 1 ATOM 2033 C CB . ILE A 1 275 ? -2.734 3.771 59.373 1.00 68.52 ? 275 ILE A CB 1 ATOM 2034 C CG1 . ILE A 1 275 ? -2.251 3.375 57.970 1.00 64.96 ? 275 ILE A CG1 1 ATOM 2035 C CG2 . ILE A 1 275 ? -2.057 5.048 59.883 1.00 70.84 ? 275 ILE A CG2 1 ATOM 2036 C CD1 . ILE A 1 275 ? -3.384 3.055 57.009 1.00 63.40 ? 275 ILE A CD1 1 ATOM 2037 N N . ILE A 1 276 ? -4.566 1.335 60.897 1.00 71.47 ? 276 ILE A N 1 ATOM 2038 C CA . ILE A 1 276 ? -5.601 0.334 60.708 1.00 71.66 ? 276 ILE A CA 1 ATOM 2039 C C . ILE A 1 276 ? -6.815 1.019 60.096 1.00 71.37 ? 276 ILE A C 1 ATOM 2040 O O . ILE A 1 276 ? -7.258 2.066 60.577 1.00 73.03 ? 276 ILE A O 1 ATOM 2041 C CB . ILE A 1 276 ? -5.988 -0.345 62.039 1.00 74.97 ? 276 ILE A CB 1 ATOM 2042 N N . LEU A 1 277 ? -7.334 0.438 59.020 1.00 69.73 ? 277 LEU A N 1 ATOM 2043 C CA . LEU A 1 277 ? -8.482 1.008 58.333 1.00 69.66 ? 277 LEU A CA 1 ATOM 2044 C C . LEU A 1 277 ? -9.642 0.022 58.324 1.00 71.21 ? 277 LEU A C 1 ATOM 2045 O O . LEU A 1 277 ? -9.617 -0.979 57.605 1.00 70.46 ? 277 LEU A O 1 ATOM 2046 C CB . LEU A 1 277 ? -8.099 1.435 56.914 1.00 67.00 ? 277 LEU A CB 1 ATOM 2047 C CG . LEU A 1 277 ? -9.074 2.306 56.118 1.00 67.37 ? 277 LEU A CG 1 ATOM 2048 C CD1 . LEU A 1 277 ? -9.527 3.542 56.899 1.00 69.34 ? 277 LEU A CD1 1 ATOM 2049 C CD2 . LEU A 1 277 ? -8.426 2.704 54.804 1.00 64.61 ? 277 LEU A CD2 1 ATOM 2050 N N . TYR A 1 278 ? -10.652 0.322 59.137 1.00 73.76 ? 278 TYR A N 1 ATOM 2051 C CA . TYR A 1 278 ? -11.809 -0.547 59.316 1.00 75.93 ? 278 TYR A CA 1 ATOM 2052 C C . TYR A 1 278 ? -12.815 -0.404 58.182 1.00 75.79 ? 278 TYR A C 1 ATOM 2053 O O . TYR A 1 278 ? -13.038 0.697 57.675 1.00 75.17 ? 278 TYR A O 1 ATOM 2054 C CB . TYR A 1 278 ? -12.492 -0.258 60.658 1.00 79.28 ? 278 TYR A CB 1 ATOM 2055 C CG . TYR A 1 278 ? -11.651 -0.600 61.873 1.00 80.45 ? 278 TYR A CG 1 ATOM 2056 C CD1 . TYR A 1 278 ? -10.941 0.389 62.556 1.00 80.68 ? 278 TYR A CD1 1 ATOM 2057 C CD2 . TYR A 1 278 ? -11.570 -1.913 62.344 1.00 81.94 ? 278 TYR A CD2 1 ATOM 2058 C CE1 . TYR A 1 278 ? -10.166 0.079 63.675 1.00 82.22 ? 278 TYR A CE1 1 ATOM 2059 C CE2 . TYR A 1 278 ? -10.795 -2.233 63.457 1.00 83.40 ? 278 TYR A CE2 1 ATOM 2060 C CZ . TYR A 1 278 ? -10.099 -1.232 64.119 1.00 83.55 ? 278 TYR A CZ 1 ATOM 2061 O OH . TYR A 1 278 ? -9.335 -1.544 65.223 1.00 85.63 ? 278 TYR A OH 1 ATOM 2062 N N . TRP A 1 279 ? -13.416 -1.528 57.798 1.00 76.92 ? 279 TRP A N 1 ATOM 2063 C CA . TRP A 1 279 ? -14.474 -1.554 56.792 1.00 77.90 ? 279 TRP A CA 1 ATOM 2064 C C . TRP A 1 279 ? -15.746 -0.879 57.309 1.00 80.84 ? 279 TRP A C 1 ATOM 2065 O O . TRP A 1 279 ? -16.363 -0.070 56.618 1.00 81.19 ? 279 TRP A O 1 ATOM 2066 C CB . TRP A 1 279 ? -14.769 -2.996 56.362 1.00 79.37 ? 279 TRP A CB 1 ATOM 2067 C CG . TRP A 1 279 ? -15.821 -3.100 55.298 1.00 81.10 ? 279 TRP A CG 1 ATOM 2068 C CD1 . TRP A 1 279 ? -17.160 -3.289 55.487 1.00 84.89 ? 279 TRP A CD1 1 ATOM 2069 C CD2 . TRP A 1 279 ? -15.624 -3.010 53.882 1.00 79.81 ? 279 TRP A CD2 1 ATOM 2070 N NE1 . TRP A 1 279 ? -17.809 -3.324 54.277 1.00 85.98 ? 279 TRP A NE1 1 ATOM 2071 C CE2 . TRP A 1 279 ? -16.891 -3.158 53.275 1.00 82.90 ? 279 TRP A CE2 1 ATOM 2072 C CE3 . TRP A 1 279 ? -14.499 -2.821 53.065 1.00 76.80 ? 279 TRP A CE3 1 ATOM 2073 C CZ2 . TRP A 1 279 ? -17.068 -3.121 51.887 1.00 83.24 ? 279 TRP A CZ2 1 ATOM 2074 C CZ3 . TRP A 1 279 ? -14.675 -2.785 51.682 1.00 76.71 ? 279 TRP A CZ3 1 ATOM 2075 C CH2 . TRP A 1 279 ? -15.951 -2.934 51.110 1.00 80.03 ? 279 TRP A CH2 1 ATOM 2076 N N . GLN B 2 2 ? 7.322 -13.210 20.199 1.00 69.86 ? 2 GLN B N 1 ATOM 2077 C CA . GLN B 2 2 ? 6.467 -12.045 20.571 1.00 67.96 ? 2 GLN B CA 1 ATOM 2078 C C . GLN B 2 2 ? 5.653 -12.324 21.832 1.00 67.51 ? 2 GLN B C 1 ATOM 2079 O O . GLN B 2 2 ? 4.942 -13.329 21.918 1.00 70.56 ? 2 GLN B O 1 ATOM 2080 C CB . GLN B 2 2 ? 5.531 -11.667 19.420 1.00 70.67 ? 2 GLN B CB 1 ATOM 2081 C CG . GLN B 2 2 ? 6.218 -11.015 18.227 1.00 71.24 ? 2 GLN B CG 1 ATOM 2082 C CD . GLN B 2 2 ? 5.238 -10.558 17.152 1.00 74.52 ? 2 GLN B CD 1 ATOM 2083 O OE1 . GLN B 2 2 ? 4.075 -10.970 17.130 1.00 76.88 ? 2 GLN B OE1 1 ATOM 2084 N NE2 . GLN B 2 2 ? 5.710 -9.702 16.252 1.00 74.79 ? 2 GLN B NE2 1 ATOM 2085 N N . LYS B 2 3 ? 5.765 -11.420 22.802 1.00 64.13 ? 3 LYS B N 1 ATOM 2086 C CA . LYS B 2 3 ? 5.051 -11.529 24.071 1.00 63.58 ? 3 LYS B CA 1 ATOM 2087 C C . LYS B 2 3 ? 4.031 -10.398 24.213 1.00 62.61 ? 3 LYS B C 1 ATOM 2088 O O . LYS B 2 3 ? 4.359 -9.226 23.998 1.00 60.39 ? 3 LYS B O 1 ATOM 2089 C CB . LYS B 2 3 ? 6.041 -11.517 25.242 1.00 60.94 ? 3 LYS B CB 1 ATOM 2090 N N . THR B 2 4 ? 2.800 -10.763 24.572 1.00 64.60 ? 4 THR B N 1 ATOM 2091 C CA . THR B 2 4 ? 1.690 -9.808 24.693 1.00 64.32 ? 4 THR B CA 1 ATOM 2092 C C . THR B 2 4 ? 1.789 -8.949 25.964 1.00 61.15 ? 4 THR B C 1 ATOM 2093 O O . THR B 2 4 ? 2.219 -9.439 27.011 1.00 60.48 ? 4 THR B O 1 ATOM 2094 C CB . THR B 2 4 ? 0.305 -10.516 24.649 1.00 68.11 ? 4 THR B CB 1 ATOM 2095 O OG1 . THR B 2 4 ? 0.185 -11.421 25.753 1.00 69.11 ? 4 THR B OG1 1 ATOM 2096 C CG2 . THR B 2 4 ? 0.119 -11.285 23.342 1.00 71.71 ? 4 THR B CG2 1 ATOM 2097 N N . PRO B 2 5 ? 1.388 -7.665 25.874 1.00 59.62 ? 5 PRO B N 1 ATOM 2098 C CA . PRO B 2 5 ? 1.463 -6.768 27.028 1.00 57.00 ? 5 PRO B CA 1 ATOM 2099 C C . PRO B 2 5 ? 0.402 -7.061 28.093 1.00 58.23 ? 5 PRO B C 1 ATOM 2100 O O . PRO B 2 5 ? -0.612 -7.701 27.803 1.00 61.15 ? 5 PRO B O 1 ATOM 2101 C CB . PRO B 2 5 ? 1.213 -5.378 26.418 1.00 56.05 ? 5 PRO B CB 1 ATOM 2102 C CG . PRO B 2 5 ? 1.258 -5.557 24.938 1.00 57.87 ? 5 PRO B CG 1 ATOM 2103 C CD . PRO B 2 5 ? 0.871 -6.971 24.683 1.00 60.78 ? 5 PRO B CD 1 ATOM 2104 N N . GLN B 2 6 ? 0.655 -6.598 29.316 1.00 56.31 ? 6 GLN B N 1 ATOM 2105 C CA . GLN B 2 6 ? -0.326 -6.656 30.399 1.00 57.45 ? 6 GLN B CA 1 ATOM 2106 C C . GLN B 2 6 ? -0.589 -5.240 30.913 1.00 55.58 ? 6 GLN B C 1 ATOM 2107 O O . GLN B 2 6 ? 0.344 -4.526 31.297 1.00 53.17 ? 6 GLN B O 1 ATOM 2108 C CB . GLN B 2 6 ? 0.148 -7.575 31.533 1.00 57.89 ? 6 GLN B CB 1 ATOM 2109 C CG . GLN B 2 6 ? 0.341 -9.045 31.137 1.00 60.73 ? 6 GLN B CG 1 ATOM 2110 C CD . GLN B 2 6 ? -0.938 -9.717 30.637 1.00 65.25 ? 6 GLN B CD 1 ATOM 2111 O OE1 . GLN B 2 6 ? -2.012 -9.565 31.226 1.00 67.22 ? 6 GLN B OE1 1 ATOM 2112 N NE2 . GLN B 2 6 ? -0.819 -10.474 29.549 1.00 66.97 ? 6 GLN B NE2 1 ATOM 2113 N N . ILE B 2 7 ? -1.861 -4.843 30.911 1.00 56.92 ? 7 ILE B N 1 ATOM 2114 C CA . ILE B 2 7 ? -2.253 -3.462 31.210 1.00 55.57 ? 7 ILE B CA 1 ATOM 2115 C C . ILE B 2 7 ? -2.916 -3.354 32.588 1.00 56.03 ? 7 ILE B C 1 ATOM 2116 O O . ILE B 2 7 ? -3.743 -4.190 32.949 1.00 58.44 ? 7 ILE B O 1 ATOM 2117 C CB . ILE B 2 7 ? -3.192 -2.872 30.108 1.00 57.03 ? 7 ILE B CB 1 ATOM 2118 C CG1 . ILE B 2 7 ? -2.627 -3.104 28.701 1.00 57.12 ? 7 ILE B CG1 1 ATOM 2119 C CG2 . ILE B 2 7 ? -3.405 -1.378 30.311 1.00 56.09 ? 7 ILE B CG2 1 ATOM 2120 C CD1 . ILE B 2 7 ? -3.207 -4.308 27.978 1.00 60.24 ? 7 ILE B CD1 1 ATOM 2121 N N . GLN B 2 8 ? -2.537 -2.326 33.347 1.00 54.02 ? 8 GLN B N 1 ATOM 2122 C CA . GLN B 2 8 ? -3.079 -2.090 34.687 1.00 54.67 ? 8 GLN B CA 1 ATOM 2123 C C . GLN B 2 8 ? -3.364 -0.611 34.967 1.00 53.80 ? 8 GLN B C 1 ATOM 2124 O O . GLN B 2 8 ? -2.450 0.217 35.001 1.00 51.83 ? 8 GLN B O 1 ATOM 2125 C CB . GLN B 2 8 ? -2.151 -2.670 35.758 1.00 54.02 ? 8 GLN B CB 1 ATOM 2126 C CG . GLN B 2 8 ? -2.266 -4.173 35.911 1.00 56.31 ? 8 GLN B CG 1 ATOM 2127 C CD . GLN B 2 8 ? -1.491 -4.702 37.097 1.00 56.88 ? 8 GLN B CD 1 ATOM 2128 O OE1 . GLN B 2 8 ? -0.261 -4.786 37.064 1.00 55.29 ? 8 GLN B OE1 1 ATOM 2129 N NE2 . GLN B 2 8 ? -2.209 -5.076 38.153 1.00 59.21 ? 8 GLN B NE2 1 ATOM 2130 N N . VAL B 2 9 ? -4.642 -0.294 35.169 1.00 55.60 ? 9 VAL B N 1 ATOM 2131 C CA . VAL B 2 9 ? -5.076 1.079 35.424 1.00 55.36 ? 9 VAL B CA 1 ATOM 2132 C C . VAL B 2 9 ? -5.359 1.266 36.913 1.00 56.27 ? 9 VAL B C 1 ATOM 2133 O O . VAL B 2 9 ? -6.051 0.454 37.525 1.00 58.33 ? 9 VAL B O 1 ATOM 2134 C CB . VAL B 2 9 ? -6.335 1.461 34.595 1.00 57.14 ? 9 VAL B CB 1 ATOM 2135 C CG1 . VAL B 2 9 ? -6.530 2.969 34.582 1.00 56.64 ? 9 VAL B CG1 1 ATOM 2136 C CG2 . VAL B 2 9 ? -6.223 0.952 33.171 1.00 57.21 ? 9 VAL B CG2 1 ATOM 2137 N N . TYR B 2 10 ? -4.815 2.338 37.487 1.00 55.18 ? 10 TYR B N 1 ATOM 2138 C CA . TYR B 2 10 ? -4.978 2.631 38.913 1.00 56.27 ? 10 TYR B CA 1 ATOM 2139 C C . TYR B 2 10 ? -4.847 4.121 39.240 1.00 55.98 ? 10 TYR B C 1 ATOM 2140 O O . TYR B 2 10 ? -4.106 4.852 38.580 1.00 54.36 ? 10 TYR B O 1 ATOM 2141 C CB . TYR B 2 10 ? -4.004 1.797 39.762 1.00 55.78 ? 10 TYR B CB 1 ATOM 2142 C CG . TYR B 2 10 ? -2.551 1.868 39.338 1.00 53.23 ? 10 TYR B CG 1 ATOM 2143 C CD1 . TYR B 2 10 ? -2.092 1.173 38.216 1.00 52.01 ? 10 TYR B CD1 1 ATOM 2144 C CD2 . TYR B 2 10 ? -1.627 2.610 40.074 1.00 52.55 ? 10 TYR B CD2 1 ATOM 2145 C CE1 . TYR B 2 10 ? -0.761 1.231 37.828 1.00 49.81 ? 10 TYR B CE1 1 ATOM 2146 C CE2 . TYR B 2 10 ? -0.288 2.669 39.695 1.00 50.51 ? 10 TYR B CE2 1 ATOM 2147 C CZ . TYR B 2 10 ? 0.136 1.979 38.571 1.00 49.14 ? 10 TYR B CZ 1 ATOM 2148 O OH . TYR B 2 10 ? 1.458 2.032 38.193 1.00 47.50 ? 10 TYR B OH 1 ATOM 2149 N N . SER B 2 11 ? -5.582 4.556 40.262 1.00 58.00 ? 11 SER B N 1 ATOM 2150 C CA . SER B 2 11 ? -5.566 5.947 40.715 1.00 58.35 ? 11 SER B CA 1 ATOM 2151 C C . SER B 2 11 ? -4.347 6.217 41.593 1.00 57.60 ? 11 SER B C 1 ATOM 2152 O O . SER B 2 11 ? -3.866 5.321 42.296 1.00 57.78 ? 11 SER B O 1 ATOM 2153 C CB . SER B 2 11 ? -6.839 6.268 41.507 1.00 61.19 ? 11 SER B CB 1 ATOM 2154 O OG . SER B 2 11 ? -7.970 5.583 40.995 1.00 62.55 ? 11 SER B OG 1 ATOM 2155 N N . ARG B 2 12 ? -3.856 7.455 41.552 1.00 57.11 ? 12 ARG B N 1 ATOM 2156 C CA . ARG B 2 12 ? -2.762 7.887 42.421 1.00 56.95 ? 12 ARG B CA 1 ATOM 2157 C C . ARG B 2 12 ? -3.257 8.132 43.850 1.00 59.72 ? 12 ARG B C 1 ATOM 2158 O O . ARG B 2 12 ? -2.601 7.740 44.819 1.00 60.39 ? 12 ARG B O 1 ATOM 2159 C CB . ARG B 2 12 ? -2.087 9.143 41.853 1.00 56.14 ? 12 ARG B CB 1 ATOM 2160 C CG . ARG B 2 12 ? -1.023 9.780 42.747 1.00 56.41 ? 12 ARG B CG 1 ATOM 2161 C CD . ARG B 2 12 ? 0.117 8.817 43.058 1.00 54.75 ? 12 ARG B CD 1 ATOM 2162 N NE . ARG B 2 12 ? 1.141 9.421 43.906 1.00 55.22 ? 12 ARG B NE 1 ATOM 2163 C CZ . ARG B 2 12 ? 1.104 9.452 45.235 1.00 57.63 ? 12 ARG B CZ 1 ATOM 2164 N NH1 . ARG B 2 12 ? 0.086 8.915 45.898 1.00 59.09 ? 12 ARG B NH1 1 ATOM 2165 N NH2 . ARG B 2 12 ? 2.091 10.027 45.907 1.00 58.94 ? 12 ARG B NH2 1 ATOM 2166 N N . HIS B 2 13 ? -4.416 8.779 43.963 1.00 61.62 ? 13 HIS B N 1 ATOM 2167 C CA . HIS B 2 13 ? -5.029 9.101 45.250 1.00 64.61 ? 13 HIS B CA 1 ATOM 2168 C C . HIS B 2 13 ? -6.417 8.443 45.344 1.00 66.37 ? 13 HIS B C 1 ATOM 2169 O O . HIS B 2 13 ? -6.926 7.944 44.338 1.00 65.26 ? 13 HIS B O 1 ATOM 2170 C CB . HIS B 2 13 ? -5.126 10.624 45.411 1.00 66.03 ? 13 HIS B CB 1 ATOM 2171 C CG . HIS B 2 13 ? -3.824 11.340 45.220 1.00 64.72 ? 13 HIS B CG 1 ATOM 2172 N ND1 . HIS B 2 13 ? -2.807 11.301 46.150 1.00 65.26 ? 13 HIS B ND1 1 ATOM 2173 C CD2 . HIS B 2 13 ? -3.376 12.118 44.206 1.00 63.41 ? 13 HIS B CD2 1 ATOM 2174 C CE1 . HIS B 2 13 ? -1.787 12.021 45.716 1.00 64.22 ? 13 HIS B CE1 1 ATOM 2175 N NE2 . HIS B 2 13 ? -2.107 12.528 44.539 1.00 63.15 ? 13 HIS B NE2 1 ATOM 2176 N N . PRO B 2 14 ? -7.030 8.421 46.549 1.00 69.49 ? 14 PRO B N 1 ATOM 2177 C CA . PRO B 2 14 ? -8.384 7.865 46.660 1.00 71.73 ? 14 PRO B CA 1 ATOM 2178 C C . PRO B 2 14 ? -9.383 8.544 45.706 1.00 71.94 ? 14 PRO B C 1 ATOM 2179 O O . PRO B 2 14 ? -9.499 9.773 45.714 1.00 72.62 ? 14 PRO B O 1 ATOM 2180 C CB . PRO B 2 14 ? -8.759 8.143 48.118 1.00 75.26 ? 14 PRO B CB 1 ATOM 2181 C CG . PRO B 2 14 ? -7.470 8.210 48.833 1.00 74.66 ? 14 PRO B CG 1 ATOM 2182 C CD . PRO B 2 14 ? -6.484 8.794 47.869 1.00 71.50 ? 14 PRO B CD 1 ATOM 2183 N N . PRO B 2 15 ? -10.087 7.749 44.876 1.00 71.74 ? 15 PRO B N 1 ATOM 2184 C CA . PRO B 2 15 ? -11.018 8.317 43.898 1.00 72.15 ? 15 PRO B CA 1 ATOM 2185 C C . PRO B 2 15 ? -12.301 8.864 44.529 1.00 75.82 ? 15 PRO B C 1 ATOM 2186 O O . PRO B 2 15 ? -13.091 8.107 45.105 1.00 78.33 ? 15 PRO B O 1 ATOM 2187 C CB . PRO B 2 15 ? -11.323 7.135 42.971 1.00 71.34 ? 15 PRO B CB 1 ATOM 2188 C CG . PRO B 2 15 ? -11.071 5.925 43.794 1.00 72.05 ? 15 PRO B CG 1 ATOM 2189 C CD . PRO B 2 15 ? -9.979 6.282 44.755 1.00 71.34 ? 15 PRO B CD 1 ATOM 2190 N N . GLU B 2 16 ? -12.488 10.177 44.425 1.00 76.54 ? 16 GLU B N 1 ATOM 2191 C CA . GLU B 2 16 ? -13.711 10.834 44.887 1.00 79.92 ? 16 GLU B CA 1 ATOM 2192 C C . GLU B 2 16 ? -14.302 11.667 43.756 1.00 79.96 ? 16 GLU B C 1 ATOM 2193 O O . GLU B 2 16 ? -13.601 12.472 43.137 1.00 78.26 ? 16 GLU B O 1 ATOM 2194 C CB . GLU B 2 16 ? -13.435 11.708 46.114 1.00 81.81 ? 16 GLU B CB 1 ATOM 2195 N N . ASN B 2 17 ? -15.591 11.462 43.493 1.00 82.28 ? 17 ASN B N 1 ATOM 2196 C CA . ASN B 2 17 ? -16.283 12.120 42.385 1.00 82.94 ? 17 ASN B CA 1 ATOM 2197 C C . ASN B 2 17 ? -16.210 13.644 42.441 1.00 83.97 ? 17 ASN B C 1 ATOM 2198 O O . ASN B 2 17 ? -16.848 14.278 43.285 1.00 86.93 ? 17 ASN B O 1 ATOM 2199 C CB . ASN B 2 17 ? -17.740 11.647 42.298 1.00 86.01 ? 17 ASN B CB 1 ATOM 2200 C CG . ASN B 2 17 ? -17.863 10.214 41.805 1.00 85.40 ? 17 ASN B CG 1 ATOM 2201 O OD1 . ASN B 2 17 ? -17.310 9.851 40.765 1.00 83.20 ? 17 ASN B OD1 1 ATOM 2202 N ND2 . ASN B 2 17 ? -18.596 9.394 42.549 1.00 87.82 ? 17 ASN B ND2 1 ATOM 2203 N N . GLY B 2 18 ? -15.413 14.218 41.543 1.00 81.93 ? 18 GLY B N 1 ATOM 2204 C CA . GLY B 2 18 ? -15.268 15.669 41.436 1.00 83.15 ? 18 GLY B CA 1 ATOM 2205 C C . GLY B 2 18 ? -13.928 16.217 41.891 1.00 81.68 ? 18 GLY B C 1 ATOM 2206 O O . GLY B 2 18 ? -13.624 17.386 41.654 1.00 82.65 ? 18 GLY B O 1 ATOM 2207 N N . LYS B 2 19 ? -13.126 15.378 42.545 1.00 79.79 ? 19 LYS B N 1 ATOM 2208 C CA . LYS B 2 19 ? -11.825 15.796 43.069 1.00 78.71 ? 19 LYS B CA 1 ATOM 2209 C C . LYS B 2 19 ? -10.690 15.493 42.086 1.00 75.41 ? 19 LYS B C 1 ATOM 2210 O O . LYS B 2 19 ? -10.650 14.404 41.507 1.00 73.36 ? 19 LYS B O 1 ATOM 2211 C CB . LYS B 2 19 ? -11.550 15.129 44.421 1.00 79.12 ? 19 LYS B CB 1 ATOM 2212 N N . PRO B 2 20 ? -9.769 16.461 41.889 1.00 75.24 ? 20 PRO B N 1 ATOM 2213 C CA . PRO B 2 20 ? -8.618 16.281 40.998 1.00 72.47 ? 20 PRO B CA 1 ATOM 2214 C C . PRO B 2 20 ? -7.711 15.136 41.440 1.00 69.88 ? 20 PRO B C 1 ATOM 2215 O O . PRO B 2 20 ? -7.411 14.997 42.630 1.00 70.61 ? 20 PRO B O 1 ATOM 2216 C CB . PRO B 2 20 ? -7.880 17.620 41.098 1.00 73.91 ? 20 PRO B CB 1 ATOM 2217 C CG . PRO B 2 20 ? -8.928 18.594 41.498 1.00 77.49 ? 20 PRO B CG 1 ATOM 2218 C CD . PRO B 2 20 ? -9.827 17.834 42.425 1.00 78.21 ? 20 PRO B CD 1 ATOM 2219 N N . ASN B 2 21 ? -7.289 14.326 40.472 1.00 67.20 ? 21 ASN B N 1 ATOM 2220 C CA . ASN B 2 21 ? -6.502 13.130 40.732 1.00 64.72 ? 21 ASN B CA 1 ATOM 2221 C C . ASN B 2 21 ? -5.611 12.800 39.534 1.00 62.21 ? 21 ASN B C 1 ATOM 2222 O O . ASN B 2 21 ? -5.687 13.457 38.494 1.00 62.38 ? 21 ASN B O 1 ATOM 2223 C CB . ASN B 2 21 ? -7.439 11.955 41.043 1.00 65.02 ? 21 ASN B CB 1 ATOM 2224 C CG . ASN B 2 21 ? -6.864 10.989 42.070 1.00 64.49 ? 21 ASN B CG 1 ATOM 2225 O OD1 . ASN B 2 21 ? -5.692 10.612 42.010 1.00 62.57 ? 21 ASN B OD1 1 ATOM 2226 N ND2 . ASN B 2 21 ? -7.700 10.574 43.014 1.00 66.46 ? 21 ASN B ND2 1 ATOM 2227 N N . ILE B 2 22 ? -4.762 11.788 39.693 1.00 60.18 ? 22 ILE B N 1 ATOM 2228 C CA . ILE B 2 22 ? -3.904 11.302 38.614 1.00 57.84 ? 22 ILE B CA 1 ATOM 2229 C C . ILE B 2 22 ? -4.232 9.836 38.319 1.00 56.71 ? 22 ILE B C 1 ATOM 2230 O O . ILE B 2 22 ? -4.381 9.026 39.240 1.00 56.93 ? 22 ILE B O 1 ATOM 2231 C CB . ILE B 2 22 ? -2.398 11.468 38.956 1.00 56.65 ? 22 ILE B CB 1 ATOM 2232 C CG1 . ILE B 2 22 ? -2.063 12.945 39.198 1.00 58.24 ? 22 ILE B CG1 1 ATOM 2233 C CG2 . ILE B 2 22 ? -1.513 10.883 37.846 1.00 54.35 ? 22 ILE B CG2 1 ATOM 2234 C CD1 . ILE B 2 22 ? -0.878 13.178 40.124 1.00 58.42 ? 22 ILE B CD1 1 ATOM 2235 N N . LEU B 2 23 ? -4.358 9.515 37.032 1.00 55.91 ? 23 LEU B N 1 ATOM 2236 C CA . LEU B 2 23 ? -4.647 8.155 36.591 1.00 55.09 ? 23 LEU B CA 1 ATOM 2237 C C . LEU B 2 23 ? -3.427 7.533 35.930 1.00 52.87 ? 23 LEU B C 1 ATOM 2238 O O . LEU B 2 23 ? -2.862 8.098 34.993 1.00 52.34 ? 23 LEU B O 1 ATOM 2239 C CB . LEU B 2 23 ? -5.830 8.144 35.620 1.00 56.49 ? 23 LEU B CB 1 ATOM 2240 C CG . LEU B 2 23 ? -6.418 6.789 35.222 1.00 56.77 ? 23 LEU B CG 1 ATOM 2241 C CD1 . LEU B 2 23 ? -7.091 6.117 36.409 1.00 57.98 ? 23 LEU B CD1 1 ATOM 2242 C CD2 . LEU B 2 23 ? -7.398 6.967 34.075 1.00 58.51 ? 23 LEU B CD2 1 ATOM 2243 N N . ASN B 2 24 ? -3.038 6.362 36.427 1.00 51.98 ? 24 ASN B N 1 ATOM 2244 C CA . ASN B 2 24 ? -1.889 5.632 35.905 1.00 50.08 ? 24 ASN B CA 1 ATOM 2245 C C . ASN B 2 24 ? -2.315 4.497 34.981 1.00 50.24 ? 24 ASN B C 1 ATOM 2246 O O . ASN B 2 24 ? -3.306 3.812 35.246 1.00 51.50 ? 24 ASN B O 1 ATOM 2247 C CB . ASN B 2 24 ? -1.046 5.058 37.053 1.00 49.36 ? 24 ASN B CB 1 ATOM 2248 C CG . ASN B 2 24 ? -0.573 6.120 38.037 1.00 49.57 ? 24 ASN B CG 1 ATOM 2249 O OD1 . ASN B 2 24 ? -0.073 7.176 37.649 1.00 49.21 ? 24 ASN B OD1 1 ATOM 2250 N ND2 . ASN B 2 24 ? -0.718 5.832 39.324 1.00 50.51 ? 24 ASN B ND2 1 ATOM 2251 N N . CYS B 2 25 ? -1.566 4.320 33.893 1.00 49.23 ? 25 CYS B N 1 ATOM 2252 C CA . CYS B 2 25 ? -1.666 3.128 33.051 1.00 49.57 ? 25 CYS B CA 1 ATOM 2253 C C . CYS B 2 25 ? -0.291 2.483 32.916 1.00 47.95 ? 25 CYS B C 1 ATOM 2254 O O . CYS B 2 25 ? 0.613 3.038 32.281 1.00 46.97 ? 25 CYS B O 1 ATOM 2255 C CB . CYS B 2 25 ? -2.244 3.451 31.670 1.00 50.78 ? 25 CYS B CB 1 ATOM 2256 S SG . CYS B 2 25 ? -2.304 2.015 30.557 1.00 51.90 ? 25 CYS B SG 1 ATOM 2257 N N . TYR B 2 26 ? -0.145 1.307 33.520 1.00 48.03 ? 26 TYR B N 1 ATOM 2258 C CA . TYR B 2 26 ? 1.137 0.619 33.595 1.00 46.78 ? 26 TYR B CA 1 ATOM 2259 C C . TYR B 2 26 ? 1.161 -0.587 32.661 1.00 47.35 ? 26 TYR B C 1 ATOM 2260 O O . TYR B 2 26 ? 0.540 -1.615 32.942 1.00 48.83 ? 26 TYR B O 1 ATOM 2261 C CB . TYR B 2 26 ? 1.414 0.203 35.046 1.00 46.82 ? 26 TYR B CB 1 ATOM 2262 C CG . TYR B 2 26 ? 2.795 -0.357 35.321 1.00 45.82 ? 26 TYR B CG 1 ATOM 2263 C CD1 . TYR B 2 26 ? 3.939 0.250 34.800 1.00 44.54 ? 26 TYR B CD1 1 ATOM 2264 C CD2 . TYR B 2 26 ? 2.957 -1.478 36.136 1.00 46.86 ? 26 TYR B CD2 1 ATOM 2265 C CE1 . TYR B 2 26 ? 5.210 -0.260 35.063 1.00 44.13 ? 26 TYR B CE1 1 ATOM 2266 C CE2 . TYR B 2 26 ? 4.223 -1.995 36.412 1.00 46.42 ? 26 TYR B CE2 1 ATOM 2267 C CZ . TYR B 2 26 ? 5.345 -1.379 35.875 1.00 45.21 ? 26 TYR B CZ 1 ATOM 2268 O OH . TYR B 2 26 ? 6.599 -1.885 36.141 1.00 45.01 ? 26 TYR B OH 1 ATOM 2269 N N . VAL B 2 27 ? 1.875 -0.448 31.547 1.00 46.62 ? 27 VAL B N 1 ATOM 2270 C CA . VAL B 2 27 ? 1.988 -1.524 30.563 1.00 47.49 ? 27 VAL B CA 1 ATOM 2271 C C . VAL B 2 27 ? 3.287 -2.304 30.782 1.00 46.65 ? 27 VAL B C 1 ATOM 2272 O O . VAL B 2 27 ? 4.372 -1.714 30.863 1.00 45.26 ? 27 VAL B O 1 ATOM 2273 C CB . VAL B 2 27 ? 1.901 -0.991 29.110 1.00 47.94 ? 27 VAL B CB 1 ATOM 2274 C CG1 . VAL B 2 27 ? 1.823 -2.140 28.120 1.00 49.19 ? 27 VAL B CG1 1 ATOM 2275 C CG2 . VAL B 2 27 ? 0.691 -0.086 28.946 1.00 49.05 ? 27 VAL B CG2 1 ATOM 2276 N N . THR B 2 28 ? 3.164 -3.628 30.879 1.00 47.90 ? 28 THR B N 1 ATOM 2277 C CA . THR B 2 28 ? 4.288 -4.505 31.216 1.00 47.44 ? 28 THR B CA 1 ATOM 2278 C C . THR B 2 28 ? 4.372 -5.740 30.324 1.00 48.93 ? 28 THR B C 1 ATOM 2279 O O . THR B 2 28 ? 3.499 -5.972 29.488 1.00 50.57 ? 28 THR B O 1 ATOM 2280 C CB . THR B 2 28 ? 4.201 -4.990 32.687 1.00 48.00 ? 28 THR B CB 1 ATOM 2281 O OG1 . THR B 2 28 ? 2.832 -5.218 33.042 1.00 49.93 ? 28 THR B OG1 1 ATOM 2282 C CG2 . THR B 2 28 ? 4.789 -3.969 33.628 1.00 46.37 ? 28 THR B CG2 1 ATOM 2283 N N . GLN B 2 29 ? 5.444 -6.512 30.512 1.00 48.75 ? 29 GLN B N 1 ATOM 2284 C CA . GLN B 2 29 ? 5.605 -7.868 29.960 1.00 50.67 ? 29 GLN B CA 1 ATOM 2285 C C . GLN B 2 29 ? 5.459 -7.986 28.435 1.00 51.60 ? 29 GLN B C 1 ATOM 2286 O O . GLN B 2 29 ? 4.912 -8.970 27.934 1.00 54.25 ? 29 GLN B O 1 ATOM 2287 C CB . GLN B 2 29 ? 4.665 -8.863 30.673 1.00 53.16 ? 29 GLN B CB 1 ATOM 2288 C CG . GLN B 2 29 ? 4.870 -8.988 32.185 1.00 53.41 ? 29 GLN B CG 1 ATOM 2289 C CD . GLN B 2 29 ? 6.196 -9.644 32.564 1.00 54.31 ? 29 GLN B CD 1 ATOM 2290 O OE1 . GLN B 2 29 ? 6.635 -10.611 31.933 1.00 55.88 ? 29 GLN B OE1 1 ATOM 2291 N NE2 . GLN B 2 29 ? 6.836 -9.119 33.606 1.00 53.27 ? 29 GLN B NE2 1 ATOM 2292 N N . PHE B 2 30 ? 5.959 -6.998 27.700 1.00 50.02 ? 30 PHE B N 1 ATOM 2293 C CA . PHE B 2 30 ? 5.856 -7.018 26.239 1.00 51.23 ? 30 PHE B CA 1 ATOM 2294 C C . PHE B 2 30 ? 7.211 -7.032 25.533 1.00 50.67 ? 30 PHE B C 1 ATOM 2295 O O . PHE B 2 30 ? 8.214 -6.552 26.068 1.00 48.79 ? 30 PHE B O 1 ATOM 2296 C CB . PHE B 2 30 ? 4.967 -5.878 25.720 1.00 51.22 ? 30 PHE B CB 1 ATOM 2297 C CG . PHE B 2 30 ? 5.429 -4.503 26.121 1.00 48.69 ? 30 PHE B CG 1 ATOM 2298 C CD1 . PHE B 2 30 ? 5.088 -3.970 27.362 1.00 47.22 ? 30 PHE B CD1 1 ATOM 2299 C CD2 . PHE B 2 30 ? 6.188 -3.731 25.250 1.00 47.87 ? 30 PHE B CD2 1 ATOM 2300 C CE1 . PHE B 2 30 ? 5.511 -2.695 27.736 1.00 45.11 ? 30 PHE B CE1 1 ATOM 2301 C CE2 . PHE B 2 30 ? 6.607 -2.458 25.613 1.00 45.93 ? 30 PHE B CE2 1 ATOM 2302 C CZ . PHE B 2 30 ? 6.270 -1.940 26.860 1.00 44.44 ? 30 PHE B CZ 1 ATOM 2303 N N . HIS B 2 31 ? 7.214 -7.597 24.328 1.00 52.74 ? 31 HIS B N 1 ATOM 2304 C CA . HIS B 2 31 ? 8.383 -7.670 23.462 1.00 52.80 ? 31 HIS B CA 1 ATOM 2305 C C . HIS B 2 31 ? 7.867 -8.012 22.067 1.00 55.74 ? 31 HIS B C 1 ATOM 2306 O O . HIS B 2 31 ? 7.027 -8.905 21.934 1.00 58.17 ? 31 HIS B O 1 ATOM 2307 C CB . HIS B 2 31 ? 9.351 -8.752 23.951 1.00 52.72 ? 31 HIS B CB 1 ATOM 2308 C CG . HIS B 2 31 ? 10.579 -8.893 23.106 1.00 53.35 ? 31 HIS B CG 1 ATOM 2309 N ND1 . HIS B 2 31 ? 11.726 -8.163 23.332 1.00 51.55 ? 31 HIS B ND1 1 ATOM 2310 C CD2 . HIS B 2 31 ? 10.838 -9.677 22.032 1.00 55.96 ? 31 HIS B CD2 1 ATOM 2311 C CE1 . HIS B 2 31 ? 12.639 -8.492 22.435 1.00 52.59 ? 31 HIS B CE1 1 ATOM 2312 N NE2 . HIS B 2 31 ? 12.125 -9.409 21.634 1.00 55.12 ? 31 HIS B NE2 1 ATOM 2313 N N . PRO B 2 32 ? 8.355 -7.314 21.018 1.00 56.16 ? 32 PRO B N 1 ATOM 2314 C CA . PRO B 2 32 ? 9.380 -6.266 20.950 1.00 54.28 ? 32 PRO B CA 1 ATOM 2315 C C . PRO B 2 32 ? 8.975 -4.944 21.614 1.00 52.34 ? 32 PRO B C 1 ATOM 2316 O O . PRO B 2 32 ? 7.801 -4.756 21.936 1.00 52.72 ? 32 PRO B O 1 ATOM 2317 C CB . PRO B 2 32 ? 9.572 -6.067 19.442 1.00 56.69 ? 32 PRO B CB 1 ATOM 2318 C CG . PRO B 2 32 ? 8.302 -6.498 18.842 1.00 59.58 ? 32 PRO B CG 1 ATOM 2319 C CD . PRO B 2 32 ? 7.854 -7.654 19.673 1.00 59.59 ? 32 PRO B CD 1 ATOM 2320 N N . PRO B 2 33 ? 9.949 -4.038 21.826 1.00 50.66 ? 33 PRO B N 1 ATOM 2321 C CA . PRO B 2 33 ? 9.723 -2.778 22.529 1.00 49.01 ? 33 PRO B CA 1 ATOM 2322 C C . PRO B 2 33 ? 8.842 -1.743 21.820 1.00 50.35 ? 33 PRO B C 1 ATOM 2323 O O . PRO B 2 33 ? 8.461 -0.756 22.448 1.00 49.38 ? 33 PRO B O 1 ATOM 2324 C CB . PRO B 2 33 ? 11.143 -2.222 22.711 1.00 47.87 ? 33 PRO B CB 1 ATOM 2325 C CG . PRO B 2 33 ? 11.937 -2.855 21.646 1.00 49.37 ? 33 PRO B CG 1 ATOM 2326 C CD . PRO B 2 33 ? 11.381 -4.234 21.537 1.00 50.46 ? 33 PRO B CD 1 ATOM 2327 N N . HIS B 2 34 ? 8.522 -1.942 20.542 1.00 52.96 ? 34 HIS B N 1 ATOM 2328 C CA . HIS B 2 34 ? 7.688 -0.963 19.835 1.00 54.86 ? 34 HIS B CA 1 ATOM 2329 C C . HIS B 2 34 ? 6.225 -1.079 20.244 1.00 55.04 ? 34 HIS B C 1 ATOM 2330 O O . HIS B 2 34 ? 5.622 -2.150 20.141 1.00 56.14 ? 34 HIS B O 1 ATOM 2331 C CB . HIS B 2 34 ? 7.839 -1.054 18.316 1.00 58.20 ? 34 HIS B CB 1 ATOM 2332 C CG . HIS B 2 34 ? 7.118 0.033 17.577 1.00 61.32 ? 34 HIS B CG 1 ATOM 2333 N ND1 . HIS B 2 34 ? 7.566 1.337 17.549 1.00 61.97 ? 34 HIS B ND1 1 ATOM 2334 C CD2 . HIS B 2 34 ? 5.976 0.012 16.848 1.00 64.73 ? 34 HIS B CD2 1 ATOM 2335 C CE1 . HIS B 2 34 ? 6.734 2.072 16.831 1.00 64.67 ? 34 HIS B CE1 1 ATOM 2336 N NE2 . HIS B 2 34 ? 5.762 1.291 16.393 1.00 66.57 ? 34 HIS B NE2 1 ATOM 2337 N N . ILE B 2 35 ? 5.667 0.040 20.702 1.00 54.30 ? 35 ILE B N 1 ATOM 2338 C CA . ILE B 2 35 ? 4.352 0.057 21.337 1.00 54.15 ? 35 ILE B CA 1 ATOM 2339 C C . ILE B 2 35 ? 3.668 1.426 21.216 1.00 55.00 ? 35 ILE B C 1 ATOM 2340 O O . ILE B 2 35 ? 4.332 2.462 21.146 1.00 54.62 ? 35 ILE B O 1 ATOM 2341 C CB . ILE B 2 35 ? 4.463 -0.395 22.830 1.00 51.55 ? 35 ILE B CB 1 ATOM 2342 C CG1 . ILE B 2 35 ? 3.095 -0.785 23.402 1.00 51.96 ? 35 ILE B CG1 1 ATOM 2343 C CG2 . ILE B 2 35 ? 5.195 0.652 23.682 1.00 49.39 ? 35 ILE B CG2 1 ATOM 2344 C CD1 . ILE B 2 35 ? 3.172 -1.711 24.596 1.00 49.76 ? 35 ILE B CD1 1 ATOM 2345 N N . GLU B 2 36 ? 2.338 1.415 21.174 1.00 56.51 ? 36 GLU B N 1 ATOM 2346 C CA . GLU B 2 36 ? 1.546 2.641 21.161 1.00 57.51 ? 36 GLU B CA 1 ATOM 2347 C C . GLU B 2 36 ? 0.514 2.609 22.282 1.00 56.69 ? 36 GLU B C 1 ATOM 2348 O O . GLU B 2 36 ? -0.341 1.722 22.324 1.00 57.66 ? 36 GLU B O 1 ATOM 2349 C CB . GLU B 2 36 ? 0.862 2.833 19.806 1.00 61.11 ? 36 GLU B CB 1 ATOM 2350 N N . ILE B 2 37 ? 0.612 3.576 23.191 1.00 55.25 ? 37 ILE B N 1 ATOM 2351 C CA . ILE B 2 37 ? -0.314 3.692 24.318 1.00 54.74 ? 37 ILE B CA 1 ATOM 2352 C C . ILE B 2 37 ? -1.160 4.964 24.214 1.00 56.45 ? 37 ILE B C 1 ATOM 2353 O O . ILE B 2 37 ? -0.641 6.046 23.923 1.00 56.82 ? 37 ILE B O 1 ATOM 2354 C CB . ILE B 2 37 ? 0.428 3.657 25.683 1.00 51.92 ? 37 ILE B CB 1 ATOM 2355 C CG1 . ILE B 2 37 ? 1.054 2.284 25.931 1.00 50.59 ? 37 ILE B CG1 1 ATOM 2356 C CG2 . ILE B 2 37 ? -0.510 3.982 26.836 1.00 51.95 ? 37 ILE B CG2 1 ATOM 2357 C CD1 . ILE B 2 37 ? 2.532 2.237 25.673 1.00 49.63 ? 37 ILE B CD1 1 ATOM 2358 N N . GLN B 2 38 ? -2.463 4.813 24.442 1.00 57.93 ? 38 GLN B N 1 ATOM 2359 C CA . GLN B 2 38 ? -3.394 5.937 24.505 1.00 59.65 ? 38 GLN B CA 1 ATOM 2360 C C . GLN B 2 38 ? -4.223 5.860 25.782 1.00 59.02 ? 38 GLN B C 1 ATOM 2361 O O . GLN B 2 38 ? -4.634 4.775 26.198 1.00 58.78 ? 38 GLN B O 1 ATOM 2362 C CB . GLN B 2 38 ? -4.326 5.938 23.291 1.00 63.06 ? 38 GLN B CB 1 ATOM 2363 C CG . GLN B 2 38 ? -3.655 6.296 21.972 1.00 64.90 ? 38 GLN B CG 1 ATOM 2364 C CD . GLN B 2 38 ? -4.619 6.283 20.791 1.00 69.19 ? 38 GLN B CD 1 ATOM 2365 O OE1 . GLN B 2 38 ? -5.748 6.773 20.884 1.00 71.11 ? 38 GLN B OE1 1 ATOM 2366 N NE2 . GLN B 2 38 ? -4.169 5.729 19.668 1.00 70.57 ? 38 GLN B NE2 1 ATOM 2367 N N . MET B 2 39 ? -4.457 7.009 26.406 1.00 59.13 ? 39 MET B N 1 ATOM 2368 C CA . MET B 2 39 ? -5.392 7.092 27.528 1.00 59.37 ? 39 MET B CA 1 ATOM 2369 C C . MET B 2 39 ? -6.638 7.847 27.074 1.00 62.32 ? 39 MET B C 1 ATOM 2370 O O . MET B 2 39 ? -6.537 8.928 26.488 1.00 63.64 ? 39 MET B O 1 ATOM 2371 C CB . MET B 2 39 ? -4.739 7.736 28.757 1.00 57.45 ? 39 MET B CB 1 ATOM 2372 C CG . MET B 2 39 ? -3.601 6.898 29.338 1.00 55.18 ? 39 MET B CG 1 ATOM 2373 S SD . MET B 2 39 ? -2.927 7.468 30.913 1.00 54.27 ? 39 MET B SD 1 ATOM 2374 C CE . MET B 2 39 ? -4.101 6.772 32.075 1.00 54.68 ? 39 MET B CE 1 ATOM 2375 N N . LEU B 2 40 ? -7.807 7.260 27.323 1.00 63.76 ? 40 LEU B N 1 ATOM 2376 C CA . LEU B 2 40 ? -9.062 7.765 26.761 1.00 66.99 ? 40 LEU B CA 1 ATOM 2377 C C . LEU B 2 40 ? -10.038 8.280 27.812 1.00 67.85 ? 40 LEU B C 1 ATOM 2378 O O . LEU B 2 40 ? -10.109 7.753 28.923 1.00 66.65 ? 40 LEU B O 1 ATOM 2379 C CB . LEU B 2 40 ? -9.750 6.684 25.918 1.00 69.06 ? 40 LEU B CB 1 ATOM 2380 C CG . LEU B 2 40 ? -8.933 5.919 24.871 1.00 68.92 ? 40 LEU B CG 1 ATOM 2381 C CD1 . LEU B 2 40 ? -9.688 4.681 24.411 1.00 71.15 ? 40 LEU B CD1 1 ATOM 2382 C CD2 . LEU B 2 40 ? -8.563 6.799 23.683 1.00 70.33 ? 40 LEU B CD2 1 ATOM 2383 N N . LYS B 2 41 ? -10.782 9.318 27.444 1.00 70.32 ? 41 LYS B N 1 ATOM 2384 C CA . LYS B 2 41 ? -11.890 9.817 28.246 1.00 71.99 ? 41 LYS B CA 1 ATOM 2385 C C . LYS B 2 41 ? -13.165 9.675 27.419 1.00 75.69 ? 41 LYS B C 1 ATOM 2386 O O . LYS B 2 41 ? -13.342 10.373 26.414 1.00 77.88 ? 41 LYS B O 1 ATOM 2387 C CB . LYS B 2 41 ? -11.655 11.275 28.656 1.00 72.15 ? 41 LYS B CB 1 ATOM 2388 C CG . LYS B 2 41 ? -12.735 11.861 29.554 1.00 73.90 ? 41 LYS B CG 1 ATOM 2389 C CD . LYS B 2 41 ? -12.450 13.315 29.888 1.00 74.46 ? 41 LYS B CD 1 ATOM 2390 C CE . LYS B 2 41 ? -13.563 13.910 30.737 1.00 76.65 ? 41 LYS B CE 1 ATOM 2391 N NZ . LYS B 2 41 ? -13.299 15.332 31.093 1.00 77.69 ? 41 LYS B NZ 1 ATOM 2392 N N . ASN B 2 42 ? -14.030 8.751 27.838 1.00 76.71 ? 42 ASN B N 1 ATOM 2393 C CA . ASN B 2 42 ? -15.289 8.434 27.144 1.00 80.57 ? 42 ASN B CA 1 ATOM 2394 C C . ASN B 2 42 ? -15.119 7.872 25.722 1.00 81.98 ? 42 ASN B C 1 ATOM 2395 O O . ASN B 2 42 ? -16.102 7.696 24.996 1.00 85.66 ? 42 ASN B O 1 ATOM 2396 C CB . ASN B 2 42 ? -16.251 9.637 27.149 1.00 83.45 ? 42 ASN B CB 1 ATOM 2397 C CG . ASN B 2 42 ? -16.708 10.021 28.550 1.00 83.14 ? 42 ASN B CG 1 ATOM 2398 O OD1 . ASN B 2 42 ? -17.057 9.164 29.364 1.00 82.97 ? 42 ASN B OD1 1 ATOM 2399 N ND2 . ASN B 2 42 ? -16.719 11.319 28.830 1.00 83.56 ? 42 ASN B ND2 1 ATOM 2400 N N . GLY B 2 43 ? -13.877 7.588 25.336 1.00 79.39 ? 43 GLY B N 1 ATOM 2401 C CA . GLY B 2 43 ? -13.579 7.043 24.012 1.00 80.75 ? 43 GLY B CA 1 ATOM 2402 C C . GLY B 2 43 ? -12.756 7.956 23.121 1.00 80.71 ? 43 GLY B C 1 ATOM 2403 O O . GLY B 2 43 ? -12.310 7.543 22.049 1.00 81.60 ? 43 GLY B O 1 ATOM 2404 N N . LYS B 2 44 ? -12.563 9.200 23.558 1.00 80.13 ? 44 LYS B N 1 ATOM 2405 C CA . LYS B 2 44 ? -11.737 10.166 22.834 1.00 80.50 ? 44 LYS B CA 1 ATOM 2406 C C . LYS B 2 44 ? -10.340 10.243 23.457 1.00 76.53 ? 44 LYS B C 1 ATOM 2407 O O . LYS B 2 44 ? -10.190 10.132 24.677 1.00 73.99 ? 44 LYS B O 1 ATOM 2408 C CB . LYS B 2 44 ? -12.400 11.547 22.836 1.00 83.13 ? 44 LYS B CB 1 ATOM 2409 C CG . LYS B 2 44 ? -11.831 12.528 21.818 1.00 85.22 ? 44 LYS B CG 1 ATOM 2410 C CD . LYS B 2 44 ? -12.323 13.945 22.090 1.00 87.81 ? 44 LYS B CD 1 ATOM 2411 C CE . LYS B 2 44 ? -11.932 14.908 20.974 1.00 90.93 ? 44 LYS B CE 1 ATOM 2412 N NZ . LYS B 2 44 ? -12.775 14.740 19.756 1.00 95.16 ? 44 LYS B NZ 1 ATOM 2413 N N . LYS B 2 45 ? -9.326 10.431 22.614 1.00 76.39 ? 45 LYS B N 1 ATOM 2414 C CA . LYS B 2 45 ? -7.937 10.493 23.066 1.00 73.12 ? 45 LYS B CA 1 ATOM 2415 C C . LYS B 2 45 ? -7.653 11.752 23.880 1.00 72.58 ? 45 LYS B C 1 ATOM 2416 O O . LYS B 2 45 ? -7.844 12.871 23.394 1.00 75.25 ? 45 LYS B O 1 ATOM 2417 C CB . LYS B 2 45 ? -6.978 10.409 21.874 1.00 73.73 ? 45 LYS B CB 1 ATOM 2418 N N . ILE B 2 46 ? -7.209 11.556 25.122 1.00 69.58 ? 46 ILE B N 1 ATOM 2419 C CA . ILE B 2 46 ? -6.782 12.663 25.978 1.00 69.12 ? 46 ILE B CA 1 ATOM 2420 C C . ILE B 2 46 ? -5.445 13.193 25.461 1.00 68.82 ? 46 ILE B C 1 ATOM 2421 O O . ILE B 2 46 ? -4.501 12.420 25.288 1.00 66.71 ? 46 ILE B O 1 ATOM 2422 C CB . ILE B 2 46 ? -6.625 12.239 27.467 1.00 66.38 ? 46 ILE B CB 1 ATOM 2423 C CG1 . ILE B 2 46 ? -7.891 11.552 27.988 1.00 66.78 ? 46 ILE B CG1 1 ATOM 2424 C CG2 . ILE B 2 46 ? -6.276 13.446 28.347 1.00 66.49 ? 46 ILE B CG2 1 ATOM 2425 C CD1 . ILE B 2 46 ? -7.650 10.677 29.211 1.00 64.06 ? 46 ILE B CD1 1 ATOM 2426 N N . PRO B 2 47 ? -5.365 14.510 25.193 1.00 71.39 ? 47 PRO B N 1 ATOM 2427 C CA . PRO B 2 47 ? -4.097 15.097 24.763 1.00 71.66 ? 47 PRO B CA 1 ATOM 2428 C C . PRO B 2 47 ? -3.147 15.302 25.944 1.00 69.30 ? 47 PRO B C 1 ATOM 2429 O O . PRO B 2 47 ? -3.582 15.278 27.099 1.00 68.18 ? 47 PRO B O 1 ATOM 2430 C CB . PRO B 2 47 ? -4.521 16.443 24.174 1.00 75.77 ? 47 PRO B CB 1 ATOM 2431 C CG . PRO B 2 47 ? -5.759 16.804 24.926 1.00 76.70 ? 47 PRO B CG 1 ATOM 2432 C CD . PRO B 2 47 ? -6.454 15.507 25.234 1.00 74.54 ? 47 PRO B CD 1 ATOM 2433 N N . LYS B 2 48 ? -1.863 15.495 25.642 1.00 69.05 ? 48 LYS B N 1 ATOM 2434 C CA . LYS B 2 48 ? -0.825 15.744 26.651 1.00 67.37 ? 48 LYS B CA 1 ATOM 2435 C C . LYS B 2 48 ? -0.838 14.712 27.785 1.00 64.01 ? 48 LYS B C 1 ATOM 2436 O O . LYS B 2 48 ? -1.031 15.049 28.962 1.00 63.67 ? 48 LYS B O 1 ATOM 2437 C CB . LYS B 2 48 ? -0.923 17.179 27.197 1.00 69.90 ? 48 LYS B CB 1 ATOM 2438 N N . VAL B 2 49 ? -0.653 13.449 27.409 1.00 61.97 ? 49 VAL B N 1 ATOM 2439 C CA . VAL B 2 49 ? -0.509 12.369 28.376 1.00 58.93 ? 49 VAL B CA 1 ATOM 2440 C C . VAL B 2 49 ? 0.980 12.159 28.600 1.00 57.13 ? 49 VAL B C 1 ATOM 2441 O O . VAL B 2 49 ? 1.713 11.838 27.665 1.00 57.03 ? 49 VAL B O 1 ATOM 2442 C CB . VAL B 2 49 ? -1.165 11.055 27.885 1.00 58.18 ? 49 VAL B CB 1 ATOM 2443 C CG1 . VAL B 2 49 ? -0.959 9.938 28.899 1.00 55.68 ? 49 VAL B CG1 1 ATOM 2444 C CG2 . VAL B 2 49 ? -2.647 11.258 27.624 1.00 60.32 ? 49 VAL B CG2 1 ATOM 2445 N N . GLU B 2 50 ? 1.423 12.357 29.837 1.00 56.12 ? 50 GLU B N 1 ATOM 2446 C CA . GLU B 2 50 ? 2.833 12.189 30.181 1.00 54.84 ? 50 GLU B CA 1 ATOM 2447 C C . GLU B 2 50 ? 3.232 10.718 30.145 1.00 52.41 ? 50 GLU B C 1 ATOM 2448 O O . GLU B 2 50 ? 2.594 9.869 30.774 1.00 51.44 ? 50 GLU B O 1 ATOM 2449 C CB . GLU B 2 50 ? 3.150 12.802 31.546 1.00 54.95 ? 50 GLU B CB 1 ATOM 2450 C CG . GLU B 2 50 ? 2.982 14.312 31.603 1.00 58.18 ? 50 GLU B CG 1 ATOM 2451 C CD . GLU B 2 50 ? 3.348 14.887 32.957 1.00 59.37 ? 50 GLU B CD 1 ATOM 2452 O OE1 . GLU B 2 50 ? 4.561 14.992 33.251 1.00 59.34 ? 50 GLU B OE1 1 ATOM 2453 O OE2 . GLU B 2 50 ? 2.423 15.243 33.722 1.00 60.34 ? 50 GLU B OE2 1 ATOM 2454 N N . MET B 2 51 ? 4.288 10.436 29.392 1.00 51.85 ? 51 MET B N 1 ATOM 2455 C CA . MET B 2 51 ? 4.794 9.086 29.210 1.00 49.82 ? 51 MET B CA 1 ATOM 2456 C C . MET B 2 51 ? 6.174 9.008 29.851 1.00 48.53 ? 51 MET B C 1 ATOM 2457 O O . MET B 2 51 ? 7.014 9.879 29.621 1.00 49.66 ? 51 MET B O 1 ATOM 2458 C CB . MET B 2 51 ? 4.890 8.781 27.711 1.00 50.76 ? 51 MET B CB 1 ATOM 2459 C CG . MET B 2 51 ? 4.765 7.314 27.337 1.00 49.91 ? 51 MET B CG 1 ATOM 2460 S SD . MET B 2 51 ? 3.063 6.710 27.301 1.00 51.72 ? 51 MET B SD 1 ATOM 2461 C CE . MET B 2 51 ? 2.394 7.580 25.882 1.00 54.22 ? 51 MET B CE 1 ATOM 2462 N N . SER B 2 52 ? 6.405 7.981 30.663 1.00 46.64 ? 52 SER B N 1 ATOM 2463 C CA . SER B 2 52 ? 7.716 7.781 31.282 1.00 45.64 ? 52 SER B CA 1 ATOM 2464 C C . SER B 2 52 ? 8.675 7.120 30.293 1.00 45.11 ? 52 SER B C 1 ATOM 2465 O O . SER B 2 52 ? 8.251 6.626 29.246 1.00 45.25 ? 52 SER B O 1 ATOM 2466 C CB . SER B 2 52 ? 7.602 6.945 32.562 1.00 44.51 ? 52 SER B CB 1 ATOM 2467 O OG . SER B 2 52 ? 7.535 5.555 32.272 1.00 43.30 ? 52 SER B OG 1 ATOM 2468 N N . ASP B 2 53 ? 9.962 7.112 30.629 1.00 44.76 ? 53 ASP B N 1 ATOM 2469 C CA . ASP B 2 53 ? 10.969 6.480 29.785 1.00 44.53 ? 53 ASP B CA 1 ATOM 2470 C C . ASP B 2 53 ? 10.893 4.965 29.880 1.00 43.23 ? 53 ASP B C 1 ATOM 2471 O O . ASP B 2 53 ? 10.907 4.391 30.974 1.00 42.57 ? 53 ASP B O 1 ATOM 2472 C CB . ASP B 2 53 ? 12.369 6.970 30.148 1.00 44.95 ? 53 ASP B CB 1 ATOM 2473 C CG . ASP B 2 53 ? 12.558 8.443 29.860 1.00 47.34 ? 53 ASP B CG 1 ATOM 2474 O OD1 . ASP B 2 53 ? 12.245 8.878 28.729 1.00 48.78 ? 53 ASP B OD1 1 ATOM 2475 O OD2 . ASP B 2 53 ? 13.019 9.171 30.766 1.00 48.63 ? 53 ASP B OD2 1 ATOM 2476 N N . MET B 2 54 ? 10.802 4.325 28.722 1.00 43.43 ? 54 MET B N 1 ATOM 2477 C CA . MET B 2 54 ? 10.735 2.876 28.647 1.00 42.73 ? 54 MET B CA 1 ATOM 2478 C C . MET B 2 54 ? 11.986 2.216 29.225 1.00 41.98 ? 54 MET B C 1 ATOM 2479 O O . MET B 2 54 ? 13.110 2.650 28.971 1.00 42.49 ? 54 MET B O 1 ATOM 2480 C CB . MET B 2 54 ? 10.535 2.448 27.201 1.00 43.76 ? 54 MET B CB 1 ATOM 2481 C CG . MET B 2 54 ? 10.195 0.995 27.044 1.00 43.69 ? 54 MET B CG 1 ATOM 2482 S SD . MET B 2 54 ? 9.483 0.686 25.432 1.00 46.46 ? 54 MET B SD 1 ATOM 2483 C CE . MET B 2 54 ? 9.469 -1.083 25.495 1.00 46.16 ? 54 MET B CE 1 ATOM 2484 N N . SER B 2 55 ? 11.771 1.162 30.003 1.00 41.24 ? 55 SER B N 1 ATOM 2485 C CA . SER B 2 55 ? 12.842 0.433 30.668 1.00 40.71 ? 55 SER B CA 1 ATOM 2486 C C . SER B 2 55 ? 12.504 -1.059 30.643 1.00 40.58 ? 55 SER B C 1 ATOM 2487 O O . SER B 2 55 ? 11.499 -1.454 30.061 1.00 40.94 ? 55 SER B O 1 ATOM 2488 C CB . SER B 2 55 ? 12.987 0.944 32.106 1.00 40.62 ? 55 SER B CB 1 ATOM 2489 O OG . SER B 2 55 ? 14.019 0.278 32.804 1.00 40.82 ? 55 SER B OG 1 ATOM 2490 N N . PHE B 2 56 ? 13.349 -1.890 31.247 1.00 40.47 ? 56 PHE B N 1 ATOM 2491 C CA . PHE B 2 56 ? 13.022 -3.305 31.409 1.00 40.97 ? 56 PHE B CA 1 ATOM 2492 C C . PHE B 2 56 ? 13.406 -3.855 32.784 1.00 41.42 ? 56 PHE B C 1 ATOM 2493 O O . PHE B 2 56 ? 14.219 -3.268 33.499 1.00 41.16 ? 56 PHE B O 1 ATOM 2494 C CB . PHE B 2 56 ? 13.592 -4.167 30.267 1.00 41.40 ? 56 PHE B CB 1 ATOM 2495 C CG . PHE B 2 56 ? 15.083 -4.067 30.098 1.00 40.81 ? 56 PHE B CG 1 ATOM 2496 C CD1 . PHE B 2 56 ? 15.939 -4.845 30.870 1.00 40.57 ? 56 PHE B CD1 1 ATOM 2497 C CD2 . PHE B 2 56 ? 15.630 -3.212 29.147 1.00 40.47 ? 56 PHE B CD2 1 ATOM 2498 C CE1 . PHE B 2 56 ? 17.316 -4.757 30.711 1.00 40.81 ? 56 PHE B CE1 1 ATOM 2499 C CE2 . PHE B 2 56 ? 17.005 -3.119 28.980 1.00 40.55 ? 56 PHE B CE2 1 ATOM 2500 C CZ . PHE B 2 56 ? 17.850 -3.893 29.762 1.00 40.76 ? 56 PHE B CZ 1 ATOM 2501 N N . SER B 2 57 ? 12.788 -4.972 33.151 1.00 42.58 ? 57 SER B N 1 ATOM 2502 C CA . SER B 2 57 ? 13.032 -5.614 34.439 1.00 43.84 ? 57 SER B CA 1 ATOM 2503 C C . SER B 2 57 ? 14.099 -6.703 34.319 1.00 44.65 ? 57 SER B C 1 ATOM 2504 O O . SER B 2 57 ? 14.621 -6.946 33.227 1.00 44.50 ? 57 SER B O 1 ATOM 2505 C CB . SER B 2 57 ? 11.728 -6.179 35.006 1.00 45.06 ? 57 SER B CB 1 ATOM 2506 O OG . SER B 2 57 ? 11.006 -6.877 34.005 1.00 46.27 ? 57 SER B OG 1 ATOM 2507 N N . LYS B 2 58 ? 14.414 -7.352 35.441 1.00 45.95 ? 58 LYS B N 1 ATOM 2508 C CA . LYS B 2 58 ? 15.508 -8.327 35.513 1.00 47.00 ? 58 LYS B CA 1 ATOM 2509 C C . LYS B 2 58 ? 15.307 -9.546 34.604 1.00 47.88 ? 58 LYS B C 1 ATOM 2510 O O . LYS B 2 58 ? 16.277 -10.157 34.158 1.00 48.44 ? 58 LYS B O 1 ATOM 2511 C CB . LYS B 2 58 ? 15.743 -8.764 36.965 1.00 48.84 ? 58 LYS B CB 1 ATOM 2512 C CG . LYS B 2 58 ? 17.152 -9.270 37.243 1.00 50.32 ? 58 LYS B CG 1 ATOM 2513 C CD . LYS B 2 58 ? 17.371 -9.549 38.723 1.00 53.26 ? 58 LYS B CD 1 ATOM 2514 C CE . LYS B 2 58 ? 18.808 -9.997 38.986 1.00 54.96 ? 58 LYS B CE 1 ATOM 2515 N NZ . LYS B 2 58 ? 19.070 -10.250 40.434 1.00 57.60 ? 58 LYS B NZ 1 ATOM 2516 N N . ASP B 2 59 ? 14.053 -9.887 34.328 1.00 48.35 ? 59 ASP B N 1 ATOM 2517 C CA . ASP B 2 59 ? 13.736 -10.987 33.416 1.00 49.76 ? 59 ASP B CA 1 ATOM 2518 C C . ASP B 2 59 ? 13.589 -10.506 31.971 1.00 48.44 ? 59 ASP B C 1 ATOM 2519 O O . ASP B 2 59 ? 12.959 -11.174 31.146 1.00 49.71 ? 59 ASP B O 1 ATOM 2520 C CB . ASP B 2 59 ? 12.473 -11.725 33.875 1.00 52.02 ? 59 ASP B CB 1 ATOM 2521 C CG . ASP B 2 59 ? 11.239 -10.832 33.903 1.00 51.71 ? 59 ASP B CG 1 ATOM 2522 O OD1 . ASP B 2 59 ? 11.382 -9.587 33.884 1.00 49.94 ? 59 ASP B OD1 1 ATOM 2523 O OD2 . ASP B 2 59 ? 10.118 -11.386 33.950 1.00 54.24 ? 59 ASP B OD2 1 ATOM 2524 N N . TRP B 2 60 ? 14.170 -9.337 31.690 1.00 46.25 ? 60 TRP B N 1 ATOM 2525 C CA . TRP B 2 60 ? 14.210 -8.726 30.351 1.00 45.13 ? 60 TRP B CA 1 ATOM 2526 C C . TRP B 2 60 ? 12.848 -8.287 29.798 1.00 45.20 ? 60 TRP B C 1 ATOM 2527 O O . TRP B 2 60 ? 12.710 -8.046 28.600 1.00 45.41 ? 60 TRP B O 1 ATOM 2528 C CB . TRP B 2 60 ? 14.945 -9.631 29.352 1.00 46.21 ? 60 TRP B CB 1 ATOM 2529 C CG . TRP B 2 60 ? 16.288 -10.084 29.836 1.00 45.73 ? 60 TRP B CG 1 ATOM 2530 C CD1 . TRP B 2 60 ? 16.583 -11.270 30.440 1.00 46.95 ? 60 TRP B CD1 1 ATOM 2531 C CD2 . TRP B 2 60 ? 17.515 -9.350 29.769 1.00 44.01 ? 60 TRP B CD2 1 ATOM 2532 N NE1 . TRP B 2 60 ? 17.921 -11.325 30.751 1.00 46.72 ? 60 TRP B NE1 1 ATOM 2533 C CE2 . TRP B 2 60 ? 18.517 -10.160 30.348 1.00 45.03 ? 60 TRP B CE2 1 ATOM 2534 C CE3 . TRP B 2 60 ? 17.866 -8.089 29.273 1.00 42.08 ? 60 TRP B CE3 1 ATOM 2535 C CZ2 . TRP B 2 60 ? 19.850 -9.751 30.442 1.00 44.81 ? 60 TRP B CZ2 1 ATOM 2536 C CZ3 . TRP B 2 60 ? 19.188 -7.682 29.366 1.00 41.98 ? 60 TRP B CZ3 1 ATOM 2537 C CH2 . TRP B 2 60 ? 20.166 -8.511 29.946 1.00 43.35 ? 60 TRP B CH2 1 ATOM 2538 N N . SER B 2 61 ? 11.850 -8.185 30.673 1.00 45.48 ? 61 SER B N 1 ATOM 2539 C CA . SER B 2 61 ? 10.519 -7.720 30.285 1.00 45.82 ? 61 SER B CA 1 ATOM 2540 C C . SER B 2 61 ? 10.485 -6.196 30.270 1.00 44.13 ? 61 SER B C 1 ATOM 2541 O O . SER B 2 61 ? 10.832 -5.552 31.267 1.00 43.23 ? 61 SER B O 1 ATOM 2542 C CB . SER B 2 61 ? 9.453 -8.237 31.258 1.00 47.00 ? 61 SER B CB 1 ATOM 2543 O OG . SER B 2 61 ? 9.611 -9.618 31.518 1.00 49.32 ? 61 SER B OG 1 ATOM 2544 N N . PHE B 2 62 ? 10.060 -5.621 29.148 1.00 44.00 ? 62 PHE B N 1 ATOM 2545 C CA . PHE B 2 62 ? 9.913 -4.172 29.052 1.00 42.75 ? 62 PHE B CA 1 ATOM 2546 C C . PHE B 2 62 ? 8.711 -3.689 29.859 1.00 42.71 ? 62 PHE B C 1 ATOM 2547 O O . PHE B 2 62 ? 7.753 -4.432 30.064 1.00 43.91 ? 62 PHE B O 1 ATOM 2548 C CB . PHE B 2 62 ? 9.767 -3.733 27.595 1.00 43.35 ? 62 PHE B CB 1 ATOM 2549 C CG . PHE B 2 62 ? 11.010 -3.925 26.762 1.00 43.33 ? 62 PHE B CG 1 ATOM 2550 C CD1 . PHE B 2 62 ? 11.074 -4.935 25.807 1.00 44.60 ? 62 PHE B CD1 1 ATOM 2551 C CD2 . PHE B 2 62 ? 12.108 -3.086 26.915 1.00 42.16 ? 62 PHE B CD2 1 ATOM 2552 C CE1 . PHE B 2 62 ? 12.211 -5.112 25.033 1.00 44.67 ? 62 PHE B CE1 1 ATOM 2553 C CE2 . PHE B 2 62 ? 13.251 -3.256 26.139 1.00 42.11 ? 62 PHE B CE2 1 ATOM 2554 C CZ . PHE B 2 62 ? 13.299 -4.269 25.198 1.00 43.39 ? 62 PHE B CZ 1 ATOM 2555 N N . TYR B 2 63 ? 8.780 -2.445 30.325 1.00 41.76 ? 63 TYR B N 1 ATOM 2556 C CA . TYR B 2 63 ? 7.665 -1.791 31.000 1.00 41.87 ? 63 TYR B CA 1 ATOM 2557 C C . TYR B 2 63 ? 7.674 -0.286 30.748 1.00 41.39 ? 63 TYR B C 1 ATOM 2558 O O . TYR B 2 63 ? 8.734 0.322 30.594 1.00 40.87 ? 63 TYR B O 1 ATOM 2559 C CB . TYR B 2 63 ? 7.678 -2.087 32.507 1.00 42.07 ? 63 TYR B CB 1 ATOM 2560 C CG . TYR B 2 63 ? 8.897 -1.589 33.258 1.00 41.65 ? 63 TYR B CG 1 ATOM 2561 C CD1 . TYR B 2 63 ? 9.000 -0.255 33.664 1.00 41.91 ? 63 TYR B CD1 1 ATOM 2562 C CD2 . TYR B 2 63 ? 9.933 -2.457 33.586 1.00 42.07 ? 63 TYR B CD2 1 ATOM 2563 C CE1 . TYR B 2 63 ? 10.117 0.205 34.357 1.00 42.09 ? 63 TYR B CE1 1 ATOM 2564 C CE2 . TYR B 2 63 ? 11.052 -2.008 34.285 1.00 42.46 ? 63 TYR B CE2 1 ATOM 2565 C CZ . TYR B 2 63 ? 11.136 -0.679 34.666 1.00 42.41 ? 63 TYR B CZ 1 ATOM 2566 O OH . TYR B 2 63 ? 12.242 -0.237 35.354 1.00 43.28 ? 63 TYR B OH 1 ATOM 2567 N N . ILE B 2 64 ? 6.486 0.309 30.709 1.00 41.96 ? 64 ILE B N 1 ATOM 2568 C CA . ILE B 2 64 ? 6.341 1.754 30.520 1.00 41.92 ? 64 ILE B CA 1 ATOM 2569 C C . ILE B 2 64 ? 5.127 2.265 31.300 1.00 42.49 ? 64 ILE B C 1 ATOM 2570 O O . ILE B 2 64 ? 4.079 1.615 31.323 1.00 43.28 ? 64 ILE B O 1 ATOM 2571 C CB . ILE B 2 64 ? 6.267 2.140 29.007 1.00 42.72 ? 64 ILE B CB 1 ATOM 2572 C CG1 . ILE B 2 64 ? 6.263 3.663 28.823 1.00 43.25 ? 64 ILE B CG1 1 ATOM 2573 C CG2 . ILE B 2 64 ? 5.064 1.479 28.314 1.00 43.95 ? 64 ILE B CG2 1 ATOM 2574 C CD1 . ILE B 2 64 ? 6.692 4.126 27.438 1.00 44.34 ? 64 ILE B CD1 1 ATOM 2575 N N . LEU B 2 65 ? 5.284 3.413 31.953 1.00 42.43 ? 65 LEU B N 1 ATOM 2576 C CA . LEU B 2 65 ? 4.198 4.009 32.725 1.00 43.24 ? 65 LEU B CA 1 ATOM 2577 C C . LEU B 2 65 ? 3.649 5.275 32.073 1.00 44.30 ? 65 LEU B C 1 ATOM 2578 O O . LEU B 2 65 ? 4.360 6.271 31.922 1.00 44.36 ? 65 LEU B O 1 ATOM 2579 C CB . LEU B 2 65 ? 4.638 4.296 34.168 1.00 43.08 ? 65 LEU B CB 1 ATOM 2580 C CG . LEU B 2 65 ? 3.597 4.915 35.115 1.00 44.17 ? 65 LEU B CG 1 ATOM 2581 C CD1 . LEU B 2 65 ? 2.546 3.895 35.545 1.00 44.53 ? 65 LEU B CD1 1 ATOM 2582 C CD2 . LEU B 2 65 ? 4.272 5.528 36.331 1.00 44.54 ? 65 LEU B CD2 1 ATOM 2583 N N . ALA B 2 66 ? 2.377 5.220 31.690 1.00 45.52 ? 66 ALA B N 1 ATOM 2584 C CA . ALA B 2 66 ? 1.657 6.385 31.188 1.00 47.10 ? 66 ALA B CA 1 ATOM 2585 C C . ALA B 2 66 ? 0.794 6.950 32.306 1.00 48.01 ? 66 ALA B C 1 ATOM 2586 O O . ALA B 2 66 ? 0.276 6.195 33.132 1.00 48.09 ? 66 ALA B O 1 ATOM 2587 C CB . ALA B 2 66 ? 0.796 6.002 30.004 1.00 48.28 ? 66 ALA B CB 1 ATOM 2588 N N . HIS B 2 67 ? 0.647 8.272 32.341 1.00 49.26 ? 67 HIS B N 1 ATOM 2589 C CA . HIS B 2 67 ? -0.205 8.917 33.341 1.00 50.56 ? 67 HIS B CA 1 ATOM 2590 C C . HIS B 2 67 ? -0.732 10.275 32.885 1.00 52.56 ? 67 HIS B C 1 ATOM 2591 O O . HIS B 2 67 ? -0.103 10.960 32.072 1.00 53.02 ? 67 HIS B O 1 ATOM 2592 C CB . HIS B 2 67 ? 0.515 9.039 34.692 1.00 50.01 ? 67 HIS B CB 1 ATOM 2593 C CG . HIS B 2 67 ? 1.599 10.071 34.714 1.00 50.69 ? 67 HIS B CG 1 ATOM 2594 N ND1 . HIS B 2 67 ? 1.400 11.348 35.196 1.00 52.51 ? 67 HIS B ND1 1 ATOM 2595 C CD2 . HIS B 2 67 ? 2.892 10.016 34.316 1.00 50.12 ? 67 HIS B CD2 1 ATOM 2596 C CE1 . HIS B 2 67 ? 2.524 12.034 35.094 1.00 53.12 ? 67 HIS B CE1 1 ATOM 2597 N NE2 . HIS B 2 67 ? 3.445 11.249 34.565 1.00 51.70 ? 67 HIS B NE2 1 ATOM 2598 N N . THR B 2 68 ? -1.893 10.645 33.424 1.00 54.04 ? 68 THR B N 1 ATOM 2599 C CA . THR B 2 68 ? -2.543 11.917 33.121 1.00 56.28 ? 68 THR B CA 1 ATOM 2600 C C . THR B 2 68 ? -3.353 12.442 34.315 1.00 57.72 ? 68 THR B C 1 ATOM 2601 O O . THR B 2 68 ? -3.758 11.672 35.192 1.00 57.15 ? 68 THR B O 1 ATOM 2602 C CB . THR B 2 68 ? -3.454 11.808 31.868 1.00 57.51 ? 68 THR B CB 1 ATOM 2603 O OG1 . THR B 2 68 ? -4.133 13.051 31.657 1.00 60.36 ? 68 THR B OG1 1 ATOM 2604 C CG2 . THR B 2 68 ? -4.489 10.696 32.024 1.00 57.37 ? 68 THR B CG2 1 ATOM 2605 N N . GLU B 2 69 ? -3.571 13.756 34.342 1.00 59.91 ? 69 GLU B N 1 ATOM 2606 C CA . GLU B 2 69 ? -4.480 14.376 35.302 1.00 61.95 ? 69 GLU B CA 1 ATOM 2607 C C . GLU B 2 69 ? -5.917 14.119 34.880 1.00 63.19 ? 69 GLU B C 1 ATOM 2608 O O . GLU B 2 69 ? -6.240 14.184 33.692 1.00 63.86 ? 69 GLU B O 1 ATOM 2609 C CB . GLU B 2 69 ? -4.224 15.882 35.410 1.00 64.26 ? 69 GLU B CB 1 ATOM 2610 C CG . GLU B 2 69 ? -3.148 16.250 36.422 1.00 64.65 ? 69 GLU B CG 1 ATOM 2611 C CD . GLU B 2 69 ? -2.304 17.440 35.993 1.00 66.95 ? 69 GLU B CD 1 ATOM 2612 O OE1 . GLU B 2 69 ? -2.877 18.460 35.547 1.00 69.69 ? 69 GLU B OE1 1 ATOM 2613 O OE2 . GLU B 2 69 ? -1.060 17.353 36.110 1.00 65.98 ? 69 GLU B OE2 1 ATOM 2614 N N . PHE B 2 70 ? -6.770 13.818 35.858 1.00 63.90 ? 70 PHE B N 1 ATOM 2615 C CA . PHE B 2 70 ? -8.192 13.574 35.611 1.00 65.43 ? 70 PHE B CA 1 ATOM 2616 C C . PHE B 2 70 ? -9.035 13.857 36.853 1.00 67.22 ? 70 PHE B C 1 ATOM 2617 O O . PHE B 2 70 ? -8.555 13.738 37.980 1.00 66.74 ? 70 PHE B O 1 ATOM 2618 C CB . PHE B 2 70 ? -8.420 12.138 35.093 1.00 64.04 ? 70 PHE B CB 1 ATOM 2619 C CG . PHE B 2 70 ? -8.566 11.094 36.179 1.00 63.18 ? 70 PHE B CG 1 ATOM 2620 C CD1 . PHE B 2 70 ? -7.544 10.857 37.098 1.00 61.33 ? 70 PHE B CD1 1 ATOM 2621 C CD2 . PHE B 2 70 ? -9.724 10.327 36.259 1.00 64.29 ? 70 PHE B CD2 1 ATOM 2622 C CE1 . PHE B 2 70 ? -7.690 9.889 38.092 1.00 61.01 ? 70 PHE B CE1 1 ATOM 2623 C CE2 . PHE B 2 70 ? -9.872 9.354 37.246 1.00 63.85 ? 70 PHE B CE2 1 ATOM 2624 C CZ . PHE B 2 70 ? -8.855 9.136 38.163 1.00 62.16 ? 70 PHE B CZ 1 ATOM 2625 N N . THR B 2 71 ? -10.284 14.253 36.638 1.00 69.64 ? 71 THR B N 1 ATOM 2626 C CA . THR B 2 71 ? -11.249 14.353 37.725 1.00 71.69 ? 71 THR B CA 1 ATOM 2627 C C . THR B 2 71 ? -12.371 13.353 37.454 1.00 72.41 ? 71 THR B C 1 ATOM 2628 O O . THR B 2 71 ? -13.119 13.509 36.486 1.00 73.80 ? 71 THR B O 1 ATOM 2629 C CB . THR B 2 71 ? -11.819 15.787 37.905 1.00 74.68 ? 71 THR B CB 1 ATOM 2630 O OG1 . THR B 2 71 ? -12.643 16.132 36.786 1.00 76.74 ? 71 THR B OG1 1 ATOM 2631 C CG2 . THR B 2 71 ? -10.699 16.813 38.043 1.00 74.46 ? 71 THR B CG2 1 ATOM 2632 N N . PRO B 2 72 ? -12.473 12.305 38.291 1.00 71.88 ? 72 PRO B N 1 ATOM 2633 C CA . PRO B 2 72 ? -13.507 11.294 38.085 1.00 73.04 ? 72 PRO B CA 1 ATOM 2634 C C . PRO B 2 72 ? -14.899 11.806 38.441 1.00 76.44 ? 72 PRO B C 1 ATOM 2635 O O . PRO B 2 72 ? -15.060 12.532 39.420 1.00 77.81 ? 72 PRO B O 1 ATOM 2636 C CB . PRO B 2 72 ? -13.092 10.168 39.037 1.00 72.01 ? 72 PRO B CB 1 ATOM 2637 C CG . PRO B 2 72 ? -12.307 10.843 40.106 1.00 71.54 ? 72 PRO B CG 1 ATOM 2638 C CD . PRO B 2 72 ? -11.603 11.986 39.439 1.00 70.58 ? 72 PRO B CD 1 ATOM 2639 N N . THR B 2 73 ? -15.883 11.445 37.623 1.00 78.13 ? 73 THR B N 1 ATOM 2640 C CA . THR B 2 73 ? -17.294 11.675 37.932 1.00 81.74 ? 73 THR B CA 1 ATOM 2641 C C . THR B 2 73 ? -18.085 10.399 37.652 1.00 83.10 ? 73 THR B C 1 ATOM 2642 O O . THR B 2 73 ? -17.586 9.489 36.983 1.00 81.40 ? 73 THR B O 1 ATOM 2643 C CB . THR B 2 73 ? -17.898 12.869 37.147 1.00 83.79 ? 73 THR B CB 1 ATOM 2644 O OG1 . THR B 2 73 ? -17.397 12.873 35.807 1.00 82.31 ? 73 THR B OG1 1 ATOM 2645 C CG2 . THR B 2 73 ? -17.550 14.193 37.817 1.00 84.23 ? 73 THR B CG2 1 ATOM 2646 N N . GLU B 2 74 ? -19.311 10.342 38.169 1.00 86.49 ? 74 GLU B N 1 ATOM 2647 C CA . GLU B 2 74 ? -20.154 9.145 38.089 1.00 88.65 ? 74 GLU B CA 1 ATOM 2648 C C . GLU B 2 74 ? -20.157 8.476 36.709 1.00 88.31 ? 74 GLU B C 1 ATOM 2649 O O . GLU B 2 74 ? -19.854 7.285 36.594 1.00 87.54 ? 74 GLU B O 1 ATOM 2650 C CB . GLU B 2 74 ? -21.589 9.468 38.530 1.00 92.98 ? 74 GLU B CB 1 ATOM 2651 N N . THR B 2 75 ? -20.478 9.252 35.675 1.00 89.19 ? 75 THR B N 1 ATOM 2652 C CA . THR B 2 75 ? -20.648 8.723 34.317 1.00 89.81 ? 75 THR B CA 1 ATOM 2653 C C . THR B 2 75 ? -19.356 8.640 33.504 1.00 86.29 ? 75 THR B C 1 ATOM 2654 O O . THR B 2 75 ? -19.290 7.887 32.530 1.00 86.50 ? 75 THR B O 1 ATOM 2655 C CB . THR B 2 75 ? -21.669 9.550 33.508 1.00 93.16 ? 75 THR B CB 1 ATOM 2656 O OG1 . THR B 2 75 ? -21.264 10.924 33.490 1.00 92.33 ? 75 THR B OG1 1 ATOM 2657 C CG2 . THR B 2 75 ? -23.064 9.433 34.112 1.00 97.18 ? 75 THR B CG2 1 ATOM 2658 N N . ASP B 2 76 ? -18.343 9.412 33.899 1.00 83.46 ? 76 ASP B N 1 ATOM 2659 C CA . ASP B 2 76 ? -17.094 9.517 33.133 1.00 80.45 ? 76 ASP B CA 1 ATOM 2660 C C . ASP B 2 76 ? -16.303 8.211 33.061 1.00 78.13 ? 76 ASP B C 1 ATOM 2661 O O . ASP B 2 76 ? -15.912 7.646 34.087 1.00 76.83 ? 76 ASP B O 1 ATOM 2662 C CB . ASP B 2 76 ? -16.212 10.653 33.666 1.00 78.53 ? 76 ASP B CB 1 ATOM 2663 C CG . ASP B 2 76 ? -16.589 12.016 33.092 1.00 80.43 ? 76 ASP B CG 1 ATOM 2664 O OD1 . ASP B 2 76 ? -17.513 12.096 32.253 1.00 83.12 ? 76 ASP B OD1 1 ATOM 2665 O OD2 . ASP B 2 76 ? -15.955 13.016 33.487 1.00 79.50 ? 76 ASP B OD2 1 ATOM 2666 N N . THR B 2 77 ? -16.077 7.749 31.833 1.00 78.01 ? 77 THR B N 1 ATOM 2667 C CA . THR B 2 77 ? -15.373 6.497 31.573 1.00 76.26 ? 77 THR B CA 1 ATOM 2668 C C . THR B 2 77 ? -13.939 6.767 31.133 1.00 72.96 ? 77 THR B C 1 ATOM 2669 O O . THR B 2 77 ? -13.696 7.559 30.220 1.00 73.13 ? 77 THR B O 1 ATOM 2670 C CB . THR B 2 77 ? -16.085 5.660 30.488 1.00 78.91 ? 77 THR B CB 1 ATOM 2671 O OG1 . THR B 2 77 ? -17.501 5.717 30.690 1.00 82.70 ? 77 THR B OG1 1 ATOM 2672 C CG2 . THR B 2 77 ? -15.636 4.212 30.540 1.00 78.08 ? 77 THR B CG2 1 ATOM 2673 N N . TYR B 2 78 ? -12.997 6.100 31.792 1.00 70.36 ? 78 TYR B N 1 ATOM 2674 C CA . TYR B 2 78 ? -11.582 6.228 31.472 1.00 67.31 ? 78 TYR B CA 1 ATOM 2675 C C . TYR B 2 78 ? -10.991 4.871 31.102 1.00 66.35 ? 78 TYR B C 1 ATOM 2676 O O . TYR B 2 78 ? -11.305 3.857 31.731 1.00 66.91 ? 78 TYR B O 1 ATOM 2677 C CB . TYR B 2 78 ? -10.826 6.861 32.642 1.00 65.22 ? 78 TYR B CB 1 ATOM 2678 C CG . TYR B 2 78 ? -11.196 8.310 32.886 1.00 66.28 ? 78 TYR B CG 1 ATOM 2679 C CD1 . TYR B 2 78 ? -12.236 8.651 33.752 1.00 68.27 ? 78 TYR B CD1 1 ATOM 2680 C CD2 . TYR B 2 78 ? -10.512 9.342 32.244 1.00 65.82 ? 78 TYR B CD2 1 ATOM 2681 C CE1 . TYR B 2 78 ? -12.582 9.980 33.973 1.00 69.65 ? 78 TYR B CE1 1 ATOM 2682 C CE2 . TYR B 2 78 ? -10.849 10.674 32.459 1.00 67.29 ? 78 TYR B CE2 1 ATOM 2683 C CZ . TYR B 2 78 ? -11.884 10.986 33.323 1.00 69.18 ? 78 TYR B CZ 1 ATOM 2684 O OH . TYR B 2 78 ? -12.220 12.303 33.536 1.00 70.95 ? 78 TYR B OH 1 ATOM 2685 N N . ALA B 2 79 ? -10.145 4.861 30.073 1.00 65.28 ? 79 ALA B N 1 ATOM 2686 C CA . ALA B 2 79 ? -9.563 3.619 29.557 1.00 64.79 ? 79 ALA B CA 1 ATOM 2687 C C . ALA B 2 79 ? -8.150 3.799 28.992 1.00 62.39 ? 79 ALA B C 1 ATOM 2688 O O . ALA B 2 79 ? -7.741 4.912 28.652 1.00 61.84 ? 79 ALA B O 1 ATOM 2689 C CB . ALA B 2 79 ? -10.482 3.003 28.504 1.00 67.84 ? 79 ALA B CB 1 ATOM 2690 N N . CYS B 2 80 ? -7.419 2.688 28.900 1.00 61.36 ? 80 CYS B N 1 ATOM 2691 C CA . CYS B 2 80 ? -6.087 2.662 28.302 1.00 59.36 ? 80 CYS B CA 1 ATOM 2692 C C . CYS B 2 80 ? -6.072 1.738 27.082 1.00 60.83 ? 80 CYS B C 1 ATOM 2693 O O . CYS B 2 80 ? -6.303 0.531 27.202 1.00 61.70 ? 80 CYS B O 1 ATOM 2694 C CB . CYS B 2 80 ? -5.050 2.207 29.330 1.00 56.89 ? 80 CYS B CB 1 ATOM 2695 S SG . CYS B 2 80 ? -3.346 2.670 28.945 1.00 54.31 ? 80 CYS B SG 1 ATOM 2696 N N . ARG B 2 81 ? -5.813 2.322 25.913 1.00 61.57 ? 81 ARG B N 1 ATOM 2697 C CA . ARG B 2 81 ? -5.776 1.587 24.647 1.00 63.41 ? 81 ARG B CA 1 ATOM 2698 C C . ARG B 2 81 ? -4.327 1.335 24.237 1.00 61.45 ? 81 ARG B C 1 ATOM 2699 O O . ARG B 2 81 ? -3.508 2.257 24.242 1.00 59.80 ? 81 ARG B O 1 ATOM 2700 C CB . ARG B 2 81 ? -6.506 2.377 23.559 1.00 66.27 ? 81 ARG B CB 1 ATOM 2701 C CG . ARG B 2 81 ? -6.908 1.565 22.337 1.00 69.46 ? 81 ARG B CG 1 ATOM 2702 C CD . ARG B 2 81 ? -7.431 2.475 21.234 1.00 72.36 ? 81 ARG B CD 1 ATOM 2703 N NE . ARG B 2 81 ? -8.280 1.758 20.285 1.00 76.74 ? 81 ARG B NE 1 ATOM 2704 C CZ . ARG B 2 81 ? -9.609 1.692 20.356 1.00 79.62 ? 81 ARG B CZ 1 ATOM 2705 N NH1 . ARG B 2 81 ? -10.264 2.303 21.336 1.00 78.89 ? 81 ARG B NH1 1 ATOM 2706 N NH2 . ARG B 2 81 ? -10.288 1.013 19.441 1.00 83.41 ? 81 ARG B NH2 1 ATOM 2707 N N . VAL B 2 82 ? -4.017 0.086 23.888 1.00 61.95 ? 82 VAL B N 1 ATOM 2708 C CA . VAL B 2 82 ? -2.641 -0.319 23.573 1.00 60.28 ? 82 VAL B CA 1 ATOM 2709 C C . VAL B 2 82 ? -2.524 -1.075 22.242 1.00 62.72 ? 82 VAL B C 1 ATOM 2710 O O . VAL B 2 82 ? -3.235 -2.056 22.008 1.00 65.03 ? 82 VAL B O 1 ATOM 2711 C CB . VAL B 2 82 ? -2.012 -1.168 24.719 1.00 58.06 ? 82 VAL B CB 1 ATOM 2712 C CG1 . VAL B 2 82 ? -0.597 -1.603 24.363 1.00 56.43 ? 82 VAL B CG1 1 ATOM 2713 C CG2 . VAL B 2 82 ? -2.008 -0.392 26.033 1.00 55.91 ? 82 VAL B CG2 1 ATOM 2714 N N . LYS B 2 83 ? -1.618 -0.604 21.385 1.00 62.54 ? 83 LYS B N 1 ATOM 2715 C CA . LYS B 2 83 ? -1.284 -1.279 20.129 1.00 64.92 ? 83 LYS B CA 1 ATOM 2716 C C . LYS B 2 83 ? 0.088 -1.946 20.228 1.00 62.97 ? 83 LYS B C 1 ATOM 2717 O O . LYS B 2 83 ? 1.065 -1.320 20.650 1.00 60.40 ? 83 LYS B O 1 ATOM 2718 C CB . LYS B 2 83 ? -1.291 -0.294 18.956 1.00 66.97 ? 83 LYS B CB 1 ATOM 2719 C CG . LYS B 2 83 ? -2.650 0.284 18.615 1.00 70.01 ? 83 LYS B CG 1 ATOM 2720 C CD . LYS B 2 83 ? -2.530 1.365 17.552 1.00 72.50 ? 83 LYS B CD 1 ATOM 2721 C CE . LYS B 2 83 ? -3.859 2.074 17.338 1.00 75.45 ? 83 LYS B CE 1 ATOM 2722 N NZ . LYS B 2 83 ? -3.748 3.156 16.322 1.00 78.17 ? 83 LYS B NZ 1 ATOM 2723 N N . HIS B 2 84 ? 0.149 -3.218 19.842 1.00 64.55 ? 84 HIS B N 1 ATOM 2724 C CA . HIS B 2 84 ? 1.395 -3.980 19.845 1.00 63.26 ? 84 HIS B CA 1 ATOM 2725 C C . HIS B 2 84 ? 1.387 -5.022 18.731 1.00 66.64 ? 84 HIS B C 1 ATOM 2726 O O . HIS B 2 84 ? 0.323 -5.474 18.303 1.00 69.87 ? 84 HIS B O 1 ATOM 2727 C CB . HIS B 2 84 ? 1.614 -4.651 21.202 1.00 60.95 ? 84 HIS B CB 1 ATOM 2728 C CG . HIS B 2 84 ? 3.023 -5.100 21.433 1.00 59.13 ? 84 HIS B CG 1 ATOM 2729 N ND1 . HIS B 2 84 ? 3.444 -6.390 21.189 1.00 60.46 ? 84 HIS B ND1 1 ATOM 2730 C CD2 . HIS B 2 84 ? 4.111 -4.427 21.880 1.00 56.24 ? 84 HIS B CD2 1 ATOM 2731 C CE1 . HIS B 2 84 ? 4.728 -6.494 21.480 1.00 58.51 ? 84 HIS B CE1 1 ATOM 2732 N NE2 . HIS B 2 84 ? 5.157 -5.317 21.902 1.00 55.84 ? 84 HIS B NE2 1 ATOM 2733 N N . ALA B 2 85 ? 2.577 -5.401 18.272 1.00 66.28 ? 85 ALA B N 1 ATOM 2734 C CA . ALA B 2 85 ? 2.727 -6.336 17.156 1.00 69.74 ? 85 ALA B CA 1 ATOM 2735 C C . ALA B 2 85 ? 2.309 -7.770 17.501 1.00 71.42 ? 85 ALA B C 1 ATOM 2736 O O . ALA B 2 85 ? 2.038 -8.573 16.604 1.00 75.16 ? 85 ALA B O 1 ATOM 2737 C CB . ALA B 2 85 ? 4.158 -6.302 16.626 1.00 68.97 ? 85 ALA B CB 1 ATOM 2738 N N . SER B 2 86 ? 2.250 -8.077 18.797 1.00 69.08 ? 86 SER B N 1 ATOM 2739 C CA . SER B 2 86 ? 1.895 -9.416 19.273 1.00 70.87 ? 86 SER B CA 1 ATOM 2740 C C . SER B 2 86 ? 0.407 -9.741 19.122 1.00 74.35 ? 86 SER B C 1 ATOM 2741 O O . SER B 2 86 ? 0.045 -10.892 18.877 1.00 77.76 ? 86 SER B O 1 ATOM 2742 C CB . SER B 2 86 ? 2.323 -9.600 20.729 1.00 67.67 ? 86 SER B CB 1 ATOM 2743 O OG . SER B 2 86 ? 1.677 -8.660 21.567 1.00 65.95 ? 86 SER B OG 1 ATOM 2744 N N . MET B 2 87 ? -0.444 -8.729 19.275 1.00 73.86 ? 87 MET B N 1 ATOM 2745 C CA . MET B 2 87 ? -1.894 -8.907 19.137 1.00 77.39 ? 87 MET B CA 1 ATOM 2746 C C . MET B 2 87 ? -2.449 -8.261 17.865 1.00 80.21 ? 87 MET B C 1 ATOM 2747 O O . MET B 2 87 ? -1.981 -7.201 17.443 1.00 78.62 ? 87 MET B O 1 ATOM 2748 C CB . MET B 2 87 ? -2.635 -8.399 20.382 1.00 75.48 ? 87 MET B CB 1 ATOM 2749 C CG . MET B 2 87 ? -2.230 -7.008 20.855 1.00 71.85 ? 87 MET B CG 1 ATOM 2750 S SD . MET B 2 87 ? -2.689 -6.717 22.577 1.00 69.91 ? 87 MET B SD 1 ATOM 2751 C CE . MET B 2 87 ? -1.953 -5.109 22.859 1.00 65.70 ? 87 MET B CE 1 ATOM 2752 N N . ALA B 2 88 ? -3.446 -8.913 17.265 1.00 84.88 ? 88 ALA B N 1 ATOM 2753 C CA . ALA B 2 88 ? -4.056 -8.453 16.012 1.00 88.60 ? 88 ALA B CA 1 ATOM 2754 C C . ALA B 2 88 ? -4.900 -7.193 16.203 1.00 87.89 ? 88 ALA B C 1 ATOM 2755 O O . ALA B 2 88 ? -4.728 -6.212 15.479 1.00 88.02 ? 88 ALA B O 1 ATOM 2756 C CB . ALA B 2 88 ? -4.885 -9.567 15.378 1.00 94.22 ? 88 ALA B CB 1 ATOM 2757 N N . GLU B 2 89 ? -5.807 -7.230 17.176 1.00 87.55 ? 89 GLU B N 1 ATOM 2758 C CA . GLU B 2 89 ? -6.629 -6.072 17.518 1.00 86.84 ? 89 GLU B CA 1 ATOM 2759 C C . GLU B 2 89 ? -6.053 -5.359 18.742 1.00 81.53 ? 89 GLU B C 1 ATOM 2760 O O . GLU B 2 89 ? -5.601 -6.019 19.681 1.00 79.36 ? 89 GLU B O 1 ATOM 2761 C CB . GLU B 2 89 ? -8.078 -6.493 17.788 1.00 90.41 ? 89 GLU B CB 1 ATOM 2762 C CG . GLU B 2 89 ? -8.800 -7.125 16.596 1.00 96.60 ? 89 GLU B CG 1 ATOM 2763 C CD . GLU B 2 89 ? -9.007 -6.163 15.433 1.00 98.98 ? 89 GLU B CD 1 ATOM 2764 O OE1 . GLU B 2 89 ? -9.270 -4.964 15.673 1.00 97.31 ? 89 GLU B OE1 1 ATOM 2765 O OE2 . GLU B 2 89 ? -8.913 -6.615 14.272 1.00 102.84 ? 89 GLU B OE2 1 ATOM 2766 N N . PRO B 2 90 ? -6.061 -4.009 18.734 1.00 79.88 ? 90 PRO B N 1 ATOM 2767 C CA . PRO B 2 90 ? -5.604 -3.233 19.893 1.00 75.40 ? 90 PRO B CA 1 ATOM 2768 C C . PRO B 2 90 ? -6.400 -3.578 21.152 1.00 74.92 ? 90 PRO B C 1 ATOM 2769 O O . PRO B 2 90 ? -7.610 -3.804 21.076 1.00 78.14 ? 90 PRO B O 1 ATOM 2770 C CB . PRO B 2 90 ? -5.877 -1.784 19.475 1.00 75.52 ? 90 PRO B CB 1 ATOM 2771 C CG . PRO B 2 90 ? -5.870 -1.810 17.992 1.00 79.11 ? 90 PRO B CG 1 ATOM 2772 C CD . PRO B 2 90 ? -6.456 -3.135 17.613 1.00 82.54 ? 90 PRO B CD 1 ATOM 2773 N N . LYS B 2 91 ? -5.721 -3.630 22.294 1.00 71.35 ? 91 LYS B N 1 ATOM 2774 C CA . LYS B 2 91 ? -6.376 -3.980 23.551 1.00 71.10 ? 91 LYS B CA 1 ATOM 2775 C C . LYS B 2 91 ? -6.741 -2.743 24.364 1.00 69.19 ? 91 LYS B C 1 ATOM 2776 O O . LYS B 2 91 ? -5.933 -1.830 24.532 1.00 66.36 ? 91 LYS B O 1 ATOM 2777 C CB . LYS B 2 91 ? -5.517 -4.957 24.370 1.00 69.36 ? 91 LYS B CB 1 ATOM 2778 C CG . LYS B 2 91 ? -6.112 -5.340 25.723 1.00 69.49 ? 91 LYS B CG 1 ATOM 2779 C CD . LYS B 2 91 ? -5.940 -6.814 26.041 1.00 71.44 ? 91 LYS B CD 1 ATOM 2780 C CE . LYS B 2 91 ? -6.905 -7.231 27.154 1.00 73.71 ? 91 LYS B CE 1 ATOM 2781 N NZ . LYS B 2 91 ? -7.180 -8.698 27.181 1.00 77.30 ? 91 LYS B NZ 1 ATOM 2782 N N . THR B 2 92 ? -7.976 -2.725 24.851 1.00 71.22 ? 92 THR B N 1 ATOM 2783 C CA . THR B 2 92 ? -8.464 -1.663 25.715 1.00 70.11 ? 92 THR B CA 1 ATOM 2784 C C . THR B 2 92 ? -8.892 -2.286 27.039 1.00 70.15 ? 92 THR B C 1 ATOM 2785 O O . THR B 2 92 ? -9.653 -3.257 27.054 1.00 73.13 ? 92 THR B O 1 ATOM 2786 C CB . THR B 2 92 ? -9.678 -0.934 25.085 1.00 73.14 ? 92 THR B CB 1 ATOM 2787 O OG1 . THR B 2 92 ? -9.423 -0.666 23.700 1.00 74.73 ? 92 THR B OG1 1 ATOM 2788 C CG2 . THR B 2 92 ? -9.964 0.376 25.806 1.00 71.75 ? 92 THR B CG2 1 ATOM 2789 N N . VAL B 2 93 ? -8.384 -1.746 28.145 1.00 67.25 ? 93 VAL B N 1 ATOM 2790 C CA . VAL B 2 93 ? -8.900 -2.109 29.467 1.00 67.73 ? 93 VAL B CA 1 ATOM 2791 C C . VAL B 2 93 ? -9.414 -0.873 30.198 1.00 67.11 ? 93 VAL B C 1 ATOM 2792 O O . VAL B 2 93 ? -8.806 0.200 30.133 1.00 64.76 ? 93 VAL B O 1 ATOM 2793 C CB . VAL B 2 93 ? -7.888 -2.914 30.349 1.00 65.84 ? 93 VAL B CB 1 ATOM 2794 C CG1 . VAL B 2 93 ? -7.322 -4.112 29.587 1.00 66.54 ? 93 VAL B CG1 1 ATOM 2795 C CG2 . VAL B 2 93 ? -6.775 -2.031 30.875 1.00 62.23 ? 93 VAL B CG2 1 ATOM 2796 N N . TYR B 2 94 ? -10.544 -1.034 30.880 1.00 69.57 ? 94 TYR B N 1 ATOM 2797 C CA . TYR B 2 94 ? -11.221 0.079 31.532 1.00 69.78 ? 94 TYR B CA 1 ATOM 2798 C C . TYR B 2 94 ? -10.860 0.202 33.004 1.00 68.33 ? 94 TYR B C 1 ATOM 2799 O O . TYR B 2 94 ? -10.652 -0.799 33.692 1.00 68.67 ? 94 TYR B O 1 ATOM 2800 C CB . TYR B 2 94 ? -12.736 -0.050 31.369 1.00 73.71 ? 94 TYR B CB 1 ATOM 2801 C CG . TYR B 2 94 ? -13.214 0.203 29.959 1.00 75.77 ? 94 TYR B CG 1 ATOM 2802 C CD1 . TYR B 2 94 ? -13.261 -0.829 29.020 1.00 77.89 ? 94 TYR B CD1 1 ATOM 2803 C CD2 . TYR B 2 94 ? -13.618 1.476 29.562 1.00 76.25 ? 94 TYR B CD2 1 ATOM 2804 C CE1 . TYR B 2 94 ? -13.700 -0.596 27.718 1.00 80.27 ? 94 TYR B CE1 1 ATOM 2805 C CE2 . TYR B 2 94 ? -14.060 1.721 28.264 1.00 78.51 ? 94 TYR B CE2 1 ATOM 2806 C CZ . TYR B 2 94 ? -14.098 0.682 27.348 1.00 80.52 ? 94 TYR B CZ 1 ATOM 2807 O OH . TYR B 2 94 ? -14.535 0.920 26.064 1.00 83.18 ? 94 TYR B OH 1 ATOM 2808 N N . TRP B 2 95 ? -10.787 1.446 33.468 1.00 67.10 ? 95 TRP B N 1 ATOM 2809 C CA . TRP B 2 95 ? -10.543 1.747 34.870 1.00 66.38 ? 95 TRP B CA 1 ATOM 2810 C C . TRP B 2 95 ? -11.789 1.465 35.695 1.00 69.71 ? 95 TRP B C 1 ATOM 2811 O O . TRP B 2 95 ? -12.866 1.997 35.419 1.00 71.80 ? 95 TRP B O 1 ATOM 2812 C CB . TRP B 2 95 ? -10.118 3.208 35.030 1.00 64.59 ? 95 TRP B CB 1 ATOM 2813 C CG . TRP B 2 95 ? -10.029 3.688 36.453 1.00 64.32 ? 95 TRP B CG 1 ATOM 2814 C CD1 . TRP B 2 95 ? -9.121 3.300 37.398 1.00 63.01 ? 95 TRP B CD1 1 ATOM 2815 C CD2 . TRP B 2 95 ? -10.868 4.665 37.082 1.00 65.82 ? 95 TRP B CD2 1 ATOM 2816 N NE1 . TRP B 2 95 ? -9.348 3.968 38.578 1.00 63.70 ? 95 TRP B NE1 1 ATOM 2817 C CE2 . TRP B 2 95 ? -10.413 4.813 38.411 1.00 65.56 ? 95 TRP B CE2 1 ATOM 2818 C CE3 . TRP B 2 95 ? -11.964 5.427 36.652 1.00 67.69 ? 95 TRP B CE3 1 ATOM 2819 C CZ2 . TRP B 2 95 ? -11.017 5.692 39.316 1.00 67.31 ? 95 TRP B CZ2 1 ATOM 2820 C CZ3 . TRP B 2 95 ? -12.563 6.301 37.552 1.00 69.19 ? 95 TRP B CZ3 1 ATOM 2821 C CH2 . TRP B 2 95 ? -12.088 6.424 38.870 1.00 69.11 ? 95 TRP B CH2 1 ATOM 2822 N N . ASP B 2 96 ? -11.631 0.607 36.697 1.00 70.58 ? 96 ASP B N 1 ATOM 2823 C CA . ASP B 2 96 ? -12.690 0.323 37.648 1.00 74.07 ? 96 ASP B CA 1 ATOM 2824 C C . ASP B 2 96 ? -12.210 0.752 39.030 1.00 73.56 ? 96 ASP B C 1 ATOM 2825 O O . ASP B 2 96 ? -11.311 0.139 39.609 1.00 72.62 ? 96 ASP B O 1 ATOM 2826 C CB . ASP B 2 96 ? -13.065 -1.162 37.615 1.00 76.71 ? 96 ASP B CB 1 ATOM 2827 C CG . ASP B 2 96 ? -14.324 -1.475 38.414 1.00 81.07 ? 96 ASP B CG 1 ATOM 2828 O OD1 . ASP B 2 96 ? -15.047 -0.536 38.817 1.00 82.19 ? 96 ASP B OD1 1 ATOM 2829 O OD2 . ASP B 2 96 ? -14.596 -2.673 38.635 1.00 83.99 ? 96 ASP B OD2 1 ATOM 2830 N N . ARG B 2 97 ? -12.814 1.824 39.536 1.00 74.67 ? 97 ARG B N 1 ATOM 2831 C CA . ARG B 2 97 ? -12.427 2.447 40.807 1.00 74.64 ? 97 ARG B CA 1 ATOM 2832 C C . ARG B 2 97 ? -12.378 1.491 42.002 1.00 76.67 ? 97 ARG B C 1 ATOM 2833 O O . ARG B 2 97 ? -11.425 1.529 42.788 1.00 75.49 ? 97 ARG B O 1 ATOM 2834 C CB . ARG B 2 97 ? -13.339 3.646 41.110 1.00 76.35 ? 97 ARG B CB 1 ATOM 2835 C CG . ARG B 2 97 ? -14.832 3.383 40.917 1.00 80.34 ? 97 ARG B CG 1 ATOM 2836 C CD . ARG B 2 97 ? -15.561 4.645 40.494 1.00 82.09 ? 97 ARG B CD 1 ATOM 2837 N NE . ARG B 2 97 ? -15.434 5.708 41.489 1.00 83.13 ? 97 ARG B NE 1 ATOM 2838 C CZ . ARG B 2 97 ? -15.726 6.987 41.272 1.00 83.76 ? 97 ARG B CZ 1 ATOM 2839 N NH1 . ARG B 2 97 ? -16.166 7.389 40.084 1.00 83.93 ? 97 ARG B NH1 1 ATOM 2840 N NH2 . ARG B 2 97 ? -15.574 7.871 42.250 1.00 84.62 ? 97 ARG B NH2 1 ATOM 2841 N N . ASP B 2 98 ? -13.393 0.635 42.124 1.00 80.10 ? 98 ASP B N 1 ATOM 2842 C CA . ASP B 2 98 ? -13.476 -0.323 43.231 1.00 82.96 ? 98 ASP B CA 1 ATOM 2843 C C . ASP B 2 98 ? -12.679 -1.612 42.997 1.00 82.41 ? 98 ASP B C 1 ATOM 2844 O O . ASP B 2 98 ? -12.585 -2.460 43.888 1.00 84.75 ? 98 ASP B O 1 ATOM 2845 C CB . ASP B 2 98 ? -14.940 -0.612 43.634 1.00 87.77 ? 98 ASP B CB 1 ATOM 2846 C CG . ASP B 2 98 ? -15.828 -1.010 42.456 1.00 89.16 ? 98 ASP B CG 1 ATOM 2847 O OD1 . ASP B 2 98 ? -17.007 -0.596 42.448 1.00 91.42 ? 98 ASP B OD1 1 ATOM 2848 O OD2 . ASP B 2 98 ? -15.367 -1.739 41.551 1.00 88.34 ? 98 ASP B OD2 1 ATOM 2849 N N . MET B 2 99 ? -12.110 -1.748 41.800 1.00 79.74 ? 99 MET B N 1 ATOM 2850 C CA . MET B 2 99 ? -11.203 -2.854 41.484 1.00 78.96 ? 99 MET B CA 1 ATOM 2851 C C . MET B 2 99 ? -9.777 -2.507 41.911 1.00 75.66 ? 99 MET B C 1 ATOM 2852 O O . MET B 2 99 ? -9.316 -1.380 41.718 1.00 72.95 ? 99 MET B O 1 ATOM 2853 C CB . MET B 2 99 ? -11.249 -3.193 39.986 1.00 77.97 ? 99 MET B CB 1 ATOM 2854 C CG . MET B 2 99 ? -10.336 -4.341 39.550 1.00 77.55 ? 99 MET B CG 1 ATOM 2855 S SD . MET B 2 99 ? -10.834 -5.952 40.202 1.00 83.32 ? 99 MET B SD 1 ATOM 2856 C CE . MET B 2 99 ? -9.423 -6.959 39.745 1.00 81.30 ? 99 MET B CE 1 ATOM 2857 N N . THR C 3 3 ? 39.095 15.076 3.316 1.00 42.40 ? 1 THR C N 1 ATOM 2858 C CA . THR C 3 3 ? 39.203 13.648 3.748 1.00 39.72 ? 1 THR C CA 1 ATOM 2859 C C . THR C 3 3 ? 39.541 13.512 5.237 1.00 37.94 ? 1 THR C C 1 ATOM 2860 O O . THR C 3 3 ? 39.851 14.502 5.913 1.00 38.69 ? 1 THR C O 1 ATOM 2861 C CB . THR C 3 3 ? 40.252 12.867 2.913 1.00 38.11 ? 1 THR C CB 1 ATOM 2862 O OG1 . THR C 3 3 ? 41.510 13.550 2.961 1.00 37.59 ? 1 THR C OG1 1 ATOM 2863 C CG2 . THR C 3 3 ? 39.795 12.717 1.457 1.00 40.02 ? 1 THR C CG2 1 ATOM 2864 N N . GLN C 3 4 ? 39.487 12.275 5.730 1.00 35.74 ? 2 GLN C N 1 ATOM 2865 C CA . GLN C 3 4 ? 39.689 11.984 7.146 1.00 34.25 ? 2 GLN C CA 1 ATOM 2866 C C . GLN C 3 4 ? 41.160 11.772 7.524 1.00 32.13 ? 2 GLN C C 1 ATOM 2867 O O . GLN C 3 4 ? 41.521 11.910 8.690 1.00 31.77 ? 2 GLN C O 1 ATOM 2868 C CB . GLN C 3 4 ? 38.849 10.773 7.568 1.00 33.76 ? 2 GLN C CB 1 ATOM 2869 C CG . GLN C 3 4 ? 37.336 10.955 7.390 1.00 36.43 ? 2 GLN C CG 1 ATOM 2870 C CD . GLN C 3 4 ? 36.515 10.019 8.274 1.00 36.76 ? 2 GLN C CD 1 ATOM 2871 O OE1 . GLN C 3 4 ? 35.810 10.467 9.178 1.00 38.54 ? 2 GLN C OE1 1 ATOM 2872 N NE2 . GLN C 3 4 ? 36.609 8.718 8.020 1.00 35.74 ? 2 GLN C NE2 1 ATOM 2873 N N . VAL C 3 5 ? 41.999 11.430 6.546 1.00 30.89 ? 3 VAL C N 1 ATOM 2874 C CA . VAL C 3 5 ? 43.440 11.252 6.771 1.00 29.02 ? 3 VAL C CA 1 ATOM 2875 C C . VAL C 3 5 ? 44.212 12.198 5.852 1.00 29.72 ? 3 VAL C C 1 ATOM 2876 O O . VAL C 3 5 ? 44.101 12.115 4.627 1.00 30.37 ? 3 VAL C O 1 ATOM 2877 C CB . VAL C 3 5 ? 43.904 9.786 6.520 1.00 27.28 ? 3 VAL C CB 1 ATOM 2878 C CG1 . VAL C 3 5 ? 45.372 9.621 6.861 1.00 26.36 ? 3 VAL C CG1 1 ATOM 2879 C CG2 . VAL C 3 5 ? 43.079 8.800 7.324 1.00 26.37 ? 3 VAL C CG2 1 ATOM 2880 N N . GLU C 3 6 ? 44.985 13.102 6.444 1.00 29.95 ? 4 GLU C N 1 ATOM 2881 C CA . GLU C 3 6 ? 45.743 14.091 5.674 1.00 30.78 ? 4 GLU C CA 1 ATOM 2882 C C . GLU C 3 6 ? 47.237 14.019 5.982 1.00 29.61 ? 4 GLU C C 1 ATOM 2883 O O . GLU C 3 6 ? 47.649 14.107 7.140 1.00 29.39 ? 4 GLU C O 1 ATOM 2884 C CB . GLU C 3 6 ? 45.206 15.505 5.922 1.00 33.13 ? 4 GLU C CB 1 ATOM 2885 C CG . GLU C 3 6 ? 43.937 15.838 5.145 1.00 35.03 ? 4 GLU C CG 1 ATOM 2886 N N . GLN C 3 7 ? 48.037 13.857 4.932 1.00 29.09 ? 5 GLN C N 1 ATOM 2887 C CA . GLN C 3 7 ? 49.487 13.764 5.068 1.00 28.14 ? 5 GLN C CA 1 ATOM 2888 C C . GLN C 3 7 ? 50.177 15.043 4.605 1.00 29.64 ? 5 GLN C C 1 ATOM 2889 O O . GLN C 3 7 ? 49.667 15.764 3.749 1.00 30.95 ? 5 GLN C O 1 ATOM 2890 C CB . GLN C 3 7 ? 50.026 12.556 4.303 1.00 26.83 ? 5 GLN C CB 1 ATOM 2891 C CG . GLN C 3 7 ? 49.681 11.217 4.939 1.00 25.27 ? 5 GLN C CG 1 ATOM 2892 C CD . GLN C 3 7 ? 50.374 10.039 4.271 1.00 24.68 ? 5 GLN C CD 1 ATOM 2893 O OE1 . GLN C 3 7 ? 49.717 9.166 3.707 1.00 24.61 ? 5 GLN C OE1 1 ATOM 2894 N NE2 . GLN C 3 7 ? 51.706 10.008 4.334 1.00 23.88 ? 5 GLN C NE2 1 ATOM 2895 N N . SER C 3 8 ? 51.335 15.320 5.193 1.00 29.71 ? 6 SER C N 1 ATOM 2896 C CA . SER C 3 8 ? 52.117 16.503 4.862 1.00 31.35 ? 6 SER C CA 1 ATOM 2897 C C . SER C 3 8 ? 53.600 16.184 5.024 1.00 30.70 ? 6 SER C C 1 ATOM 2898 O O . SER C 3 8 ? 53.967 15.435 5.928 1.00 29.95 ? 6 SER C O 1 ATOM 2899 C CB . SER C 3 8 ? 51.728 17.659 5.780 1.00 33.27 ? 6 SER C CB 1 ATOM 2900 O OG . SER C 3 8 ? 52.165 18.900 5.257 1.00 36.01 ? 6 SER C OG 1 ATOM 2901 N N . PRO C 3 9 ? 54.458 16.709 4.130 1.00 31.41 ? 7 PRO C N 1 ATOM 2902 C CA . PRO C 3 9 ? 54.154 17.432 2.888 1.00 32.77 ? 7 PRO C CA 1 ATOM 2903 C C . PRO C 3 9 ? 53.656 16.490 1.787 1.00 31.82 ? 7 PRO C C 1 ATOM 2904 O O . PRO C 3 9 ? 53.663 15.276 1.977 1.00 30.20 ? 7 PRO C O 1 ATOM 2905 C CB . PRO C 3 9 ? 55.512 18.028 2.496 1.00 33.80 ? 7 PRO C CB 1 ATOM 2906 C CG . PRO C 3 9 ? 56.518 17.131 3.129 1.00 32.17 ? 7 PRO C CG 1 ATOM 2907 C CD . PRO C 3 9 ? 55.905 16.705 4.419 1.00 31.37 ? 7 PRO C CD 1 ATOM 2908 N N . GLN C 3 10 ? 53.220 17.047 0.658 1.00 33.32 ? 8 GLN C N 1 ATOM 2909 C CA . GLN C 3 10 ? 52.841 16.247 -0.506 1.00 33.36 ? 8 GLN C CA 1 ATOM 2910 C C . GLN C 3 10 ? 54.036 15.494 -1.076 1.00 32.53 ? 8 GLN C C 1 ATOM 2911 O O . GLN C 3 10 ? 53.940 14.310 -1.414 1.00 31.69 ? 8 GLN C O 1 ATOM 2912 C CB . GLN C 3 10 ? 52.227 17.122 -1.596 1.00 35.94 ? 8 GLN C CB 1 ATOM 2913 C CG . GLN C 3 10 ? 50.713 17.053 -1.673 1.00 37.68 ? 8 GLN C CG 1 ATOM 2914 C CD . GLN C 3 10 ? 50.188 17.230 -3.091 1.00 41.00 ? 8 GLN C CD 1 ATOM 2915 O OE1 . GLN C 3 10 ? 50.960 17.314 -4.050 1.00 42.14 ? 8 GLN C OE1 1 ATOM 2916 N NE2 . GLN C 3 10 ? 48.866 17.286 -3.229 1.00 42.87 ? 8 GLN C NE2 1 ATOM 2917 N N . SER C 3 11 ? 55.159 16.199 -1.180 1.00 33.16 ? 9 SER C N 1 ATOM 2918 C CA . SER C 3 11 ? 56.413 15.628 -1.655 1.00 32.59 ? 9 SER C CA 1 ATOM 2919 C C . SER C 3 11 ? 57.578 16.454 -1.128 1.00 33.04 ? 9 SER C C 1 ATOM 2920 O O . SER C 3 11 ? 57.418 17.636 -0.828 1.00 34.36 ? 9 SER C O 1 ATOM 2921 C CB . SER C 3 11 ? 56.439 15.594 -3.184 1.00 33.97 ? 9 SER C CB 1 ATOM 2922 O OG . SER C 3 11 ? 56.089 16.857 -3.718 1.00 36.36 ? 9 SER C OG 1 ATOM 2923 N N . LEU C 3 12 ? 58.744 15.827 -1.007 1.00 32.26 ? 10 LEU C N 1 ATOM 2924 C CA . LEU C 3 12 ? 59.961 16.532 -0.612 1.00 32.98 ? 10 LEU C CA 1 ATOM 2925 C C . LEU C 3 12 ? 61.203 15.873 -1.200 1.00 33.05 ? 10 LEU C C 1 ATOM 2926 O O . LEU C 3 12 ? 61.188 14.687 -1.529 1.00 32.12 ? 10 LEU C O 1 ATOM 2927 C CB . LEU C 3 12 ? 60.071 16.635 0.916 1.00 32.39 ? 10 LEU C CB 1 ATOM 2928 C CG . LEU C 3 12 ? 60.481 15.421 1.754 1.00 30.86 ? 10 LEU C CG 1 ATOM 2929 C CD1 . LEU C 3 12 ? 61.092 15.879 3.067 1.00 31.28 ? 10 LEU C CD1 1 ATOM 2930 C CD2 . LEU C 3 12 ? 59.319 14.459 1.999 1.00 29.10 ? 10 LEU C CD2 1 ATOM 2931 N N . VAL C 3 13 ? 62.272 16.655 -1.335 1.00 34.45 ? 11 VAL C N 1 ATOM 2932 C CA . VAL C 3 13 ? 63.553 16.153 -1.829 1.00 34.89 ? 11 VAL C CA 1 ATOM 2933 C C . VAL C 3 13 ? 64.638 16.392 -0.782 1.00 35.46 ? 11 VAL C C 1 ATOM 2934 O O . VAL C 3 13 ? 64.852 17.527 -0.348 1.00 36.60 ? 11 VAL C O 1 ATOM 2935 C CB . VAL C 3 13 ? 63.963 16.825 -3.169 1.00 36.68 ? 11 VAL C CB 1 ATOM 2936 C CG1 . VAL C 3 13 ? 65.265 16.244 -3.685 1.00 37.10 ? 11 VAL C CG1 1 ATOM 2937 C CG2 . VAL C 3 13 ? 62.870 16.672 -4.216 1.00 36.61 ? 11 VAL C CG2 1 ATOM 2938 N N . VAL C 3 14 ? 65.312 15.320 -0.369 1.00 35.03 ? 12 VAL C N 1 ATOM 2939 C CA . VAL C 3 14 ? 66.421 15.429 0.584 1.00 36.08 ? 12 VAL C CA 1 ATOM 2940 C C . VAL C 3 14 ? 67.714 14.868 0.013 1.00 37.37 ? 12 VAL C C 1 ATOM 2941 O O . VAL C 3 14 ? 67.693 14.015 -0.872 1.00 37.13 ? 12 VAL C O 1 ATOM 2942 C CB . VAL C 3 14 ? 66.118 14.747 1.947 1.00 34.94 ? 12 VAL C CB 1 ATOM 2943 C CG1 . VAL C 3 14 ? 64.854 15.315 2.565 1.00 34.43 ? 12 VAL C CG1 1 ATOM 2944 C CG2 . VAL C 3 14 ? 66.011 13.242 1.806 1.00 33.95 ? 12 VAL C CG2 1 ATOM 2945 N N . ARG C 3 15 ? 68.836 15.369 0.520 1.00 39.35 ? 13 ARG C N 1 ATOM 2946 C CA . ARG C 3 15 ? 70.148 14.819 0.204 1.00 40.95 ? 13 ARG C CA 1 ATOM 2947 C C . ARG C 3 15 ? 70.438 13.630 1.113 1.00 40.83 ? 13 ARG C C 1 ATOM 2948 O O . ARG C 3 15 ? 69.964 13.579 2.250 1.00 40.12 ? 13 ARG C O 1 ATOM 2949 C CB . ARG C 3 15 ? 71.232 15.887 0.372 1.00 43.27 ? 13 ARG C CB 1 ATOM 2950 C CG . ARG C 3 15 ? 71.267 16.935 -0.737 1.00 44.77 ? 13 ARG C CG 1 ATOM 2951 C CD . ARG C 3 15 ? 72.439 17.903 -0.582 1.00 48.31 ? 13 ARG C CD 1 ATOM 2952 N NE . ARG C 3 15 ? 72.161 18.980 0.373 1.00 50.09 ? 13 ARG C NE 1 ATOM 2953 C CZ . ARG C 3 15 ? 73.001 19.974 0.663 1.00 53.19 ? 13 ARG C CZ 1 ATOM 2954 N NH1 . ARG C 3 15 ? 74.195 20.046 0.083 1.00 55.08 ? 13 ARG C NH1 1 ATOM 2955 N NH2 . ARG C 3 15 ? 72.649 20.903 1.543 1.00 54.40 ? 13 ARG C NH2 1 ATOM 2956 N N . GLN C 3 16 ? 71.208 12.672 0.602 1.00 41.94 ? 14 GLN C N 1 ATOM 2957 C CA . GLN C 3 16 ? 71.703 11.545 1.392 1.00 42.85 ? 14 GLN C CA 1 ATOM 2958 C C . GLN C 3 16 ? 72.224 11.971 2.765 1.00 44.12 ? 14 GLN C C 1 ATOM 2959 O O . GLN C 3 16 ? 73.004 12.925 2.875 1.00 45.87 ? 14 GLN C O 1 ATOM 2960 C CB . GLN C 3 16 ? 72.838 10.845 0.649 1.00 44.91 ? 14 GLN C CB 1 ATOM 2961 C CG . GLN C 3 16 ? 72.502 9.492 0.052 1.00 45.18 ? 14 GLN C CG 1 ATOM 2962 C CD . GLN C 3 16 ? 73.752 8.657 -0.200 1.00 48.56 ? 14 GLN C CD 1 ATOM 2963 O OE1 . GLN C 3 16 ? 74.139 8.423 -1.348 1.00 49.78 ? 14 GLN C OE1 1 ATOM 2964 N NE2 . GLN C 3 16 ? 74.406 8.228 0.877 1.00 49.96 ? 14 GLN C NE2 1 ATOM 2965 N N . GLY C 3 17 ? 71.792 11.259 3.803 1.00 43.58 ? 15 GLY C N 1 ATOM 2966 C CA . GLY C 3 17 ? 72.324 11.454 5.151 1.00 45.34 ? 15 GLY C CA 1 ATOM 2967 C C . GLY C 3 17 ? 71.601 12.499 5.975 1.00 44.82 ? 15 GLY C C 1 ATOM 2968 O O . GLY C 3 17 ? 71.878 12.660 7.166 1.00 46.23 ? 15 GLY C O 1 ATOM 2969 N N . GLU C 3 18 ? 70.684 13.220 5.336 1.00 43.19 ? 16 GLU C N 1 ATOM 2970 C CA . GLU C 3 18 ? 69.851 14.200 6.022 1.00 42.90 ? 16 GLU C CA 1 ATOM 2971 C C . GLU C 3 18 ? 68.638 13.478 6.585 1.00 40.81 ? 16 GLU C C 1 ATOM 2972 O O . GLU C 3 18 ? 68.179 12.497 6.009 1.00 39.25 ? 16 GLU C O 1 ATOM 2973 C CB . GLU C 3 18 ? 69.413 15.312 5.060 1.00 42.53 ? 16 GLU C CB 1 ATOM 2974 C CG . GLU C 3 18 ? 70.563 16.136 4.472 1.00 45.45 ? 16 GLU C CG 1 ATOM 2975 C CD . GLU C 3 18 ? 70.107 17.249 3.518 1.00 46.97 ? 16 GLU C CD 1 ATOM 2976 O OE1 . GLU C 3 18 ? 69.008 17.135 2.919 1.00 44.55 ? 16 GLU C OE1 1 ATOM 2977 O OE2 . GLU C 3 18 ? 70.870 18.241 3.362 1.00 49.68 ? 16 GLU C OE2 1 ATOM 2978 N N . ASN C 3 19 ? 68.136 13.954 7.721 1.00 41.26 ? 17 ASN C N 1 ATOM 2979 C CA . ASN C 3 19 ? 66.913 13.416 8.314 1.00 39.55 ? 17 ASN C CA 1 ATOM 2980 C C . ASN C 3 19 ? 65.681 14.057 7.695 1.00 37.99 ? 17 ASN C C 1 ATOM 2981 O O . ASN C 3 19 ? 65.765 15.141 7.105 1.00 38.77 ? 17 ASN C O 1 ATOM 2982 C CB . ASN C 3 19 ? 66.898 13.647 9.824 1.00 41.04 ? 17 ASN C CB 1 ATOM 2983 C CG . ASN C 3 19 ? 68.137 13.112 10.511 1.00 43.43 ? 17 ASN C CG 1 ATOM 2984 O OD1 . ASN C 3 19 ? 68.760 12.156 10.050 1.00 43.58 ? 17 ASN C OD1 1 ATOM 2985 N ND2 . ASN C 3 19 ? 68.500 13.729 11.627 1.00 45.81 ? 17 ASN C ND2 1 ATOM 2986 N N . CYS C 3 20 ? 64.540 13.385 7.815 1.00 36.24 ? 18 CYS C N 1 ATOM 2987 C CA . CYS C 3 20 ? 63.264 13.986 7.431 1.00 35.14 ? 18 CYS C CA 1 ATOM 2988 C C . CYS C 3 20 ? 62.112 13.491 8.303 1.00 33.99 ? 18 CYS C C 1 ATOM 2989 O O . CYS C 3 20 ? 62.163 12.391 8.863 1.00 33.56 ? 18 CYS C O 1 ATOM 2990 C CB . CYS C 3 20 ? 62.967 13.780 5.940 1.00 33.86 ? 18 CYS C CB 1 ATOM 2991 S SG . CYS C 3 20 ? 62.715 12.073 5.451 1.00 33.42 ? 18 CYS C SG 1 ATOM 2992 N N . VAL C 3 21 ? 61.087 14.333 8.420 1.00 33.86 ? 19 VAL C N 1 ATOM 2993 C CA . VAL C 3 21 ? 59.905 14.048 9.223 1.00 33.26 ? 19 VAL C CA 1 ATOM 2994 C C . VAL C 3 21 ? 58.654 14.179 8.362 1.00 31.97 ? 19 VAL C C 1 ATOM 2995 O O . VAL C 3 21 ? 58.440 15.209 7.714 1.00 32.67 ? 19 VAL C O 1 ATOM 2996 C CB . VAL C 3 21 ? 59.791 15.012 10.431 1.00 35.13 ? 19 VAL C CB 1 ATOM 2997 C CG1 . VAL C 3 21 ? 58.471 14.806 11.173 1.00 34.80 ? 19 VAL C CG1 1 ATOM 2998 C CG2 . VAL C 3 21 ? 60.956 14.823 11.379 1.00 37.11 ? 19 VAL C CG2 1 ATOM 2999 N N . LEU C 3 22 ? 57.833 13.133 8.361 1.00 30.46 ? 20 LEU C N 1 ATOM 3000 C CA . LEU C 3 22 ? 56.565 13.154 7.642 1.00 29.48 ? 20 LEU C CA 1 ATOM 3001 C C . LEU C 3 22 ? 55.417 13.200 8.635 1.00 29.59 ? 20 LEU C C 1 ATOM 3002 O O . LEU C 3 22 ? 55.435 12.507 9.652 1.00 29.49 ? 20 LEU C O 1 ATOM 3003 C CB . LEU C 3 22 ? 56.431 11.940 6.719 1.00 28.03 ? 20 LEU C CB 1 ATOM 3004 C CG . LEU C 3 22 ? 57.642 11.543 5.871 1.00 28.30 ? 20 LEU C CG 1 ATOM 3005 C CD1 . LEU C 3 22 ? 57.229 10.528 4.836 1.00 27.40 ? 20 LEU C CD1 1 ATOM 3006 C CD2 . LEU C 3 22 ? 58.296 12.746 5.195 1.00 29.86 ? 20 LEU C CD2 1 ATOM 3007 N N . GLN C 3 23 ? 54.424 14.028 8.329 1.00 30.22 ? 21 GLN C N 1 ATOM 3008 C CA . GLN C 3 23 ? 53.281 14.250 9.209 1.00 30.76 ? 21 GLN C CA 1 ATOM 3009 C C . GLN C 3 23 ? 52.061 13.459 8.773 1.00 29.26 ? 21 GLN C C 1 ATOM 3010 O O . GLN C 3 23 ? 51.879 13.173 7.587 1.00 28.57 ? 21 GLN C O 1 ATOM 3011 C CB . GLN C 3 23 ? 52.905 15.730 9.223 1.00 32.84 ? 21 GLN C CB 1 ATOM 3012 C CG . GLN C 3 23 ? 53.540 16.558 10.315 1.00 36.12 ? 21 GLN C CG 1 ATOM 3013 C CD . GLN C 3 23 ? 52.812 17.887 10.507 1.00 40.58 ? 21 GLN C CD 1 ATOM 3014 O OE1 . GLN C 3 23 ? 52.200 18.130 11.556 1.00 42.19 ? 21 GLN C OE1 1 ATOM 3015 N NE2 . GLN C 3 23 ? 52.854 18.746 9.481 1.00 41.52 ? 21 GLN C NE2 1 ATOM 3016 N N . CYS C 3 24 ? 51.227 13.127 9.752 1.00 29.08 ? 22 CYS C N 1 ATOM 3017 C CA . CYS C 3 24 ? 49.909 12.568 9.513 1.00 28.28 ? 22 CYS C CA 1 ATOM 3018 C C . CYS C 3 24 ? 48.915 13.192 10.483 1.00 29.31 ? 22 CYS C C 1 ATOM 3019 O O . CYS C 3 24 ? 49.134 13.203 11.697 1.00 30.13 ? 22 CYS C O 1 ATOM 3020 C CB . CYS C 3 24 ? 49.916 11.049 9.670 1.00 26.96 ? 22 CYS C CB 1 ATOM 3021 S SG . CYS C 3 24 ? 48.340 10.281 9.228 1.00 27.33 ? 22 CYS C SG 1 ATOM 3022 N N . ASN C 3 25 ? 47.829 13.724 9.934 1.00 29.69 ? 23 ASN C N 1 ATOM 3023 C CA . ASN C 3 25 ? 46.754 14.302 10.725 1.00 30.84 ? 23 ASN C CA 1 ATOM 3024 C C . ASN C 3 25 ? 45.449 13.666 10.298 1.00 30.17 ? 23 ASN C C 1 ATOM 3025 O O . ASN C 3 25 ? 45.227 13.454 9.108 1.00 29.99 ? 23 ASN C O 1 ATOM 3026 C CB . ASN C 3 25 ? 46.712 15.814 10.531 1.00 33.11 ? 23 ASN C CB 1 ATOM 3027 C CG . ASN C 3 25 ? 48.018 16.477 10.911 1.00 34.20 ? 23 ASN C CG 1 ATOM 3028 O OD1 . ASN C 3 25 ? 48.287 16.714 12.090 1.00 35.30 ? 23 ASN C OD1 1 ATOM 3029 N ND2 . ASN C 3 25 ? 48.849 16.768 9.910 1.00 34.16 ? 23 ASN C ND2 1 ATOM 3030 N N . TYR C 3 26 ? 44.593 13.344 11.263 1.00 30.20 ? 24 TYR C N 1 ATOM 3031 C CA . TYR C 3 26 ? 43.375 12.597 10.966 1.00 29.50 ? 24 TYR C CA 1 ATOM 3032 C C . TYR C 3 26 ? 42.191 12.990 11.850 1.00 31.13 ? 24 TYR C C 1 ATOM 3033 O O . TYR C 3 26 ? 42.371 13.519 12.943 1.00 32.42 ? 24 TYR C O 1 ATOM 3034 C CB . TYR C 3 26 ? 43.642 11.084 11.036 1.00 27.48 ? 24 TYR C CB 1 ATOM 3035 C CG . TYR C 3 26 ? 43.991 10.571 12.414 1.00 26.76 ? 24 TYR C CG 1 ATOM 3036 C CD1 . TYR C 3 26 ? 42.991 10.199 13.310 1.00 27.06 ? 24 TYR C CD1 1 ATOM 3037 C CD2 . TYR C 3 26 ? 45.317 10.457 12.821 1.00 25.71 ? 24 TYR C CD2 1 ATOM 3038 C CE1 . TYR C 3 26 ? 43.301 9.733 14.579 1.00 27.20 ? 24 TYR C CE1 1 ATOM 3039 C CE2 . TYR C 3 26 ? 45.639 9.988 14.093 1.00 26.00 ? 24 TYR C CE2 1 ATOM 3040 C CZ . TYR C 3 26 ? 44.623 9.628 14.965 1.00 26.79 ? 24 TYR C CZ 1 ATOM 3041 O OH . TYR C 3 26 ? 44.922 9.161 16.220 1.00 26.97 ? 24 TYR C OH 1 ATOM 3042 N N . SER C 3 27 ? 40.982 12.722 11.364 1.00 31.46 ? 25 SER C N 1 ATOM 3043 C CA . SER C 3 27 ? 39.758 13.043 12.095 1.00 33.14 ? 25 SER C CA 1 ATOM 3044 C C . SER C 3 27 ? 38.929 11.783 12.362 1.00 32.24 ? 25 SER C C 1 ATOM 3045 O O . SER C 3 27 ? 37.746 11.863 12.704 1.00 33.60 ? 25 SER C O 1 ATOM 3046 C CB . SER C 3 27 ? 38.936 14.072 11.319 1.00 35.26 ? 25 SER C CB 1 ATOM 3047 O OG . SER C 3 27 ? 38.637 13.601 10.017 1.00 34.78 ? 25 SER C OG 1 ATOM 3048 N N . VAL C 3 28 ? 39.570 10.625 12.221 1.00 30.08 ? 26 VAL C N 1 ATOM 3049 C CA . VAL C 3 28 ? 38.893 9.335 12.309 1.00 29.31 ? 26 VAL C CA 1 ATOM 3050 C C . VAL C 3 28 ? 38.457 9.007 13.736 1.00 29.96 ? 26 VAL C C 1 ATOM 3051 O O . VAL C 3 28 ? 39.260 9.038 14.665 1.00 29.80 ? 26 VAL C O 1 ATOM 3052 C CB . VAL C 3 28 ? 39.777 8.197 11.742 1.00 27.38 ? 26 VAL C CB 1 ATOM 3053 C CG1 . VAL C 3 28 ? 39.059 6.861 11.821 1.00 27.00 ? 26 VAL C CG1 1 ATOM 3054 C CG2 . VAL C 3 28 ? 40.171 8.494 10.298 1.00 27.19 ? 26 VAL C CG2 1 ATOM 3055 N N . THR C 3 29 ? 37.171 8.698 13.887 1.00 31.08 ? 27 THR C N 1 ATOM 3056 C CA . THR C 3 29 ? 36.599 8.295 15.165 1.00 31.97 ? 27 THR C CA 1 ATOM 3057 C C . THR C 3 29 ? 35.898 6.943 15.019 1.00 31.49 ? 27 THR C C 1 ATOM 3058 O O . THR C 3 29 ? 35.029 6.791 14.161 1.00 32.28 ? 27 THR C O 1 ATOM 3059 C CB . THR C 3 29 ? 35.596 9.340 15.685 1.00 34.33 ? 27 THR C CB 1 ATOM 3060 O OG1 . THR C 3 29 ? 36.212 10.631 15.688 1.00 35.68 ? 27 THR C OG1 1 ATOM 3061 C CG2 . THR C 3 29 ? 35.143 9.003 17.100 1.00 35.64 ? 27 THR C CG2 1 ATOM 3062 N N . PRO C 3 30 ? 36.287 5.948 15.839 1.00 30.83 ? 28 PRO C N 1 ATOM 3063 C CA . PRO C 3 30 ? 37.405 5.988 16.778 1.00 30.58 ? 28 PRO C CA 1 ATOM 3064 C C . PRO C 3 30 ? 38.722 5.740 16.054 1.00 29.01 ? 28 PRO C C 1 ATOM 3065 O O . PRO C 3 30 ? 38.716 5.439 14.861 1.00 28.10 ? 28 PRO C O 1 ATOM 3066 C CB . PRO C 3 30 ? 37.106 4.832 17.740 1.00 30.91 ? 28 PRO C CB 1 ATOM 3067 C CG . PRO C 3 30 ? 35.772 4.291 17.343 1.00 31.17 ? 28 PRO C CG 1 ATOM 3068 C CD . PRO C 3 30 ? 35.552 4.679 15.937 1.00 30.75 ? 28 PRO C CD 1 ATOM 3069 N N . ASP C 3 31 ? 39.833 5.877 16.771 1.00 28.98 ? 29 ASP C N 1 ATOM 3070 C CA . ASP C 3 31 ? 41.162 5.660 16.205 1.00 27.81 ? 29 ASP C CA 1 ATOM 3071 C C . ASP C 3 31 ? 41.913 4.612 17.019 1.00 27.84 ? 29 ASP C C 1 ATOM 3072 O O . ASP C 3 31 ? 42.594 4.934 17.992 1.00 28.92 ? 29 ASP C O 1 ATOM 3073 C CB . ASP C 3 31 ? 41.947 6.979 16.159 1.00 28.35 ? 29 ASP C CB 1 ATOM 3074 C CG . ASP C 3 31 ? 42.027 7.679 17.524 1.00 30.47 ? 29 ASP C CG 1 ATOM 3075 O OD1 . ASP C 3 31 ? 41.135 7.466 18.376 1.00 31.82 ? 29 ASP C OD1 1 ATOM 3076 O OD2 . ASP C 3 31 ? 42.990 8.447 17.743 1.00 31.41 ? 29 ASP C OD2 1 ATOM 3077 N N . ASN C 3 32 ? 41.775 3.351 16.626 1.00 27.20 ? 30 ASN C N 1 ATOM 3078 C CA . ASN C 3 32 ? 42.361 2.252 17.384 1.00 27.71 ? 30 ASN C CA 1 ATOM 3079 C C . ASN C 3 32 ? 43.882 2.182 17.257 1.00 27.64 ? 30 ASN C C 1 ATOM 3080 O O . ASN C 3 32 ? 44.594 2.109 18.260 1.00 28.79 ? 30 ASN C O 1 ATOM 3081 C CB . ASN C 3 32 ? 41.728 0.923 16.963 1.00 27.59 ? 30 ASN C CB 1 ATOM 3082 C CG . ASN C 3 32 ? 42.397 -0.277 17.607 1.00 28.05 ? 30 ASN C CG 1 ATOM 3083 O OD1 . ASN C 3 32 ? 43.224 -0.944 16.989 1.00 27.87 ? 30 ASN C OD1 1 ATOM 3084 N ND2 . ASN C 3 32 ? 42.045 -0.554 18.852 1.00 29.12 ? 30 ASN C ND2 1 ATOM 3085 N N . HIS C 3 33 ? 44.369 2.200 16.021 1.00 26.55 ? 31 HIS C N 1 ATOM 3086 C CA . HIS C 3 33 ? 45.789 2.020 15.746 1.00 26.60 ? 31 HIS C CA 1 ATOM 3087 C C . HIS C 3 33 ? 46.159 2.777 14.481 1.00 25.65 ? 31 HIS C C 1 ATOM 3088 O O . HIS C 3 33 ? 45.296 3.048 13.638 1.00 25.16 ? 31 HIS C O 1 ATOM 3089 C CB . HIS C 3 33 ? 46.119 0.529 15.585 1.00 26.96 ? 31 HIS C CB 1 ATOM 3090 C CG . HIS C 3 33 ? 45.554 -0.082 14.338 1.00 26.36 ? 31 HIS C CG 1 ATOM 3091 N ND1 . HIS C 3 33 ? 44.310 -0.674 14.297 1.00 26.40 ? 31 HIS C ND1 1 ATOM 3092 C CD2 . HIS C 3 33 ? 46.056 -0.173 13.083 1.00 25.68 ? 31 HIS C CD2 1 ATOM 3093 C CE1 . HIS C 3 33 ? 44.075 -1.111 13.072 1.00 26.45 ? 31 HIS C CE1 1 ATOM 3094 N NE2 . HIS C 3 33 ? 45.118 -0.818 12.316 1.00 25.91 ? 31 HIS C NE2 1 ATOM 3095 N N . LEU C 3 34 ? 47.439 3.110 14.349 1.00 25.81 ? 32 LEU C N 1 ATOM 3096 C CA . LEU C 3 34 ? 47.930 3.814 13.168 1.00 25.16 ? 32 LEU C CA 1 ATOM 3097 C C . LEU C 3 34 ? 49.130 3.092 12.565 1.00 25.35 ? 32 LEU C C 1 ATOM 3098 O O . LEU C 3 34 ? 50.065 2.709 13.281 1.00 26.45 ? 32 LEU C O 1 ATOM 3099 C CB . LEU C 3 34 ? 48.285 5.260 13.517 1.00 25.48 ? 32 LEU C CB 1 ATOM 3100 C CG . LEU C 3 34 ? 48.695 6.176 12.363 1.00 25.08 ? 32 LEU C CG 1 ATOM 3101 C CD1 . LEU C 3 34 ? 48.086 7.561 12.527 1.00 25.05 ? 32 LEU C CD1 1 ATOM 3102 C CD2 . LEU C 3 34 ? 50.213 6.234 12.248 1.00 25.00 ? 32 LEU C CD2 1 ATOM 3103 N N . ARG C 3 35 ? 49.100 2.912 11.248 1.00 24.53 ? 33 ARG C N 1 ATOM 3104 C CA . ARG C 3 35 ? 50.135 2.151 10.567 1.00 24.73 ? 33 ARG C CA 1 ATOM 3105 C C . ARG C 3 35 ? 50.810 2.954 9.460 1.00 24.14 ? 33 ARG C C 1 ATOM 3106 O O . ARG C 3 35 ? 50.139 3.600 8.659 1.00 23.53 ? 33 ARG C O 1 ATOM 3107 C CB . ARG C 3 35 ? 49.547 0.855 10.006 1.00 25.09 ? 33 ARG C CB 1 ATOM 3108 C CG . ARG C 3 35 ? 50.585 -0.102 9.440 1.00 25.94 ? 33 ARG C CG 1 ATOM 3109 C CD . ARG C 3 35 ? 49.939 -1.259 8.720 1.00 26.11 ? 33 ARG C CD 1 ATOM 3110 N NE . ARG C 3 35 ? 49.207 -2.149 9.618 1.00 27.16 ? 33 ARG C NE 1 ATOM 3111 C CZ . ARG C 3 35 ? 49.768 -3.114 10.340 1.00 28.63 ? 33 ARG C CZ 1 ATOM 3112 N NH1 . ARG C 3 35 ? 51.079 -3.310 10.285 1.00 29.30 ? 33 ARG C NH1 1 ATOM 3113 N NH2 . ARG C 3 35 ? 49.016 -3.877 11.124 1.00 29.31 ? 33 ARG C NH2 1 ATOM 3114 N N . TRP C 3 36 ? 52.139 2.899 9.429 1.00 24.67 ? 34 TRP C N 1 ATOM 3115 C CA . TRP C 3 36 ? 52.928 3.538 8.375 1.00 24.57 ? 34 TRP C CA 1 ATOM 3116 C C . TRP C 3 36 ? 53.405 2.513 7.353 1.00 25.26 ? 34 TRP C C 1 ATOM 3117 O O . TRP C 3 36 ? 53.996 1.489 7.708 1.00 26.40 ? 34 TRP C O 1 ATOM 3118 C CB . TRP C 3 36 ? 54.123 4.292 8.958 1.00 25.00 ? 34 TRP C CB 1 ATOM 3119 C CG . TRP C 3 36 ? 53.762 5.596 9.591 1.00 24.20 ? 34 TRP C CG 1 ATOM 3120 C CD1 . TRP C 3 36 ? 53.466 5.817 10.905 1.00 24.10 ? 34 TRP C CD1 1 ATOM 3121 C CD2 . TRP C 3 36 ? 53.664 6.866 8.938 1.00 23.62 ? 34 TRP C CD2 1 ATOM 3122 N NE1 . TRP C 3 36 ? 53.187 7.148 11.112 1.00 24.03 ? 34 TRP C NE1 1 ATOM 3123 C CE2 . TRP C 3 36 ? 53.301 7.815 9.920 1.00 23.59 ? 34 TRP C CE2 1 ATOM 3124 C CE3 . TRP C 3 36 ? 53.843 7.296 7.615 1.00 23.23 ? 34 TRP C CE3 1 ATOM 3125 C CZ2 . TRP C 3 36 ? 53.115 9.165 9.624 1.00 23.53 ? 34 TRP C CZ2 1 ATOM 3126 C CZ3 . TRP C 3 36 ? 53.655 8.641 7.321 1.00 23.00 ? 34 TRP C CZ3 1 ATOM 3127 C CH2 . TRP C 3 36 ? 53.294 9.558 8.323 1.00 23.25 ? 34 TRP C CH2 1 ATOM 3128 N N . PHE C 3 37 ? 53.129 2.803 6.086 1.00 25.03 ? 35 PHE C N 1 ATOM 3129 C CA . PHE C 3 37 ? 53.504 1.943 4.974 1.00 25.90 ? 35 PHE C CA 1 ATOM 3130 C C . PHE C 3 37 ? 54.540 2.627 4.095 1.00 26.17 ? 35 PHE C C 1 ATOM 3131 O O . PHE C 3 37 ? 54.530 3.856 3.937 1.00 25.51 ? 35 PHE C O 1 ATOM 3132 C CB . PHE C 3 37 ? 52.286 1.639 4.102 1.00 26.10 ? 35 PHE C CB 1 ATOM 3133 C CG . PHE C 3 37 ? 51.481 0.454 4.544 1.00 26.56 ? 35 PHE C CG 1 ATOM 3134 C CD1 . PHE C 3 37 ? 51.995 -0.834 4.445 1.00 28.28 ? 35 PHE C CD1 1 ATOM 3135 C CD2 . PHE C 3 37 ? 50.183 0.622 5.006 1.00 26.38 ? 35 PHE C CD2 1 ATOM 3136 C CE1 . PHE C 3 37 ? 51.243 -1.941 4.831 1.00 29.16 ? 35 PHE C CE1 1 ATOM 3137 C CE2 . PHE C 3 37 ? 49.415 -0.476 5.389 1.00 27.85 ? 35 PHE C CE2 1 ATOM 3138 C CZ . PHE C 3 37 ? 49.951 -1.764 5.303 1.00 28.91 ? 35 PHE C CZ 1 ATOM 3139 N N . LYS C 3 38 ? 55.420 1.818 3.514 1.00 27.26 ? 36 LYS C N 1 ATOM 3140 C CA . LYS C 3 38 ? 56.346 2.279 2.491 1.00 27.80 ? 36 LYS C CA 1 ATOM 3141 C C . LYS C 3 38 ? 55.978 1.598 1.181 1.00 29.01 ? 36 LYS C C 1 ATOM 3142 O O . LYS C 3 38 ? 55.774 0.382 1.147 1.00 30.25 ? 36 LYS C O 1 ATOM 3143 C CB . LYS C 3 38 ? 57.789 1.946 2.882 1.00 28.70 ? 36 LYS C CB 1 ATOM 3144 C CG . LYS C 3 38 ? 58.824 2.406 1.877 1.00 29.32 ? 36 LYS C CG 1 ATOM 3145 C CD . LYS C 3 38 ? 60.214 1.946 2.250 1.00 30.57 ? 36 LYS C CD 1 ATOM 3146 C CE . LYS C 3 38 ? 61.179 2.197 1.108 1.00 32.02 ? 36 LYS C CE 1 ATOM 3147 N NZ . LYS C 3 38 ? 62.509 1.593 1.368 1.00 34.75 ? 36 LYS C NZ 1 ATOM 3148 N N . GLN C 3 39 ? 55.880 2.381 0.110 1.00 29.18 ? 37 GLN C N 1 ATOM 3149 C CA . GLN C 3 39 ? 55.571 1.835 -1.208 1.00 30.83 ? 37 GLN C CA 1 ATOM 3150 C C . GLN C 3 39 ? 56.547 2.334 -2.271 1.00 32.36 ? 37 GLN C C 1 ATOM 3151 O O . GLN C 3 39 ? 56.572 3.522 -2.605 1.00 31.90 ? 37 GLN C O 1 ATOM 3152 C CB . GLN C 3 39 ? 54.124 2.149 -1.607 1.00 30.34 ? 37 GLN C CB 1 ATOM 3153 C CG . GLN C 3 39 ? 53.719 1.585 -2.967 1.00 31.98 ? 37 GLN C CG 1 ATOM 3154 C CD . GLN C 3 39 ? 52.264 1.835 -3.315 1.00 31.61 ? 37 GLN C CD 1 ATOM 3155 O OE1 . GLN C 3 39 ? 51.723 2.906 -3.054 1.00 30.82 ? 37 GLN C OE1 1 ATOM 3156 N NE2 . GLN C 3 39 ? 51.625 0.843 -3.916 1.00 33.14 ? 37 GLN C NE2 1 ATOM 3157 N N . ASP C 3 40 ? 57.356 1.419 -2.793 1.00 34.62 ? 38 ASP C N 1 ATOM 3158 C CA . ASP C 3 40 ? 58.223 1.728 -3.924 1.00 36.61 ? 38 ASP C CA 1 ATOM 3159 C C . ASP C 3 40 ? 57.379 1.883 -5.182 1.00 38.08 ? 38 ASP C C 1 ATOM 3160 O O . ASP C 3 40 ? 56.269 1.343 -5.268 1.00 38.45 ? 38 ASP C O 1 ATOM 3161 C CB . ASP C 3 40 ? 59.278 0.637 -4.123 1.00 38.80 ? 38 ASP C CB 1 ATOM 3162 C CG . ASP C 3 40 ? 60.364 0.674 -3.062 1.00 38.75 ? 38 ASP C CG 1 ATOM 3163 O OD1 . ASP C 3 40 ? 60.826 1.783 -2.719 1.00 38.54 ? 38 ASP C OD1 1 ATOM 3164 O OD2 . ASP C 3 40 ? 60.764 -0.407 -2.578 1.00 40.15 ? 38 ASP C OD2 1 ATOM 3165 N N . THR C 3 41 ? 57.909 2.632 -6.146 1.00 39.31 ? 39 THR C N 1 ATOM 3166 C CA . THR C 3 41 ? 57.209 2.907 -7.397 1.00 41.04 ? 39 THR C CA 1 ATOM 3167 C C . THR C 3 41 ? 56.910 1.607 -8.138 1.00 43.64 ? 39 THR C C 1 ATOM 3168 O O . THR C 3 41 ? 57.811 0.804 -8.393 1.00 45.34 ? 39 THR C O 1 ATOM 3169 C CB . THR C 3 41 ? 58.021 3.854 -8.306 1.00 42.24 ? 39 THR C CB 1 ATOM 3170 O OG1 . THR C 3 41 ? 59.311 3.285 -8.553 1.00 43.51 ? 39 THR C OG1 1 ATOM 3171 C CG2 . THR C 3 41 ? 58.187 5.236 -7.649 1.00 40.26 ? 39 THR C CG2 1 ATOM 3172 N N . GLY C 3 42 ? 55.633 1.402 -8.451 1.00 44.25 ? 40 GLY C N 1 ATOM 3173 C CA . GLY C 3 42 ? 55.179 0.191 -9.135 1.00 46.98 ? 40 GLY C CA 1 ATOM 3174 C C . GLY C 3 42 ? 55.205 -1.047 -8.256 1.00 46.73 ? 40 GLY C C 1 ATOM 3175 O O . GLY C 3 42 ? 55.209 -2.175 -8.761 1.00 49.70 ? 40 GLY C O 1 ATOM 3176 N N . LYS C 3 43 ? 55.215 -0.844 -6.940 1.00 43.53 ? 41 LYS C N 1 ATOM 3177 C CA . LYS C 3 43 ? 55.349 -1.952 -6.002 1.00 43.18 ? 41 LYS C CA 1 ATOM 3178 C C . LYS C 3 43 ? 54.209 -2.001 -4.979 1.00 40.99 ? 41 LYS C C 1 ATOM 3179 O O . LYS C 3 43 ? 53.210 -1.286 -5.104 1.00 40.02 ? 41 LYS C O 1 ATOM 3180 C CB . LYS C 3 43 ? 56.720 -1.916 -5.308 1.00 42.52 ? 41 LYS C CB 1 ATOM 3181 C CG . LYS C 3 43 ? 57.924 -2.026 -6.250 1.00 45.13 ? 41 LYS C CG 1 ATOM 3182 C CD . LYS C 3 43 ? 58.181 -3.460 -6.709 1.00 48.94 ? 41 LYS C CD 1 ATOM 3183 N N . GLY C 3 44 ? 54.366 -2.860 -3.977 1.00 40.38 ? 42 GLY C N 1 ATOM 3184 C CA . GLY C 3 44 ? 53.322 -3.104 -3.006 1.00 38.62 ? 42 GLY C CA 1 ATOM 3185 C C . GLY C 3 44 ? 53.556 -2.368 -1.713 1.00 35.70 ? 42 GLY C C 1 ATOM 3186 O O . GLY C 3 44 ? 54.373 -1.456 -1.646 1.00 34.69 ? 42 GLY C O 1 ATOM 3187 N N . LEU C 3 45 ? 52.837 -2.786 -0.678 1.00 34.76 ? 43 LEU C N 1 ATOM 3188 C CA . LEU C 3 45 ? 52.829 -2.082 0.590 1.00 32.34 ? 43 LEU C CA 1 ATOM 3189 C C . LEU C 3 45 ? 53.623 -2.847 1.637 1.00 32.82 ? 43 LEU C C 1 ATOM 3190 O O . LEU C 3 45 ? 53.304 -3.992 1.949 1.00 34.49 ? 43 LEU C O 1 ATOM 3191 C CB . LEU C 3 45 ? 51.386 -1.880 1.056 1.00 31.16 ? 43 LEU C CB 1 ATOM 3192 C CG . LEU C 3 45 ? 50.445 -1.112 0.122 1.00 30.79 ? 43 LEU C CG 1 ATOM 3193 C CD1 . LEU C 3 45 ? 49.005 -1.259 0.576 1.00 30.56 ? 43 LEU C CD1 1 ATOM 3194 C CD2 . LEU C 3 45 ? 50.831 0.350 0.057 1.00 29.33 ? 43 LEU C CD2 1 ATOM 3195 N N . VAL C 3 46 ? 54.670 -2.219 2.161 1.00 32.00 ? 44 VAL C N 1 ATOM 3196 C CA . VAL C 3 46 ? 55.480 -2.823 3.217 1.00 32.64 ? 44 VAL C CA 1 ATOM 3197 C C . VAL C 3 46 ? 55.208 -2.066 4.509 1.00 30.73 ? 44 VAL C C 1 ATOM 3198 O O . VAL C 3 46 ? 55.356 -0.844 4.559 1.00 29.45 ? 44 VAL C O 1 ATOM 3199 C CB . VAL C 3 46 ? 57.001 -2.801 2.880 1.00 33.95 ? 44 VAL C CB 1 ATOM 3200 C CG1 . VAL C 3 46 ? 57.804 -3.509 3.960 1.00 35.09 ? 44 VAL C CG1 1 ATOM 3201 C CG2 . VAL C 3 46 ? 57.264 -3.449 1.529 1.00 35.71 ? 44 VAL C CG2 1 ATOM 3202 N N . SER C 3 47 ? 54.786 -2.794 5.539 1.00 31.02 ? 45 SER C N 1 ATOM 3203 C CA . SER C 3 47 ? 54.483 -2.201 6.842 1.00 29.74 ? 45 SER C CA 1 ATOM 3204 C C . SER C 3 47 ? 55.770 -1.841 7.582 1.00 30.37 ? 45 SER C C 1 ATOM 3205 O O . SER C 3 47 ? 56.644 -2.691 7.784 1.00 32.33 ? 45 SER C O 1 ATOM 3206 C CB . SER C 3 47 ? 53.628 -3.158 7.680 1.00 30.29 ? 45 SER C CB 1 ATOM 3207 O OG . SER C 3 47 ? 53.411 -2.647 8.984 1.00 29.50 ? 45 SER C OG 1 ATOM 3208 N N . LEU C 3 48 ? 55.883 -0.577 7.973 1.00 28.96 ? 46 LEU C N 1 ATOM 3209 C CA . LEU C 3 48 ? 57.073 -0.094 8.661 1.00 29.83 ? 46 LEU C CA 1 ATOM 3210 C C . LEU C 3 48 ? 56.909 -0.173 10.177 1.00 30.51 ? 46 LEU C C 1 ATOM 3211 O O . LEU C 3 48 ? 57.824 -0.606 10.889 1.00 32.33 ? 46 LEU C O 1 ATOM 3212 C CB . LEU C 3 48 ? 57.395 1.340 8.237 1.00 28.66 ? 46 LEU C CB 1 ATOM 3213 C CG . LEU C 3 48 ? 57.638 1.614 6.749 1.00 28.69 ? 46 LEU C CG 1 ATOM 3214 C CD1 . LEU C 3 48 ? 57.681 3.121 6.490 1.00 27.81 ? 46 LEU C CD1 1 ATOM 3215 C CD2 . LEU C 3 48 ? 58.914 0.937 6.253 1.00 30.53 ? 46 LEU C CD2 1 ATOM 3216 N N . THR C 3 49 ? 55.740 0.253 10.657 1.00 29.23 ? 47 THR C N 1 ATOM 3217 C CA . THR C 3 49 ? 55.410 0.230 12.078 1.00 29.94 ? 47 THR C CA 1 ATOM 3218 C C . THR C 3 49 ? 53.916 0.420 12.304 1.00 28.72 ? 47 THR C C 1 ATOM 3219 O O . THR C 3 49 ? 53.204 0.945 11.446 1.00 27.36 ? 47 THR C O 1 ATOM 3220 C CB . THR C 3 49 ? 56.177 1.317 12.888 1.00 30.50 ? 47 THR C CB 1 ATOM 3221 O OG1 . THR C 3 49 ? 56.033 1.058 14.289 1.00 31.89 ? 47 THR C OG1 1 ATOM 3222 C CG2 . THR C 3 49 ? 55.652 2.723 12.581 1.00 28.77 ? 47 THR C CG2 1 ATOM 3223 N N . VAL C 3 50 ? 53.455 -0.002 13.476 1.00 29.59 ? 48 VAL C N 1 ATOM 3224 C CA . VAL C 3 50 ? 52.085 0.241 13.881 1.00 28.68 ? 48 VAL C CA 1 ATOM 3225 C C . VAL C 3 50 ? 52.050 0.735 15.325 1.00 29.62 ? 48 VAL C C 1 ATOM 3226 O O . VAL C 3 50 ? 52.523 0.059 16.237 1.00 31.52 ? 48 VAL C O 1 ATOM 3227 C CB . VAL C 3 50 ? 51.172 -1.003 13.647 1.00 28.91 ? 48 VAL C CB 1 ATOM 3228 C CG1 . VAL C 3 50 ? 51.671 -2.221 14.415 1.00 30.73 ? 48 VAL C CG1 1 ATOM 3229 C CG2 . VAL C 3 50 ? 49.722 -0.682 13.993 1.00 28.36 ? 48 VAL C CG2 1 ATOM 3230 N N . LEU C 3 51 ? 51.506 1.935 15.514 1.00 28.72 ? 49 LEU C N 1 ATOM 3231 C CA . LEU C 3 51 ? 51.359 2.519 16.843 1.00 29.76 ? 49 LEU C CA 1 ATOM 3232 C C . LEU C 3 51 ? 49.945 2.289 17.367 1.00 29.62 ? 49 LEU C C 1 ATOM 3233 O O . LEU C 3 51 ? 48.981 2.287 16.596 1.00 28.41 ? 49 LEU C O 1 ATOM 3234 C CB . LEU C 3 51 ? 51.721 4.005 16.829 1.00 29.61 ? 49 LEU C CB 1 ATOM 3235 C CG . LEU C 3 51 ? 53.131 4.315 16.312 1.00 29.71 ? 49 LEU C CG 1 ATOM 3236 C CD1 . LEU C 3 51 ? 53.061 4.889 14.905 1.00 27.24 ? 49 LEU C CD1 1 ATOM 3237 C CD2 . LEU C 3 51 ? 53.871 5.263 17.246 1.00 30.84 ? 49 LEU C CD2 1 ATOM 3238 N N . VAL C 3 52 ? 49.835 2.106 18.680 1.00 31.24 ? 50 VAL C N 1 ATOM 3239 C CA . VAL C 3 52 ? 48.642 1.529 19.303 1.00 31.43 ? 50 VAL C CA 1 ATOM 3240 C C . VAL C 3 52 ? 48.106 2.329 20.507 1.00 32.82 ? 50 VAL C C 1 ATOM 3241 O O . VAL C 3 52 ? 46.891 2.440 20.696 1.00 32.38 ? 50 VAL C O 1 ATOM 3242 C CB . VAL C 3 52 ? 48.923 0.040 19.687 1.00 32.73 ? 50 VAL C CB 1 ATOM 3243 C CG1 . VAL C 3 52 ? 48.086 -0.420 20.871 1.00 34.66 ? 50 VAL C CG1 1 ATOM 3244 C CG2 . VAL C 3 52 ? 48.708 -0.870 18.489 1.00 31.06 ? 50 VAL C CG2 1 ATOM 3245 N N . ASP C 3 53 ? 49.009 2.888 21.310 1.00 34.73 ? 51 ASP C N 1 ATOM 3246 C CA . ASP C 3 53 ? 48.622 3.555 22.559 1.00 37.06 ? 51 ASP C CA 1 ATOM 3247 C C . ASP C 3 53 ? 48.161 5.009 22.389 1.00 36.78 ? 51 ASP C C 1 ATOM 3248 O O . ASP C 3 53 ? 48.277 5.586 21.305 1.00 34.98 ? 51 ASP C O 1 ATOM 3249 C CB . ASP C 3 53 ? 49.759 3.460 23.588 1.00 39.86 ? 51 ASP C CB 1 ATOM 3250 C CG . ASP C 3 53 ? 50.004 2.034 24.068 1.00 41.24 ? 51 ASP C CG 1 ATOM 3251 O OD1 . ASP C 3 53 ? 49.172 1.141 23.801 1.00 40.49 ? 51 ASP C OD1 1 ATOM 3252 O OD2 . ASP C 3 53 ? 51.037 1.803 24.726 1.00 43.98 ? 51 ASP C OD2 1 ATOM 3253 N N . GLN C 3 54 ? 47.629 5.582 23.471 1.00 39.01 ? 52 GLN C N 1 ATOM 3254 C CA . GLN C 3 54 ? 47.190 6.979 23.512 1.00 39.65 ? 52 GLN C CA 1 ATOM 3255 C C . GLN C 3 54 ? 48.362 7.916 23.202 1.00 40.07 ? 52 GLN C C 1 ATOM 3256 O O . GLN C 3 54 ? 48.269 8.766 22.312 1.00 38.87 ? 52 GLN C O 1 ATOM 3257 C CB . GLN C 3 54 ? 46.565 7.297 24.880 1.00 42.61 ? 52 GLN C CB 1 ATOM 3258 C CG . GLN C 3 54 ? 45.802 8.633 24.972 1.00 44.30 ? 52 GLN C CG 1 ATOM 3259 C CD . GLN C 3 54 ? 44.468 8.645 24.215 1.00 43.46 ? 52 GLN C CD 1 ATOM 3260 O OE1 . GLN C 3 54 ? 43.875 7.596 23.927 1.00 41.73 ? 52 GLN C OE1 1 ATOM 3261 N NE2 . GLN C 3 54 ? 43.990 9.847 23.898 1.00 44.08 ? 52 GLN C NE2 1 ATOM 3262 N N . LYS C 3 55 ? 49.458 7.750 23.941 1.00 42.06 ? 53 LYS C N 1 ATOM 3263 C CA . LYS C 3 55 ? 50.724 8.405 23.623 1.00 42.48 ? 53 LYS C CA 1 ATOM 3264 C C . LYS C 3 55 ? 51.749 7.311 23.343 1.00 41.97 ? 53 LYS C C 1 ATOM 3265 O O . LYS C 3 55 ? 52.237 6.653 24.266 1.00 44.47 ? 53 LYS C O 1 ATOM 3266 C CB . LYS C 3 55 ? 51.182 9.324 24.761 1.00 45.97 ? 53 LYS C CB 1 ATOM 3267 N N . ASP C 3 56 ? 52.054 7.111 22.063 1.00 39.25 ? 54 ASP C N 1 ATOM 3268 C CA . ASP C 3 56 ? 52.882 5.988 21.629 1.00 38.56 ? 54 ASP C CA 1 ATOM 3269 C C . ASP C 3 56 ? 54.128 6.428 20.853 1.00 38.21 ? 54 ASP C C 1 ATOM 3270 O O . ASP C 3 56 ? 54.142 7.487 20.219 1.00 37.25 ? 54 ASP C O 1 ATOM 3271 C CB . ASP C 3 56 ? 52.044 5.013 20.788 1.00 36.00 ? 54 ASP C CB 1 ATOM 3272 C CG . ASP C 3 56 ? 52.557 3.577 20.849 1.00 36.55 ? 54 ASP C CG 1 ATOM 3273 O OD1 . ASP C 3 56 ? 53.713 3.345 21.263 1.00 38.52 ? 54 ASP C OD1 1 ATOM 3274 O OD2 . ASP C 3 56 ? 51.792 2.666 20.476 1.00 35.50 ? 54 ASP C OD2 1 ATOM 3275 N N . LYS C 3 57 ? 55.169 5.600 20.927 1.00 39.24 ? 55 LYS C N 1 ATOM 3276 C CA . LYS C 3 57 ? 56.414 5.792 20.182 1.00 39.14 ? 55 LYS C CA 1 ATOM 3277 C C . LYS C 3 57 ? 56.963 4.425 19.770 1.00 39.10 ? 55 LYS C C 1 ATOM 3278 O O . LYS C 3 57 ? 56.901 3.473 20.546 1.00 40.76 ? 55 LYS C O 1 ATOM 3279 C CB . LYS C 3 57 ? 57.444 6.562 21.020 1.00 41.93 ? 55 LYS C CB 1 ATOM 3280 N N . THR C 3 58 ? 57.471 4.325 18.543 1.00 37.67 ? 56 THR C N 1 ATOM 3281 C CA . THR C 3 58 ? 58.030 3.067 18.030 1.00 38.26 ? 56 THR C CA 1 ATOM 3282 C C . THR C 3 58 ? 59.335 3.292 17.280 1.00 38.98 ? 56 THR C C 1 ATOM 3283 O O . THR C 3 58 ? 59.633 4.409 16.858 1.00 38.42 ? 56 THR C O 1 ATOM 3284 C CB . THR C 3 58 ? 57.071 2.337 17.066 1.00 35.76 ? 56 THR C CB 1 ATOM 3285 O OG1 . THR C 3 58 ? 56.734 3.208 15.979 1.00 33.79 ? 56 THR C OG1 1 ATOM 3286 C CG2 . THR C 3 58 ? 55.802 1.869 17.777 1.00 35.43 ? 56 THR C CG2 1 ATOM 3287 N N . SER C 3 59 ? 60.097 2.215 17.107 1.00 40.69 ? 57 SER C N 1 ATOM 3288 C CA . SER C 3 59 ? 61.367 2.263 16.397 1.00 41.84 ? 57 SER C CA 1 ATOM 3289 C C . SER C 3 59 ? 61.585 1.006 15.556 1.00 42.11 ? 57 SER C C 1 ATOM 3290 O O . SER C 3 59 ? 61.279 -0.106 15.988 1.00 43.59 ? 57 SER C O 1 ATOM 3291 C CB . SER C 3 59 ? 62.521 2.449 17.382 1.00 45.26 ? 57 SER C CB 1 ATOM 3292 O OG . SER C 3 59 ? 63.754 2.564 16.694 1.00 46.72 ? 57 SER C OG 1 ATOM 3293 N N . ASN C 3 60 ? 62.116 1.198 14.352 1.00 41.25 ? 58 ASN C N 1 ATOM 3294 C CA . ASN C 3 60 ? 62.414 0.100 13.435 1.00 41.64 ? 58 ASN C CA 1 ATOM 3295 C C . ASN C 3 60 ? 63.645 0.454 12.604 1.00 42.23 ? 58 ASN C C 1 ATOM 3296 O O . ASN C 3 60 ? 63.536 0.843 11.437 1.00 40.36 ? 58 ASN C O 1 ATOM 3297 C CB . ASN C 3 60 ? 61.194 -0.203 12.548 1.00 39.13 ? 58 ASN C CB 1 ATOM 3298 C CG . ASN C 3 60 ? 61.402 -1.408 11.630 1.00 40.15 ? 58 ASN C CG 1 ATOM 3299 O OD1 . ASN C 3 60 ? 62.422 -2.102 11.695 1.00 42.54 ? 58 ASN C OD1 1 ATOM 3300 N ND2 . ASN C 3 60 ? 60.423 -1.656 10.762 1.00 38.19 ? 58 ASN C ND2 1 ATOM 3301 N N . GLY C 3 61 ? 64.814 0.328 13.227 1.00 45.09 ? 59 GLY C N 1 ATOM 3302 C CA . GLY C 3 61 ? 66.070 0.741 12.612 1.00 46.17 ? 59 GLY C CA 1 ATOM 3303 C C . GLY C 3 61 ? 66.107 2.247 12.437 1.00 44.54 ? 59 GLY C C 1 ATOM 3304 O O . GLY C 3 61 ? 65.941 2.997 13.399 1.00 44.84 ? 59 GLY C O 1 ATOM 3305 N N . ARG C 3 62 ? 66.303 2.687 11.199 1.00 43.13 ? 60 ARG C N 1 ATOM 3306 C CA . ARG C 3 62 ? 66.395 4.113 10.887 1.00 41.94 ? 60 ARG C CA 1 ATOM 3307 C C . ARG C 3 62 ? 65.042 4.825 10.962 1.00 39.15 ? 60 ARG C C 1 ATOM 3308 O O . ARG C 3 62 ? 64.986 6.056 10.981 1.00 38.63 ? 60 ARG C O 1 ATOM 3309 C CB . ARG C 3 62 ? 67.048 4.318 9.516 1.00 41.69 ? 60 ARG C CB 1 ATOM 3310 C CG . ARG C 3 62 ? 68.580 4.203 9.532 1.00 45.24 ? 60 ARG C CG 1 ATOM 3311 C CD . ARG C 3 62 ? 69.163 3.720 8.199 1.00 46.39 ? 60 ARG C CD 1 ATOM 3312 N NE . ARG C 3 62 ? 68.574 4.389 7.038 1.00 44.76 ? 60 ARG C NE 1 ATOM 3313 C CZ . ARG C 3 62 ? 67.667 3.842 6.229 1.00 43.55 ? 60 ARG C CZ 1 ATOM 3314 N NH1 . ARG C 3 62 ? 67.231 2.604 6.434 1.00 44.63 ? 60 ARG C NH1 1 ATOM 3315 N NH2 . ARG C 3 62 ? 67.196 4.535 5.208 1.00 41.67 ? 60 ARG C NH2 1 ATOM 3316 N N . TYR C 3 63 ? 63.963 4.047 11.010 1.00 37.84 ? 62 TYR C N 1 ATOM 3317 C CA . TYR C 3 63 ? 62.612 4.590 11.158 1.00 35.62 ? 62 TYR C CA 1 ATOM 3318 C C . TYR C 3 63 ? 62.202 4.672 12.620 1.00 36.19 ? 62 TYR C C 1 ATOM 3319 O O . TYR C 3 63 ? 62.518 3.787 13.418 1.00 38.06 ? 62 TYR C O 1 ATOM 3320 C CB . TYR C 3 63 ? 61.582 3.724 10.426 1.00 34.18 ? 62 TYR C CB 1 ATOM 3321 C CG . TYR C 3 63 ? 61.860 3.475 8.964 1.00 34.53 ? 62 TYR C CG 1 ATOM 3322 C CD1 . TYR C 3 63 ? 62.106 2.185 8.498 1.00 36.61 ? 62 TYR C CD1 1 ATOM 3323 C CD2 . TYR C 3 63 ? 61.859 4.522 8.043 1.00 34.14 ? 62 TYR C CD2 1 ATOM 3324 C CE1 . TYR C 3 63 ? 62.354 1.941 7.151 1.00 37.61 ? 62 TYR C CE1 1 ATOM 3325 C CE2 . TYR C 3 63 ? 62.104 4.292 6.694 1.00 35.18 ? 62 TYR C CE2 1 ATOM 3326 C CZ . TYR C 3 63 ? 62.352 2.998 6.254 1.00 37.04 ? 62 TYR C CZ 1 ATOM 3327 O OH . TYR C 3 63 ? 62.597 2.760 4.917 1.00 38.27 ? 62 TYR C OH 1 ATOM 3328 N N . SER C 3 64 ? 61.498 5.744 12.962 1.00 34.86 ? 63 SER C N 1 ATOM 3329 C CA . SER C 3 64 ? 60.810 5.848 14.243 1.00 35.24 ? 63 SER C CA 1 ATOM 3330 C C . SER C 3 64 ? 59.552 6.687 14.064 1.00 33.01 ? 63 SER C C 1 ATOM 3331 O O . SER C 3 64 ? 59.493 7.550 13.187 1.00 31.78 ? 63 SER C O 1 ATOM 3332 C CB . SER C 3 64 ? 61.719 6.429 15.330 1.00 37.91 ? 63 SER C CB 1 ATOM 3333 O OG . SER C 3 64 ? 62.077 7.766 15.046 1.00 38.47 ? 63 SER C OG 1 ATOM 3334 N N . ALA C 3 65 ? 58.541 6.417 14.882 1.00 32.60 ? 64 ALA C N 1 ATOM 3335 C CA . ALA C 3 65 ? 57.263 7.100 14.752 1.00 30.95 ? 64 ALA C CA 1 ATOM 3336 C C . ALA C 3 65 ? 56.642 7.431 16.101 1.00 32.12 ? 64 ALA C C 1 ATOM 3337 O O . ALA C 3 65 ? 56.855 6.719 17.077 1.00 33.78 ? 64 ALA C O 1 ATOM 3338 C CB . ALA C 3 65 ? 56.305 6.271 13.914 1.00 28.88 ? 64 ALA C CB 1 ATOM 3339 N N . THR C 3 66 ? 55.883 8.522 16.144 1.00 31.73 ? 65 THR C N 1 ATOM 3340 C CA . THR C 3 66 ? 55.143 8.911 17.341 1.00 33.08 ? 65 THR C CA 1 ATOM 3341 C C . THR C 3 66 ? 53.647 8.916 17.056 1.00 31.46 ? 65 THR C C 1 ATOM 3342 O O . THR C 3 66 ? 53.233 9.064 15.907 1.00 29.58 ? 65 THR C O 1 ATOM 3343 C CB . THR C 3 66 ? 55.561 10.309 17.850 1.00 35.07 ? 65 THR C CB 1 ATOM 3344 O OG1 . THR C 3 66 ? 55.439 11.261 16.788 1.00 34.21 ? 65 THR C OG1 1 ATOM 3345 C CG2 . THR C 3 66 ? 56.997 10.302 18.365 1.00 37.17 ? 65 THR C CG2 1 ATOM 3346 N N . LEU C 3 67 ? 52.846 8.742 18.106 1.00 32.54 ? 66 LEU C N 1 ATOM 3347 C CA . LEU C 3 67 ? 51.393 8.871 18.012 1.00 31.66 ? 66 LEU C CA 1 ATOM 3348 C C . LEU C 3 67 ? 50.832 9.607 19.218 1.00 33.93 ? 66 LEU C C 1 ATOM 3349 O O . LEU C 3 67 ? 51.152 9.274 20.359 1.00 35.93 ? 66 LEU C O 1 ATOM 3350 C CB . LEU C 3 67 ? 50.721 7.502 17.873 1.00 30.33 ? 66 LEU C CB 1 ATOM 3351 C CG . LEU C 3 67 ? 49.195 7.486 17.695 1.00 29.60 ? 66 LEU C CG 1 ATOM 3352 C CD1 . LEU C 3 67 ? 48.770 8.076 16.350 1.00 27.89 ? 66 LEU C CD1 1 ATOM 3353 C CD2 . LEU C 3 67 ? 48.641 6.069 17.862 1.00 29.14 ? 66 LEU C CD2 1 ATOM 3354 N N . ASP C 3 68 ? 50.005 10.614 18.950 1.00 34.15 ? 67 ASP C N 1 ATOM 3355 C CA . ASP C 3 68 ? 49.280 11.344 19.986 1.00 36.56 ? 67 ASP C CA 1 ATOM 3356 C C . ASP C 3 68 ? 47.799 11.312 19.620 1.00 35.60 ? 67 ASP C C 1 ATOM 3357 O O . ASP C 3 68 ? 47.369 11.976 18.677 1.00 34.98 ? 67 ASP C O 1 ATOM 3358 C CB . ASP C 3 68 ? 49.781 12.788 20.075 1.00 38.59 ? 67 ASP C CB 1 ATOM 3359 C CG . ASP C 3 68 ? 49.424 13.459 21.392 1.00 42.64 ? 67 ASP C CG 1 ATOM 3360 O OD1 . ASP C 3 68 ? 48.317 13.219 21.923 1.00 44.06 ? 67 ASP C OD1 1 ATOM 3361 O OD2 . ASP C 3 68 ? 50.255 14.243 21.901 1.00 45.69 ? 67 ASP C OD2 1 ATOM 3362 N N . LYS C 3 69 ? 47.020 10.528 20.357 1.00 35.84 ? 68 LYS C N 1 ATOM 3363 C CA . LYS C 3 69 ? 45.614 10.334 20.019 1.00 34.95 ? 68 LYS C CA 1 ATOM 3364 C C . LYS C 3 69 ? 44.731 11.527 20.379 1.00 37.20 ? 68 LYS C C 1 ATOM 3365 O O . LYS C 3 69 ? 43.712 11.763 19.728 1.00 36.78 ? 68 LYS C O 1 ATOM 3366 C CB . LYS C 3 69 ? 45.079 9.049 20.646 1.00 34.53 ? 68 LYS C CB 1 ATOM 3367 C CG . LYS C 3 69 ? 45.601 7.801 19.974 1.00 32.04 ? 68 LYS C CG 1 ATOM 3368 C CD . LYS C 3 69 ? 44.856 6.570 20.429 1.00 30.76 ? 68 LYS C CD 1 ATOM 3369 C CE . LYS C 3 69 ? 45.319 5.355 19.670 1.00 27.95 ? 68 LYS C CE 1 ATOM 3370 N NZ . LYS C 3 69 ? 44.455 4.204 19.984 1.00 28.15 ? 68 LYS C NZ 1 ATOM 3371 N N . ASP C 3 70 ? 45.119 12.272 21.411 1.00 40.13 ? 69 ASP C N 1 ATOM 3372 C CA . ASP C 3 70 ? 44.414 13.496 21.776 1.00 42.97 ? 69 ASP C CA 1 ATOM 3373 C C . ASP C 3 70 ? 44.545 14.546 20.671 1.00 42.63 ? 69 ASP C C 1 ATOM 3374 O O . ASP C 3 70 ? 43.580 15.235 20.342 1.00 43.71 ? 69 ASP C O 1 ATOM 3375 C CB . ASP C 3 70 ? 44.932 14.046 23.108 1.00 46.65 ? 69 ASP C CB 1 ATOM 3376 C CG . ASP C 3 70 ? 44.472 13.221 24.304 1.00 48.88 ? 69 ASP C CG 1 ATOM 3377 O OD1 . ASP C 3 70 ? 43.288 12.811 24.336 1.00 49.45 ? 69 ASP C OD1 1 ATOM 3378 O OD2 . ASP C 3 70 ? 45.293 12.991 25.221 1.00 51.52 ? 69 ASP C OD2 1 ATOM 3379 N N . ALA C 3 71 ? 45.740 14.649 20.097 1.00 41.45 ? 70 ALA C N 1 ATOM 3380 C CA . ALA C 3 71 ? 46.001 15.586 19.015 1.00 41.20 ? 70 ALA C CA 1 ATOM 3381 C C . ALA C 3 71 ? 45.647 14.994 17.649 1.00 38.27 ? 70 ALA C C 1 ATOM 3382 O O . ALA C 3 71 ? 45.678 15.700 16.640 1.00 38.26 ? 70 ALA C O 1 ATOM 3383 C CB . ALA C 3 71 ? 47.457 16.027 19.046 1.00 41.86 ? 70 ALA C CB 1 ATOM 3384 N N . LYS C 3 72 ? 45.302 13.704 17.636 1.00 36.27 ? 71 LYS C N 1 ATOM 3385 C CA . LYS C 3 72 ? 45.049 12.935 16.408 1.00 33.72 ? 71 LYS C CA 1 ATOM 3386 C C . LYS C 3 72 ? 46.158 13.163 15.384 1.00 32.81 ? 71 LYS C C 1 ATOM 3387 O O . LYS C 3 72 ? 45.910 13.529 14.229 1.00 32.17 ? 71 LYS C O 1 ATOM 3388 C CB . LYS C 3 72 ? 43.664 13.233 15.828 1.00 33.96 ? 71 LYS C CB 1 ATOM 3389 C CG . LYS C 3 72 ? 42.517 12.888 16.767 1.00 35.38 ? 71 LYS C CG 1 ATOM 3390 C CD . LYS C 3 72 ? 41.261 12.480 16.013 1.00 34.96 ? 71 LYS C CD 1 ATOM 3391 C CE . LYS C 3 72 ? 40.202 11.975 16.978 1.00 35.94 ? 71 LYS C CE 1 ATOM 3392 N NZ . LYS C 3 72 ? 39.081 11.299 16.278 1.00 35.39 ? 71 LYS C NZ 1 ATOM 3393 N N . HIS C 3 73 ? 47.386 12.924 15.835 1.00 32.95 ? 72 HIS C N 1 ATOM 3394 C CA . HIS C 3 73 ? 48.583 13.307 15.109 1.00 32.79 ? 72 HIS C CA 1 ATOM 3395 C C . HIS C 3 73 ? 49.669 12.235 15.216 1.00 31.71 ? 72 HIS C C 1 ATOM 3396 O O . HIS C 3 73 ? 49.881 11.659 16.287 1.00 32.46 ? 72 HIS C O 1 ATOM 3397 C CB . HIS C 3 73 ? 49.087 14.648 15.657 1.00 35.23 ? 72 HIS C CB 1 ATOM 3398 C CG . HIS C 3 73 ? 50.366 15.122 15.040 1.00 35.94 ? 72 HIS C CG 1 ATOM 3399 N ND1 . HIS C 3 73 ? 51.416 15.608 15.791 1.00 38.32 ? 72 HIS C ND1 1 ATOM 3400 C CD2 . HIS C 3 73 ? 50.765 15.191 13.747 1.00 35.13 ? 72 HIS C CD2 1 ATOM 3401 C CE1 . HIS C 3 73 ? 52.405 15.957 14.988 1.00 38.49 ? 72 HIS C CE1 1 ATOM 3402 N NE2 . HIS C 3 73 ? 52.038 15.712 13.742 1.00 36.58 ? 72 HIS C NE2 1 ATOM 3403 N N . SER C 3 74 ? 50.343 11.977 14.097 1.00 30.29 ? 73 SER C N 1 ATOM 3404 C CA . SER C 3 74 ? 51.476 11.056 14.050 1.00 29.66 ? 73 SER C CA 1 ATOM 3405 C C . SER C 3 74 ? 52.594 11.604 13.167 1.00 29.72 ? 73 SER C C 1 ATOM 3406 O O . SER C 3 74 ? 52.326 12.258 12.159 1.00 29.32 ? 73 SER C O 1 ATOM 3407 C CB . SER C 3 74 ? 51.032 9.687 13.531 1.00 27.97 ? 73 SER C CB 1 ATOM 3408 O OG . SER C 3 74 ? 52.146 8.857 13.236 1.00 27.41 ? 73 SER C OG 1 ATOM 3409 N N . THR C 3 75 ? 53.843 11.338 13.553 1.00 30.36 ? 74 THR C N 1 ATOM 3410 C CA . THR C 3 75 ? 54.997 11.681 12.718 1.00 30.46 ? 74 THR C CA 1 ATOM 3411 C C . THR C 3 75 ? 55.843 10.448 12.389 1.00 29.68 ? 74 THR C C 1 ATOM 3412 O O . THR C 3 75 ? 55.948 9.526 13.196 1.00 29.97 ? 74 THR C O 1 ATOM 3413 C CB . THR C 3 75 ? 55.906 12.760 13.360 1.00 32.69 ? 74 THR C CB 1 ATOM 3414 O OG1 . THR C 3 75 ? 56.497 12.250 14.560 1.00 34.91 ? 74 THR C OG1 1 ATOM 3415 C CG2 . THR C 3 75 ? 55.123 14.020 13.680 1.00 34.13 ? 74 THR C CG2 1 ATOM 3416 N N . LEU C 3 76 ? 56.426 10.437 11.192 1.00 28.86 ? 75 LEU C N 1 ATOM 3417 C CA . LEU C 3 76 ? 57.407 9.425 10.816 1.00 28.59 ? 75 LEU C CA 1 ATOM 3418 C C . LEU C 3 76 ? 58.776 10.071 10.590 1.00 29.74 ? 75 LEU C C 1 ATOM 3419 O O . LEU C 3 76 ? 58.948 10.877 9.669 1.00 29.46 ? 75 LEU C O 1 ATOM 3420 C CB . LEU C 3 76 ? 56.958 8.656 9.567 1.00 27.11 ? 75 LEU C CB 1 ATOM 3421 C CG . LEU C 3 76 ? 57.863 7.507 9.094 1.00 27.26 ? 75 LEU C CG 1 ATOM 3422 C CD1 . LEU C 3 76 ? 57.816 6.311 10.039 1.00 27.24 ? 75 LEU C CD1 1 ATOM 3423 C CD2 . LEU C 3 76 ? 57.492 7.079 7.686 1.00 26.47 ? 75 LEU C CD2 1 ATOM 3424 N N A HIS C 3 77 ? 59.727 9.715 11.451 0.50 31.21 ? 76 HIS C N 1 ATOM 3425 N N B HIS C 3 77 ? 59.745 9.711 11.431 0.50 31.20 ? 76 HIS C N 1 ATOM 3426 C CA A HIS C 3 77 ? 61.098 10.194 11.357 0.50 32.74 ? 76 HIS C CA 1 ATOM 3427 C CA B HIS C 3 77 ? 61.101 10.255 11.346 0.50 32.73 ? 76 HIS C CA 1 ATOM 3428 C C A HIS C 3 77 ? 61.949 9.161 10.637 0.50 32.71 ? 76 HIS C C 1 ATOM 3429 C C B HIS C 3 77 ? 62.065 9.243 10.737 0.50 32.96 ? 76 HIS C C 1 ATOM 3430 O O A HIS C 3 77 ? 61.970 7.994 11.028 0.50 33.06 ? 76 HIS C O 1 ATOM 3431 O O B HIS C 3 77 ? 62.279 8.171 11.304 0.50 33.76 ? 76 HIS C O 1 ATOM 3432 C CB A HIS C 3 77 ? 61.678 10.431 12.753 0.50 35.01 ? 76 HIS C CB 1 ATOM 3433 C CB B HIS C 3 77 ? 61.594 10.678 12.734 0.50 34.97 ? 76 HIS C CB 1 ATOM 3434 C CG A HIS C 3 77 ? 60.801 11.253 13.645 0.50 35.73 ? 76 HIS C CG 1 ATOM 3435 C CG B HIS C 3 77 ? 62.968 11.276 12.735 0.50 37.13 ? 76 HIS C CG 1 ATOM 3436 N ND1 A HIS C 3 77 ? 61.044 12.585 13.906 0.50 37.25 ? 76 HIS C ND1 1 ATOM 3437 N ND1 B HIS C 3 77 ? 63.195 12.625 12.562 0.50 38.13 ? 76 HIS C ND1 1 ATOM 3438 C CD2 A HIS C 3 77 ? 59.686 10.930 14.343 0.50 35.38 ? 76 HIS C CD2 1 ATOM 3439 C CD2 B HIS C 3 77 ? 64.188 10.709 12.893 0.50 38.92 ? 76 HIS C CD2 1 ATOM 3440 C CE1 A HIS C 3 77 ? 60.115 13.048 14.723 0.50 37.91 ? 76 HIS C CE1 1 ATOM 3441 C CE1 B HIS C 3 77 ? 64.493 12.863 12.610 0.50 39.97 ? 76 HIS C CE1 1 ATOM 3442 N NE2 A HIS C 3 77 ? 59.279 12.065 15.004 0.50 36.81 ? 76 HIS C NE2 1 ATOM 3443 N NE2 B HIS C 3 77 ? 65.119 11.717 12.810 0.50 40.60 ? 76 HIS C NE2 1 ATOM 3444 N N . ILE C 3 78 ? 62.640 9.587 9.585 1.00 32.71 ? 77 ILE C N 1 ATOM 3445 C CA . ILE C 3 78 ? 63.655 8.745 8.936 1.00 33.39 ? 77 ILE C CA 1 ATOM 3446 C C . ILE C 3 78 ? 65.024 9.346 9.230 1.00 35.55 ? 77 ILE C C 1 ATOM 3447 O O . ILE C 3 78 ? 65.314 10.467 8.819 1.00 35.91 ? 77 ILE C O 1 ATOM 3448 C CB . ILE C 3 78 ? 63.463 8.616 7.401 1.00 32.16 ? 77 ILE C CB 1 ATOM 3449 C CG1 . ILE C 3 78 ? 62.059 8.114 7.060 1.00 30.29 ? 77 ILE C CG1 1 ATOM 3450 C CG2 . ILE C 3 78 ? 64.509 7.673 6.812 1.00 33.16 ? 77 ILE C CG2 1 ATOM 3451 C CD1 . ILE C 3 78 ? 61.748 8.115 5.569 1.00 29.55 ? 77 ILE C CD1 1 ATOM 3452 N N . THR C 3 79 ? 65.853 8.598 9.947 1.00 37.53 ? 78 THR C N 1 ATOM 3453 C CA . THR C 3 79 ? 67.178 9.067 10.350 1.00 40.32 ? 78 THR C CA 1 ATOM 3454 C C . THR C 3 79 ? 68.224 8.663 9.313 1.00 41.18 ? 78 THR C C 1 ATOM 3455 O O . THR C 3 79 ? 68.212 7.534 8.823 1.00 41.00 ? 78 THR C O 1 ATOM 3456 C CB . THR C 3 79 ? 67.566 8.501 11.729 1.00 42.63 ? 78 THR C CB 1 ATOM 3457 O OG1 . THR C 3 79 ? 66.409 8.476 12.574 1.00 42.02 ? 78 THR C OG1 1 ATOM 3458 C CG2 . THR C 3 79 ? 68.654 9.346 12.380 1.00 45.26 ? 78 THR C CG2 1 ATOM 3459 N N . ALA C 3 80 ? 69.121 9.593 8.988 1.00 42.53 ? 79 ALA C N 1 ATOM 3460 C CA . ALA C 3 80 ? 70.178 9.382 7.988 1.00 43.65 ? 79 ALA C CA 1 ATOM 3461 C C . ALA C 3 80 ? 69.666 8.659 6.740 1.00 41.86 ? 79 ALA C C 1 ATOM 3462 O O . ALA C 3 80 ? 69.898 7.458 6.562 1.00 42.57 ? 79 ALA C O 1 ATOM 3463 C CB . ALA C 3 80 ? 71.372 8.643 8.606 1.00 46.56 ? 79 ALA C CB 1 ATOM 3464 N N . THR C 3 81 ? 68.963 9.402 5.887 1.00 40.01 ? 80 THR C N 1 ATOM 3465 C CA . THR C 3 81 ? 68.321 8.832 4.697 1.00 38.49 ? 80 THR C CA 1 ATOM 3466 C C . THR C 3 81 ? 69.315 8.225 3.708 1.00 39.90 ? 80 THR C C 1 ATOM 3467 O O . THR C 3 81 ? 70.435 8.718 3.558 1.00 41.75 ? 80 THR C O 1 ATOM 3468 C CB . THR C 3 81 ? 67.452 9.872 3.955 1.00 36.86 ? 80 THR C CB 1 ATOM 3469 O OG1 . THR C 3 81 ? 68.248 11.017 3.628 1.00 38.43 ? 80 THR C OG1 1 ATOM 3470 C CG2 . THR C 3 81 ? 66.273 10.307 4.811 1.00 35.29 ? 80 THR C CG2 1 ATOM 3471 N N . LEU C 3 82 ? 68.895 7.144 3.055 1.00 39.43 ? 81 LEU C N 1 ATOM 3472 C CA . LEU C 3 82 ? 69.660 6.515 1.977 1.00 40.89 ? 81 LEU C CA 1 ATOM 3473 C C . LEU C 3 82 ? 68.835 6.533 0.691 1.00 39.70 ? 81 LEU C C 1 ATOM 3474 O O . LEU C 3 82 ? 67.654 6.881 0.718 1.00 37.85 ? 81 LEU C O 1 ATOM 3475 C CB . LEU C 3 82 ? 70.039 5.077 2.345 1.00 42.39 ? 81 LEU C CB 1 ATOM 3476 C CG . LEU C 3 82 ? 70.999 4.852 3.518 1.00 44.48 ? 81 LEU C CG 1 ATOM 3477 C CD1 . LEU C 3 82 ? 70.892 3.425 4.043 1.00 45.27 ? 81 LEU C CD1 1 ATOM 3478 C CD2 . LEU C 3 82 ? 72.439 5.180 3.138 1.00 47.21 ? 81 LEU C CD2 1 ATOM 3479 N N . LEU C 3 83 ? 69.457 6.163 -0.428 1.00 41.23 ? 82 LEU C N 1 ATOM 3480 C CA . LEU C 3 83 ? 68.779 6.122 -1.727 1.00 40.74 ? 82 LEU C CA 1 ATOM 3481 C C . LEU C 3 83 ? 67.530 5.232 -1.697 1.00 39.60 ? 82 LEU C C 1 ATOM 3482 O O . LEU C 3 83 ? 66.501 5.588 -2.273 1.00 38.35 ? 82 LEU C O 1 ATOM 3483 C CB . LEU C 3 83 ? 69.744 5.642 -2.816 1.00 43.22 ? 82 LEU C CB 1 ATOM 3484 C CG . LEU C 3 83 ? 69.741 6.320 -4.193 1.00 43.85 ? 82 LEU C CG 1 ATOM 3485 C CD1 . LEU C 3 83 ? 70.988 5.906 -4.965 1.00 46.54 ? 82 LEU C CD1 1 ATOM 3486 C CD2 . LEU C 3 83 ? 68.482 6.027 -5.013 1.00 43.09 ? 82 LEU C CD2 1 ATOM 3487 N N . ASP C 3 84 ? 67.624 4.094 -1.007 1.00 40.44 ? 83 ASP C N 1 ATOM 3488 C CA . ASP C 3 84 ? 66.521 3.130 -0.883 1.00 39.87 ? 83 ASP C CA 1 ATOM 3489 C C . ASP C 3 84 ? 65.233 3.705 -0.293 1.00 37.19 ? 83 ASP C C 1 ATOM 3490 O O . ASP C 3 84 ? 64.166 3.107 -0.436 1.00 36.50 ? 83 ASP C O 1 ATOM 3491 C CB . ASP C 3 84 ? 66.958 1.924 -0.048 1.00 41.57 ? 83 ASP C CB 1 ATOM 3492 C CG . ASP C 3 84 ? 67.862 0.974 -0.813 1.00 45.60 ? 83 ASP C CG 1 ATOM 3493 O OD1 . ASP C 3 84 ? 67.838 0.996 -2.066 1.00 46.96 ? 83 ASP C OD1 1 ATOM 3494 O OD2 . ASP C 3 84 ? 68.594 0.196 -0.156 1.00 48.51 ? 83 ASP C OD2 1 ATOM 3495 N N . ASP C 3 85 ? 65.336 4.857 0.368 1.00 35.95 ? 84 ASP C N 1 ATOM 3496 C CA . ASP C 3 85 ? 64.180 5.500 0.987 1.00 33.75 ? 84 ASP C CA 1 ATOM 3497 C C . ASP C 3 85 ? 63.292 6.213 -0.022 1.00 32.73 ? 84 ASP C C 1 ATOM 3498 O O . ASP C 3 85 ? 62.165 6.591 0.307 1.00 31.41 ? 84 ASP C O 1 ATOM 3499 C CB . ASP C 3 85 ? 64.616 6.478 2.075 1.00 33.57 ? 84 ASP C CB 1 ATOM 3500 C CG . ASP C 3 85 ? 65.377 5.802 3.195 1.00 35.21 ? 84 ASP C CG 1 ATOM 3501 O OD1 . ASP C 3 85 ? 65.026 4.656 3.568 1.00 35.52 ? 84 ASP C OD1 1 ATOM 3502 O OD2 . ASP C 3 85 ? 66.330 6.429 3.709 1.00 36.39 ? 84 ASP C OD2 1 ATOM 3503 N N . THR C 3 86 ? 63.803 6.405 -1.236 1.00 33.70 ? 85 THR C N 1 ATOM 3504 C CA . THR C 3 86 ? 63.010 6.942 -2.337 1.00 33.43 ? 85 THR C CA 1 ATOM 3505 C C . THR C 3 86 ? 61.757 6.087 -2.500 1.00 32.85 ? 85 THR C C 1 ATOM 3506 O O . THR C 3 86 ? 61.815 4.954 -2.996 1.00 33.95 ? 85 THR C O 1 ATOM 3507 C CB . THR C 3 86 ? 63.809 6.966 -3.656 1.00 35.40 ? 85 THR C CB 1 ATOM 3508 O OG1 . THR C 3 86 ? 65.074 7.603 -3.437 1.00 36.41 ? 85 THR C OG1 1 ATOM 3509 C CG2 . THR C 3 86 ? 63.044 7.710 -4.746 1.00 35.30 ? 85 THR C CG2 1 ATOM 3510 N N . ALA C 3 87 ? 60.633 6.633 -2.048 1.00 31.29 ? 86 ALA C N 1 ATOM 3511 C CA . ALA C 3 87 ? 59.361 5.923 -2.043 1.00 30.81 ? 86 ALA C CA 1 ATOM 3512 C C . ALA C 3 87 ? 58.236 6.829 -1.582 1.00 29.60 ? 86 ALA C C 1 ATOM 3513 O O . ALA C 3 87 ? 58.465 7.947 -1.124 1.00 29.34 ? 86 ALA C O 1 ATOM 3514 C CB . ALA C 3 87 ? 59.439 4.699 -1.133 1.00 30.77 ? 86 ALA C CB 1 ATOM 3515 N N . THR C 3 88 ? 57.015 6.330 -1.708 1.00 29.36 ? 87 THR C N 1 ATOM 3516 C CA . THR C 3 88 ? 55.847 6.980 -1.144 1.00 28.21 ? 87 THR C CA 1 ATOM 3517 C C . THR C 3 88 ? 55.565 6.372 0.230 1.00 27.03 ? 87 THR C C 1 ATOM 3518 O O . THR C 3 88 ? 55.624 5.149 0.399 1.00 27.19 ? 87 THR C O 1 ATOM 3519 C CB . THR C 3 88 ? 54.646 6.825 -2.087 1.00 28.78 ? 87 THR C CB 1 ATOM 3520 O OG1 . THR C 3 88 ? 54.944 7.491 -3.320 1.00 30.34 ? 87 THR C OG1 1 ATOM 3521 C CG2 . THR C 3 88 ? 53.392 7.428 -1.489 1.00 28.07 ? 87 THR C CG2 1 ATOM 3522 N N . TYR C 3 89 ? 55.282 7.231 1.207 1.00 26.23 ? 88 TYR C N 1 ATOM 3523 C CA . TYR C 3 89 ? 54.988 6.782 2.571 1.00 25.54 ? 88 TYR C CA 1 ATOM 3524 C C . TYR C 3 89 ? 53.536 7.053 2.935 1.00 25.08 ? 88 TYR C C 1 ATOM 3525 O O . TYR C 3 89 ? 53.060 8.185 2.825 1.00 25.17 ? 88 TYR C O 1 ATOM 3526 C CB . TYR C 3 89 ? 55.955 7.415 3.576 1.00 25.32 ? 88 TYR C CB 1 ATOM 3527 C CG . TYR C 3 89 ? 57.393 6.996 3.348 1.00 26.17 ? 88 TYR C CG 1 ATOM 3528 C CD1 . TYR C 3 89 ? 58.209 7.683 2.450 1.00 26.78 ? 88 TYR C CD1 1 ATOM 3529 C CD2 . TYR C 3 89 ? 57.929 5.894 4.011 1.00 26.29 ? 88 TYR C CD2 1 ATOM 3530 C CE1 . TYR C 3 89 ? 59.525 7.292 2.229 1.00 27.82 ? 88 TYR C CE1 1 ATOM 3531 C CE2 . TYR C 3 89 ? 59.242 5.497 3.797 1.00 27.47 ? 88 TYR C CE2 1 ATOM 3532 C CZ . TYR C 3 89 ? 60.035 6.198 2.905 1.00 28.31 ? 88 TYR C CZ 1 ATOM 3533 O OH . TYR C 3 89 ? 61.337 5.798 2.692 1.00 29.91 ? 88 TYR C OH 1 ATOM 3534 N N . ILE C 3 90 ? 52.839 6.003 3.363 1.00 25.03 ? 89 ILE C N 1 ATOM 3535 C CA . ILE C 3 90 ? 51.389 6.066 3.561 1.00 24.97 ? 89 ILE C CA 1 ATOM 3536 C C . ILE C 3 90 ? 50.976 5.873 5.020 1.00 24.66 ? 89 ILE C C 1 ATOM 3537 O O . ILE C 3 90 ? 51.391 4.920 5.680 1.00 24.74 ? 89 ILE C O 1 ATOM 3538 C CB . ILE C 3 90 ? 50.644 5.051 2.657 1.00 25.43 ? 89 ILE C CB 1 ATOM 3539 C CG1 . ILE C 3 90 ? 50.914 5.358 1.179 1.00 26.40 ? 89 ILE C CG1 1 ATOM 3540 C CG2 . ILE C 3 90 ? 49.148 5.086 2.931 1.00 25.29 ? 89 ILE C CG2 1 ATOM 3541 C CD1 . ILE C 3 90 ? 50.696 4.182 0.239 1.00 27.30 ? 89 ILE C CD1 1 ATOM 3542 N N . CYS C 3 91 ? 50.156 6.803 5.501 1.00 24.77 ? 90 CYS C N 1 ATOM 3543 C CA . CYS C 3 91 ? 49.550 6.740 6.821 1.00 24.68 ? 90 CYS C CA 1 ATOM 3544 C C . CYS C 3 91 ? 48.183 6.058 6.719 1.00 24.37 ? 90 CYS C C 1 ATOM 3545 O O . CYS C 3 91 ? 47.381 6.386 5.842 1.00 24.75 ? 90 CYS C O 1 ATOM 3546 C CB . CYS C 3 91 ? 49.394 8.158 7.365 1.00 25.29 ? 90 CYS C CB 1 ATOM 3547 S SG . CYS C 3 91 ? 48.785 8.291 9.065 1.00 27.67 ? 90 CYS C SG 1 ATOM 3548 N N . VAL C 3 92 ? 47.924 5.103 7.608 1.00 23.92 ? 91 VAL C N 1 ATOM 3549 C CA . VAL C 3 92 ? 46.648 4.394 7.625 1.00 23.79 ? 91 VAL C CA 1 ATOM 3550 C C . VAL C 3 92 ? 46.109 4.322 9.046 1.00 23.69 ? 91 VAL C C 1 ATOM 3551 O O . VAL C 3 92 ? 46.827 3.920 9.962 1.00 23.91 ? 91 VAL C O 1 ATOM 3552 C CB . VAL C 3 92 ? 46.771 2.961 7.063 1.00 24.18 ? 91 VAL C CB 1 ATOM 3553 C CG1 . VAL C 3 92 ? 45.388 2.373 6.778 1.00 24.57 ? 91 VAL C CG1 1 ATOM 3554 C CG2 . VAL C 3 92 ? 47.618 2.944 5.802 1.00 24.49 ? 91 VAL C CG2 1 ATOM 3555 N N . VAL C 3 93 ? 44.847 4.714 9.218 1.00 23.75 ? 92 VAL C N 1 ATOM 3556 C CA . VAL C 3 93 ? 44.170 4.661 10.513 1.00 23.91 ? 92 VAL C CA 1 ATOM 3557 C C . VAL C 3 93 ? 43.106 3.561 10.502 1.00 24.22 ? 92 VAL C C 1 ATOM 3558 O O . VAL C 3 93 ? 42.248 3.529 9.616 1.00 24.78 ? 92 VAL C O 1 ATOM 3559 C CB . VAL C 3 93 ? 43.500 6.016 10.866 1.00 24.47 ? 92 VAL C CB 1 ATOM 3560 C CG1 . VAL C 3 93 ? 42.678 5.894 12.132 1.00 25.29 ? 92 VAL C CG1 1 ATOM 3561 C CG2 . VAL C 3 93 ? 44.538 7.114 11.028 1.00 24.65 ? 92 VAL C CG2 1 ATOM 3562 N N . GLY C 3 94 ? 43.166 2.663 11.482 1.00 24.27 ? 93 GLY C N 1 ATOM 3563 C CA . GLY C 3 94 ? 42.140 1.636 11.649 1.00 24.69 ? 93 GLY C CA 1 ATOM 3564 C C . GLY C 3 94 ? 41.216 1.992 12.797 1.00 25.16 ? 93 GLY C C 1 ATOM 3565 O O . GLY C 3 94 ? 41.682 2.274 13.905 1.00 25.46 ? 93 GLY C O 1 ATOM 3566 N N . ASP C 3 95 ? 39.911 1.964 12.537 1.00 25.56 ? 94 ASP C N 1 ATOM 3567 C CA . ASP C 3 95 ? 38.915 2.437 13.502 1.00 26.38 ? 94 ASP C CA 1 ATOM 3568 C C . ASP C 3 95 ? 38.400 1.394 14.493 1.00 27.17 ? 94 ASP C C 1 ATOM 3569 O O . ASP C 3 95 ? 37.527 1.695 15.312 1.00 28.20 ? 94 ASP C O 1 ATOM 3570 C CB . ASP C 3 95 ? 37.742 3.128 12.790 1.00 27.14 ? 94 ASP C CB 1 ATOM 3571 C CG . ASP C 3 95 ? 37.020 2.221 11.808 1.00 27.84 ? 94 ASP C CG 1 ATOM 3572 O OD1 . ASP C 3 95 ? 37.139 0.983 11.907 1.00 28.43 ? 94 ASP C OD1 1 ATOM 3573 O OD2 . ASP C 3 95 ? 36.318 2.757 10.928 1.00 29.04 ? 94 ASP C OD2 1 ATOM 3574 N N . ARG C 3 96 ? 38.925 0.172 14.404 1.00 27.06 ? 95 ARG C N 1 ATOM 3575 C CA . ARG C 3 96 ? 38.629 -0.889 15.370 1.00 27.91 ? 95 ARG C CA 1 ATOM 3576 C C . ARG C 3 96 ? 39.868 -1.732 15.598 1.00 27.94 ? 95 ARG C C 1 ATOM 3577 O O . ARG C 3 96 ? 40.755 -1.785 14.749 1.00 27.27 ? 95 ARG C O 1 ATOM 3578 C CB . ARG C 3 96 ? 37.505 -1.810 14.878 1.00 28.77 ? 95 ARG C CB 1 ATOM 3579 C CG . ARG C 3 96 ? 36.173 -1.145 14.559 1.00 29.15 ? 95 ARG C CG 1 ATOM 3580 C CD . ARG C 3 96 ? 35.380 -0.746 15.797 1.00 30.03 ? 95 ARG C CD 1 ATOM 3581 N NE . ARG C 3 96 ? 33.991 -0.459 15.445 1.00 31.52 ? 95 ARG C NE 1 ATOM 3582 C CZ . ARG C 3 96 ? 33.568 0.673 14.883 1.00 31.81 ? 95 ARG C CZ 1 ATOM 3583 N NH1 . ARG C 3 96 ? 32.285 0.825 14.592 1.00 32.67 ? 95 ARG C NH1 1 ATOM 3584 N NH2 . ARG C 3 96 ? 34.421 1.654 14.606 1.00 31.12 ? 95 ARG C NH2 1 ATOM 3585 N N . GLY C 3 97 ? 39.918 -2.400 16.744 1.00 29.06 ? 96 GLY C N 1 ATOM 3586 C CA . GLY C 3 97 ? 40.984 -3.345 17.036 1.00 29.73 ? 96 GLY C CA 1 ATOM 3587 C C . GLY C 3 97 ? 40.592 -4.763 16.689 1.00 30.91 ? 96 GLY C C 1 ATOM 3588 O O . GLY C 3 97 ? 41.058 -5.705 17.325 1.00 32.56 ? 96 GLY C O 1 ATOM 3589 N N . SER C 3 98 ? 39.736 -4.908 15.676 1.00 30.66 ? 97 SER C N 1 ATOM 3590 C CA . SER C 3 98 ? 39.230 -6.206 15.224 1.00 32.05 ? 97 SER C CA 1 ATOM 3591 C C . SER C 3 98 ? 38.895 -6.177 13.731 1.00 31.70 ? 97 SER C C 1 ATOM 3592 O O . SER C 3 98 ? 38.972 -5.129 13.087 1.00 30.42 ? 97 SER C O 1 ATOM 3593 C CB . SER C 3 98 ? 37.982 -6.594 16.021 1.00 33.22 ? 97 SER C CB 1 ATOM 3594 O OG . SER C 3 98 ? 36.864 -5.819 15.618 1.00 32.51 ? 97 SER C OG 1 ATOM 3595 N N . ALA C 3 99 ? 38.500 -7.331 13.196 1.00 33.30 ? 98 ALA C N 1 ATOM 3596 C CA . ALA C 3 99 ? 38.110 -7.468 11.791 1.00 33.62 ? 98 ALA C CA 1 ATOM 3597 C C . ALA C 3 99 ? 36.903 -6.607 11.398 1.00 33.13 ? 98 ALA C C 1 ATOM 3598 O O . ALA C 3 99 ? 36.681 -6.348 10.212 1.00 33.42 ? 98 ALA C O 1 ATOM 3599 C CB . ALA C 3 99 ? 37.839 -8.924 11.466 1.00 36.03 ? 98 ALA C CB 1 ATOM 3600 N N . LEU C 3 100 ? 36.127 -6.172 12.390 1.00 32.82 ? 99 LEU C N 1 ATOM 3601 C CA . LEU C 3 100 ? 34.966 -5.315 12.153 1.00 32.67 ? 99 LEU C CA 1 ATOM 3602 C C . LEU C 3 100 ? 35.359 -3.904 11.725 1.00 31.08 ? 99 LEU C C 1 ATOM 3603 O O . LEU C 3 100 ? 34.500 -3.090 11.384 1.00 31.17 ? 99 LEU C O 1 ATOM 3604 C CB . LEU C 3 100 ? 34.090 -5.236 13.406 1.00 33.24 ? 99 LEU C CB 1 ATOM 3605 C CG . LEU C 3 100 ? 33.353 -6.486 13.886 1.00 35.16 ? 99 LEU C CG 1 ATOM 3606 C CD1 . LEU C 3 100 ? 32.618 -6.175 15.172 1.00 35.59 ? 99 LEU C CD1 1 ATOM 3607 C CD2 . LEU C 3 100 ? 32.391 -7.018 12.835 1.00 36.68 ? 99 LEU C CD2 1 ATOM 3608 N N . GLY C 3 101 ? 36.660 -3.624 11.741 1.00 29.97 ? 100 GLY C N 1 ATOM 3609 C CA . GLY C 3 101 ? 37.172 -2.292 11.457 1.00 28.63 ? 100 GLY C CA 1 ATOM 3610 C C . GLY C 3 101 ? 37.330 -1.947 9.994 1.00 28.53 ? 100 GLY C C 1 ATOM 3611 O O . GLY C 3 101 ? 37.381 -2.829 9.135 1.00 29.27 ? 100 GLY C O 1 ATOM 3612 N N . ARG C 3 102 ? 37.397 -0.646 9.724 1.00 27.87 ? 103 ARG C N 1 ATOM 3613 C CA . ARG C 3 102 ? 37.693 -0.135 8.393 1.00 28.09 ? 103 ARG C CA 1 ATOM 3614 C C . ARG C 3 102 ? 38.989 0.670 8.436 1.00 26.75 ? 103 ARG C C 1 ATOM 3615 O O . ARG C 3 102 ? 39.198 1.486 9.342 1.00 26.04 ? 103 ARG C O 1 ATOM 3616 C CB . ARG C 3 102 ? 36.548 0.738 7.875 1.00 28.94 ? 103 ARG C CB 1 ATOM 3617 C CG . ARG C 3 102 ? 35.191 0.073 7.914 1.00 31.47 ? 103 ARG C CG 1 ATOM 3618 C CD . ARG C 3 102 ? 35.043 -0.971 6.825 1.00 34.40 ? 103 ARG C CD 1 ATOM 3619 N NE . ARG C 3 102 ? 34.157 -0.517 5.755 1.00 37.18 ? 103 ARG C NE 1 ATOM 3620 C CZ . ARG C 3 102 ? 32.867 -0.830 5.671 1.00 39.55 ? 103 ARG C CZ 1 ATOM 3621 N NH1 . ARG C 3 102 ? 32.303 -1.603 6.595 1.00 40.09 ? 103 ARG C NH1 1 ATOM 3622 N NH2 . ARG C 3 102 ? 32.140 -0.373 4.659 1.00 41.68 ? 103 ARG C NH2 1 ATOM 3623 N N . LEU C 3 103 ? 39.859 0.426 7.459 1.00 26.67 ? 104 LEU C N 1 ATOM 3624 C CA . LEU C 3 103 ? 41.103 1.175 7.339 1.00 25.57 ? 104 LEU C CA 1 ATOM 3625 C C . LEU C 3 103 ? 40.857 2.472 6.583 1.00 25.74 ? 104 LEU C C 1 ATOM 3626 O O . LEU C 3 103 ? 40.099 2.498 5.615 1.00 26.90 ? 104 LEU C O 1 ATOM 3627 C CB . LEU C 3 103 ? 42.178 0.341 6.642 1.00 25.65 ? 104 LEU C CB 1 ATOM 3628 C CG . LEU C 3 103 ? 42.511 -1.032 7.239 1.00 26.08 ? 104 LEU C CG 1 ATOM 3629 C CD1 . LEU C 3 103 ? 43.605 -1.722 6.429 1.00 26.44 ? 104 LEU C CD1 1 ATOM 3630 C CD2 . LEU C 3 103 ? 42.908 -0.926 8.705 1.00 25.00 ? 104 LEU C CD2 1 ATOM 3631 N N . HIS C 3 104 ? 41.486 3.547 7.050 1.00 24.92 ? 105 HIS C N 1 ATOM 3632 C CA . HIS C 3 104 ? 41.385 4.853 6.410 1.00 25.26 ? 105 HIS C CA 1 ATOM 3633 C C . HIS C 3 104 ? 42.768 5.272 5.932 1.00 24.70 ? 105 HIS C C 1 ATOM 3634 O O . HIS C 3 104 ? 43.677 5.494 6.738 1.00 23.84 ? 105 HIS C O 1 ATOM 3635 C CB . HIS C 3 104 ? 40.811 5.883 7.379 1.00 25.45 ? 105 HIS C CB 1 ATOM 3636 C CG . HIS C 3 104 ? 39.415 5.578 7.823 1.00 26.33 ? 105 HIS C CG 1 ATOM 3637 N ND1 . HIS C 3 104 ? 39.139 4.784 8.916 1.00 26.00 ? 105 HIS C ND1 1 ATOM 3638 C CD2 . HIS C 3 104 ? 38.217 5.953 7.318 1.00 27.62 ? 105 HIS C CD2 1 ATOM 3639 C CE1 . HIS C 3 104 ? 37.831 4.687 9.067 1.00 26.81 ? 105 HIS C CE1 1 ATOM 3640 N NE2 . HIS C 3 104 ? 37.249 5.386 8.110 1.00 28.18 ? 105 HIS C NE2 1 ATOM 3641 N N . PHE C 3 105 ? 42.913 5.364 4.612 1.00 25.27 ? 106 PHE C N 1 ATOM 3642 C CA . PHE C 3 105 ? 44.201 5.580 3.968 1.00 24.71 ? 106 PHE C CA 1 ATOM 3643 C C . PHE C 3 105 ? 44.449 7.046 3.620 1.00 25.20 ? 106 PHE C C 1 ATOM 3644 O O . PHE C 3 105 ? 43.559 7.729 3.108 1.00 26.51 ? 106 PHE C O 1 ATOM 3645 C CB . PHE C 3 105 ? 44.277 4.757 2.683 1.00 25.62 ? 106 PHE C CB 1 ATOM 3646 C CG . PHE C 3 105 ? 44.480 3.285 2.900 1.00 25.01 ? 106 PHE C CG 1 ATOM 3647 C CD1 . PHE C 3 105 ? 43.404 2.449 3.160 1.00 25.60 ? 106 PHE C CD1 1 ATOM 3648 C CD2 . PHE C 3 105 ? 45.749 2.727 2.793 1.00 24.12 ? 106 PHE C CD2 1 ATOM 3649 C CE1 . PHE C 3 105 ? 43.596 1.079 3.337 1.00 26.50 ? 106 PHE C CE1 1 ATOM 3650 C CE2 . PHE C 3 105 ? 45.951 1.365 2.967 1.00 24.36 ? 106 PHE C CE2 1 ATOM 3651 C CZ . PHE C 3 105 ? 44.876 0.537 3.239 1.00 25.57 ? 106 PHE C CZ 1 ATOM 3652 N N . GLY C 3 106 ? 45.664 7.516 3.897 1.00 24.41 ? 107 GLY C N 1 ATOM 3653 C CA . GLY C 3 106 ? 46.121 8.821 3.432 1.00 25.06 ? 107 GLY C CA 1 ATOM 3654 C C . GLY C 3 106 ? 46.644 8.727 2.010 1.00 26.00 ? 107 GLY C C 1 ATOM 3655 O O . GLY C 3 106 ? 47.015 7.648 1.544 1.00 25.80 ? 107 GLY C O 1 ATOM 3656 N N . ALA C 3 107 ? 46.679 9.862 1.317 1.00 27.33 ? 108 ALA C N 1 ATOM 3657 C CA . ALA C 3 107 ? 47.082 9.898 -0.088 1.00 28.52 ? 108 ALA C CA 1 ATOM 3658 C C . ALA C 3 107 ? 48.585 9.679 -0.306 1.00 27.93 ? 108 ALA C C 1 ATOM 3659 O O . ALA C 3 107 ? 49.018 9.422 -1.432 1.00 29.04 ? 108 ALA C O 1 ATOM 3660 C CB . ALA C 3 107 ? 46.627 11.192 -0.731 1.00 30.45 ? 108 ALA C CB 1 ATOM 3661 N N . GLY C 3 108 ? 49.371 9.788 0.764 1.00 26.58 ? 109 GLY C N 1 ATOM 3662 C CA . GLY C 3 108 ? 50.805 9.516 0.702 1.00 26.18 ? 109 GLY C CA 1 ATOM 3663 C C . GLY C 3 108 ? 51.702 10.736 0.611 1.00 26.89 ? 109 GLY C C 1 ATOM 3664 O O . GLY C 3 108 ? 51.241 11.848 0.343 1.00 28.01 ? 109 GLY C O 1 ATOM 3665 N N . THR C 3 109 ? 52.993 10.516 0.845 1.00 26.62 ? 110 THR C N 1 ATOM 3666 C CA . THR C 3 109 ? 54.018 11.548 0.718 1.00 27.49 ? 110 THR C CA 1 ATOM 3667 C C . THR C 3 109 ? 55.163 10.982 -0.107 1.00 27.82 ? 110 THR C C 1 ATOM 3668 O O . THR C 3 109 ? 55.748 9.963 0.258 1.00 27.28 ? 110 THR C O 1 ATOM 3669 C CB . THR C 3 109 ? 54.557 11.999 2.098 1.00 27.08 ? 110 THR C CB 1 ATOM 3670 O OG1 . THR C 3 109 ? 53.532 12.701 2.807 1.00 27.62 ? 110 THR C OG1 1 ATOM 3671 C CG2 . THR C 3 109 ? 55.764 12.925 1.946 1.00 28.17 ? 110 THR C CG2 1 ATOM 3672 N N . GLN C 3 110 ? 55.477 11.640 -1.218 1.00 29.14 ? 111 GLN C N 1 ATOM 3673 C CA . GLN C 3 110 ? 56.575 11.199 -2.073 1.00 29.86 ? 111 GLN C CA 1 ATOM 3674 C C . GLN C 3 110 ? 57.907 11.667 -1.507 1.00 29.52 ? 111 GLN C C 1 ATOM 3675 O O . GLN C 3 110 ? 58.091 12.852 -1.227 1.00 30.03 ? 111 GLN C O 1 ATOM 3676 C CB . GLN C 3 110 ? 56.393 11.704 -3.509 1.00 31.66 ? 111 GLN C CB 1 ATOM 3677 C CG . GLN C 3 110 ? 55.146 11.175 -4.204 1.00 33.48 ? 111 GLN C CG 1 ATOM 3678 C CD . GLN C 3 110 ? 54.972 11.740 -5.603 1.00 37.82 ? 111 GLN C CD 1 ATOM 3679 O OE1 . GLN C 3 110 ? 54.147 12.632 -5.827 1.00 39.91 ? 111 GLN C OE1 1 ATOM 3680 N NE2 . GLN C 3 110 ? 55.757 11.235 -6.552 1.00 39.08 ? 111 GLN C NE2 1 ATOM 3681 N N . LEU C 3 111 ? 58.828 10.730 -1.321 1.00 29.01 ? 112 LEU C N 1 ATOM 3682 C CA . LEU C 3 111 ? 60.181 11.078 -0.919 1.00 29.44 ? 112 LEU C CA 1 ATOM 3683 C C . LEU C 3 111 ? 61.171 10.729 -2.022 1.00 30.78 ? 112 LEU C C 1 ATOM 3684 O O . LEU C 3 111 ? 61.193 9.600 -2.514 1.00 31.11 ? 112 LEU C O 1 ATOM 3685 C CB . LEU C 3 111 ? 60.564 10.396 0.400 1.00 28.47 ? 112 LEU C CB 1 ATOM 3686 C CG . LEU C 3 111 ? 61.981 10.650 0.934 1.00 29.42 ? 112 LEU C CG 1 ATOM 3687 C CD1 . LEU C 3 111 ? 62.239 12.127 1.196 1.00 29.53 ? 112 LEU C CD1 1 ATOM 3688 C CD2 . LEU C 3 111 ? 62.254 9.833 2.194 1.00 29.44 ? 112 LEU C CD2 1 ATOM 3689 N N . ILE C 3 112 ? 61.967 11.719 -2.417 1.00 31.96 ? 113 ILE C N 1 ATOM 3690 C CA . ILE C 3 112 ? 63.084 11.509 -3.335 1.00 33.55 ? 113 ILE C CA 1 ATOM 3691 C C . ILE C 3 112 ? 64.387 11.852 -2.613 1.00 34.27 ? 113 ILE C C 1 ATOM 3692 O O . ILE C 3 112 ? 64.561 12.970 -2.120 1.00 34.52 ? 113 ILE C O 1 ATOM 3693 C CB . ILE C 3 112 ? 62.938 12.340 -4.640 1.00 34.93 ? 113 ILE C CB 1 ATOM 3694 C CG1 . ILE C 3 112 ? 61.742 11.840 -5.464 1.00 34.90 ? 113 ILE C CG1 1 ATOM 3695 C CG2 . ILE C 3 112 ? 64.228 12.294 -5.465 1.00 36.54 ? 113 ILE C CG2 1 ATOM 3696 C CD1 . ILE C 3 112 ? 61.405 12.693 -6.688 1.00 36.36 ? 113 ILE C CD1 1 ATOM 3697 N N . VAL C 3 113 ? 65.286 10.876 -2.531 1.00 34.98 ? 114 VAL C N 1 ATOM 3698 C CA . VAL C 3 113 ? 66.600 11.090 -1.928 1.00 36.22 ? 114 VAL C CA 1 ATOM 3699 C C . VAL C 3 113 ? 67.642 11.261 -3.033 1.00 38.24 ? 114 VAL C C 1 ATOM 3700 O O . VAL C 3 113 ? 67.720 10.450 -3.957 1.00 38.98 ? 114 VAL C O 1 ATOM 3701 C CB . VAL C 3 113 ? 67.002 9.935 -0.958 1.00 36.20 ? 114 VAL C CB 1 ATOM 3702 C CG1 . VAL C 3 113 ? 68.399 10.159 -0.387 1.00 37.78 ? 114 VAL C CG1 1 ATOM 3703 C CG2 . VAL C 3 113 ? 65.988 9.789 0.174 1.00 34.19 ? 114 VAL C CG2 1 ATOM 3704 N N . ILE C 3 114 ? 68.419 12.335 -2.943 1.00 39.54 ? 115 ILE C N 1 ATOM 3705 C CA . ILE C 3 114 ? 69.512 12.585 -3.876 1.00 41.87 ? 115 ILE C CA 1 ATOM 3706 C C . ILE C 3 114 ? 70.811 11.996 -3.313 1.00 43.41 ? 115 ILE C C 1 ATOM 3707 O O . ILE C 3 114 ? 71.207 12.329 -2.192 1.00 43.71 ? 115 ILE C O 1 ATOM 3708 C CB . ILE C 3 114 ? 69.666 14.095 -4.185 1.00 42.69 ? 115 ILE C CB 1 ATOM 3709 C CG1 . ILE C 3 114 ? 68.516 14.568 -5.075 1.00 42.25 ? 115 ILE C CG1 1 ATOM 3710 C CG2 . ILE C 3 114 ? 71.017 14.389 -4.848 1.00 45.18 ? 115 ILE C CG2 1 ATOM 3711 C CD1 . ILE C 3 114 ? 68.547 16.048 -5.405 1.00 44.21 ? 115 ILE C CD1 1 ATOM 3712 N N . PRO C 3 115 ? 71.470 11.109 -4.084 1.00 44.97 ? 116 PRO C N 1 ATOM 3713 C CA . PRO C 3 115 ? 72.700 10.479 -3.606 1.00 46.83 ? 116 PRO C CA 1 ATOM 3714 C C . PRO C 3 115 ? 73.909 11.398 -3.766 1.00 48.97 ? 116 PRO C C 1 ATOM 3715 O O . PRO C 3 115 ? 73.951 12.201 -4.703 1.00 49.62 ? 116 PRO C O 1 ATOM 3716 C CB . PRO C 3 115 ? 72.836 9.262 -4.519 1.00 47.99 ? 116 PRO C CB 1 ATOM 3717 C CG . PRO C 3 115 ? 72.210 9.699 -5.807 1.00 47.87 ? 116 PRO C CG 1 ATOM 3718 C CD . PRO C 3 115 ? 71.108 10.660 -5.443 1.00 45.52 ? 116 PRO C CD 1 ATOM 3719 N N . ASP C 3 116 ? 74.879 11.292 -2.859 1.00 50.41 ? 117 ASP C N 1 ATOM 3720 C CA . ASP C 3 116 ? 76.121 12.057 -3.008 1.00 53.00 ? 117 ASP C CA 1 ATOM 3721 C C . ASP C 3 116 ? 77.173 11.244 -3.748 1.00 55.35 ? 117 ASP C C 1 ATOM 3722 O O . ASP C 3 116 ? 77.412 10.077 -3.431 1.00 55.97 ? 117 ASP C O 1 ATOM 3723 C CB . ASP C 3 116 ? 76.657 12.579 -1.662 1.00 53.87 ? 117 ASP C CB 1 ATOM 3724 C CG . ASP C 3 116 ? 76.924 11.470 -0.656 1.00 54.86 ? 117 ASP C CG 1 ATOM 3725 O OD1 . ASP C 3 116 ? 78.082 11.355 -0.196 1.00 57.95 ? 117 ASP C OD1 1 ATOM 3726 O OD2 . ASP C 3 116 ? 75.982 10.716 -0.323 1.00 53.21 ? 117 ASP C OD2 1 ATOM 3727 N N . ILE C 3 117 ? 77.775 11.870 -4.752 1.00 67.82 ? 118 ILE C N 1 ATOM 3728 C CA . ILE C 3 117 ? 78.832 11.239 -5.532 1.00 66.37 ? 118 ILE C CA 1 ATOM 3729 C C . ILE C 3 117 ? 80.179 11.747 -5.027 1.00 69.81 ? 118 ILE C C 1 ATOM 3730 O O . ILE C 3 117 ? 80.527 12.917 -5.217 1.00 72.30 ? 118 ILE C O 1 ATOM 3731 C CB . ILE C 3 117 ? 78.667 11.513 -7.051 1.00 64.32 ? 118 ILE C CB 1 ATOM 3732 C CG1 . ILE C 3 117 ? 77.235 11.198 -7.521 1.00 61.49 ? 118 ILE C CG1 1 ATOM 3733 C CG2 . ILE C 3 117 ? 79.720 10.754 -7.864 1.00 63.40 ? 118 ILE C CG2 1 ATOM 3734 C CD1 . ILE C 3 117 ? 76.762 9.761 -7.281 1.00 58.78 ? 118 ILE C CD1 1 ATOM 3735 N N . GLN C 3 118 ? 80.920 10.861 -4.366 1.00 70.46 ? 119 GLN C N 1 ATOM 3736 C CA . GLN C 3 118 ? 82.203 11.217 -3.757 1.00 74.22 ? 119 GLN C CA 1 ATOM 3737 C C . GLN C 3 118 ? 83.309 11.372 -4.799 1.00 74.61 ? 119 GLN C C 1 ATOM 3738 O O . GLN C 3 118 ? 84.211 12.199 -4.638 1.00 78.18 ? 119 GLN C O 1 ATOM 3739 C CB . GLN C 3 118 ? 82.608 10.181 -2.703 1.00 75.37 ? 119 GLN C CB 1 ATOM 3740 N N . ASN C 3 119 ? 83.230 10.574 -5.863 1.00 71.34 ? 120 ASN C N 1 ATOM 3741 C CA . ASN C 3 119 ? 84.228 10.605 -6.928 1.00 71.91 ? 120 ASN C CA 1 ATOM 3742 C C . ASN C 3 119 ? 83.600 10.740 -8.324 1.00 69.05 ? 120 ASN C C 1 ATOM 3743 O O . ASN C 3 119 ? 83.443 9.743 -9.038 1.00 66.58 ? 120 ASN C O 1 ATOM 3744 C CB . ASN C 3 119 ? 85.134 9.371 -6.846 1.00 72.34 ? 120 ASN C CB 1 ATOM 3745 C CG . ASN C 3 119 ? 85.815 9.235 -5.493 1.00 75.64 ? 120 ASN C CG 1 ATOM 3746 O OD1 . ASN C 3 119 ? 86.788 9.931 -5.199 1.00 79.43 ? 120 ASN C OD1 1 ATOM 3747 N ND2 . ASN C 3 119 ? 85.302 8.332 -4.663 1.00 74.45 ? 120 ASN C ND2 1 ATOM 3748 N N . PRO C 3 120 ? 83.231 11.978 -8.714 1.00 69.87 ? 121 PRO C N 1 ATOM 3749 C CA . PRO C 3 120 ? 82.672 12.209 -10.048 1.00 67.90 ? 121 PRO C CA 1 ATOM 3750 C C . PRO C 3 120 ? 83.727 12.092 -11.151 1.00 69.00 ? 121 PRO C C 1 ATOM 3751 O O . PRO C 3 120 ? 84.871 12.508 -10.963 1.00 72.51 ? 121 PRO C O 1 ATOM 3752 C CB . PRO C 3 120 ? 82.136 13.642 -9.962 1.00 70.06 ? 121 PRO C CB 1 ATOM 3753 C CG . PRO C 3 120 ? 82.951 14.291 -8.903 1.00 74.05 ? 121 PRO C CG 1 ATOM 3754 C CD . PRO C 3 120 ? 83.286 13.217 -7.914 1.00 73.27 ? 121 PRO C CD 1 ATOM 3755 N N . ASP C 3 121 ? 83.330 11.519 -12.284 1.00 66.36 ? 122 ASP C N 1 ATOM 3756 C CA . ASP C 3 121 ? 84.222 11.325 -13.424 1.00 67.65 ? 122 ASP C CA 1 ATOM 3757 C C . ASP C 3 121 ? 83.441 11.358 -14.748 1.00 65.77 ? 122 ASP C C 1 ATOM 3758 O O . ASP C 3 121 ? 83.341 10.339 -15.433 1.00 63.82 ? 122 ASP C O 1 ATOM 3759 C CB . ASP C 3 121 ? 84.982 9.999 -13.268 1.00 67.29 ? 122 ASP C CB 1 ATOM 3760 C CG . ASP C 3 121 ? 86.158 9.865 -14.231 1.00 70.08 ? 122 ASP C CG 1 ATOM 3761 O OD1 . ASP C 3 121 ? 86.710 10.894 -14.683 1.00 73.43 ? 122 ASP C OD1 1 ATOM 3762 O OD2 . ASP C 3 121 ? 86.535 8.714 -14.527 1.00 69.23 ? 122 ASP C OD2 1 ATOM 3763 N N . PRO C 3 122 ? 82.899 12.538 -15.121 1.00 66.94 ? 123 PRO C N 1 ATOM 3764 C CA . PRO C 3 122 ? 82.015 12.654 -16.288 1.00 65.57 ? 123 PRO C CA 1 ATOM 3765 C C . PRO C 3 122 ? 82.659 12.206 -17.603 1.00 66.56 ? 123 PRO C C 1 ATOM 3766 O O . PRO C 3 122 ? 83.798 12.581 -17.901 1.00 70.22 ? 123 PRO C O 1 ATOM 3767 C CB . PRO C 3 122 ? 81.676 14.150 -16.332 1.00 68.45 ? 123 PRO C CB 1 ATOM 3768 C CG . PRO C 3 122 ? 82.757 14.815 -15.563 1.00 72.26 ? 123 PRO C CG 1 ATOM 3769 C CD . PRO C 3 122 ? 83.138 13.850 -14.491 1.00 70.43 ? 123 PRO C CD 1 ATOM 3770 N N . ALA C 3 123 ? 81.917 11.406 -18.370 1.00 63.74 ? 124 ALA C N 1 ATOM 3771 C CA . ALA C 3 123 ? 82.388 10.853 -19.640 1.00 64.63 ? 124 ALA C CA 1 ATOM 3772 C C . ALA C 3 123 ? 81.230 10.438 -20.548 1.00 62.12 ? 124 ALA C C 1 ATOM 3773 O O . ALA C 3 123 ? 80.123 10.171 -20.072 1.00 59.06 ? 124 ALA C O 1 ATOM 3774 C CB . ALA C 3 123 ? 83.303 9.668 -19.385 1.00 64.49 ? 124 ALA C CB 1 ATOM 3775 N N . VAL C 3 124 ? 81.492 10.393 -21.855 1.00 63.99 ? 125 VAL C N 1 ATOM 3776 C CA . VAL C 3 124 ? 80.524 9.888 -22.837 1.00 62.20 ? 125 VAL C CA 1 ATOM 3777 C C . VAL C 3 124 ? 81.141 8.760 -23.670 1.00 62.80 ? 125 VAL C C 1 ATOM 3778 O O . VAL C 3 124 ? 82.130 8.969 -24.378 1.00 66.43 ? 125 VAL C O 1 ATOM 3779 C CB . VAL C 3 124 ? 79.981 11.010 -23.764 1.00 64.56 ? 125 VAL C CB 1 ATOM 3780 C CG1 . VAL C 3 124 ? 79.079 10.432 -24.852 1.00 63.22 ? 125 VAL C CG1 1 ATOM 3781 C CG2 . VAL C 3 124 ? 79.223 12.056 -22.961 1.00 64.26 ? 125 VAL C CG2 1 ATOM 3782 N N . TYR C 3 125 ? 80.549 7.570 -23.574 1.00 59.68 ? 126 TYR C N 1 ATOM 3783 C CA . TYR C 3 125 ? 81.037 6.389 -24.293 1.00 60.40 ? 126 TYR C CA 1 ATOM 3784 C C . TYR C 3 125 ? 80.052 5.913 -25.360 1.00 59.43 ? 126 TYR C C 1 ATOM 3785 O O . TYR C 3 125 ? 78.844 6.125 -25.240 1.00 57.10 ? 126 TYR C O 1 ATOM 3786 C CB . TYR C 3 125 ? 81.316 5.243 -23.316 1.00 58.48 ? 126 TYR C CB 1 ATOM 3787 C CG . TYR C 3 125 ? 82.235 5.598 -22.169 1.00 59.47 ? 126 TYR C CG 1 ATOM 3788 C CD1 . TYR C 3 125 ? 83.609 5.753 -22.366 1.00 63.33 ? 126 TYR C CD1 1 ATOM 3789 C CD2 . TYR C 3 125 ? 81.732 5.765 -20.882 1.00 56.88 ? 126 TYR C CD2 1 ATOM 3790 C CE1 . TYR C 3 125 ? 84.454 6.079 -21.308 1.00 64.64 ? 126 TYR C CE1 1 ATOM 3791 C CE2 . TYR C 3 125 ? 82.569 6.085 -19.819 1.00 58.11 ? 126 TYR C CE2 1 ATOM 3792 C CZ . TYR C 3 125 ? 83.923 6.239 -20.037 1.00 61.97 ? 126 TYR C CZ 1 ATOM 3793 O OH . TYR C 3 125 ? 84.740 6.557 -18.980 1.00 63.82 ? 126 TYR C OH 1 ATOM 3794 N N . GLN C 3 126 ? 80.576 5.266 -26.400 1.00 61.75 ? 127 GLN C N 1 ATOM 3795 C CA . GLN C 3 126 ? 79.736 4.677 -27.439 1.00 61.30 ? 127 GLN C CA 1 ATOM 3796 C C . GLN C 3 126 ? 79.685 3.162 -27.294 1.00 59.79 ? 127 GLN C C 1 ATOM 3797 O O . GLN C 3 126 ? 80.718 2.489 -27.311 1.00 61.81 ? 127 GLN C O 1 ATOM 3798 C CB . GLN C 3 126 ? 80.221 5.067 -28.836 1.00 65.69 ? 127 GLN C CB 1 ATOM 3799 C CG . GLN C 3 126 ? 79.240 4.700 -29.948 1.00 65.94 ? 127 GLN C CG 1 ATOM 3800 C CD . GLN C 3 126 ? 79.684 5.176 -31.317 1.00 71.16 ? 127 GLN C CD 1 ATOM 3801 O OE1 . GLN C 3 126 ? 78.974 5.930 -31.981 1.00 72.41 ? 127 GLN C OE1 1 ATOM 3802 N NE2 . GLN C 3 126 ? 80.863 4.738 -31.748 1.00 74.71 ? 127 GLN C NE2 1 ATOM 3803 N N . LEU C 3 127 ? 78.469 2.640 -27.154 1.00 56.78 ? 128 LEU C N 1 ATOM 3804 C CA . LEU C 3 127 ? 78.236 1.214 -26.932 1.00 55.54 ? 128 LEU C CA 1 ATOM 3805 C C . LEU C 3 127 ? 77.563 0.594 -28.155 1.00 56.44 ? 128 LEU C C 1 ATOM 3806 O O . LEU C 3 127 ? 76.633 1.175 -28.717 1.00 56.04 ? 128 LEU C O 1 ATOM 3807 C CB . LEU C 3 127 ? 77.365 0.998 -25.685 1.00 51.85 ? 128 LEU C CB 1 ATOM 3808 C CG . LEU C 3 127 ? 77.880 1.306 -24.270 1.00 50.84 ? 128 LEU C CG 1 ATOM 3809 C CD1 . LEU C 3 127 ? 78.277 2.767 -24.084 1.00 51.79 ? 128 LEU C CD1 1 ATOM 3810 C CD2 . LEU C 3 127 ? 76.824 0.927 -23.243 1.00 47.70 ? 128 LEU C CD2 1 ATOM 3811 N N . ARG C 3 128 ? 78.031 -0.585 -28.557 1.00 58.15 ? 129 ARG C N 1 ATOM 3812 C CA . ARG C 3 128 ? 77.543 -1.227 -29.779 1.00 59.82 ? 129 ARG C CA 1 ATOM 3813 C C . ARG C 3 128 ? 76.696 -2.470 -29.504 1.00 58.10 ? 129 ARG C C 1 ATOM 3814 O O . ARG C 3 128 ? 76.955 -3.211 -28.551 1.00 57.00 ? 129 ARG C O 1 ATOM 3815 C CB . ARG C 3 128 ? 78.708 -1.554 -30.721 1.00 64.46 ? 129 ARG C CB 1 ATOM 3816 C CG . ARG C 3 128 ? 79.688 -0.397 -30.919 1.00 67.11 ? 129 ARG C CG 1 ATOM 3817 C CD . ARG C 3 128 ? 80.462 -0.517 -32.218 1.00 72.68 ? 129 ARG C CD 1 ATOM 3818 N NE . ARG C 3 128 ? 79.696 -0.017 -33.359 1.00 74.12 ? 129 ARG C NE 1 ATOM 3819 C CZ . ARG C 3 128 ? 79.786 1.217 -33.849 1.00 76.14 ? 129 ARG C CZ 1 ATOM 3820 N NH1 . ARG C 3 128 ? 79.045 1.569 -34.892 1.00 77.85 ? 129 ARG C NH1 1 ATOM 3821 N NH2 . ARG C 3 128 ? 80.611 2.103 -33.306 1.00 76.95 ? 129 ARG C NH2 1 ATOM 3822 N N . ASP C 3 129 ? 75.685 -2.677 -30.351 1.00 58.27 ? 130 ASP C N 1 ATOM 3823 C CA . ASP C 3 129 ? 74.754 -3.804 -30.243 1.00 57.30 ? 130 ASP C CA 1 ATOM 3824 C C . ASP C 3 129 ? 75.503 -5.129 -30.270 1.00 59.65 ? 130 ASP C C 1 ATOM 3825 O O . ASP C 3 129 ? 76.447 -5.302 -31.043 1.00 63.24 ? 130 ASP C O 1 ATOM 3826 C CB . ASP C 3 129 ? 73.723 -3.753 -31.381 1.00 58.28 ? 130 ASP C CB 1 ATOM 3827 C CG . ASP C 3 129 ? 72.560 -4.735 -31.189 1.00 57.53 ? 130 ASP C CG 1 ATOM 3828 O OD1 . ASP C 3 129 ? 72.795 -5.947 -30.991 1.00 59.22 ? 130 ASP C OD1 1 ATOM 3829 O OD2 . ASP C 3 129 ? 71.395 -4.294 -31.262 1.00 56.01 ? 130 ASP C OD2 1 ATOM 3830 N N . SER C 3 130 ? 75.069 -6.056 -29.422 1.00 58.25 ? 131 SER C N 1 ATOM 3831 C CA . SER C 3 130 ? 75.695 -7.368 -29.322 1.00 60.82 ? 131 SER C CA 1 ATOM 3832 C C . SER C 3 130 ? 75.456 -8.221 -30.562 1.00 63.99 ? 131 SER C C 1 ATOM 3833 O O . SER C 3 130 ? 76.260 -9.099 -30.873 1.00 67.63 ? 131 SER C O 1 ATOM 3834 C CB . SER C 3 130 ? 75.204 -8.108 -28.075 1.00 59.09 ? 131 SER C CB 1 ATOM 3835 O OG . SER C 3 130 ? 73.849 -8.508 -28.206 1.00 58.57 ? 131 SER C OG 1 ATOM 3836 N N . LYS C 3 131 ? 74.360 -7.957 -31.267 1.00 63.17 ? 132 LYS C N 1 ATOM 3837 C CA . LYS C 3 131 ? 73.975 -8.779 -32.415 1.00 66.59 ? 132 LYS C CA 1 ATOM 3838 C C . LYS C 3 131 ? 74.031 -8.069 -33.771 1.00 68.83 ? 132 LYS C C 1 ATOM 3839 O O . LYS C 3 131 ? 74.043 -8.725 -34.816 1.00 72.51 ? 132 LYS C O 1 ATOM 3840 C CB . LYS C 3 131 ? 72.598 -9.415 -32.191 1.00 65.29 ? 132 LYS C CB 1 ATOM 3841 C CG . LYS C 3 131 ? 72.603 -10.511 -31.137 1.00 65.31 ? 132 LYS C CG 1 ATOM 3842 C CD . LYS C 3 131 ? 71.513 -11.537 -31.387 1.00 67.06 ? 132 LYS C CD 1 ATOM 3843 C CE . LYS C 3 131 ? 71.470 -12.583 -30.279 1.00 67.68 ? 132 LYS C CE 1 ATOM 3844 N NZ . LYS C 3 131 ? 72.717 -13.398 -30.196 1.00 70.57 ? 132 LYS C NZ 1 ATOM 3845 N N . SER C 3 132 ? 74.071 -6.737 -33.750 1.00 67.11 ? 133 SER C N 1 ATOM 3846 C CA . SER C 3 132 ? 74.121 -5.943 -34.979 1.00 69.60 ? 133 SER C CA 1 ATOM 3847 C C . SER C 3 132 ? 74.972 -4.687 -34.783 1.00 69.24 ? 133 SER C C 1 ATOM 3848 O O . SER C 3 132 ? 74.457 -3.625 -34.417 1.00 66.64 ? 133 SER C O 1 ATOM 3849 C CB . SER C 3 132 ? 72.704 -5.581 -35.439 1.00 68.51 ? 133 SER C CB 1 ATOM 3850 O OG . SER C 3 132 ? 72.663 -5.335 -36.833 1.00 72.54 ? 133 SER C OG 1 ATOM 3851 N N . SER C 3 133 ? 76.272 -4.818 -35.051 1.00 72.38 ? 134 SER C N 1 ATOM 3852 C CA . SER C 3 133 ? 77.270 -3.788 -34.722 1.00 72.62 ? 134 SER C CA 1 ATOM 3853 C C . SER C 3 133 ? 77.055 -2.402 -35.345 1.00 73.21 ? 134 SER C C 1 ATOM 3854 O O . SER C 3 133 ? 77.695 -1.433 -34.929 1.00 73.05 ? 134 SER C O 1 ATOM 3855 C CB . SER C 3 133 ? 78.680 -4.294 -35.042 1.00 77.17 ? 134 SER C CB 1 ATOM 3856 O OG . SER C 3 133 ? 79.110 -5.239 -34.081 1.00 76.63 ? 134 SER C OG 1 ATOM 3857 N N . ASP C 3 134 ? 76.165 -2.312 -36.332 1.00 74.34 ? 135 ASP C N 1 ATOM 3858 C CA . ASP C 3 134 ? 75.826 -1.031 -36.961 1.00 75.35 ? 135 ASP C CA 1 ATOM 3859 C C . ASP C 3 134 ? 75.018 -0.123 -36.035 1.00 70.95 ? 135 ASP C C 1 ATOM 3860 O O . ASP C 3 134 ? 75.169 1.099 -36.072 1.00 71.64 ? 135 ASP C O 1 ATOM 3861 C CB . ASP C 3 134 ? 75.088 -1.240 -38.292 1.00 78.51 ? 135 ASP C CB 1 ATOM 3862 C CG . ASP C 3 134 ? 73.899 -2.179 -38.171 1.00 76.13 ? 135 ASP C CG 1 ATOM 3863 O OD1 . ASP C 3 134 ? 72.790 -1.784 -38.581 1.00 75.90 ? 135 ASP C OD1 1 ATOM 3864 O OD2 . ASP C 3 134 ? 74.069 -3.312 -37.675 1.00 75.10 ? 135 ASP C OD2 1 ATOM 3865 N N . LYS C 3 135 ? 74.168 -0.731 -35.209 1.00 66.94 ? 136 LYS C N 1 ATOM 3866 C CA . LYS C 3 135 ? 73.366 -0.004 -34.228 1.00 63.00 ? 136 LYS C CA 1 ATOM 3867 C C . LYS C 3 135 ? 74.181 0.291 -32.969 1.00 60.69 ? 136 LYS C C 1 ATOM 3868 O O . LYS C 3 135 ? 74.915 -0.571 -32.481 1.00 60.38 ? 136 LYS C O 1 ATOM 3869 C CB . LYS C 3 135 ? 72.106 -0.799 -33.874 1.00 60.46 ? 136 LYS C CB 1 ATOM 3870 N N . SER C 3 136 ? 74.047 1.510 -32.448 1.00 59.50 ? 137 SER C N 1 ATOM 3871 C CA . SER C 3 136 ? 74.813 1.939 -31.278 1.00 57.86 ? 137 SER C CA 1 ATOM 3872 C C . SER C 3 136 ? 74.060 2.925 -30.384 1.00 55.45 ? 137 SER C C 1 ATOM 3873 O O . SER C 3 136 ? 73.071 3.533 -30.804 1.00 55.64 ? 137 SER C O 1 ATOM 3874 C CB . SER C 3 136 ? 76.151 2.545 -31.713 1.00 61.28 ? 137 SER C CB 1 ATOM 3875 O OG . SER C 3 136 ? 75.960 3.584 -32.656 1.00 64.16 ? 137 SER C OG 1 ATOM 3876 N N . VAL C 3 137 ? 74.537 3.061 -29.146 1.00 53.63 ? 138 VAL C N 1 ATOM 3877 C CA . VAL C 3 137 ? 74.037 4.068 -28.203 1.00 52.14 ? 138 VAL C CA 1 ATOM 3878 C C . VAL C 3 137 ? 75.188 4.898 -27.620 1.00 53.46 ? 138 VAL C C 1 ATOM 3879 O O . VAL C 3 137 ? 76.345 4.470 -27.645 1.00 54.67 ? 138 VAL C O 1 ATOM 3880 C CB . VAL C 3 137 ? 73.191 3.449 -27.039 1.00 48.71 ? 138 VAL C CB 1 ATOM 3881 C CG1 . VAL C 3 137 ? 71.899 2.816 -27.559 1.00 47.84 ? 138 VAL C CG1 1 ATOM 3882 C CG2 . VAL C 3 137 ? 74.002 2.448 -26.231 1.00 47.49 ? 138 VAL C CG2 1 ATOM 3883 N N . CYS C 3 138 ? 74.861 6.085 -27.110 1.00 53.77 ? 139 CYS C N 1 ATOM 3884 C CA . CYS C 3 138 ? 75.824 6.931 -26.406 1.00 55.24 ? 139 CYS C CA 1 ATOM 3885 C C . CYS C 3 138 ? 75.456 7.041 -24.928 1.00 52.70 ? 139 CYS C C 1 ATOM 3886 O O . CYS C 3 138 ? 74.332 7.422 -24.581 1.00 51.65 ? 139 CYS C O 1 ATOM 3887 C CB . CYS C 3 138 ? 75.896 8.322 -27.032 1.00 58.56 ? 139 CYS C CB 1 ATOM 3888 S SG . CYS C 3 138 ? 76.171 8.310 -28.811 1.00 63.53 ? 139 CYS C SG 1 ATOM 3889 N N . LEU C 3 139 ? 76.412 6.709 -24.066 1.00 52.29 ? 140 LEU C N 1 ATOM 3890 C CA . LEU C 3 139 ? 76.187 6.698 -22.628 1.00 50.23 ? 140 LEU C CA 1 ATOM 3891 C C . LEU C 3 139 ? 76.928 7.831 -21.926 1.00 52.06 ? 140 LEU C C 1 ATOM 3892 O O . LEU C 3 139 ? 78.159 7.836 -21.871 1.00 54.00 ? 140 LEU C O 1 ATOM 3893 C CB . LEU C 3 139 ? 76.608 5.345 -22.043 1.00 48.66 ? 140 LEU C CB 1 ATOM 3894 C CG . LEU C 3 139 ? 76.389 5.063 -20.554 1.00 46.87 ? 140 LEU C CG 1 ATOM 3895 C CD1 . LEU C 3 139 ? 74.934 4.730 -20.255 1.00 44.57 ? 140 LEU C CD1 1 ATOM 3896 C CD2 . LEU C 3 139 ? 77.282 3.924 -20.126 1.00 46.87 ? 140 LEU C CD2 1 ATOM 3897 N N . PHE C 3 140 ? 76.170 8.793 -21.403 1.00 52.05 ? 141 PHE C N 1 ATOM 3898 C CA . PHE C 3 140 ? 76.717 9.833 -20.535 1.00 53.82 ? 141 PHE C CA 1 ATOM 3899 C C . PHE C 3 140 ? 76.672 9.286 -19.116 1.00 51.90 ? 141 PHE C C 1 ATOM 3900 O O . PHE C 3 140 ? 75.604 8.924 -18.623 1.00 49.91 ? 141 PHE C O 1 ATOM 3901 C CB . PHE C 3 140 ? 75.898 11.125 -20.665 1.00 55.52 ? 141 PHE C CB 1 ATOM 3902 C CG . PHE C 3 140 ? 76.426 12.287 -19.853 1.00 58.06 ? 141 PHE C CG 1 ATOM 3903 C CD1 . PHE C 3 140 ? 77.792 12.457 -19.636 1.00 59.94 ? 141 PHE C CD1 1 ATOM 3904 C CD2 . PHE C 3 140 ? 75.548 13.236 -19.337 1.00 59.33 ? 141 PHE C CD2 1 ATOM 3905 C CE1 . PHE C 3 140 ? 78.268 13.537 -18.895 1.00 62.76 ? 141 PHE C CE1 1 ATOM 3906 C CE2 . PHE C 3 140 ? 76.015 14.324 -18.599 1.00 61.90 ? 141 PHE C CE2 1 ATOM 3907 C CZ . PHE C 3 140 ? 77.377 14.472 -18.376 1.00 63.71 ? 141 PHE C CZ 1 ATOM 3908 N N . THR C 3 141 ? 77.831 9.211 -18.466 1.00 52.94 ? 142 THR C N 1 ATOM 3909 C CA . THR C 3 141 ? 77.922 8.547 -17.163 1.00 51.58 ? 142 THR C CA 1 ATOM 3910 C C . THR C 3 141 ? 78.924 9.175 -16.186 1.00 53.87 ? 142 THR C C 1 ATOM 3911 O O . THR C 3 141 ? 79.801 9.947 -16.586 1.00 56.70 ? 142 THR C O 1 ATOM 3912 C CB . THR C 3 141 ? 78.217 7.030 -17.327 1.00 49.97 ? 142 THR C CB 1 ATOM 3913 O OG1 . THR C 3 141 ? 78.176 6.385 -16.049 1.00 49.14 ? 142 THR C OG1 1 ATOM 3914 C CG2 . THR C 3 141 ? 79.580 6.801 -17.958 1.00 51.98 ? 142 THR C CG2 1 ATOM 3915 N N . ASP C 3 142 ? 78.760 8.836 -14.906 1.00 53.05 ? 143 ASP C N 1 ATOM 3916 C CA . ASP C 3 142 ? 79.660 9.238 -13.812 1.00 55.20 ? 143 ASP C CA 1 ATOM 3917 C C . ASP C 3 142 ? 79.706 10.744 -13.525 1.00 57.83 ? 143 ASP C C 1 ATOM 3918 O O . ASP C 3 142 ? 80.701 11.258 -13.012 1.00 60.59 ? 143 ASP C O 1 ATOM 3919 C CB . ASP C 3 142 ? 81.073 8.654 -14.004 1.00 56.71 ? 143 ASP C CB 1 ATOM 3920 C CG . ASP C 3 142 ? 81.098 7.129 -13.934 1.00 55.14 ? 143 ASP C CG 1 ATOM 3921 O OD1 . ASP C 3 142 ? 80.017 6.509 -13.846 1.00 52.53 ? 143 ASP C OD1 1 ATOM 3922 O OD2 . ASP C 3 142 ? 82.206 6.547 -13.966 1.00 57.07 ? 143 ASP C OD2 1 ATOM 3923 N N . PHE C 3 143 ? 78.614 11.439 -13.835 1.00 57.45 ? 144 PHE C N 1 ATOM 3924 C CA . PHE C 3 143 ? 78.484 12.865 -13.527 1.00 60.32 ? 144 PHE C CA 1 ATOM 3925 C C . PHE C 3 143 ? 77.819 13.104 -12.165 1.00 60.65 ? 144 PHE C C 1 ATOM 3926 O O . PHE C 3 143 ? 77.203 12.194 -11.602 1.00 58.25 ? 144 PHE C O 1 ATOM 3927 C CB . PHE C 3 143 ? 77.728 13.597 -14.645 1.00 60.89 ? 144 PHE C CB 1 ATOM 3928 C CG . PHE C 3 143 ? 76.375 13.013 -14.961 1.00 57.73 ? 144 PHE C CG 1 ATOM 3929 C CD1 . PHE C 3 143 ? 75.235 13.467 -14.306 1.00 57.81 ? 144 PHE C CD1 1 ATOM 3930 C CD2 . PHE C 3 143 ? 76.238 12.025 -15.932 1.00 55.29 ? 144 PHE C CD2 1 ATOM 3931 C CE1 . PHE C 3 143 ? 73.982 12.939 -14.600 1.00 55.76 ? 144 PHE C CE1 1 ATOM 3932 C CE2 . PHE C 3 143 ? 74.986 11.486 -16.233 1.00 53.11 ? 144 PHE C CE2 1 ATOM 3933 C CZ . PHE C 3 143 ? 73.857 11.944 -15.566 1.00 53.22 ? 144 PHE C CZ 1 ATOM 3934 N N . ASP C 3 144 ? 77.954 14.326 -11.647 1.00 64.11 ? 145 ASP C N 1 ATOM 3935 C CA . ASP C 3 144 ? 77.387 14.712 -10.350 1.00 65.47 ? 145 ASP C CA 1 ATOM 3936 C C . ASP C 3 144 ? 75.958 15.241 -10.500 1.00 65.71 ? 145 ASP C C 1 ATOM 3937 O O . ASP C 3 144 ? 75.205 14.761 -11.346 1.00 63.31 ? 145 ASP C O 1 ATOM 3938 C CB . ASP C 3 144 ? 78.281 15.751 -9.665 1.00 69.77 ? 145 ASP C CB 1 ATOM 3939 N N . SER C 3 145 ? 75.589 16.222 -9.677 1.00 69.20 ? 146 SER C N 1 ATOM 3940 C CA . SER C 3 145 ? 74.275 16.867 -9.763 1.00 70.62 ? 146 SER C CA 1 ATOM 3941 C C . SER C 3 145 ? 74.194 17.818 -10.967 1.00 72.69 ? 146 SER C C 1 ATOM 3942 O O . SER C 3 145 ? 74.255 19.044 -10.823 1.00 76.99 ? 146 SER C O 1 ATOM 3943 C CB . SER C 3 145 ? 73.950 17.598 -8.459 1.00 74.33 ? 146 SER C CB 1 ATOM 3944 O OG . SER C 3 145 ? 74.936 18.574 -8.163 1.00 78.21 ? 146 SER C OG 1 ATOM 3945 N N . GLN C 3 146 ? 74.067 17.228 -12.153 1.00 70.02 ? 147 GLN C N 1 ATOM 3946 C CA . GLN C 3 146 ? 73.972 17.966 -13.409 1.00 71.89 ? 147 GLN C CA 1 ATOM 3947 C C . GLN C 3 146 ? 72.662 17.622 -14.107 1.00 70.26 ? 147 GLN C C 1 ATOM 3948 O O . GLN C 3 146 ? 72.287 16.450 -14.193 1.00 66.40 ? 147 GLN C O 1 ATOM 3949 C CB . GLN C 3 146 ? 75.156 17.621 -14.318 1.00 70.95 ? 147 GLN C CB 1 ATOM 3950 N N . THR C 3 147 ? 71.965 18.644 -14.595 1.00 73.74 ? 148 THR C N 1 ATOM 3951 C CA . THR C 3 147 ? 70.711 18.438 -15.314 1.00 73.11 ? 148 THR C CA 1 ATOM 3952 C C . THR C 3 147 ? 70.964 18.423 -16.820 1.00 73.08 ? 148 THR C C 1 ATOM 3953 O O . THR C 3 147 ? 71.410 19.423 -17.393 1.00 76.92 ? 148 THR C O 1 ATOM 3954 C CB . THR C 3 147 ? 69.652 19.517 -14.971 1.00 77.62 ? 148 THR C CB 1 ATOM 3955 O OG1 . THR C 3 147 ? 69.681 19.802 -13.567 1.00 79.04 ? 148 THR C OG1 1 ATOM 3956 C CG2 . THR C 3 147 ? 68.250 19.048 -15.361 1.00 76.56 ? 148 THR C CG2 1 ATOM 3957 N N . ASN C 3 148 ? 70.692 17.281 -17.448 1.00 69.24 ? 149 ASN C N 1 ATOM 3958 C CA . ASN C 3 148 ? 70.779 17.159 -18.901 1.00 69.34 ? 149 ASN C CA 1 ATOM 3959 C C . ASN C 3 148 ? 69.406 17.190 -19.578 1.00 70.10 ? 149 ASN C C 1 ATOM 3960 O O . ASN C 3 148 ? 68.490 16.458 -19.191 1.00 67.70 ? 149 ASN C O 1 ATOM 3961 C CB . ASN C 3 148 ? 71.590 15.924 -19.320 1.00 65.57 ? 149 ASN C CB 1 ATOM 3962 C CG . ASN C 3 148 ? 70.920 14.617 -18.945 1.00 61.49 ? 149 ASN C CG 1 ATOM 3963 O OD1 . ASN C 3 148 ? 70.383 13.916 -19.804 1.00 59.90 ? 149 ASN C OD1 1 ATOM 3964 N ND2 . ASN C 3 148 ? 70.952 14.279 -17.660 1.00 60.27 ? 149 ASN C ND2 1 ATOM 3965 N N . VAL C 3 149 ? 69.278 18.051 -20.585 1.00 73.88 ? 150 VAL C N 1 ATOM 3966 C CA . VAL C 3 149 ? 68.006 18.285 -21.268 1.00 75.88 ? 150 VAL C CA 1 ATOM 3967 C C . VAL C 3 149 ? 67.629 17.142 -22.216 1.00 72.71 ? 150 VAL C C 1 ATOM 3968 O O . VAL C 3 149 ? 68.391 16.189 -22.386 1.00 69.17 ? 150 VAL C O 1 ATOM 3969 C CB . VAL C 3 149 ? 68.028 19.623 -22.041 1.00 81.72 ? 150 VAL C CB 1 ATOM 3970 N N . SER C 3 150 ? 66.447 17.247 -22.821 1.00 74.55 ? 151 SER C N 1 ATOM 3971 C CA . SER C 3 150 ? 65.972 16.261 -23.787 1.00 72.45 ? 151 SER C CA 1 ATOM 3972 C C . SER C 3 150 ? 65.892 16.864 -25.188 1.00 76.27 ? 151 SER C C 1 ATOM 3973 O O . SER C 3 150 ? 66.868 17.423 -25.692 1.00 78.25 ? 151 SER C O 1 ATOM 3974 C CB . SER C 3 150 ? 64.608 15.710 -23.367 1.00 71.50 ? 151 SER C CB 1 ATOM 3975 O OG . SER C 3 150 ? 64.308 14.511 -24.062 1.00 68.75 ? 151 SER C OG 1 ATOM 3976 N N . ASP C 3 154 ? 66.905 17.713 -32.130 1.00 92.49 ? 155 ASP C N 1 ATOM 3977 C CA . ASP C 3 154 ? 66.068 17.171 -33.199 1.00 93.56 ? 155 ASP C CA 1 ATOM 3978 C C . ASP C 3 154 ? 64.933 16.306 -32.651 1.00 89.55 ? 155 ASP C C 1 ATOM 3979 O O . ASP C 3 154 ? 65.026 15.768 -31.544 1.00 84.85 ? 155 ASP C O 1 ATOM 3980 C CB . ASP C 3 154 ? 66.913 16.375 -34.199 1.00 92.97 ? 155 ASP C CB 1 ATOM 3981 N N . SER C 3 155 ? 63.867 16.179 -33.439 1.00 91.98 ? 156 SER C N 1 ATOM 3982 C CA . SER C 3 155 ? 62.681 15.412 -33.054 1.00 89.41 ? 156 SER C CA 1 ATOM 3983 C C . SER C 3 155 ? 62.928 13.903 -33.069 1.00 84.00 ? 156 SER C C 1 ATOM 3984 O O . SER C 3 155 ? 62.236 13.151 -32.380 1.00 80.77 ? 156 SER C O 1 ATOM 3985 C CB . SER C 3 155 ? 61.505 15.764 -33.974 1.00 94.55 ? 156 SER C CB 1 ATOM 3986 O OG . SER C 3 155 ? 60.336 15.045 -33.620 1.00 92.88 ? 156 SER C OG 1 ATOM 3987 N N . ASP C 3 156 ? 63.916 13.476 -33.854 1.00 83.64 ? 157 ASP C N 1 ATOM 3988 C CA . ASP C 3 156 ? 64.233 12.059 -34.028 1.00 79.54 ? 157 ASP C CA 1 ATOM 3989 C C . ASP C 3 156 ? 65.404 11.591 -33.150 1.00 75.22 ? 157 ASP C C 1 ATOM 3990 O O . ASP C 3 156 ? 65.970 10.515 -33.375 1.00 72.75 ? 157 ASP C O 1 ATOM 3991 C CB . ASP C 3 156 ? 64.509 11.757 -35.507 1.00 82.54 ? 157 ASP C CB 1 ATOM 3992 N N . VAL C 3 157 ? 65.755 12.398 -32.149 1.00 74.75 ? 158 VAL C N 1 ATOM 3993 C CA . VAL C 3 157 ? 66.816 12.048 -31.199 1.00 71.07 ? 158 VAL C CA 1 ATOM 3994 C C . VAL C 3 157 ? 66.222 11.780 -29.815 1.00 67.57 ? 158 VAL C C 1 ATOM 3995 O O . VAL C 3 157 ? 65.543 12.640 -29.243 1.00 69.24 ? 158 VAL C O 1 ATOM 3996 C CB . VAL C 3 157 ? 67.909 13.149 -31.113 1.00 73.74 ? 158 VAL C CB 1 ATOM 3997 C CG1 . VAL C 3 157 ? 69.014 12.743 -30.140 1.00 70.32 ? 158 VAL C CG1 1 ATOM 3998 C CG2 . VAL C 3 157 ? 68.498 13.433 -32.489 1.00 77.93 ? 158 VAL C CG2 1 ATOM 3999 N N . TYR C 3 158 ? 66.487 10.585 -29.287 1.00 63.26 ? 159 TYR C N 1 ATOM 4000 C CA . TYR C 3 158 ? 65.926 10.147 -28.008 1.00 60.12 ? 159 TYR C CA 1 ATOM 4001 C C . TYR C 3 158 ? 66.968 10.148 -26.891 1.00 57.80 ? 159 TYR C C 1 ATOM 4002 O O . TYR C 3 158 ? 68.014 9.502 -27.004 1.00 56.14 ? 159 TYR C O 1 ATOM 4003 C CB . TYR C 3 158 ? 65.291 8.760 -28.147 1.00 57.72 ? 159 TYR C CB 1 ATOM 4004 C CG . TYR C 3 158 ? 64.288 8.658 -29.273 1.00 60.23 ? 159 TYR C CG 1 ATOM 4005 C CD1 . TYR C 3 158 ? 63.013 9.211 -29.150 1.00 62.94 ? 159 TYR C CD1 1 ATOM 4006 C CD2 . TYR C 3 158 ? 64.612 8.014 -30.464 1.00 60.97 ? 159 TYR C CD2 1 ATOM 4007 C CE1 . TYR C 3 158 ? 62.085 9.126 -30.189 1.00 65.79 ? 159 TYR C CE1 1 ATOM 4008 C CE2 . TYR C 3 158 ? 63.693 7.921 -31.508 1.00 63.84 ? 159 TYR C CE2 1 ATOM 4009 C CZ . TYR C 3 158 ? 62.433 8.478 -31.363 1.00 66.10 ? 159 TYR C CZ 1 ATOM 4010 O OH . TYR C 3 158 ? 61.521 8.390 -32.390 1.00 69.17 ? 159 TYR C OH 1 ATOM 4011 N N . ILE C 3 159 ? 66.668 10.888 -25.822 1.00 58.09 ? 160 ILE C N 1 ATOM 4012 C CA . ILE C 3 159 ? 67.546 11.012 -24.654 1.00 56.50 ? 160 ILE C CA 1 ATOM 4013 C C . ILE C 3 159 ? 66.758 10.765 -23.367 1.00 55.00 ? 160 ILE C C 1 ATOM 4014 O O . ILE C 3 159 ? 65.801 11.485 -23.067 1.00 57.08 ? 160 ILE C O 1 ATOM 4015 C CB . ILE C 3 159 ? 68.222 12.414 -24.575 1.00 59.70 ? 160 ILE C CB 1 ATOM 4016 C CG1 . ILE C 3 159 ? 69.071 12.690 -25.822 1.00 61.78 ? 160 ILE C CG1 1 ATOM 4017 C CG2 . ILE C 3 159 ? 69.074 12.536 -23.304 1.00 58.41 ? 160 ILE C CG2 1 ATOM 4018 C CD1 . ILE C 3 159 ? 69.502 14.134 -25.974 1.00 65.78 ? 160 ILE C CD1 1 ATOM 4019 N N . THR C 3 160 ? 67.177 9.751 -22.612 1.00 51.98 ? 161 THR C N 1 ATOM 4020 C CA . THR C 3 160 ? 66.542 9.398 -21.340 1.00 50.89 ? 161 THR C CA 1 ATOM 4021 C C . THR C 3 160 ? 66.924 10.381 -20.239 1.00 52.25 ? 161 THR C C 1 ATOM 4022 O O . THR C 3 160 ? 67.945 11.061 -20.333 1.00 53.17 ? 161 THR C O 1 ATOM 4023 C CB . THR C 3 160 ? 66.932 7.977 -20.878 1.00 47.77 ? 161 THR C CB 1 ATOM 4024 O OG1 . THR C 3 160 ? 68.341 7.926 -20.608 1.00 47.00 ? 161 THR C OG1 1 ATOM 4025 C CG2 . THR C 3 160 ? 66.576 6.947 -21.938 1.00 46.77 ? 161 THR C CG2 1 ATOM 4026 N N . ASP C 3 161 ? 66.100 10.444 -19.195 1.00 52.93 ? 162 ASP C N 1 ATOM 4027 C CA . ASP C 3 161 ? 66.411 11.254 -18.021 1.00 54.64 ? 162 ASP C CA 1 ATOM 4028 C C . ASP C 3 161 ? 67.456 10.546 -17.153 1.00 52.32 ? 162 ASP C C 1 ATOM 4029 O O . ASP C 3 161 ? 67.653 9.334 -17.278 1.00 49.72 ? 162 ASP C O 1 ATOM 4030 C CB . ASP C 3 161 ? 65.142 11.552 -17.216 1.00 56.73 ? 162 ASP C CB 1 ATOM 4031 C CG . ASP C 3 161 ? 65.201 12.897 -16.504 1.00 60.77 ? 162 ASP C CG 1 ATOM 4032 O OD1 . ASP C 3 161 ? 66.315 13.436 -16.312 1.00 61.49 ? 162 ASP C OD1 1 ATOM 4033 O OD2 . ASP C 3 161 ? 64.127 13.422 -16.139 1.00 64.39 ? 162 ASP C OD2 1 ATOM 4034 N N . LYS C 3 162 ? 68.125 11.299 -16.280 1.00 53.76 ? 163 LYS C N 1 ATOM 4035 C CA . LYS C 3 162 ? 69.182 10.728 -15.441 1.00 52.39 ? 163 LYS C CA 1 ATOM 4036 C C . LYS C 3 162 ? 68.660 9.629 -14.517 1.00 50.97 ? 163 LYS C C 1 ATOM 4037 O O . LYS C 3 162 ? 67.492 9.626 -14.123 1.00 51.96 ? 163 LYS C O 1 ATOM 4038 C CB . LYS C 3 162 ? 69.934 11.806 -14.648 1.00 54.68 ? 163 LYS C CB 1 ATOM 4039 C CG . LYS C 3 162 ? 69.129 12.519 -13.574 1.00 57.40 ? 163 LYS C CG 1 ATOM 4040 C CD . LYS C 3 162 ? 70.014 13.493 -12.812 1.00 60.05 ? 163 LYS C CD 1 ATOM 4041 C CE . LYS C 3 162 ? 69.197 14.572 -12.127 1.00 64.01 ? 163 LYS C CE 1 ATOM 4042 N NZ . LYS C 3 162 ? 70.069 15.696 -11.683 1.00 67.56 ? 163 LYS C NZ 1 ATOM 4043 N N . CYS C 3 163 ? 69.542 8.694 -14.189 1.00 49.25 ? 164 CYS C N 1 ATOM 4044 C CA . CYS C 3 163 ? 69.179 7.520 -13.418 1.00 48.29 ? 164 CYS C CA 1 ATOM 4045 C C . CYS C 3 163 ? 70.401 7.034 -12.651 1.00 47.61 ? 164 CYS C C 1 ATOM 4046 O O . CYS C 3 163 ? 71.504 6.980 -13.202 1.00 47.12 ? 164 CYS C O 1 ATOM 4047 C CB . CYS C 3 163 ? 68.662 6.434 -14.361 1.00 46.61 ? 164 CYS C CB 1 ATOM 4048 S SG . CYS C 3 163 ? 68.135 4.921 -13.552 1.00 47.65 ? 164 CYS C SG 1 ATOM 4049 N N . VAL C 3 164 ? 70.201 6.678 -11.384 1.00 48.11 ? 165 VAL C N 1 ATOM 4050 C CA . VAL C 3 164 ? 71.306 6.297 -10.502 1.00 48.19 ? 165 VAL C CA 1 ATOM 4051 C C . VAL C 3 164 ? 71.316 4.803 -10.129 1.00 47.33 ? 165 VAL C C 1 ATOM 4052 O O . VAL C 3 164 ? 70.322 4.262 -9.630 1.00 47.78 ? 165 VAL C O 1 ATOM 4053 C CB . VAL C 3 164 ? 71.350 7.197 -9.237 1.00 50.76 ? 165 VAL C CB 1 ATOM 4054 C CG1 . VAL C 3 164 ? 70.042 7.101 -8.436 1.00 52.10 ? 165 VAL C CG1 1 ATOM 4055 C CG2 . VAL C 3 164 ? 72.567 6.882 -8.372 1.00 51.36 ? 165 VAL C CG2 1 ATOM 4056 N N . LEU C 3 165 ? 72.449 4.149 -10.385 1.00 46.52 ? 166 LEU C N 1 ATOM 4057 C CA . LEU C 3 165 ? 72.648 2.750 -10.002 1.00 46.39 ? 166 LEU C CA 1 ATOM 4058 C C . LEU C 3 165 ? 73.606 2.621 -8.818 1.00 48.21 ? 166 LEU C C 1 ATOM 4059 O O . LEU C 3 165 ? 74.534 3.418 -8.672 1.00 49.09 ? 166 LEU C O 1 ATOM 4060 C CB . LEU C 3 165 ? 73.138 1.912 -11.193 1.00 44.98 ? 166 LEU C CB 1 ATOM 4061 C CG . LEU C 3 165 ? 74.419 2.269 -11.956 1.00 44.97 ? 166 LEU C CG 1 ATOM 4062 C CD1 . LEU C 3 165 ? 75.662 1.707 -11.280 1.00 46.61 ? 166 LEU C CD1 1 ATOM 4063 C CD2 . LEU C 3 165 ? 74.328 1.748 -13.378 1.00 43.74 ? 166 LEU C CD2 1 ATOM 4064 N N . ASP C 3 166 ? 73.369 1.613 -7.982 1.00 49.16 ? 167 ASP C N 1 ATOM 4065 C CA . ASP C 3 166 ? 74.200 1.351 -6.815 1.00 51.35 ? 167 ASP C CA 1 ATOM 4066 C C . ASP C 3 166 ? 74.828 -0.033 -6.930 1.00 51.83 ? 167 ASP C C 1 ATOM 4067 O O . ASP C 3 166 ? 74.122 -1.039 -7.021 1.00 51.80 ? 167 ASP C O 1 ATOM 4068 C CB . ASP C 3 166 ? 73.365 1.466 -5.529 1.00 53.50 ? 167 ASP C CB 1 ATOM 4069 C CG . ASP C 3 166 ? 74.187 1.253 -4.252 1.00 56.52 ? 167 ASP C CG 1 ATOM 4070 O OD1 . ASP C 3 166 ? 75.435 1.315 -4.298 1.00 56.97 ? 167 ASP C OD1 1 ATOM 4071 O OD2 . ASP C 3 166 ? 73.570 1.035 -3.186 1.00 58.87 ? 167 ASP C OD2 1 ATOM 4072 N N . MET C 3 167 ? 76.157 -0.070 -6.943 1.00 52.77 ? 168 MET C N 1 ATOM 4073 C CA . MET C 3 167 ? 76.894 -1.325 -6.894 1.00 54.26 ? 168 MET C CA 1 ATOM 4074 C C . MET C 3 167 ? 77.126 -1.674 -5.430 1.00 57.64 ? 168 MET C C 1 ATOM 4075 O O . MET C 3 167 ? 78.196 -1.418 -4.871 1.00 59.65 ? 168 MET C O 1 ATOM 4076 C CB . MET C 3 167 ? 78.214 -1.218 -7.650 1.00 54.43 ? 168 MET C CB 1 ATOM 4077 C CG . MET C 3 167 ? 78.081 -0.767 -9.089 1.00 51.73 ? 168 MET C CG 1 ATOM 4078 S SD . MET C 3 167 ? 79.498 -1.297 -10.062 1.00 53.60 ? 168 MET C SD 1 ATOM 4079 C CE . MET C 3 167 ? 79.724 0.131 -11.095 1.00 51.96 ? 168 MET C CE 1 ATOM 4080 N N . ARG C 3 168 ? 76.098 -2.266 -4.829 1.00 58.65 ? 169 ARG C N 1 ATOM 4081 C CA . ARG C 3 168 ? 76.005 -2.482 -3.383 1.00 62.31 ? 169 ARG C CA 1 ATOM 4082 C C . ARG C 3 168 ? 77.266 -3.038 -2.717 1.00 65.59 ? 169 ARG C C 1 ATOM 4083 O O . ARG C 3 168 ? 77.723 -2.493 -1.708 1.00 67.96 ? 169 ARG C O 1 ATOM 4084 C CB . ARG C 3 168 ? 74.785 -3.351 -3.057 1.00 63.37 ? 169 ARG C CB 1 ATOM 4085 C CG . ARG C 3 168 ? 73.475 -2.729 -3.518 1.00 61.80 ? 169 ARG C CG 1 ATOM 4086 C CD . ARG C 3 168 ? 72.267 -3.587 -3.187 1.00 64.75 ? 169 ARG C CD 1 ATOM 4087 N NE . ARG C 3 168 ? 71.022 -2.861 -3.441 1.00 64.58 ? 169 ARG C NE 1 ATOM 4088 C CZ . ARG C 3 168 ? 70.420 -2.060 -2.561 1.00 67.06 ? 169 ARG C CZ 1 ATOM 4089 N NH1 . ARG C 3 168 ? 70.935 -1.869 -1.349 1.00 70.03 ? 169 ARG C NH1 1 ATOM 4090 N NH2 . ARG C 3 168 ? 69.292 -1.445 -2.891 1.00 66.54 ? 169 ARG C NH2 1 ATOM 4091 N N . SER C 3 169 ? 77.827 -4.104 -3.287 1.00 66.16 ? 170 SER C N 1 ATOM 4092 C CA . SER C 3 169 ? 78.990 -4.779 -2.698 1.00 70.02 ? 170 SER C CA 1 ATOM 4093 C C . SER C 3 169 ? 80.301 -3.991 -2.836 1.00 70.43 ? 170 SER C C 1 ATOM 4094 O O . SER C 3 169 ? 81.262 -4.245 -2.105 1.00 74.11 ? 170 SER C O 1 ATOM 4095 C CB . SER C 3 169 ? 79.139 -6.198 -3.260 1.00 71.23 ? 170 SER C CB 1 ATOM 4096 O OG . SER C 3 169 ? 79.188 -6.193 -4.674 1.00 68.21 ? 170 SER C OG 1 ATOM 4097 N N . MET C 3 170 ? 80.327 -3.038 -3.767 1.00 67.13 ? 171 MET C N 1 ATOM 4098 C CA . MET C 3 170 ? 81.475 -2.148 -3.949 1.00 67.71 ? 171 MET C CA 1 ATOM 4099 C C . MET C 3 170 ? 81.287 -0.806 -3.242 1.00 67.59 ? 171 MET C C 1 ATOM 4100 O O . MET C 3 170 ? 82.253 -0.064 -3.054 1.00 69.26 ? 171 MET C O 1 ATOM 4101 C CB . MET C 3 170 ? 81.737 -1.904 -5.437 1.00 65.10 ? 171 MET C CB 1 ATOM 4102 C CG . MET C 3 170 ? 82.643 -2.926 -6.098 1.00 67.38 ? 171 MET C CG 1 ATOM 4103 S SD . MET C 3 170 ? 83.127 -2.407 -7.761 1.00 66.61 ? 171 MET C SD 1 ATOM 4104 C CE . MET C 3 170 ? 84.337 -3.666 -8.177 1.00 70.37 ? 171 MET C CE 1 ATOM 4105 N N . ASP C 3 171 ? 80.043 -0.510 -2.861 1.00 66.19 ? 172 ASP C N 1 ATOM 4106 C CA . ASP C 3 171 ? 79.645 0.776 -2.255 1.00 66.19 ? 172 ASP C CA 1 ATOM 4107 C C . ASP C 3 171 ? 79.847 1.969 -3.207 1.00 63.75 ? 172 ASP C C 1 ATOM 4108 O O . ASP C 3 171 ? 80.173 3.081 -2.782 1.00 65.01 ? 172 ASP C O 1 ATOM 4109 C CB . ASP C 3 171 ? 80.339 0.999 -0.899 1.00 70.46 ? 172 ASP C CB 1 ATOM 4110 C CG . ASP C 3 171 ? 79.593 1.986 -0.004 1.00 71.75 ? 172 ASP C CG 1 ATOM 4111 O OD1 . ASP C 3 171 ? 78.426 2.328 -0.305 1.00 69.74 ? 172 ASP C OD1 1 ATOM 4112 O OD2 . ASP C 3 171 ? 80.183 2.420 1.009 1.00 75.38 ? 172 ASP C OD2 1 ATOM 4113 N N . PHE C 3 172 ? 79.626 1.722 -4.495 1.00 60.61 ? 173 PHE C N 1 ATOM 4114 C CA . PHE C 3 172 ? 79.811 2.732 -5.528 1.00 58.73 ? 173 PHE C CA 1 ATOM 4115 C C . PHE C 3 172 ? 78.488 3.086 -6.197 1.00 55.70 ? 173 PHE C C 1 ATOM 4116 O O . PHE C 3 172 ? 77.740 2.202 -6.615 1.00 53.98 ? 173 PHE C O 1 ATOM 4117 C CB . PHE C 3 172 ? 80.821 2.239 -6.571 1.00 58.64 ? 173 PHE C CB 1 ATOM 4118 C CG . PHE C 3 172 ? 81.076 3.217 -7.686 1.00 57.61 ? 173 PHE C CG 1 ATOM 4119 C CD1 . PHE C 3 172 ? 81.928 4.304 -7.498 1.00 59.77 ? 173 PHE C CD1 1 ATOM 4120 C CD2 . PHE C 3 172 ? 80.468 3.049 -8.928 1.00 55.13 ? 173 PHE C CD2 1 ATOM 4121 C CE1 . PHE C 3 172 ? 82.168 5.212 -8.528 1.00 59.37 ? 173 PHE C CE1 1 ATOM 4122 C CE2 . PHE C 3 172 ? 80.702 3.952 -9.966 1.00 54.64 ? 173 PHE C CE2 1 ATOM 4123 C CZ . PHE C 3 172 ? 81.555 5.035 -9.765 1.00 56.90 ? 173 PHE C CZ 1 ATOM 4124 N N . LYS C 3 173 ? 78.213 4.384 -6.294 1.00 55.46 ? 174 LYS C N 1 ATOM 4125 C CA . LYS C 3 173 ? 77.016 4.885 -6.967 1.00 53.29 ? 174 LYS C CA 1 ATOM 4126 C C . LYS C 3 173 ? 77.399 5.804 -8.118 1.00 52.55 ? 174 LYS C C 1 ATOM 4127 O O . LYS C 3 173 ? 78.372 6.560 -8.024 1.00 54.35 ? 174 LYS C O 1 ATOM 4128 C CB . LYS C 3 173 ? 76.096 5.624 -5.990 1.00 54.62 ? 174 LYS C CB 1 ATOM 4129 C CG . LYS C 3 173 ? 75.694 4.808 -4.774 1.00 56.25 ? 174 LYS C CG 1 ATOM 4130 C CD . LYS C 3 173 ? 74.630 5.500 -3.946 1.00 57.99 ? 174 LYS C CD 1 ATOM 4131 C CE . LYS C 3 173 ? 74.791 5.181 -2.465 1.00 61.88 ? 174 LYS C CE 1 ATOM 4132 N NZ . LYS C 3 173 ? 75.005 3.730 -2.189 1.00 62.38 ? 174 LYS C NZ 1 ATOM 4133 N N . SER C 3 174 ? 76.629 5.731 -9.201 1.00 50.37 ? 175 SER C N 1 ATOM 4134 C CA . SER C 3 174 ? 76.881 6.538 -10.392 1.00 49.98 ? 175 SER C CA 1 ATOM 4135 C C . SER C 3 174 ? 75.588 6.934 -11.089 1.00 48.54 ? 175 SER C C 1 ATOM 4136 O O . SER C 3 174 ? 74.595 6.205 -11.041 1.00 47.14 ? 175 SER C O 1 ATOM 4137 C CB . SER C 3 174 ? 77.775 5.784 -11.379 1.00 49.46 ? 175 SER C CB 1 ATOM 4138 O OG . SER C 3 174 ? 77.042 4.795 -12.087 1.00 47.54 ? 175 SER C OG 1 ATOM 4139 N N . ASN C 3 175 ? 75.621 8.097 -11.735 1.00 49.38 ? 176 ASN C N 1 ATOM 4140 C CA . ASN C 3 175 ? 74.535 8.552 -12.590 1.00 48.56 ? 176 ASN C CA 1 ATOM 4141 C C . ASN C 3 175 ? 74.817 8.209 -14.043 1.00 47.36 ? 176 ASN C C 1 ATOM 4142 O O . ASN C 3 175 ? 75.967 7.960 -14.418 1.00 47.82 ? 176 ASN C O 1 ATOM 4143 C CB . ASN C 3 175 ? 74.346 10.060 -12.447 1.00 51.03 ? 176 ASN C CB 1 ATOM 4144 C CG . ASN C 3 175 ? 73.577 10.436 -11.200 1.00 52.47 ? 176 ASN C CG 1 ATOM 4145 O OD1 . ASN C 3 175 ? 72.477 9.939 -10.960 1.00 51.95 ? 176 ASN C OD1 1 ATOM 4146 N ND2 . ASN C 3 175 ? 74.146 11.332 -10.405 1.00 55.23 ? 176 ASN C ND2 1 ATOM 4147 N N . SER C 3 176 ? 73.763 8.183 -14.855 1.00 46.27 ? 177 SER C N 1 ATOM 4148 C CA . SER C 3 176 ? 73.893 7.948 -16.292 1.00 45.57 ? 177 SER C CA 1 ATOM 4149 C C . SER C 3 176 ? 72.641 8.362 -17.065 1.00 45.52 ? 177 SER C C 1 ATOM 4150 O O . SER C 3 176 ? 71.538 8.406 -16.511 1.00 45.46 ? 177 SER C O 1 ATOM 4151 C CB . SER C 3 176 ? 74.243 6.481 -16.590 1.00 43.86 ? 177 SER C CB 1 ATOM 4152 O OG . SER C 3 176 ? 73.154 5.617 -16.330 1.00 42.01 ? 177 SER C OG 1 ATOM 4153 N N . ALA C 3 177 ? 72.833 8.679 -18.341 1.00 46.11 ? 178 ALA C N 1 ATOM 4154 C CA . ALA C 3 177 ? 71.732 8.886 -19.272 1.00 46.38 ? 178 ALA C CA 1 ATOM 4155 C C . ALA C 3 177 ? 72.083 8.251 -20.614 1.00 46.13 ? 178 ALA C C 1 ATOM 4156 O O . ALA C 3 177 ? 73.255 8.204 -21.005 1.00 46.86 ? 178 ALA C O 1 ATOM 4157 C CB . ALA C 3 177 ? 71.431 10.369 -19.434 1.00 49.19 ? 178 ALA C CB 1 ATOM 4158 N N . VAL C 3 178 ? 71.067 7.752 -21.311 1.00 45.45 ? 179 VAL C N 1 ATOM 4159 C CA . VAL C 3 178 ? 71.276 7.077 -22.587 1.00 45.47 ? 179 VAL C CA 1 ATOM 4160 C C . VAL C 3 178 ? 70.706 7.912 -23.723 1.00 47.60 ? 179 VAL C C 1 ATOM 4161 O O . VAL C 3 178 ? 69.605 8.454 -23.612 1.00 48.16 ? 179 VAL C O 1 ATOM 4162 C CB . VAL C 3 178 ? 70.666 5.643 -22.591 1.00 43.52 ? 179 VAL C CB 1 ATOM 4163 C CG1 . VAL C 3 178 ? 70.819 4.979 -23.958 1.00 44.09 ? 179 VAL C CG1 1 ATOM 4164 C CG2 . VAL C 3 178 ? 71.319 4.778 -21.525 1.00 41.86 ? 179 VAL C CG2 1 ATOM 4165 N N . ALA C 3 179 ? 71.476 8.020 -24.803 1.00 49.36 ? 180 ALA C N 1 ATOM 4166 C CA . ALA C 3 179 ? 71.049 8.718 -26.012 1.00 52.17 ? 180 ALA C CA 1 ATOM 4167 C C . ALA C 3 179 ? 71.280 7.860 -27.250 1.00 52.82 ? 180 ALA C C 1 ATOM 4168 O O . ALA C 3 179 ? 72.326 7.220 -27.391 1.00 52.71 ? 180 ALA C O 1 ATOM 4169 C CB . ALA C 3 179 ? 71.770 10.042 -26.148 1.00 55.19 ? 180 ALA C CB 1 ATOM 4170 N N . TRP C 3 180 ? 70.288 7.845 -28.135 1.00 54.04 ? 181 TRP C N 1 ATOM 4171 C CA . TRP C 3 180 ? 70.384 7.149 -29.415 1.00 55.35 ? 181 TRP C CA 1 ATOM 4172 C C . TRP C 3 180 ? 69.528 7.861 -30.458 1.00 58.67 ? 181 TRP C C 1 ATOM 4173 O O . TRP C 3 180 ? 68.549 8.531 -30.117 1.00 59.13 ? 181 TRP C O 1 ATOM 4174 C CB . TRP C 3 180 ? 69.977 5.674 -29.279 1.00 52.63 ? 181 TRP C CB 1 ATOM 4175 C CG . TRP C 3 180 ? 68.505 5.442 -29.076 1.00 51.17 ? 181 TRP C CG 1 ATOM 4176 C CD1 . TRP C 3 180 ? 67.591 5.105 -30.033 1.00 52.07 ? 181 TRP C CD1 1 ATOM 4177 C CD2 . TRP C 3 180 ? 67.781 5.520 -27.840 1.00 48.87 ? 181 TRP C CD2 1 ATOM 4178 N NE1 . TRP C 3 180 ? 66.343 4.974 -29.474 1.00 50.94 ? 181 TRP C NE1 1 ATOM 4179 C CE2 . TRP C 3 180 ? 66.429 5.224 -28.129 1.00 49.11 ? 181 TRP C CE2 1 ATOM 4180 C CE3 . TRP C 3 180 ? 68.140 5.816 -26.517 1.00 47.14 ? 181 TRP C CE3 1 ATOM 4181 C CZ2 . TRP C 3 180 ? 65.434 5.215 -27.143 1.00 48.10 ? 181 TRP C CZ2 1 ATOM 4182 C CZ3 . TRP C 3 180 ? 67.147 5.809 -25.534 1.00 45.83 ? 181 TRP C CZ3 1 ATOM 4183 C CH2 . TRP C 3 180 ? 65.812 5.509 -25.856 1.00 46.32 ? 181 TRP C CH2 1 ATOM 4184 N N . SER C 3 181 ? 69.911 7.725 -31.725 1.00 61.67 ? 182 SER C N 1 ATOM 4185 C CA . SER C 3 181 ? 69.158 8.308 -32.834 1.00 65.49 ? 182 SER C CA 1 ATOM 4186 C C . SER C 3 181 ? 69.332 7.482 -34.097 1.00 67.54 ? 182 SER C C 1 ATOM 4187 O O . SER C 3 181 ? 70.432 7.010 -34.395 1.00 68.16 ? 182 SER C O 1 ATOM 4188 C CB . SER C 3 181 ? 69.586 9.756 -33.091 1.00 69.28 ? 182 SER C CB 1 ATOM 4189 O OG . SER C 3 181 ? 68.856 10.324 -34.164 1.00 73.13 ? 182 SER C OG 1 ATOM 4190 N N . ASN C 3 182 ? 68.239 7.317 -34.834 1.00 69.27 ? 183 ASN C N 1 ATOM 4191 C CA . ASN C 3 182 ? 68.247 6.558 -36.079 1.00 71.79 ? 183 ASN C CA 1 ATOM 4192 C C . ASN C 3 182 ? 68.809 7.379 -37.239 1.00 77.13 ? 183 ASN C C 1 ATOM 4193 O O . ASN C 3 182 ? 69.320 6.823 -38.213 1.00 79.64 ? 183 ASN C O 1 ATOM 4194 C CB . ASN C 3 182 ? 66.836 6.064 -36.404 1.00 71.86 ? 183 ASN C CB 1 ATOM 4195 C CG . ASN C 3 182 ? 66.838 4.798 -37.234 1.00 72.69 ? 183 ASN C CG 1 ATOM 4196 O OD1 . ASN C 3 182 ? 67.116 4.825 -38.433 1.00 76.89 ? 183 ASN C OD1 1 ATOM 4197 N ND2 . ASN C 3 182 ? 66.512 3.676 -36.598 1.00 69.48 ? 183 ASN C ND2 1 ATOM 4198 N N . LYS C 3 183 ? 68.716 8.703 -37.114 1.00 79.40 ? 184 LYS C N 1 ATOM 4199 C CA . LYS C 3 183 ? 69.177 9.638 -38.141 1.00 85.19 ? 184 LYS C CA 1 ATOM 4200 C C . LYS C 3 183 ? 70.687 9.581 -38.376 1.00 86.83 ? 184 LYS C C 1 ATOM 4201 O O . LYS C 3 183 ? 71.467 9.409 -37.438 1.00 83.83 ? 184 LYS C O 1 ATOM 4202 C CB . LYS C 3 183 ? 68.765 11.069 -37.777 1.00 87.27 ? 184 LYS C CB 1 ATOM 4203 N N . SER C 3 184 ? 71.083 9.724 -39.640 1.00 92.26 ? 185 SER C N 1 ATOM 4204 C CA . SER C 3 184 ? 72.491 9.831 -40.022 1.00 95.44 ? 185 SER C CA 1 ATOM 4205 C C . SER C 3 184 ? 73.052 11.185 -39.590 1.00 97.82 ? 185 SER C C 1 ATOM 4206 O O . SER C 3 184 ? 72.291 12.128 -39.347 1.00 98.69 ? 185 SER C O 1 ATOM 4207 C CB . SER C 3 184 ? 72.652 9.648 -41.533 1.00 101.27 ? 185 SER C CB 1 ATOM 4208 N N . ASP C 3 185 ? 74.381 11.272 -39.505 1.00 99.48 ? 186 ASP C N 1 ATOM 4209 C CA . ASP C 3 185 ? 75.089 12.467 -39.012 1.00 101.80 ? 186 ASP C CA 1 ATOM 4210 C C . ASP C 3 185 ? 74.813 12.745 -37.526 1.00 96.60 ? 186 ASP C C 1 ATOM 4211 O O . ASP C 3 185 ? 74.828 13.897 -37.079 1.00 98.40 ? 186 ASP C O 1 ATOM 4212 C CB . ASP C 3 185 ? 74.792 13.701 -39.879 1.00 108.42 ? 186 ASP C CB 1 ATOM 4213 N N . PHE C 3 186 ? 74.562 11.675 -36.774 1.00 90.63 ? 187 PHE C N 1 ATOM 4214 C CA . PHE C 3 186 ? 74.410 11.747 -35.325 1.00 85.72 ? 187 PHE C CA 1 ATOM 4215 C C . PHE C 3 186 ? 75.541 10.975 -34.653 1.00 83.29 ? 187 PHE C C 1 ATOM 4216 O O . PHE C 3 186 ? 75.740 9.785 -34.917 1.00 81.72 ? 187 PHE C O 1 ATOM 4217 C CB . PHE C 3 186 ? 73.046 11.195 -34.890 1.00 81.30 ? 187 PHE C CB 1 ATOM 4218 C CG . PHE C 3 186 ? 72.928 10.951 -33.405 1.00 75.99 ? 187 PHE C CG 1 ATOM 4219 C CD1 . PHE C 3 186 ? 72.596 11.989 -32.539 1.00 75.86 ? 187 PHE C CD1 1 ATOM 4220 C CD2 . PHE C 3 186 ? 73.139 9.680 -32.876 1.00 71.65 ? 187 PHE C CD2 1 ATOM 4221 C CE1 . PHE C 3 186 ? 72.483 11.765 -31.166 1.00 71.72 ? 187 PHE C CE1 1 ATOM 4222 C CE2 . PHE C 3 186 ? 73.030 9.445 -31.506 1.00 67.36 ? 187 PHE C CE2 1 ATOM 4223 C CZ . PHE C 3 186 ? 72.700 10.489 -30.649 1.00 67.37 ? 187 PHE C CZ 1 ATOM 4224 N N . ALA C 3 187 ? 76.275 11.666 -33.786 1.00 83.48 ? 188 ALA C N 1 ATOM 4225 C CA . ALA C 3 187 ? 77.384 11.068 -33.051 1.00 81.73 ? 188 ALA C CA 1 ATOM 4226 C C . ALA C 3 187 ? 77.330 11.451 -31.576 1.00 78.41 ? 188 ALA C C 1 ATOM 4227 O O . ALA C 3 187 ? 76.603 12.373 -31.189 1.00 78.47 ? 188 ALA C O 1 ATOM 4228 C CB . ALA C 3 187 ? 78.716 11.484 -33.666 1.00 87.15 ? 188 ALA C CB 1 ATOM 4229 N N . CYS C 3 188 ? 78.111 10.743 -30.763 1.00 76.01 ? 189 CYS C N 1 ATOM 4230 C CA . CYS C 3 188 ? 78.133 10.948 -29.316 1.00 73.01 ? 189 CYS C CA 1 ATOM 4231 C C . CYS C 3 188 ? 78.739 12.289 -28.901 1.00 76.23 ? 189 CYS C C 1 ATOM 4232 O O . CYS C 3 188 ? 78.420 12.815 -27.831 1.00 74.60 ? 189 CYS C O 1 ATOM 4233 C CB . CYS C 3 188 ? 78.861 9.791 -28.628 1.00 70.36 ? 189 CYS C CB 1 ATOM 4234 S SG . CYS C 3 188 ? 78.202 8.146 -29.030 1.00 67.73 ? 189 CYS C SG 1 ATOM 4235 N N . ALA C 3 189 ? 79.603 12.838 -29.751 1.00 81.30 ? 190 ALA C N 1 ATOM 4236 C CA . ALA C 3 189 ? 80.198 14.155 -29.515 1.00 85.54 ? 190 ALA C CA 1 ATOM 4237 C C . ALA C 3 189 ? 79.156 15.272 -29.604 1.00 86.90 ? 190 ALA C C 1 ATOM 4238 O O . ALA C 3 189 ? 79.281 16.299 -28.934 1.00 88.77 ? 190 ALA C O 1 ATOM 4239 C CB . ALA C 3 189 ? 81.340 14.408 -30.492 1.00 91.41 ? 190 ALA C CB 1 ATOM 4240 N N . ASN C 3 190 ? 78.134 15.057 -30.432 1.00 86.38 ? 191 ASN C N 1 ATOM 4241 C CA . ASN C 3 190 ? 77.061 16.029 -30.635 1.00 88.13 ? 191 ASN C CA 1 ATOM 4242 C C . ASN C 3 190 ? 75.734 15.590 -30.011 1.00 83.17 ? 191 ASN C C 1 ATOM 4243 O O . ASN C 3 190 ? 74.669 16.095 -30.375 1.00 84.46 ? 191 ASN C O 1 ATOM 4244 C CB . ASN C 3 190 ? 76.880 16.303 -32.132 1.00 92.81 ? 191 ASN C CB 1 ATOM 4245 N N . ALA C 3 191 ? 75.804 14.660 -29.063 1.00 78.05 ? 192 ALA C N 1 ATOM 4246 C CA . ALA C 3 191 ? 74.602 14.066 -28.475 1.00 73.70 ? 192 ALA C CA 1 ATOM 4247 C C . ALA C 3 191 ? 74.044 14.858 -27.292 1.00 73.18 ? 192 ALA C C 1 ATOM 4248 O O . ALA C 3 191 ? 72.829 15.047 -27.182 1.00 72.67 ? 192 ALA C O 1 ATOM 4249 C CB . ALA C 3 191 ? 74.864 12.618 -28.074 1.00 69.07 ? 192 ALA C CB 1 ATOM 4250 N N . PHE C 3 192 ? 74.933 15.317 -26.415 1.00 73.79 ? 193 PHE C N 1 ATOM 4251 C CA . PHE C 3 192 ? 74.528 15.994 -25.184 1.00 73.34 ? 193 PHE C CA 1 ATOM 4252 C C . PHE C 3 192 ? 74.907 17.478 -25.151 1.00 78.65 ? 193 PHE C C 1 ATOM 4253 O O . PHE C 3 192 ? 74.884 18.103 -24.087 1.00 79.20 ? 193 PHE C O 1 ATOM 4254 C CB . PHE C 3 192 ? 75.105 15.266 -23.961 1.00 69.68 ? 193 PHE C CB 1 ATOM 4255 C CG . PHE C 3 192 ? 74.567 13.873 -23.767 1.00 64.83 ? 193 PHE C CG 1 ATOM 4256 C CD1 . PHE C 3 192 ? 75.243 12.771 -24.287 1.00 63.22 ? 193 PHE C CD1 1 ATOM 4257 C CD2 . PHE C 3 192 ? 73.389 13.660 -23.055 1.00 62.27 ? 193 PHE C CD2 1 ATOM 4258 C CE1 . PHE C 3 192 ? 74.748 11.478 -24.106 1.00 59.13 ? 193 PHE C CE1 1 ATOM 4259 C CE2 . PHE C 3 192 ? 72.888 12.370 -22.870 1.00 58.16 ? 193 PHE C CE2 1 ATOM 4260 C CZ . PHE C 3 192 ? 73.570 11.281 -23.394 1.00 56.58 ? 193 PHE C CZ 1 ATOM 4261 N N . ASN C 3 193 ? 75.246 18.043 -26.311 1.00 82.96 ? 194 ASN C N 1 ATOM 4262 C CA . ASN C 3 193 ? 75.551 19.475 -26.400 1.00 88.89 ? 194 ASN C CA 1 ATOM 4263 C C . ASN C 3 193 ? 74.308 20.360 -26.222 1.00 91.02 ? 194 ASN C C 1 ATOM 4264 O O . ASN C 3 193 ? 74.414 21.578 -26.055 1.00 96.05 ? 194 ASN C O 1 ATOM 4265 C CB . ASN C 3 193 ? 76.320 19.814 -27.691 1.00 93.74 ? 194 ASN C CB 1 ATOM 4266 C CG . ASN C 3 193 ? 75.561 19.442 -28.959 1.00 94.11 ? 194 ASN C CG 1 ATOM 4267 O OD1 . ASN C 3 193 ? 74.359 19.171 -28.936 1.00 91.89 ? 194 ASN C OD1 1 ATOM 4268 N ND2 . ASN C 3 193 ? 76.271 19.435 -30.081 1.00 97.34 ? 194 ASN C ND2 1 ATOM 4269 N N . ASN C 3 194 ? 73.139 19.722 -26.256 1.00 87.67 ? 195 ASN C N 1 ATOM 4270 C CA . ASN C 3 194 ? 71.863 20.354 -25.923 1.00 89.15 ? 195 ASN C CA 1 ATOM 4271 C C . ASN C 3 194 ? 71.665 20.421 -24.400 1.00 86.90 ? 195 ASN C C 1 ATOM 4272 O O . ASN C 3 194 ? 70.678 20.977 -23.908 1.00 88.46 ? 195 ASN C O 1 ATOM 4273 C CB . ASN C 3 194 ? 70.717 19.579 -26.587 1.00 86.94 ? 195 ASN C CB 1 ATOM 4274 C CG . ASN C 3 194 ? 69.420 20.374 -26.657 1.00 90.52 ? 195 ASN C CG 1 ATOM 4275 O OD1 . ASN C 3 194 ? 69.424 21.589 -26.870 1.00 96.18 ? 195 ASN C OD1 1 ATOM 4276 N ND2 . ASN C 3 194 ? 68.298 19.679 -26.493 1.00 87.79 ? 195 ASN C ND2 1 ATOM 4277 N N . SER C 3 195 ? 72.620 19.849 -23.668 1.00 83.71 ? 196 SER C N 1 ATOM 4278 C CA . SER C 3 195 ? 72.618 19.842 -22.207 1.00 81.75 ? 196 SER C CA 1 ATOM 4279 C C . SER C 3 195 ? 73.851 20.571 -21.674 1.00 84.63 ? 196 SER C C 1 ATOM 4280 O O . SER C 3 195 ? 74.878 20.641 -22.355 1.00 86.33 ? 196 SER C O 1 ATOM 4281 C CB . SER C 3 195 ? 72.610 18.402 -21.687 1.00 75.61 ? 196 SER C CB 1 ATOM 4282 O OG . SER C 3 195 ? 71.526 17.659 -22.218 1.00 72.80 ? 196 SER C OG 1 ATOM 4283 N N . ILE C 3 196 ? 73.751 21.104 -20.457 1.00 85.59 ? 197 ILE C N 1 ATOM 4284 C CA . ILE C 3 196 ? 74.889 21.771 -19.817 1.00 88.52 ? 197 ILE C CA 1 ATOM 4285 C C . ILE C 3 196 ? 75.791 20.743 -19.124 1.00 84.38 ? 197 ILE C C 1 ATOM 4286 O O . ILE C 3 196 ? 75.500 20.278 -18.015 1.00 81.63 ? 197 ILE C O 1 ATOM 4287 C CB . ILE C 3 196 ? 74.448 22.896 -18.839 1.00 92.47 ? 197 ILE C CB 1 ATOM 4288 C CG1 . ILE C 3 196 ? 73.552 23.914 -19.558 1.00 97.27 ? 197 ILE C CG1 1 ATOM 4289 C CG2 . ILE C 3 196 ? 75.670 23.598 -18.239 1.00 96.03 ? 197 ILE C CG2 1 ATOM 4290 C CD1 . ILE C 3 196 ? 72.795 24.864 -18.634 1.00 100.76 ? 197 ILE C CD1 1 ATOM 4291 N N . ILE C 3 197 ? 76.880 20.391 -19.804 1.00 84.52 ? 198 ILE C N 1 ATOM 4292 C CA . ILE C 3 197 ? 77.829 19.383 -19.324 1.00 81.24 ? 198 ILE C CA 1 ATOM 4293 C C . ILE C 3 197 ? 79.151 20.025 -18.884 1.00 85.09 ? 198 ILE C C 1 ATOM 4294 O O . ILE C 3 197 ? 79.613 20.976 -19.519 1.00 90.06 ? 198 ILE C O 1 ATOM 4295 C CB . ILE C 3 197 ? 78.087 18.275 -20.389 1.00 78.46 ? 198 ILE C CB 1 ATOM 4296 C CG1 . ILE C 3 197 ? 78.531 18.884 -21.730 1.00 82.98 ? 198 ILE C CG1 1 ATOM 4297 C CG2 . ILE C 3 197 ? 76.840 17.416 -20.571 1.00 73.89 ? 198 ILE C CG2 1 ATOM 4298 C CD1 . ILE C 3 197 ? 79.200 17.899 -22.681 1.00 81.90 ? 198 ILE C CD1 1 ATOM 4299 N N . PRO C 3 198 ? 79.758 19.513 -17.791 1.00 83.29 ? 199 PRO C N 1 ATOM 4300 C CA . PRO C 3 198 ? 81.027 20.031 -17.261 1.00 87.05 ? 199 PRO C CA 1 ATOM 4301 C C . PRO C 3 198 ? 82.142 20.111 -18.303 1.00 90.21 ? 199 PRO C C 1 ATOM 4302 O O . PRO C 3 198 ? 82.158 19.331 -19.257 1.00 88.13 ? 199 PRO C O 1 ATOM 4303 C CB . PRO C 3 198 ? 81.399 19.020 -16.162 1.00 83.47 ? 199 PRO C CB 1 ATOM 4304 C CG . PRO C 3 198 ? 80.447 17.873 -16.319 1.00 77.88 ? 199 PRO C CG 1 ATOM 4305 C CD . PRO C 3 198 ? 79.218 18.445 -16.933 1.00 78.15 ? 199 PRO C CD 1 ATOM 4306 N N . GLU C 3 199 ? 83.061 21.054 -18.106 1.00 95.71 ? 200 GLU C N 1 ATOM 4307 C CA . GLU C 3 199 ? 84.129 21.333 -19.069 1.00 100.25 ? 200 GLU C CA 1 ATOM 4308 C C . GLU C 3 199 ? 85.097 20.162 -19.268 1.00 98.36 ? 200 GLU C C 1 ATOM 4309 O O . GLU C 3 199 ? 85.567 19.926 -20.383 1.00 100.09 ? 200 GLU C O 1 ATOM 4310 C CB . GLU C 3 199 ? 84.900 22.595 -18.664 1.00 106.93 ? 200 GLU C CB 1 ATOM 4311 N N . ASP C 3 200 ? 85.382 19.434 -18.189 1.00 95.38 ? 201 ASP C N 1 ATOM 4312 C CA . ASP C 3 200 ? 86.350 18.333 -18.228 1.00 94.30 ? 201 ASP C CA 1 ATOM 4313 C C . ASP C 3 200 ? 85.711 16.949 -18.422 1.00 88.15 ? 201 ASP C C 1 ATOM 4314 O O . ASP C 3 200 ? 86.205 15.945 -17.898 1.00 86.09 ? 201 ASP C O 1 ATOM 4315 C CB . ASP C 3 200 ? 87.264 18.361 -16.989 1.00 96.11 ? 201 ASP C CB 1 ATOM 4316 C CG . ASP C 3 200 ? 86.499 18.562 -15.686 1.00 94.03 ? 201 ASP C CG 1 ATOM 4317 O OD1 . ASP C 3 200 ? 85.467 17.887 -15.467 1.00 89.27 ? 201 ASP C OD1 1 ATOM 4318 O OD2 . ASP C 3 200 ? 86.944 19.397 -14.869 1.00 98.06 ? 201 ASP C OD2 1 ATOM 4319 N N . THR C 3 201 ? 84.618 16.910 -19.184 1.00 85.73 ? 202 THR C N 1 ATOM 4320 C CA . THR C 3 201 ? 83.954 15.656 -19.537 1.00 80.54 ? 202 THR C CA 1 ATOM 4321 C C . THR C 3 201 ? 84.814 14.888 -20.542 1.00 81.69 ? 202 THR C C 1 ATOM 4322 O O . THR C 3 201 ? 85.250 15.445 -21.553 1.00 85.79 ? 202 THR C O 1 ATOM 4323 C CB . THR C 3 201 ? 82.543 15.904 -20.123 1.00 78.49 ? 202 THR C CB 1 ATOM 4324 O OG1 . THR C 3 201 ? 81.818 16.801 -19.273 1.00 78.86 ? 202 THR C OG1 1 ATOM 4325 C CG2 . THR C 3 201 ? 81.765 14.600 -20.244 1.00 73.17 ? 202 THR C CG2 1 ATOM 4326 N N . PHE C 3 202 ? 85.056 13.612 -20.250 1.00 78.62 ? 203 PHE C N 1 ATOM 4327 C CA . PHE C 3 202 ? 85.939 12.778 -21.062 1.00 80.06 ? 203 PHE C CA 1 ATOM 4328 C C . PHE C 3 202 ? 85.284 12.344 -22.374 1.00 78.88 ? 203 PHE C C 1 ATOM 4329 O O . PHE C 3 202 ? 84.158 11.842 -22.382 1.00 74.59 ? 203 PHE C O 1 ATOM 4330 C CB . PHE C 3 202 ? 86.413 11.564 -20.250 1.00 77.93 ? 203 PHE C CB 1 ATOM 4331 C CG . PHE C 3 202 ? 87.268 10.596 -21.027 1.00 79.69 ? 203 PHE C CG 1 ATOM 4332 C CD1 . PHE C 3 202 ? 88.536 10.959 -21.470 1.00 85.19 ? 203 PHE C CD1 1 ATOM 4333 C CD2 . PHE C 3 202 ? 86.808 9.310 -21.297 1.00 76.32 ? 203 PHE C CD2 1 ATOM 4334 C CE1 . PHE C 3 202 ? 89.326 10.061 -22.183 1.00 87.49 ? 203 PHE C CE1 1 ATOM 4335 C CE2 . PHE C 3 202 ? 87.592 8.405 -22.008 1.00 78.33 ? 203 PHE C CE2 1 ATOM 4336 C CZ . PHE C 3 202 ? 88.851 8.781 -22.451 1.00 84.05 ? 203 PHE C CZ 1 ATOM 4337 N N . PHE C 3 203 ? 86.000 12.557 -23.477 1.00 83.23 ? 204 PHE C N 1 ATOM 4338 C CA . PHE C 3 203 ? 85.565 12.119 -24.803 1.00 83.22 ? 204 PHE C CA 1 ATOM 4339 C C . PHE C 3 203 ? 86.668 11.305 -25.486 1.00 86.43 ? 204 PHE C C 1 ATOM 4340 O O . PHE C 3 203 ? 87.671 11.873 -25.934 1.00 92.05 ? 204 PHE C O 1 ATOM 4341 C CB . PHE C 3 203 ? 85.175 13.315 -25.677 1.00 86.51 ? 204 PHE C CB 1 ATOM 4342 C CG . PHE C 3 203 ? 83.810 13.874 -25.382 1.00 83.25 ? 204 PHE C CG 1 ATOM 4343 C CD1 . PHE C 3 203 ? 83.658 14.963 -24.529 1.00 84.06 ? 204 PHE C CD1 1 ATOM 4344 C CD2 . PHE C 3 203 ? 82.676 13.323 -25.973 1.00 79.88 ? 204 PHE C CD2 1 ATOM 4345 C CE1 . PHE C 3 203 ? 82.397 15.491 -24.260 1.00 81.83 ? 204 PHE C CE1 1 ATOM 4346 C CE2 . PHE C 3 203 ? 81.409 13.843 -25.710 1.00 77.59 ? 204 PHE C CE2 1 ATOM 4347 C CZ . PHE C 3 203 ? 81.271 14.930 -24.852 1.00 78.69 ? 204 PHE C CZ 1 ATOM 4348 N N . PRO C 3 204 ? 86.489 9.971 -25.565 1.00 83.47 ? 205 PRO C N 1 ATOM 4349 C CA . PRO C 3 204 ? 87.489 9.081 -26.163 1.00 86.69 ? 205 PRO C CA 1 ATOM 4350 C C . PRO C 3 204 ? 87.428 9.027 -27.693 1.00 89.87 ? 205 PRO C C 1 ATOM 4351 O O . PRO C 3 204 ? 86.379 9.302 -28.283 1.00 88.13 ? 205 PRO C O 1 ATOM 4352 C CB . PRO C 3 204 ? 87.129 7.717 -25.575 1.00 82.22 ? 205 PRO C CB 1 ATOM 4353 C CG . PRO C 3 204 ? 85.665 7.788 -25.346 1.00 76.87 ? 205 PRO C CG 1 ATOM 4354 C CD . PRO C 3 204 ? 85.339 9.220 -25.028 1.00 77.38 ? 205 PRO C CD 1 ATOM 4355 N N . SER C 3 205 ? 88.551 8.664 -28.313 1.00 95.00 ? 206 SER C N 1 ATOM 4356 C CA . SER C 3 205 ? 88.649 8.510 -29.766 1.00 98.92 ? 206 SER C CA 1 ATOM 4357 C C . SER C 3 205 ? 87.738 7.391 -30.273 1.00 95.24 ? 206 SER C C 1 ATOM 4358 O O . SER C 3 205 ? 87.702 7.094 -31.469 1.00 98.14 ? 206 SER C O 1 ATOM 4359 C CB . SER C 3 205 ? 90.096 8.218 -30.169 1.00 105.47 ? 206 SER C CB 1 ATOM 4360 O OG . SER C 3 205 ? 90.984 9.169 -29.611 1.00 109.28 ? 206 SER C OG 1 ATOM 4361 N N . ALA D 4 3 ? 52.302 -15.778 5.741 1.00 51.20 ? 2 ALA D N 1 ATOM 4362 C CA . ALA D 4 3 ? 50.982 -15.087 5.657 1.00 47.41 ? 2 ALA D CA 1 ATOM 4363 C C . ALA D 4 3 ? 50.774 -14.395 4.295 1.00 45.82 ? 2 ALA D C 1 ATOM 4364 O O . ALA D 4 3 ? 50.216 -13.295 4.215 1.00 43.05 ? 2 ALA D O 1 ATOM 4365 C CB . ALA D 4 3 ? 50.833 -14.101 6.814 1.00 45.22 ? 2 ALA D CB 1 ATOM 4366 N N . ALA D 4 4 ? 51.207 -15.060 3.225 1.00 48.05 ? 3 ALA D N 1 ATOM 4367 C CA . ALA D 4 4 ? 51.184 -14.478 1.877 1.00 47.13 ? 3 ALA D CA 1 ATOM 4368 C C . ALA D 4 4 ? 49.789 -14.424 1.239 1.00 45.00 ? 3 ALA D C 1 ATOM 4369 O O . ALA D 4 4 ? 48.968 -15.331 1.426 1.00 45.89 ? 3 ALA D O 1 ATOM 4370 C CB . ALA D 4 4 ? 52.159 -15.220 0.960 1.00 50.51 ? 3 ALA D CB 1 ATOM 4371 N N . VAL D 4 5 ? 49.538 -13.354 0.487 1.00 42.53 ? 4 VAL D N 1 ATOM 4372 C CA . VAL D 4 5 ? 48.345 -13.245 -0.351 1.00 40.82 ? 4 VAL D CA 1 ATOM 4373 C C . VAL D 4 5 ? 48.772 -13.083 -1.812 1.00 41.58 ? 4 VAL D C 1 ATOM 4374 O O . VAL D 4 5 ? 49.481 -12.137 -2.154 1.00 41.07 ? 4 VAL D O 1 ATOM 4375 C CB . VAL D 4 5 ? 47.449 -12.059 0.084 1.00 37.59 ? 4 VAL D CB 1 ATOM 4376 C CG1 . VAL D 4 5 ? 46.301 -11.853 -0.892 1.00 36.43 ? 4 VAL D CG1 1 ATOM 4377 C CG2 . VAL D 4 5 ? 46.914 -12.282 1.492 1.00 37.01 ? 4 VAL D CG2 1 ATOM 4378 N N . THR D 4 6 ? 48.348 -14.014 -2.664 1.00 43.05 ? 5 THR D N 1 ATOM 4379 C CA . THR D 4 6 ? 48.688 -13.976 -4.091 1.00 44.05 ? 5 THR D CA 1 ATOM 4380 C C . THR D 4 6 ? 47.581 -13.345 -4.942 1.00 42.12 ? 5 THR D C 1 ATOM 4381 O O . THR D 4 6 ? 46.399 -13.418 -4.598 1.00 40.70 ? 5 THR D O 1 ATOM 4382 C CB . THR D 4 6 ? 49.034 -15.384 -4.644 1.00 47.94 ? 5 THR D CB 1 ATOM 4383 O OG1 . THR D 4 6 ? 48.023 -16.323 -4.254 1.00 48.76 ? 5 THR D OG1 1 ATOM 4384 C CG2 . THR D 4 6 ? 50.382 -15.854 -4.118 1.00 50.21 ? 5 THR D CG2 1 ATOM 4385 N N . GLN D 4 7 ? 47.983 -12.717 -6.046 1.00 42.22 ? 6 GLN D N 1 ATOM 4386 C CA . GLN D 4 7 ? 47.047 -12.141 -7.018 1.00 41.23 ? 6 GLN D CA 1 ATOM 4387 C C . GLN D 4 7 ? 47.397 -12.576 -8.439 1.00 43.87 ? 6 GLN D C 1 ATOM 4388 O O . GLN D 4 7 ? 48.575 -12.728 -8.780 1.00 45.69 ? 6 GLN D O 1 ATOM 4389 C CB . GLN D 4 7 ? 47.045 -10.611 -6.948 1.00 38.56 ? 6 GLN D CB 1 ATOM 4390 C CG . GLN D 4 7 ? 46.590 -10.032 -5.616 1.00 36.05 ? 6 GLN D CG 1 ATOM 4391 C CD . GLN D 4 7 ? 46.446 -8.514 -5.628 1.00 33.93 ? 6 GLN D CD 1 ATOM 4392 O OE1 . GLN D 4 7 ? 46.730 -7.851 -4.631 1.00 33.01 ? 6 GLN D OE1 1 ATOM 4393 N NE2 . GLN D 4 7 ? 45.992 -7.962 -6.749 1.00 33.73 ? 6 GLN D NE2 1 ATOM 4394 N N . SER D 4 8 ? 46.367 -12.783 -9.257 1.00 44.39 ? 7 SER D N 1 ATOM 4395 C CA . SER D 4 8 ? 46.541 -13.037 -10.686 1.00 46.74 ? 7 SER D CA 1 ATOM 4396 C C . SER D 4 8 ? 45.376 -12.432 -11.475 1.00 45.93 ? 7 SER D C 1 ATOM 4397 O O . SER D 4 8 ? 44.222 -12.545 -11.059 1.00 45.33 ? 7 SER D O 1 ATOM 4398 C CB . SER D 4 8 ? 46.673 -14.538 -10.974 1.00 50.49 ? 7 SER D CB 1 ATOM 4399 O OG . SER D 4 8 ? 45.410 -15.180 -11.006 1.00 51.45 ? 7 SER D OG 1 ATOM 4400 N N . PRO D 4 9 ? 45.672 -11.771 -12.608 1.00 46.33 ? 8 PRO D N 1 ATOM 4401 C CA . PRO D 4 9 ? 47.016 -11.530 -13.123 1.00 47.39 ? 8 PRO D CA 1 ATOM 4402 C C . PRO D 4 9 ? 47.689 -10.400 -12.355 1.00 44.91 ? 8 PRO D C 1 ATOM 4403 O O . PRO D 4 9 ? 47.020 -9.673 -11.622 1.00 42.46 ? 8 PRO D O 1 ATOM 4404 C CB . PRO D 4 9 ? 46.759 -11.103 -14.569 1.00 48.55 ? 8 PRO D CB 1 ATOM 4405 C CG . PRO D 4 9 ? 45.432 -10.442 -14.521 1.00 46.70 ? 8 PRO D CG 1 ATOM 4406 C CD . PRO D 4 9 ? 44.637 -11.188 -13.482 1.00 46.14 ? 8 PRO D CD 1 ATOM 4407 N N . ARG D 4 10 ? 49.001 -10.270 -12.515 1.00 45.97 ? 9 ARG D N 1 ATOM 4408 C CA . ARG D 4 10 ? 49.734 -9.175 -11.905 1.00 44.26 ? 9 ARG D CA 1 ATOM 4409 C C . ARG D 4 10 ? 49.567 -7.909 -12.736 1.00 43.25 ? 9 ARG D C 1 ATOM 4410 O O . ARG D 4 10 ? 49.642 -6.797 -12.214 1.00 41.68 ? 9 ARG D O 1 ATOM 4411 C CB . ARG D 4 10 ? 51.220 -9.531 -11.769 1.00 46.66 ? 9 ARG D CB 1 ATOM 4412 C CG . ARG D 4 10 ? 51.572 -10.472 -10.601 1.00 47.93 ? 9 ARG D CG 1 ATOM 4413 C CD . ARG D 4 10 ? 51.379 -9.828 -9.215 1.00 46.72 ? 9 ARG D CD 1 ATOM 4414 N NE . ARG D 4 10 ? 51.637 -8.385 -9.224 1.00 46.85 ? 9 ARG D NE 1 ATOM 4415 C CZ . ARG D 4 10 ? 52.835 -7.819 -9.089 1.00 48.88 ? 9 ARG D CZ 1 ATOM 4416 N NH1 . ARG D 4 10 ? 53.923 -8.566 -8.919 1.00 51.92 ? 9 ARG D NH1 1 ATOM 4417 N NH2 . ARG D 4 10 ? 52.945 -6.495 -9.124 1.00 47.85 ? 9 ARG D NH2 1 ATOM 4418 N N . ASN D 4 11 ? 49.328 -8.093 -14.030 1.00 44.54 ? 10 ASN D N 1 ATOM 4419 C CA . ASN D 4 11 ? 49.302 -6.999 -14.987 1.00 44.36 ? 10 ASN D CA 1 ATOM 4420 C C . ASN D 4 11 ? 48.431 -7.402 -16.179 1.00 45.64 ? 10 ASN D C 1 ATOM 4421 O O . ASN D 4 11 ? 48.642 -8.459 -16.777 1.00 48.08 ? 10 ASN D O 1 ATOM 4422 C CB . ASN D 4 11 ? 50.737 -6.687 -15.428 1.00 46.28 ? 10 ASN D CB 1 ATOM 4423 C CG . ASN D 4 11 ? 50.933 -5.241 -15.838 1.00 45.82 ? 10 ASN D CG 1 ATOM 4424 O OD1 . ASN D 4 11 ? 50.210 -4.718 -16.685 1.00 46.11 ? 10 ASN D OD1 1 ATOM 4425 N ND2 . ASN D 4 11 ? 51.935 -4.594 -15.251 1.00 45.74 ? 10 ASN D ND2 1 ATOM 4426 N N . LYS D 4 12 ? 47.451 -6.565 -16.515 1.00 44.36 ? 11 LYS D N 1 ATOM 4427 C CA . LYS D 4 12 ? 46.445 -6.911 -17.523 1.00 45.66 ? 11 LYS D CA 1 ATOM 4428 C C . LYS D 4 12 ? 46.077 -5.747 -18.443 1.00 45.92 ? 11 LYS D C 1 ATOM 4429 O O . LYS D 4 12 ? 45.846 -4.624 -17.989 1.00 44.26 ? 11 LYS D O 1 ATOM 4430 C CB . LYS D 4 12 ? 45.185 -7.467 -16.840 1.00 44.62 ? 11 LYS D CB 1 ATOM 4431 C CG . LYS D 4 12 ? 43.990 -7.736 -17.764 1.00 45.95 ? 11 LYS D CG 1 ATOM 4432 C CD . LYS D 4 12 ? 44.154 -9.020 -18.565 1.00 48.83 ? 11 LYS D CD 1 ATOM 4433 C CE . LYS D 4 12 ? 42.940 -9.278 -19.448 1.00 50.51 ? 11 LYS D CE 1 ATOM 4434 N NZ . LYS D 4 12 ? 43.039 -10.578 -20.164 1.00 53.69 ? 11 LYS D NZ 1 ATOM 4435 N N . VAL D 4 13 ? 46.024 -6.036 -19.740 1.00 48.41 ? 12 VAL D N 1 ATOM 4436 C CA . VAL D 4 13 ? 45.538 -5.087 -20.731 1.00 49.14 ? 12 VAL D CA 1 ATOM 4437 C C . VAL D 4 13 ? 44.217 -5.607 -21.288 1.00 50.46 ? 12 VAL D C 1 ATOM 4438 O O . VAL D 4 13 ? 44.144 -6.726 -21.803 1.00 52.63 ? 12 VAL D O 1 ATOM 4439 C CB . VAL D 4 13 ? 46.557 -4.872 -21.875 1.00 51.51 ? 12 VAL D CB 1 ATOM 4440 C CG1 . VAL D 4 13 ? 46.052 -3.816 -22.854 1.00 52.43 ? 12 VAL D CG1 1 ATOM 4441 C CG2 . VAL D 4 13 ? 47.915 -4.467 -21.316 1.00 50.75 ? 12 VAL D CG2 1 ATOM 4442 N N . ALA D 4 14 ? 43.178 -4.786 -21.170 1.00 49.60 ? 13 ALA D N 1 ATOM 4443 C CA . ALA D 4 14 ? 41.834 -5.155 -21.602 1.00 51.20 ? 13 ALA D CA 1 ATOM 4444 C C . ALA D 4 14 ? 41.215 -4.091 -22.506 1.00 52.59 ? 13 ALA D C 1 ATOM 4445 O O . ALA D 4 14 ? 41.745 -2.985 -22.626 1.00 52.05 ? 13 ALA D O 1 ATOM 4446 C CB . ALA D 4 14 ? 40.957 -5.394 -20.397 1.00 49.31 ? 13 ALA D CB 1 ATOM 4447 N N . VAL D 4 15 ? 40.093 -4.432 -23.137 1.00 54.85 ? 14 VAL D N 1 ATOM 4448 C CA . VAL D 4 15 ? 39.359 -3.490 -23.985 1.00 56.64 ? 14 VAL D CA 1 ATOM 4449 C C . VAL D 4 15 ? 38.019 -3.095 -23.342 1.00 56.31 ? 14 VAL D C 1 ATOM 4450 O O . VAL D 4 15 ? 37.494 -3.820 -22.490 1.00 55.43 ? 14 VAL D O 1 ATOM 4451 C CB . VAL D 4 15 ? 39.167 -4.057 -25.427 1.00 60.49 ? 14 VAL D CB 1 ATOM 4452 C CG1 . VAL D 4 15 ? 38.055 -5.109 -25.478 1.00 62.39 ? 14 VAL D CG1 1 ATOM 4453 C CG2 . VAL D 4 15 ? 38.913 -2.934 -26.427 1.00 62.41 ? 14 VAL D CG2 1 ATOM 4454 N N . THR D 4 16 ? 37.486 -1.939 -23.739 1.00 57.31 ? 15 THR D N 1 ATOM 4455 C CA . THR D 4 16 ? 36.179 -1.472 -23.271 1.00 57.78 ? 15 THR D CA 1 ATOM 4456 C C . THR D 4 16 ? 35.084 -2.454 -23.689 1.00 60.63 ? 15 THR D C 1 ATOM 4457 O O . THR D 4 16 ? 34.947 -2.776 -24.874 1.00 63.71 ? 15 THR D O 1 ATOM 4458 C CB . THR D 4 16 ? 35.840 -0.058 -23.818 1.00 59.34 ? 15 THR D CB 1 ATOM 4459 O OG1 . THR D 4 16 ? 36.906 0.849 -23.520 1.00 57.35 ? 15 THR D OG1 1 ATOM 4460 C CG2 . THR D 4 16 ? 34.550 0.476 -23.204 1.00 60.01 ? 15 THR D CG2 1 ATOM 4461 N N . GLY D 4 17 ? 34.323 -2.931 -22.706 1.00 59.79 ? 16 GLY D N 1 ATOM 4462 C CA . GLY D 4 17 ? 33.188 -3.813 -22.963 1.00 62.88 ? 16 GLY D CA 1 ATOM 4463 C C . GLY D 4 17 ? 33.432 -5.273 -22.632 1.00 62.85 ? 16 GLY D C 1 ATOM 4464 O O . GLY D 4 17 ? 32.485 -6.032 -22.418 1.00 64.82 ? 16 GLY D O 1 ATOM 4465 N N . GLY D 4 18 ? 34.702 -5.669 -22.596 1.00 61.09 ? 17 GLY D N 1 ATOM 4466 C CA . GLY D 4 18 ? 35.072 -7.044 -22.265 1.00 61.37 ? 17 GLY D CA 1 ATOM 4467 C C . GLY D 4 18 ? 34.941 -7.372 -20.784 1.00 58.70 ? 17 GLY D C 1 ATOM 4468 O O . GLY D 4 18 ? 34.936 -6.477 -19.931 1.00 55.62 ? 17 GLY D O 1 ATOM 4469 N N . LYS D 4 19 ? 34.822 -8.665 -20.488 1.00 60.02 ? 18 LYS D N 1 ATOM 4470 C CA . LYS D 4 19 ? 34.818 -9.159 -19.115 1.00 57.96 ? 18 LYS D CA 1 ATOM 4471 C C . LYS D 4 19 ? 36.250 -9.259 -18.590 1.00 55.26 ? 18 LYS D C 1 ATOM 4472 O O . LYS D 4 19 ? 37.122 -9.842 -19.244 1.00 56.43 ? 18 LYS D O 1 ATOM 4473 C CB . LYS D 4 19 ? 34.101 -10.513 -19.027 1.00 60.98 ? 18 LYS D CB 1 ATOM 4474 C CG . LYS D 4 19 ? 34.430 -11.332 -17.780 1.00 59.53 ? 18 LYS D CG 1 ATOM 4475 C CD . LYS D 4 19 ? 33.426 -12.445 -17.540 1.00 63.22 ? 18 LYS D CD 1 ATOM 4476 C CE . LYS D 4 19 ? 32.289 -11.973 -16.647 1.00 62.43 ? 18 LYS D CE 1 ATOM 4477 N NZ . LYS D 4 19 ? 31.362 -13.076 -16.265 1.00 65.97 ? 18 LYS D NZ 1 ATOM 4478 N N . VAL D 4 20 ? 36.480 -8.675 -17.414 1.00 51.91 ? 19 VAL D N 1 ATOM 4479 C CA . VAL D 4 20 ? 37.793 -8.688 -16.774 1.00 49.58 ? 19 VAL D CA 1 ATOM 4480 C C . VAL D 4 20 ? 37.676 -9.222 -15.349 1.00 48.06 ? 19 VAL D C 1 ATOM 4481 O O . VAL D 4 20 ? 37.041 -8.605 -14.486 1.00 46.40 ? 19 VAL D O 1 ATOM 4482 C CB . VAL D 4 20 ? 38.440 -7.280 -16.753 1.00 47.28 ? 19 VAL D CB 1 ATOM 4483 C CG1 . VAL D 4 20 ? 39.782 -7.304 -16.021 1.00 45.00 ? 19 VAL D CG1 1 ATOM 4484 C CG2 . VAL D 4 20 ? 38.613 -6.751 -18.164 1.00 49.01 ? 19 VAL D CG2 1 ATOM 4485 N N . THR D 4 21 ? 38.297 -10.371 -15.111 1.00 48.96 ? 20 THR D N 1 ATOM 4486 C CA . THR D 4 21 ? 38.253 -11.008 -13.801 1.00 47.85 ? 20 THR D CA 1 ATOM 4487 C C . THR D 4 21 ? 39.620 -10.969 -13.106 1.00 45.78 ? 20 THR D C 1 ATOM 4488 O O . THR D 4 21 ? 40.599 -11.537 -13.599 1.00 47.01 ? 20 THR D O 1 ATOM 4489 C CB . THR D 4 21 ? 37.673 -12.455 -13.884 1.00 51.11 ? 20 THR D CB 1 ATOM 4490 O OG1 . THR D 4 21 ? 37.854 -13.128 -12.632 1.00 50.24 ? 20 THR D OG1 1 ATOM 4491 C CG2 . THR D 4 21 ? 38.332 -13.270 -15.010 1.00 54.46 ? 20 THR D CG2 1 ATOM 4492 N N . LEU D 4 22 ? 39.675 -10.270 -11.973 1.00 42.94 ? 21 LEU D N 1 ATOM 4493 C CA . LEU D 4 22 ? 40.883 -10.218 -11.151 1.00 41.36 ? 21 LEU D CA 1 ATOM 4494 C C . LEU D 4 22 ? 40.735 -11.158 -9.969 1.00 41.46 ? 21 LEU D C 1 ATOM 4495 O O . LEU D 4 22 ? 39.777 -11.055 -9.202 1.00 40.67 ? 21 LEU D O 1 ATOM 4496 C CB . LEU D 4 22 ? 41.170 -8.798 -10.657 1.00 38.54 ? 21 LEU D CB 1 ATOM 4497 C CG . LEU D 4 22 ? 41.253 -7.644 -11.659 1.00 38.48 ? 21 LEU D CG 1 ATOM 4498 C CD1 . LEU D 4 22 ? 41.627 -6.379 -10.918 1.00 36.31 ? 21 LEU D CD1 1 ATOM 4499 C CD2 . LEU D 4 22 ? 42.241 -7.915 -12.800 1.00 39.85 ? 21 LEU D CD2 1 ATOM 4500 N N . SER D 4 23 ? 41.690 -12.072 -9.832 1.00 42.96 ? 22 SER D N 1 ATOM 4501 C CA . SER D 4 23 ? 41.628 -13.114 -8.813 1.00 43.96 ? 22 SER D CA 1 ATOM 4502 C C . SER D 4 23 ? 42.569 -12.833 -7.653 1.00 42.19 ? 22 SER D C 1 ATOM 4503 O O . SER D 4 23 ? 43.595 -12.167 -7.814 1.00 41.59 ? 22 SER D O 1 ATOM 4504 C CB . SER D 4 23 ? 41.956 -14.478 -9.418 1.00 47.55 ? 22 SER D CB 1 ATOM 4505 O OG . SER D 4 23 ? 41.178 -14.717 -10.579 1.00 50.40 ? 22 SER D OG 1 ATOM 4506 N N . CYS D 4 24 ? 42.202 -13.353 -6.486 1.00 41.92 ? 23 CYS D N 1 ATOM 4507 C CA . CYS D 4 24 ? 43.014 -13.253 -5.289 1.00 40.49 ? 23 CYS D CA 1 ATOM 4508 C C . CYS D 4 24 ? 42.992 -14.581 -4.547 1.00 42.32 ? 23 CYS D C 1 ATOM 4509 O O . CYS D 4 24 ? 41.943 -15.221 -4.443 1.00 43.50 ? 23 CYS D O 1 ATOM 4510 C CB . CYS D 4 24 ? 42.469 -12.154 -4.398 1.00 37.76 ? 23 CYS D CB 1 ATOM 4511 S SG . CYS D 4 24 ? 43.352 -11.938 -2.859 1.00 37.41 ? 23 CYS D SG 1 ATOM 4512 N N . ASN D 4 25 ? 44.149 -14.986 -4.030 1.00 42.92 ? 24 ASN D N 1 ATOM 4513 C CA . ASN D 4 25 ? 44.290 -16.271 -3.349 1.00 45.08 ? 24 ASN D CA 1 ATOM 4514 C C . ASN D 4 25 ? 45.105 -16.183 -2.058 1.00 44.25 ? 24 ASN D C 1 ATOM 4515 O O . ASN D 4 25 ? 46.197 -15.611 -2.035 1.00 43.87 ? 24 ASN D O 1 ATOM 4516 C CB . ASN D 4 25 ? 44.898 -17.310 -4.300 1.00 48.77 ? 24 ASN D CB 1 ATOM 4517 C CG . ASN D 4 25 ? 45.025 -18.692 -3.666 1.00 52.00 ? 24 ASN D CG 1 ATOM 4518 O OD1 . ASN D 4 25 ? 45.920 -18.937 -2.854 1.00 52.50 ? 24 ASN D OD1 1 ATOM 4519 N ND2 . ASN D 4 25 ? 44.140 -19.605 -4.054 1.00 53.76 ? 24 ASN D ND2 1 ATOM 4520 N N . GLN D 4 26 ? 44.558 -16.755 -0.989 1.00 44.32 ? 25 GLN D N 1 ATOM 4521 C CA . GLN D 4 26 ? 45.273 -16.897 0.275 1.00 44.12 ? 25 GLN D CA 1 ATOM 4522 C C . GLN D 4 26 ? 45.020 -18.276 0.881 1.00 47.16 ? 25 GLN D C 1 ATOM 4523 O O . GLN D 4 26 ? 43.883 -18.756 0.915 1.00 47.73 ? 25 GLN D O 1 ATOM 4524 C CB . GLN D 4 26 ? 44.904 -15.775 1.254 1.00 40.74 ? 25 GLN D CB 1 ATOM 4525 C CG . GLN D 4 26 ? 43.414 -15.638 1.586 1.00 39.38 ? 25 GLN D CG 1 ATOM 4526 C CD . GLN D 4 26 ? 42.994 -16.405 2.833 1.00 40.48 ? 25 GLN D CD 1 ATOM 4527 O OE1 . GLN D 4 26 ? 43.808 -16.680 3.718 1.00 41.12 ? 25 GLN D OE1 1 ATOM 4528 N NE2 . GLN D 4 26 ? 41.712 -16.746 2.911 1.00 40.66 ? 25 GLN D NE2 1 ATOM 4529 N N . THR D 4 27 ? 46.091 -18.916 1.338 1.00 49.46 ? 26 THR D N 1 ATOM 4530 C CA . THR D 4 27 ? 45.996 -20.245 1.934 1.00 52.93 ? 26 THR D CA 1 ATOM 4531 C C . THR D 4 27 ? 46.126 -20.169 3.453 1.00 52.10 ? 26 THR D C 1 ATOM 4532 O O . THR D 4 27 ? 46.410 -21.172 4.117 1.00 55.19 ? 26 THR D O 1 ATOM 4533 C CB . THR D 4 27 ? 47.064 -21.195 1.365 1.00 57.20 ? 26 THR D CB 1 ATOM 4534 O OG1 . THR D 4 27 ? 48.364 -20.643 1.597 1.00 57.02 ? 26 THR D OG1 1 ATOM 4535 C CG2 . THR D 4 27 ? 46.858 -21.399 -0.128 1.00 58.62 ? 26 THR D CG2 1 ATOM 4536 N N . ASN D 4 28 ? 45.898 -18.971 3.989 1.00 48.23 ? 27 ASN D N 1 ATOM 4537 C CA . ASN D 4 28 ? 46.029 -18.699 5.420 1.00 47.28 ? 27 ASN D CA 1 ATOM 4538 C C . ASN D 4 28 ? 44.771 -19.043 6.222 1.00 46.95 ? 27 ASN D C 1 ATOM 4539 O O . ASN D 4 28 ? 44.734 -18.851 7.442 1.00 46.30 ? 27 ASN D O 1 ATOM 4540 C CB . ASN D 4 28 ? 46.418 -17.232 5.641 1.00 43.91 ? 27 ASN D CB 1 ATOM 4541 C CG . ASN D 4 28 ? 47.699 -16.850 4.917 1.00 44.63 ? 27 ASN D CG 1 ATOM 4542 O OD1 . ASN D 4 28 ? 48.725 -17.524 5.045 1.00 47.49 ? 27 ASN D OD1 1 ATOM 4543 N ND2 . ASN D 4 28 ? 47.645 -15.760 4.154 1.00 41.82 ? 27 ASN D ND2 1 ATOM 4544 N N . ASN D 4 29 ? 43.755 -19.557 5.526 1.00 47.76 ? 28 ASN D N 1 ATOM 4545 C CA . ASN D 4 29 ? 42.460 -19.922 6.116 1.00 47.92 ? 28 ASN D CA 1 ATOM 4546 C C . ASN D 4 29 ? 41.735 -18.724 6.735 1.00 44.23 ? 28 ASN D C 1 ATOM 4547 O O . ASN D 4 29 ? 40.861 -18.883 7.588 1.00 44.40 ? 28 ASN D O 1 ATOM 4548 C CB . ASN D 4 29 ? 42.612 -21.076 7.125 1.00 51.08 ? 28 ASN D CB 1 ATOM 4549 C CG . ASN D 4 29 ? 41.304 -21.825 7.380 1.00 52.77 ? 28 ASN D CG 1 ATOM 4550 O OD1 . ASN D 4 29 ? 40.287 -21.588 6.725 1.00 51.87 ? 28 ASN D OD1 1 ATOM 4551 N ND2 . ASN D 4 29 ? 41.334 -22.740 8.336 1.00 55.52 ? 28 ASN D ND2 1 ATOM 4552 N N . HIS D 4 30 ? 42.105 -17.526 6.288 1.00 41.42 ? 29 HIS D N 1 ATOM 4553 C CA . HIS D 4 30 ? 41.491 -16.286 6.751 1.00 38.33 ? 29 HIS D CA 1 ATOM 4554 C C . HIS D 4 30 ? 40.049 -16.189 6.257 1.00 38.01 ? 29 HIS D C 1 ATOM 4555 O O . HIS D 4 30 ? 39.768 -16.417 5.079 1.00 38.78 ? 29 HIS D O 1 ATOM 4556 C CB . HIS D 4 30 ? 42.310 -15.080 6.276 1.00 36.09 ? 29 HIS D CB 1 ATOM 4557 C CG . HIS D 4 30 ? 43.598 -14.886 7.020 1.00 36.17 ? 29 HIS D CG 1 ATOM 4558 N ND1 . HIS D 4 30 ? 44.356 -13.739 6.905 1.00 34.27 ? 29 HIS D ND1 1 ATOM 4559 C CD2 . HIS D 4 30 ? 44.254 -15.681 7.899 1.00 38.04 ? 29 HIS D CD2 1 ATOM 4560 C CE1 . HIS D 4 30 ? 45.426 -13.841 7.673 1.00 35.26 ? 29 HIS D CE1 1 ATOM 4561 N NE2 . HIS D 4 30 ? 45.388 -15.009 8.288 1.00 37.70 ? 29 HIS D NE2 1 ATOM 4562 N N . ASN D 4 31 ? 39.139 -15.874 7.175 1.00 37.29 ? 30 ASN D N 1 ATOM 4563 C CA . ASN D 4 31 ? 37.721 -15.737 6.850 1.00 37.41 ? 30 ASN D CA 1 ATOM 4564 C C . ASN D 4 31 ? 37.427 -14.503 6.002 1.00 35.20 ? 30 ASN D C 1 ATOM 4565 O O . ASN D 4 31 ? 36.486 -14.501 5.206 1.00 35.88 ? 30 ASN D O 1 ATOM 4566 C CB . ASN D 4 31 ? 36.882 -15.669 8.133 1.00 37.42 ? 30 ASN D CB 1 ATOM 4567 C CG . ASN D 4 31 ? 36.620 -17.030 8.742 1.00 40.49 ? 30 ASN D CG 1 ATOM 4568 O OD1 . ASN D 4 31 ? 37.077 -18.056 8.238 1.00 43.39 ? 30 ASN D OD1 1 ATOM 4569 N ND2 . ASN D 4 31 ? 35.869 -17.045 9.838 1.00 40.85 ? 30 ASN D ND2 1 ATOM 4570 N N . ASN D 4 32 ? 38.247 -13.468 6.174 1.00 32.85 ? 31 ASN D N 1 ATOM 4571 C CA . ASN D 4 32 ? 37.925 -12.136 5.682 1.00 30.86 ? 31 ASN D CA 1 ATOM 4572 C C . ASN D 4 32 ? 38.863 -11.651 4.587 1.00 30.20 ? 31 ASN D C 1 ATOM 4573 O O . ASN D 4 32 ? 40.081 -11.740 4.718 1.00 29.97 ? 31 ASN D O 1 ATOM 4574 C CB . ASN D 4 32 ? 37.896 -11.147 6.850 1.00 29.38 ? 31 ASN D CB 1 ATOM 4575 C CG . ASN D 4 32 ? 37.144 -11.690 8.053 1.00 29.84 ? 31 ASN D CG 1 ATOM 4576 O OD1 . ASN D 4 32 ? 36.017 -12.157 7.930 1.00 31.37 ? 31 ASN D OD1 1 ATOM 4577 N ND2 . ASN D 4 32 ? 37.771 -11.640 9.219 1.00 29.11 ? 31 ASN D ND2 1 ATOM 4578 N N . MET D 4 33 ? 38.274 -11.144 3.504 1.00 30.21 ? 32 MET D N 1 ATOM 4579 C CA . MET D 4 33 ? 39.023 -10.679 2.333 1.00 29.89 ? 32 MET D CA 1 ATOM 4580 C C . MET D 4 33 ? 38.436 -9.371 1.803 1.00 28.98 ? 32 MET D C 1 ATOM 4581 O O . MET D 4 33 ? 37.232 -9.142 1.913 1.00 29.41 ? 32 MET D O 1 ATOM 4582 C CB . MET D 4 33 ? 39.047 -11.752 1.241 1.00 31.62 ? 32 MET D CB 1 ATOM 4583 C CG . MET D 4 33 ? 39.647 -13.075 1.695 1.00 33.23 ? 32 MET D CG 1 ATOM 4584 S SD . MET D 4 33 ? 39.831 -14.301 0.392 1.00 37.03 ? 32 MET D SD 1 ATOM 4585 C CE . MET D 4 33 ? 41.235 -13.641 -0.508 1.00 35.88 ? 32 MET D CE 1 ATOM 4586 N N . TYR D 4 34 ? 39.296 -8.518 1.243 1.00 28.25 ? 33 TYR D N 1 ATOM 4587 C CA . TYR D 4 34 ? 38.928 -7.146 0.880 1.00 27.51 ? 33 TYR D CA 1 ATOM 4588 C C . TYR D 4 34 ? 39.589 -6.739 -0.431 1.00 27.66 ? 33 TYR D C 1 ATOM 4589 O O . TYR D 4 34 ? 40.774 -7.017 -0.628 1.00 28.14 ? 33 TYR D O 1 ATOM 4590 C CB . TYR D 4 34 ? 39.378 -6.168 1.978 1.00 26.76 ? 33 TYR D CB 1 ATOM 4591 C CG . TYR D 4 34 ? 39.092 -6.610 3.397 1.00 26.68 ? 33 TYR D CG 1 ATOM 4592 C CD1 . TYR D 4 34 ? 39.939 -7.499 4.056 1.00 26.95 ? 33 TYR D CD1 1 ATOM 4593 C CD2 . TYR D 4 34 ? 37.983 -6.130 4.084 1.00 27.21 ? 33 TYR D CD2 1 ATOM 4594 C CE1 . TYR D 4 34 ? 39.677 -7.912 5.354 1.00 27.44 ? 33 TYR D CE1 1 ATOM 4595 C CE2 . TYR D 4 34 ? 37.710 -6.537 5.393 1.00 27.48 ? 33 TYR D CE2 1 ATOM 4596 C CZ . TYR D 4 34 ? 38.565 -7.428 6.017 1.00 27.27 ? 33 TYR D CZ 1 ATOM 4597 O OH . TYR D 4 34 ? 38.312 -7.834 7.302 1.00 27.72 ? 33 TYR D OH 1 ATOM 4598 N N . TRP D 4 35 ? 38.836 -6.077 -1.313 1.00 27.80 ? 34 TRP D N 1 ATOM 4599 C CA . TRP D 4 35 ? 39.365 -5.576 -2.595 1.00 27.88 ? 34 TRP D CA 1 ATOM 4600 C C . TRP D 4 35 ? 39.428 -4.045 -2.645 1.00 27.46 ? 34 TRP D C 1 ATOM 4601 O O . TRP D 4 35 ? 38.397 -3.371 -2.551 1.00 27.80 ? 34 TRP D O 1 ATOM 4602 C CB . TRP D 4 35 ? 38.526 -6.077 -3.776 1.00 29.32 ? 34 TRP D CB 1 ATOM 4603 C CG . TRP D 4 35 ? 39.022 -7.333 -4.434 1.00 30.22 ? 34 TRP D CG 1 ATOM 4604 C CD1 . TRP D 4 35 ? 38.403 -8.551 -4.445 1.00 31.39 ? 34 TRP D CD1 1 ATOM 4605 C CD2 . TRP D 4 35 ? 40.225 -7.489 -5.200 1.00 30.52 ? 34 TRP D CD2 1 ATOM 4606 N NE1 . TRP D 4 35 ? 39.150 -9.459 -5.156 1.00 32.42 ? 34 TRP D NE1 1 ATOM 4607 C CE2 . TRP D 4 35 ? 40.274 -8.834 -5.630 1.00 32.05 ? 34 TRP D CE2 1 ATOM 4608 C CE3 . TRP D 4 35 ? 41.271 -6.627 -5.556 1.00 30.00 ? 34 TRP D CE3 1 ATOM 4609 C CZ2 . TRP D 4 35 ? 41.330 -9.338 -6.398 1.00 33.57 ? 34 TRP D CZ2 1 ATOM 4610 C CZ3 . TRP D 4 35 ? 42.321 -7.130 -6.321 1.00 30.97 ? 34 TRP D CZ3 1 ATOM 4611 C CH2 . TRP D 4 35 ? 42.341 -8.472 -6.732 1.00 32.66 ? 34 TRP D CH2 1 ATOM 4612 N N . TYR D 4 36 ? 40.638 -3.511 -2.811 1.00 27.05 ? 35 TYR D N 1 ATOM 4613 C CA . TYR D 4 36 ? 40.869 -2.066 -2.904 1.00 26.99 ? 35 TYR D CA 1 ATOM 4614 C C . TYR D 4 36 ? 41.391 -1.650 -4.278 1.00 27.76 ? 35 TYR D C 1 ATOM 4615 O O . TYR D 4 36 ? 41.958 -2.468 -5.005 1.00 28.15 ? 35 TYR D O 1 ATOM 4616 C CB . TYR D 4 36 ? 41.914 -1.636 -1.878 1.00 26.65 ? 35 TYR D CB 1 ATOM 4617 C CG . TYR D 4 36 ? 41.558 -1.858 -0.429 1.00 26.05 ? 35 TYR D CG 1 ATOM 4618 C CD1 . TYR D 4 36 ? 41.878 -3.054 0.212 1.00 25.69 ? 35 TYR D CD1 1 ATOM 4619 C CD2 . TYR D 4 36 ? 40.942 -0.852 0.316 1.00 26.07 ? 35 TYR D CD2 1 ATOM 4620 C CE1 . TYR D 4 36 ? 41.573 -3.249 1.550 1.00 25.65 ? 35 TYR D CE1 1 ATOM 4621 C CE2 . TYR D 4 36 ? 40.631 -1.038 1.650 1.00 25.66 ? 35 TYR D CE2 1 ATOM 4622 C CZ . TYR D 4 36 ? 40.947 -2.236 2.261 1.00 25.55 ? 35 TYR D CZ 1 ATOM 4623 O OH . TYR D 4 36 ? 40.636 -2.423 3.585 1.00 26.08 ? 35 TYR D OH 1 ATOM 4624 N N . ARG D 4 37 ? 41.222 -0.372 -4.619 1.00 28.37 ? 36 ARG D N 1 ATOM 4625 C CA . ARG D 4 37 ? 41.918 0.218 -5.775 1.00 29.36 ? 36 ARG D CA 1 ATOM 4626 C C . ARG D 4 37 ? 42.684 1.482 -5.392 1.00 29.92 ? 36 ARG D C 1 ATOM 4627 O O . ARG D 4 37 ? 42.203 2.290 -4.594 1.00 29.97 ? 36 ARG D O 1 ATOM 4628 C CB . ARG D 4 37 ? 40.971 0.482 -6.960 1.00 30.52 ? 36 ARG D CB 1 ATOM 4629 C CG . ARG D 4 37 ? 39.916 1.558 -6.738 1.00 31.10 ? 36 ARG D CG 1 ATOM 4630 C CD . ARG D 4 37 ? 39.163 1.883 -8.017 1.00 32.53 ? 36 ARG D CD 1 ATOM 4631 N NE . ARG D 4 37 ? 39.904 2.789 -8.895 1.00 33.68 ? 36 ARG D NE 1 ATOM 4632 C CZ . ARG D 4 37 ? 39.477 3.195 -10.091 1.00 35.34 ? 36 ARG D CZ 1 ATOM 4633 N NH1 . ARG D 4 37 ? 38.310 2.780 -10.563 1.00 36.37 ? 36 ARG D NH1 1 ATOM 4634 N NH2 . ARG D 4 37 ? 40.217 4.017 -10.821 1.00 36.01 ? 36 ARG D NH2 1 ATOM 4635 N N . GLN D 4 38 ? 43.878 1.636 -5.964 1.00 30.66 ? 37 GLN D N 1 ATOM 4636 C CA . GLN D 4 38 ? 44.728 2.797 -5.701 1.00 31.96 ? 37 GLN D CA 1 ATOM 4637 C C . GLN D 4 38 ? 44.866 3.697 -6.928 1.00 34.05 ? 37 GLN D C 1 ATOM 4638 O O . GLN D 4 38 ? 45.212 3.236 -8.017 1.00 34.56 ? 37 GLN D O 1 ATOM 4639 C CB . GLN D 4 38 ? 46.109 2.361 -5.211 1.00 31.79 ? 37 GLN D CB 1 ATOM 4640 C CG . GLN D 4 38 ? 47.001 3.519 -4.784 1.00 33.02 ? 37 GLN D CG 1 ATOM 4641 C CD . GLN D 4 38 ? 48.395 3.079 -4.388 1.00 33.41 ? 37 GLN D CD 1 ATOM 4642 O OE1 . GLN D 4 38 ? 49.060 2.349 -5.123 1.00 33.74 ? 37 GLN D OE1 1 ATOM 4643 N NE2 . GLN D 4 38 ? 48.850 3.531 -3.224 1.00 33.68 ? 37 GLN D NE2 1 ATOM 4644 N N . ASP D 4 39 ? 44.594 4.983 -6.733 1.00 35.79 ? 38 ASP D N 1 ATOM 4645 C CA . ASP D 4 39 ? 44.727 5.986 -7.784 1.00 38.30 ? 38 ASP D CA 1 ATOM 4646 C C . ASP D 4 39 ? 45.506 7.180 -7.248 1.00 40.52 ? 38 ASP D C 1 ATOM 4647 O O . ASP D 4 39 ? 45.453 7.473 -6.044 1.00 40.49 ? 38 ASP D O 1 ATOM 4648 C CB . ASP D 4 39 ? 43.349 6.433 -8.268 1.00 39.00 ? 38 ASP D CB 1 ATOM 4649 C CG . ASP D 4 39 ? 42.504 5.277 -8.749 1.00 38.18 ? 38 ASP D CG 1 ATOM 4650 O OD1 . ASP D 4 39 ? 42.732 4.814 -9.890 1.00 39.40 ? 38 ASP D OD1 1 ATOM 4651 O OD2 . ASP D 4 39 ? 41.621 4.828 -7.983 1.00 37.12 ? 38 ASP D OD2 1 ATOM 4652 N N . THR D 4 40 ? 46.223 7.864 -8.138 1.00 42.70 ? 39 THR D N 1 ATOM 4653 C CA . THR D 4 40 ? 47.076 8.983 -7.746 1.00 45.54 ? 39 THR D CA 1 ATOM 4654 C C . THR D 4 40 ? 46.269 10.090 -7.070 1.00 47.12 ? 39 THR D C 1 ATOM 4655 O O . THR D 4 40 ? 45.165 10.421 -7.507 1.00 47.50 ? 39 THR D O 1 ATOM 4656 C CB . THR D 4 40 ? 47.858 9.559 -8.942 1.00 48.10 ? 39 THR D CB 1 ATOM 4657 O OG1 . THR D 4 40 ? 46.941 10.111 -9.897 1.00 49.42 ? 39 THR D OG1 1 ATOM 4658 C CG2 . THR D 4 40 ? 48.708 8.467 -9.609 1.00 47.31 ? 39 THR D CG2 1 ATOM 4659 N N . GLY D 4 41 ? 46.825 10.635 -5.989 1.00 48.52 ? 40 GLY D N 1 ATOM 4660 C CA . GLY D 4 41 ? 46.162 11.672 -5.195 1.00 50.42 ? 40 GLY D CA 1 ATOM 4661 C C . GLY D 4 41 ? 45.040 11.143 -4.317 1.00 48.25 ? 40 GLY D C 1 ATOM 4662 O O . GLY D 4 41 ? 44.279 11.923 -3.737 1.00 49.93 ? 40 GLY D O 1 ATOM 4663 N N . HIS D 4 42 ? 44.940 9.817 -4.224 1.00 44.92 ? 41 HIS D N 1 ATOM 4664 C CA . HIS D 4 42 ? 43.922 9.153 -3.409 1.00 42.96 ? 41 HIS D CA 1 ATOM 4665 C C . HIS D 4 42 ? 44.523 8.049 -2.546 1.00 40.48 ? 41 HIS D C 1 ATOM 4666 O O . HIS D 4 42 ? 45.524 7.427 -2.914 1.00 39.96 ? 41 HIS D O 1 ATOM 4667 C CB . HIS D 4 42 ? 42.818 8.560 -4.295 1.00 41.83 ? 41 HIS D CB 1 ATOM 4668 C CG . HIS D 4 42 ? 41.841 9.574 -4.808 1.00 44.94 ? 41 HIS D CG 1 ATOM 4669 N ND1 . HIS D 4 42 ? 42.049 10.289 -5.969 1.00 47.58 ? 41 HIS D ND1 1 ATOM 4670 C CD2 . HIS D 4 42 ? 40.652 9.995 -4.315 1.00 46.33 ? 41 HIS D CD2 1 ATOM 4671 C CE1 . HIS D 4 42 ? 41.031 11.107 -6.168 1.00 50.03 ? 41 HIS D CE1 1 ATOM 4672 N NE2 . HIS D 4 42 ? 40.170 10.949 -5.178 1.00 49.52 ? 41 HIS D NE2 1 ATOM 4673 N N . GLY D 4 43 ? 43.910 7.809 -1.393 1.00 39.27 ? 42 GLY D N 1 ATOM 4674 C CA . GLY D 4 43 ? 44.246 6.642 -0.595 1.00 36.87 ? 42 GLY D CA 1 ATOM 4675 C C . GLY D 4 43 ? 43.578 5.431 -1.216 1.00 34.47 ? 42 GLY D C 1 ATOM 4676 O O . GLY D 4 43 ? 42.741 5.570 -2.115 1.00 34.67 ? 42 GLY D O 1 ATOM 4677 N N . LEU D 4 44 ? 43.952 4.242 -0.753 1.00 32.48 ? 43 LEU D N 1 ATOM 4678 C CA . LEU D 4 44 ? 43.272 3.025 -1.172 1.00 30.53 ? 43 LEU D CA 1 ATOM 4679 C C . LEU D 4 44 ? 41.806 3.082 -0.749 1.00 30.21 ? 43 LEU D C 1 ATOM 4680 O O . LEU D 4 44 ? 41.481 3.513 0.362 1.00 30.50 ? 43 LEU D O 1 ATOM 4681 C CB . LEU D 4 44 ? 43.958 1.782 -0.598 1.00 29.37 ? 43 LEU D CB 1 ATOM 4682 C CG . LEU D 4 44 ? 45.068 1.117 -1.420 1.00 29.26 ? 43 LEU D CG 1 ATOM 4683 C CD1 . LEU D 4 44 ? 46.364 1.902 -1.366 1.00 30.41 ? 43 LEU D CD1 1 ATOM 4684 C CD2 . LEU D 4 44 ? 45.300 -0.298 -0.919 1.00 28.46 ? 43 LEU D CD2 1 ATOM 4685 N N . ARG D 4 45 ? 40.928 2.665 -1.655 1.00 29.86 ? 44 ARG D N 1 ATOM 4686 C CA . ARG D 4 45 ? 39.492 2.727 -1.430 1.00 30.04 ? 44 ARG D CA 1 ATOM 4687 C C . ARG D 4 45 ? 38.845 1.355 -1.601 1.00 29.00 ? 44 ARG D C 1 ATOM 4688 O O . ARG D 4 45 ? 39.023 0.691 -2.624 1.00 28.92 ? 44 ARG D O 1 ATOM 4689 C CB . ARG D 4 45 ? 38.845 3.747 -2.368 1.00 31.74 ? 44 ARG D CB 1 ATOM 4690 C CG . ARG D 4 45 ? 39.215 5.195 -2.082 1.00 33.58 ? 44 ARG D CG 1 ATOM 4691 C CD . ARG D 4 45 ? 38.677 6.119 -3.165 1.00 36.16 ? 44 ARG D CD 1 ATOM 4692 N NE . ARG D 4 45 ? 39.253 5.805 -4.474 1.00 36.60 ? 44 ARG D NE 1 ATOM 4693 C CZ . ARG D 4 45 ? 38.943 6.420 -5.613 1.00 38.30 ? 44 ARG D CZ 1 ATOM 4694 N NH1 . ARG D 4 45 ? 38.048 7.400 -5.631 1.00 40.50 ? 44 ARG D NH1 1 ATOM 4695 N NH2 . ARG D 4 45 ? 39.533 6.048 -6.741 1.00 37.91 ? 44 ARG D NH2 1 ATOM 4696 N N . LEU D 4 46 ? 38.091 0.947 -0.584 1.00 28.58 ? 45 LEU D N 1 ATOM 4697 C CA . LEU D 4 46 ? 37.413 -0.346 -0.553 1.00 27.92 ? 45 LEU D CA 1 ATOM 4698 C C . LEU D 4 46 ? 36.299 -0.439 -1.609 1.00 29.15 ? 45 LEU D C 1 ATOM 4699 O O . LEU D 4 46 ? 35.404 0.412 -1.669 1.00 30.41 ? 45 LEU D O 1 ATOM 4700 C CB . LEU D 4 46 ? 36.850 -0.580 0.855 1.00 27.62 ? 45 LEU D CB 1 ATOM 4701 C CG . LEU D 4 46 ? 36.311 -1.941 1.296 1.00 27.10 ? 45 LEU D CG 1 ATOM 4702 C CD1 . LEU D 4 46 ? 37.428 -2.967 1.429 1.00 26.00 ? 45 LEU D CD1 1 ATOM 4703 C CD2 . LEU D 4 46 ? 35.579 -1.782 2.614 1.00 26.98 ? 45 LEU D CD2 1 ATOM 4704 N N . ILE D 4 47 ? 36.371 -1.473 -2.442 1.00 29.03 ? 46 ILE D N 1 ATOM 4705 C CA . ILE D 4 47 ? 35.354 -1.721 -3.460 1.00 30.52 ? 46 ILE D CA 1 ATOM 4706 C C . ILE D 4 47 ? 34.339 -2.735 -2.943 1.00 31.11 ? 46 ILE D C 1 ATOM 4707 O O . ILE D 4 47 ? 33.138 -2.469 -2.910 1.00 32.82 ? 46 ILE D O 1 ATOM 4708 C CB . ILE D 4 47 ? 35.967 -2.244 -4.779 1.00 30.69 ? 46 ILE D CB 1 ATOM 4709 C CG1 . ILE D 4 47 ? 37.016 -1.269 -5.326 1.00 30.59 ? 46 ILE D CG1 1 ATOM 4710 C CG2 . ILE D 4 47 ? 34.875 -2.458 -5.809 1.00 32.94 ? 46 ILE D CG2 1 ATOM 4711 C CD1 . ILE D 4 47 ? 38.012 -1.889 -6.309 1.00 30.12 ? 46 ILE D CD1 1 ATOM 4712 N N . HIS D 4 48 ? 34.842 -3.900 -2.550 1.00 30.31 ? 47 HIS D N 1 ATOM 4713 C CA . HIS D 4 48 ? 34.025 -4.986 -2.027 1.00 30.95 ? 47 HIS D CA 1 ATOM 4714 C C . HIS D 4 48 ? 34.812 -5.719 -0.959 1.00 29.52 ? 47 HIS D C 1 ATOM 4715 O O . HIS D 4 48 ? 36.045 -5.675 -0.943 1.00 28.34 ? 47 HIS D O 1 ATOM 4716 C CB . HIS D 4 48 ? 33.661 -5.976 -3.135 1.00 32.54 ? 47 HIS D CB 1 ATOM 4717 C CG . HIS D 4 48 ? 32.571 -5.503 -4.044 1.00 34.64 ? 47 HIS D CG 1 ATOM 4718 N ND1 . HIS D 4 48 ? 31.262 -5.374 -3.632 1.00 36.44 ? 47 HIS D ND1 1 ATOM 4719 C CD2 . HIS D 4 48 ? 32.590 -5.153 -5.352 1.00 35.76 ? 47 HIS D CD2 1 ATOM 4720 C CE1 . HIS D 4 48 ? 30.525 -4.951 -4.644 1.00 38.62 ? 47 HIS D CE1 1 ATOM 4721 N NE2 . HIS D 4 48 ? 31.307 -4.810 -5.700 1.00 37.73 ? 47 HIS D NE2 1 ATOM 4722 N N . TYR D 4 49 ? 34.095 -6.393 -0.069 1.00 29.89 ? 48 TYR D N 1 ATOM 4723 C CA . TYR D 4 49 ? 34.724 -7.255 0.912 1.00 29.17 ? 48 TYR D CA 1 ATOM 4724 C C . TYR D 4 49 ? 33.852 -8.461 1.227 1.00 31.05 ? 48 TYR D C 1 ATOM 4725 O O . TYR D 4 49 ? 32.672 -8.496 0.861 1.00 32.89 ? 48 TYR D O 1 ATOM 4726 C CB . TYR D 4 49 ? 35.121 -6.478 2.171 1.00 27.68 ? 48 TYR D CB 1 ATOM 4727 C CG . TYR D 4 49 ? 33.993 -5.904 3.000 1.00 27.89 ? 48 TYR D CG 1 ATOM 4728 C CD1 . TYR D 4 49 ? 33.344 -4.729 2.625 1.00 28.07 ? 48 TYR D CD1 1 ATOM 4729 C CD2 . TYR D 4 49 ? 33.612 -6.510 4.195 1.00 28.07 ? 48 TYR D CD2 1 ATOM 4730 C CE1 . TYR D 4 49 ? 32.320 -4.190 3.407 1.00 29.00 ? 48 TYR D CE1 1 ATOM 4731 C CE2 . TYR D 4 49 ? 32.593 -5.978 4.984 1.00 28.38 ? 48 TYR D CE2 1 ATOM 4732 C CZ . TYR D 4 49 ? 31.952 -4.822 4.587 1.00 28.86 ? 48 TYR D CZ 1 ATOM 4733 O OH . TYR D 4 49 ? 30.951 -4.304 5.374 1.00 29.42 ? 48 TYR D OH 1 ATOM 4734 N N . SER D 4 50 ? 34.442 -9.454 1.889 1.00 31.02 ? 49 SER D N 1 ATOM 4735 C CA . SER D 4 50 ? 33.774 -10.728 2.114 1.00 33.06 ? 49 SER D CA 1 ATOM 4736 C C . SER D 4 50 ? 34.104 -11.310 3.481 1.00 32.75 ? 49 SER D C 1 ATOM 4737 O O . SER D 4 50 ? 35.275 -11.471 3.827 1.00 31.69 ? 49 SER D O 1 ATOM 4738 C CB . SER D 4 50 ? 34.165 -11.716 1.014 1.00 34.58 ? 49 SER D CB 1 ATOM 4739 O OG . SER D 4 50 ? 33.588 -12.986 1.243 1.00 37.47 ? 49 SER D OG 1 ATOM 4740 N N . TYR D 4 51 ? 33.064 -11.632 4.246 1.00 34.04 ? 50 TYR D N 1 ATOM 4741 C CA . TYR D 4 51 ? 33.232 -12.226 5.576 1.00 34.24 ? 50 TYR D CA 1 ATOM 4742 C C . TYR D 4 51 ? 33.355 -13.751 5.573 1.00 36.45 ? 50 TYR D C 1 ATOM 4743 O O . TYR D 4 51 ? 33.549 -14.361 6.625 1.00 37.05 ? 50 TYR D O 1 ATOM 4744 C CB . TYR D 4 51 ? 32.105 -11.788 6.512 1.00 34.67 ? 50 TYR D CB 1 ATOM 4745 C CG . TYR D 4 51 ? 32.279 -10.392 7.058 1.00 33.05 ? 50 TYR D CG 1 ATOM 4746 C CD1 . TYR D 4 51 ? 33.454 -10.023 7.720 1.00 31.18 ? 50 TYR D CD1 1 ATOM 4747 C CD2 . TYR D 4 51 ? 31.269 -9.439 6.926 1.00 33.52 ? 50 TYR D CD2 1 ATOM 4748 C CE1 . TYR D 4 51 ? 33.624 -8.745 8.225 1.00 29.74 ? 50 TYR D CE1 1 ATOM 4749 C CE2 . TYR D 4 51 ? 31.430 -8.151 7.440 1.00 32.37 ? 50 TYR D CE2 1 ATOM 4750 C CZ . TYR D 4 51 ? 32.612 -7.815 8.086 1.00 30.24 ? 50 TYR D CZ 1 ATOM 4751 O OH . TYR D 4 51 ? 32.790 -6.550 8.591 1.00 29.56 ? 50 TYR D OH 1 ATOM 4752 N N . GLY D 4 52 ? 33.251 -14.361 4.396 1.00 38.03 ? 51 GLY D N 1 ATOM 4753 C CA . GLY D 4 52 ? 33.383 -15.807 4.268 1.00 40.87 ? 51 GLY D CA 1 ATOM 4754 C C . GLY D 4 52 ? 32.851 -16.339 2.953 1.00 43.47 ? 51 GLY D C 1 ATOM 4755 O O . GLY D 4 52 ? 32.249 -15.600 2.170 1.00 43.22 ? 51 GLY D O 1 ATOM 4756 N N . ALA D 4 53 ? 33.067 -17.630 2.720 1.00 46.38 ? 52 ALA D N 1 ATOM 4757 C CA . ALA D 4 53 ? 32.678 -18.270 1.470 1.00 49.49 ? 52 ALA D CA 1 ATOM 4758 C C . ALA D 4 53 ? 31.205 -18.051 1.149 1.00 51.37 ? 52 ALA D C 1 ATOM 4759 O O . ALA D 4 53 ? 30.347 -18.148 2.027 1.00 52.30 ? 52 ALA D O 1 ATOM 4760 C CB . ALA D 4 53 ? 33.005 -19.754 1.507 1.00 53.14 ? 52 ALA D CB 1 ATOM 4761 N N . GLY D 4 54 ? 30.931 -17.733 -0.113 1.00 52.27 ? 53 GLY D N 1 ATOM 4762 C CA . GLY D 4 54 ? 29.564 -17.610 -0.613 1.00 54.98 ? 53 GLY D CA 1 ATOM 4763 C C . GLY D 4 54 ? 28.825 -16.376 -0.141 1.00 53.02 ? 53 GLY D C 1 ATOM 4764 O O . GLY D 4 54 ? 27.600 -16.396 -0.005 1.00 55.60 ? 53 GLY D O 1 ATOM 4765 N N . SER D 4 55 ? 29.568 -15.302 0.109 1.00 49.06 ? 54 SER D N 1 ATOM 4766 C CA . SER D 4 55 ? 28.986 -14.043 0.562 1.00 47.33 ? 54 SER D CA 1 ATOM 4767 C C . SER D 4 55 ? 29.898 -12.863 0.238 1.00 43.79 ? 54 SER D C 1 ATOM 4768 O O . SER D 4 55 ? 31.114 -12.934 0.424 1.00 41.75 ? 54 SER D O 1 ATOM 4769 C CB . SER D 4 55 ? 28.706 -14.095 2.064 1.00 46.88 ? 54 SER D CB 1 ATOM 4770 O OG . SER D 4 55 ? 29.895 -14.361 2.790 1.00 45.20 ? 54 SER D OG 1 ATOM 4771 N N . THR D 4 56 ? 29.301 -11.784 -0.260 1.00 43.49 ? 55 THR D N 1 ATOM 4772 C CA . THR D 4 56 ? 30.027 -10.551 -0.548 1.00 40.67 ? 55 THR D CA 1 ATOM 4773 C C . THR D 4 56 ? 29.245 -9.357 -0.012 1.00 40.33 ? 55 THR D C 1 ATOM 4774 O O . THR D 4 56 ? 28.015 -9.402 0.081 1.00 42.66 ? 55 THR D O 1 ATOM 4775 C CB . THR D 4 56 ? 30.276 -10.361 -2.060 1.00 41.27 ? 55 THR D CB 1 ATOM 4776 O OG1 . THR D 4 56 ? 29.026 -10.383 -2.759 1.00 44.58 ? 55 THR D OG1 1 ATOM 4777 C CG2 . THR D 4 56 ? 31.182 -11.460 -2.610 1.00 41.69 ? 55 THR D CG2 1 ATOM 4778 N N . GLU D 4 57 ? 29.967 -8.299 0.352 1.00 37.78 ? 56 GLU D N 1 ATOM 4779 C CA . GLU D 4 57 ? 29.357 -7.072 0.857 1.00 37.75 ? 56 GLU D CA 1 ATOM 4780 C C . GLU D 4 57 ? 29.936 -5.858 0.141 1.00 36.55 ? 56 GLU D C 1 ATOM 4781 O O . GLU D 4 57 ? 31.128 -5.820 -0.162 1.00 34.75 ? 56 GLU D O 1 ATOM 4782 C CB . GLU D 4 57 ? 29.558 -6.942 2.376 1.00 36.53 ? 56 GLU D CB 1 ATOM 4783 C CG . GLU D 4 57 ? 28.796 -7.967 3.232 1.00 38.26 ? 56 GLU D CG 1 ATOM 4784 C CD . GLU D 4 57 ? 27.273 -7.844 3.136 1.00 41.99 ? 56 GLU D CD 1 ATOM 4785 O OE1 . GLU D 4 57 ? 26.759 -6.739 2.849 1.00 42.84 ? 56 GLU D OE1 1 ATOM 4786 O OE2 . GLU D 4 57 ? 26.584 -8.863 3.359 1.00 44.27 ? 56 GLU D OE2 1 ATOM 4787 N N . LYS D 4 58 ? 29.087 -4.869 -0.128 1.00 38.10 ? 57 LYS D N 1 ATOM 4788 C CA . LYS D 4 58 ? 29.506 -3.645 -0.813 1.00 37.65 ? 57 LYS D CA 1 ATOM 4789 C C . LYS D 4 58 ? 30.437 -2.778 0.034 1.00 35.60 ? 57 LYS D C 1 ATOM 4790 O O . LYS D 4 58 ? 30.190 -2.555 1.222 1.00 35.46 ? 57 LYS D O 1 ATOM 4791 C CB . LYS D 4 58 ? 28.292 -2.834 -1.264 1.00 40.22 ? 57 LYS D CB 1 ATOM 4792 C CG . LYS D 4 58 ? 27.602 -3.401 -2.491 1.00 43.11 ? 57 LYS D CG 1 ATOM 4793 C CD . LYS D 4 58 ? 26.420 -2.543 -2.905 1.00 46.72 ? 57 LYS D CD 1 ATOM 4794 C CE . LYS D 4 58 ? 25.561 -3.246 -3.934 1.00 50.07 ? 57 LYS D CE 1 ATOM 4795 N NZ . LYS D 4 58 ? 24.177 -2.680 -3.962 1.00 54.77 ? 57 LYS D NZ 1 ATOM 4796 N N . GLY D 4 59 ? 31.509 -2.299 -0.594 1.00 34.42 ? 58 GLY D N 1 ATOM 4797 C CA . GLY D 4 59 ? 32.437 -1.366 0.044 1.00 33.21 ? 58 GLY D CA 1 ATOM 4798 C C . GLY D 4 59 ? 32.016 0.074 -0.178 1.00 34.77 ? 58 GLY D C 1 ATOM 4799 O O . GLY D 4 59 ? 30.831 0.358 -0.357 1.00 36.99 ? 58 GLY D O 1 ATOM 4800 N N . ASP D 4 60 ? 32.988 0.984 -0.170 1.00 34.16 ? 59 ASP D N 1 ATOM 4801 C CA . ASP D 4 60 ? 32.715 2.414 -0.343 1.00 35.97 ? 59 ASP D CA 1 ATOM 4802 C C . ASP D 4 60 ? 32.460 2.795 -1.796 1.00 37.24 ? 59 ASP D C 1 ATOM 4803 O O . ASP D 4 60 ? 31.609 3.639 -2.074 1.00 39.59 ? 59 ASP D O 1 ATOM 4804 C CB . ASP D 4 60 ? 33.852 3.258 0.241 1.00 35.41 ? 59 ASP D CB 1 ATOM 4805 C CG . ASP D 4 60 ? 33.923 3.178 1.761 1.00 35.61 ? 59 ASP D CG 1 ATOM 4806 O OD1 . ASP D 4 60 ? 32.859 3.170 2.428 1.00 38.01 ? 59 ASP D OD1 1 ATOM 4807 O OD2 . ASP D 4 60 ? 35.050 3.132 2.292 1.00 34.58 ? 59 ASP D OD2 1 ATOM 4808 N N . ILE D 4 61 ? 33.197 2.169 -2.714 1.00 36.06 ? 60 ILE D N 1 ATOM 4809 C CA . ILE D 4 61 ? 33.062 2.430 -4.156 1.00 37.38 ? 60 ILE D CA 1 ATOM 4810 C C . ILE D 4 61 ? 32.787 1.148 -4.962 1.00 37.25 ? 60 ILE D C 1 ATOM 4811 O O . ILE D 4 61 ? 33.640 0.701 -5.735 1.00 36.35 ? 60 ILE D O 1 ATOM 4812 C CB . ILE D 4 61 ? 34.306 3.162 -4.735 1.00 36.81 ? 60 ILE D CB 1 ATOM 4813 C CG1 . ILE D 4 61 ? 35.601 2.521 -4.226 1.00 34.30 ? 60 ILE D CG1 1 ATOM 4814 C CG2 . ILE D 4 61 ? 34.266 4.644 -4.390 1.00 38.51 ? 60 ILE D CG2 1 ATOM 4815 C CD1 . ILE D 4 61 ? 36.753 2.602 -5.201 1.00 33.96 ? 60 ILE D CD1 1 ATOM 4816 N N . PRO D 4 62 ? 31.581 0.566 -4.804 1.00 38.62 ? 61 PRO D N 1 ATOM 4817 C CA . PRO D 4 62 ? 31.317 -0.743 -5.406 1.00 38.80 ? 61 PRO D CA 1 ATOM 4818 C C . PRO D 4 62 ? 30.865 -0.704 -6.872 1.00 40.95 ? 61 PRO D C 1 ATOM 4819 O O . PRO D 4 62 ? 31.004 -1.707 -7.575 1.00 41.02 ? 61 PRO D O 1 ATOM 4820 C CB . PRO D 4 62 ? 30.208 -1.313 -4.515 1.00 39.77 ? 61 PRO D CB 1 ATOM 4821 C CG . PRO D 4 62 ? 29.498 -0.104 -3.948 1.00 41.19 ? 61 PRO D CG 1 ATOM 4822 C CD . PRO D 4 62 ? 30.382 1.109 -4.135 1.00 40.63 ? 61 PRO D CD 1 ATOM 4823 N N . ASP D 4 63 ? 30.344 0.437 -7.323 1.00 42.96 ? 62 ASP D N 1 ATOM 4824 C CA . ASP D 4 63 ? 29.779 0.561 -8.676 1.00 45.83 ? 62 ASP D CA 1 ATOM 4825 C C . ASP D 4 63 ? 30.736 0.150 -9.799 1.00 44.92 ? 62 ASP D C 1 ATOM 4826 O O . ASP D 4 63 ? 31.911 0.517 -9.797 1.00 42.89 ? 62 ASP D O 1 ATOM 4827 C CB . ASP D 4 63 ? 29.241 1.974 -8.920 1.00 48.27 ? 62 ASP D CB 1 ATOM 4828 C CG . ASP D 4 63 ? 27.966 2.253 -8.147 1.00 51.09 ? 62 ASP D CG 1 ATOM 4829 O OD1 . ASP D 4 63 ? 27.182 3.118 -8.592 1.00 54.83 ? 62 ASP D OD1 1 ATOM 4830 O OD2 . ASP D 4 63 ? 27.742 1.609 -7.097 1.00 50.84 ? 62 ASP D OD2 1 ATOM 4831 N N . GLY D 4 64 ? 30.209 -0.614 -10.751 1.00 46.87 ? 63 GLY D N 1 ATOM 4832 C CA . GLY D 4 64 ? 30.992 -1.109 -11.880 1.00 46.74 ? 63 GLY D CA 1 ATOM 4833 C C . GLY D 4 64 ? 31.616 -2.468 -11.621 1.00 45.08 ? 63 GLY D C 1 ATOM 4834 O O . GLY D 4 64 ? 32.032 -3.154 -12.555 1.00 45.81 ? 63 GLY D O 1 ATOM 4835 N N . TYR D 4 65 ? 31.676 -2.857 -10.349 1.00 43.22 ? 64 TYR D N 1 ATOM 4836 C CA . TYR D 4 65 ? 32.289 -4.121 -9.958 1.00 41.96 ? 64 TYR D CA 1 ATOM 4837 C C . TYR D 4 65 ? 31.281 -5.080 -9.336 1.00 43.20 ? 64 TYR D C 1 ATOM 4838 O O . TYR D 4 65 ? 30.359 -4.665 -8.631 1.00 43.84 ? 64 TYR D O 1 ATOM 4839 C CB . TYR D 4 65 ? 33.438 -3.889 -8.968 1.00 38.88 ? 64 TYR D CB 1 ATOM 4840 C CG . TYR D 4 65 ? 34.456 -2.857 -9.396 1.00 37.84 ? 64 TYR D CG 1 ATOM 4841 C CD1 . TYR D 4 65 ? 35.574 -3.219 -10.151 1.00 37.68 ? 64 TYR D CD1 1 ATOM 4842 C CD2 . TYR D 4 65 ? 34.311 -1.517 -9.033 1.00 37.62 ? 64 TYR D CD2 1 ATOM 4843 C CE1 . TYR D 4 65 ? 36.521 -2.264 -10.541 1.00 37.18 ? 64 TYR D CE1 1 ATOM 4844 C CE2 . TYR D 4 65 ? 35.244 -0.560 -9.414 1.00 37.19 ? 64 TYR D CE2 1 ATOM 4845 C CZ . TYR D 4 65 ? 36.345 -0.936 -10.168 1.00 36.95 ? 64 TYR D CZ 1 ATOM 4846 O OH . TYR D 4 65 ? 37.264 0.017 -10.539 1.00 36.69 ? 64 TYR D OH 1 ATOM 4847 N N . LYS D 4 66 ? 31.471 -6.365 -9.614 1.00 43.96 ? 65 LYS D N 1 ATOM 4848 C CA . LYS D 4 66 ? 30.764 -7.441 -8.928 1.00 45.06 ? 65 LYS D CA 1 ATOM 4849 C C . LYS D 4 66 ? 31.830 -8.306 -8.256 1.00 43.03 ? 65 LYS D C 1 ATOM 4850 O O . LYS D 4 66 ? 32.940 -8.448 -8.780 1.00 42.17 ? 65 LYS D O 1 ATOM 4851 C CB . LYS D 4 66 ? 29.938 -8.261 -9.924 1.00 48.89 ? 65 LYS D CB 1 ATOM 4852 C CG . LYS D 4 66 ? 28.878 -9.152 -9.295 1.00 51.21 ? 65 LYS D CG 1 ATOM 4853 N N . ALA D 4 67 ? 31.508 -8.866 -7.095 1.00 42.49 ? 66 ALA D N 1 ATOM 4854 C CA . ALA D 4 67 ? 32.479 -9.662 -6.349 1.00 40.92 ? 66 ALA D CA 1 ATOM 4855 C C . ALA D 4 67 ? 32.005 -11.095 -6.180 1.00 43.39 ? 66 ALA D C 1 ATOM 4856 O O . ALA D 4 67 ? 30.802 -11.351 -6.120 1.00 45.86 ? 66 ALA D O 1 ATOM 4857 C CB . ALA D 4 67 ? 32.759 -9.029 -4.998 1.00 38.22 ? 66 ALA D CB 1 ATOM 4858 N N . SER D 4 68 ? 32.955 -12.025 -6.106 1.00 43.25 ? 67 SER D N 1 ATOM 4859 C CA . SER D 4 68 ? 32.634 -13.444 -5.954 1.00 46.02 ? 67 SER D CA 1 ATOM 4860 C C . SER D 4 68 ? 33.543 -14.134 -4.943 1.00 44.87 ? 67 SER D C 1 ATOM 4861 O O . SER D 4 68 ? 34.768 -14.009 -5.007 1.00 43.36 ? 67 SER D O 1 ATOM 4862 C CB . SER D 4 68 ? 32.709 -14.160 -7.303 1.00 49.02 ? 67 SER D CB 1 ATOM 4863 O OG . SER D 4 68 ? 32.531 -15.556 -7.150 1.00 52.17 ? 67 SER D OG 1 ATOM 4864 N N . ARG D 4 69 ? 32.934 -14.859 -4.011 1.00 46.02 ? 68 ARG D N 1 ATOM 4865 C CA . ARG D 4 69 ? 33.680 -15.638 -3.031 1.00 45.64 ? 68 ARG D CA 1 ATOM 4866 C C . ARG D 4 69 ? 33.303 -17.118 -3.154 1.00 49.82 ? 68 ARG D C 1 ATOM 4867 O O . ARG D 4 69 ? 32.464 -17.613 -2.393 1.00 51.31 ? 68 ARG D O 1 ATOM 4868 C CB . ARG D 4 69 ? 33.428 -15.107 -1.612 1.00 43.35 ? 68 ARG D CB 1 ATOM 4869 C CG . ARG D 4 69 ? 34.330 -15.698 -0.534 1.00 42.31 ? 68 ARG D CG 1 ATOM 4870 C CD . ARG D 4 69 ? 35.689 -15.026 -0.478 1.00 39.42 ? 68 ARG D CD 1 ATOM 4871 N NE . ARG D 4 69 ? 36.582 -15.691 0.471 1.00 39.72 ? 68 ARG D NE 1 ATOM 4872 C CZ . ARG D 4 69 ? 36.671 -15.397 1.767 1.00 38.01 ? 68 ARG D CZ 1 ATOM 4873 N NH1 . ARG D 4 69 ? 35.921 -14.438 2.299 1.00 36.34 ? 68 ARG D NH1 1 ATOM 4874 N NH2 . ARG D 4 69 ? 37.516 -16.067 2.537 1.00 38.39 ? 68 ARG D NH2 1 ATOM 4875 N N . PRO D 4 70 ? 33.919 -17.829 -4.124 1.00 52.02 ? 69 PRO D N 1 ATOM 4876 C CA . PRO D 4 70 ? 33.591 -19.236 -4.375 1.00 56.75 ? 69 PRO D CA 1 ATOM 4877 C C . PRO D 4 70 ? 34.029 -20.153 -3.234 1.00 57.65 ? 69 PRO D C 1 ATOM 4878 O O . PRO D 4 70 ? 33.411 -21.195 -3.008 1.00 61.43 ? 69 PRO D O 1 ATOM 4879 C CB . PRO D 4 70 ? 34.386 -19.564 -5.650 1.00 58.34 ? 69 PRO D CB 1 ATOM 4880 C CG . PRO D 4 70 ? 34.795 -18.242 -6.219 1.00 54.71 ? 69 PRO D CG 1 ATOM 4881 C CD . PRO D 4 70 ? 34.973 -17.357 -5.036 1.00 50.61 ? 69 PRO D CD 1 ATOM 4882 N N . SER D 4 71 ? 35.084 -19.754 -2.527 1.00 54.60 ? 70 SER D N 1 ATOM 4883 C CA . SER D 4 71 ? 35.660 -20.544 -1.448 1.00 55.48 ? 70 SER D CA 1 ATOM 4884 C C . SER D 4 71 ? 36.423 -19.655 -0.475 1.00 51.38 ? 70 SER D C 1 ATOM 4885 O O . SER D 4 71 ? 36.627 -18.468 -0.730 1.00 48.13 ? 70 SER D O 1 ATOM 4886 C CB . SER D 4 71 ? 36.610 -21.595 -2.021 1.00 58.73 ? 70 SER D CB 1 ATOM 4887 O OG . SER D 4 71 ? 37.753 -20.980 -2.590 1.00 56.75 ? 70 SER D OG 1 ATOM 4888 N N . GLN D 4 72 ? 36.849 -20.251 0.634 1.00 52.08 ? 71 GLN D N 1 ATOM 4889 C CA . GLN D 4 72 ? 37.673 -19.580 1.635 1.00 49.11 ? 71 GLN D CA 1 ATOM 4890 C C . GLN D 4 72 ? 38.945 -18.999 1.017 1.00 47.51 ? 71 GLN D C 1 ATOM 4891 O O . GLN D 4 72 ? 39.357 -17.890 1.360 1.00 44.21 ? 71 GLN D O 1 ATOM 4892 C CB . GLN D 4 72 ? 38.031 -20.569 2.752 1.00 51.12 ? 71 GLN D CB 1 ATOM 4893 C CG . GLN D 4 72 ? 38.819 -19.984 3.920 1.00 48.86 ? 71 GLN D CG 1 ATOM 4894 C CD . GLN D 4 72 ? 37.948 -19.271 4.942 1.00 47.19 ? 71 GLN D CD 1 ATOM 4895 O OE1 . GLN D 4 72 ? 36.826 -18.858 4.648 1.00 47.31 ? 71 GLN D OE1 1 ATOM 4896 N NE2 . GLN D 4 72 ? 38.469 -19.123 6.154 1.00 46.12 ? 71 GLN D NE2 1 ATOM 4897 N N . GLU D 4 73 ? 39.542 -19.751 0.094 1.00 50.40 ? 72 GLU D N 1 ATOM 4898 C CA . GLU D 4 73 ? 40.842 -19.414 -0.488 1.00 49.90 ? 72 GLU D CA 1 ATOM 4899 C C . GLU D 4 73 ? 40.786 -18.247 -1.484 1.00 47.62 ? 72 GLU D C 1 ATOM 4900 O O . GLU D 4 73 ? 41.674 -17.386 -1.495 1.00 45.45 ? 72 GLU D O 1 ATOM 4901 C CB . GLU D 4 73 ? 41.464 -20.648 -1.156 1.00 54.25 ? 72 GLU D CB 1 ATOM 4902 C CG . GLU D 4 73 ? 41.599 -21.873 -0.247 1.00 57.56 ? 72 GLU D CG 1 ATOM 4903 N N . ASN D 4 74 ? 39.740 -18.213 -2.308 1.00 48.44 ? 73 ASN D N 1 ATOM 4904 C CA . ASN D 4 74 ? 39.665 -17.239 -3.398 1.00 46.86 ? 73 ASN D CA 1 ATOM 4905 C C . ASN D 4 74 ? 38.597 -16.154 -3.256 1.00 44.35 ? 73 ASN D C 1 ATOM 4906 O O . ASN D 4 74 ? 37.450 -16.427 -2.895 1.00 45.34 ? 73 ASN D O 1 ATOM 4907 C CB . ASN D 4 74 ? 39.513 -17.959 -4.741 1.00 50.22 ? 73 ASN D CB 1 ATOM 4908 C CG . ASN D 4 74 ? 40.675 -18.889 -5.035 1.00 53.04 ? 73 ASN D CG 1 ATOM 4909 O OD1 . ASN D 4 74 ? 41.830 -18.464 -5.084 1.00 51.80 ? 73 ASN D OD1 1 ATOM 4910 N ND2 . ASN D 4 74 ? 40.373 -20.168 -5.235 1.00 57.69 ? 73 ASN D ND2 1 ATOM 4911 N N . PHE D 4 75 ? 39.000 -14.920 -3.542 1.00 41.50 ? 74 PHE D N 1 ATOM 4912 C CA . PHE D 4 75 ? 38.082 -13.796 -3.663 1.00 39.57 ? 74 PHE D CA 1 ATOM 4913 C C . PHE D 4 75 ? 38.330 -13.175 -5.022 1.00 39.58 ? 74 PHE D C 1 ATOM 4914 O O . PHE D 4 75 ? 39.477 -12.915 -5.392 1.00 39.10 ? 74 PHE D O 1 ATOM 4915 C CB . PHE D 4 75 ? 38.329 -12.770 -2.553 1.00 36.48 ? 74 PHE D CB 1 ATOM 4916 C CG . PHE D 4 75 ? 37.223 -11.755 -2.383 1.00 35.04 ? 74 PHE D CG 1 ATOM 4917 C CD1 . PHE D 4 75 ? 35.901 -12.064 -2.709 1.00 36.52 ? 74 PHE D CD1 1 ATOM 4918 C CD2 . PHE D 4 75 ? 37.501 -10.497 -1.848 1.00 32.27 ? 74 PHE D CD2 1 ATOM 4919 C CE1 . PHE D 4 75 ? 34.884 -11.126 -2.539 1.00 35.65 ? 74 PHE D CE1 1 ATOM 4920 C CE2 . PHE D 4 75 ? 36.491 -9.553 -1.667 1.00 31.35 ? 74 PHE D CE2 1 ATOM 4921 C CZ . PHE D 4 75 ? 35.181 -9.868 -2.012 1.00 33.38 ? 74 PHE D CZ 1 ATOM 4922 N N . SER D 4 76 ? 37.261 -12.956 -5.776 1.00 40.55 ? 75 SER D N 1 ATOM 4923 C CA . SER D 4 76 ? 37.392 -12.410 -7.120 1.00 40.86 ? 75 SER D CA 1 ATOM 4924 C C . SER D 4 76 ? 36.692 -11.072 -7.298 1.00 39.28 ? 75 SER D C 1 ATOM 4925 O O . SER D 4 76 ? 35.633 -10.821 -6.712 1.00 39.20 ? 75 SER D O 1 ATOM 4926 C CB . SER D 4 76 ? 36.900 -13.412 -8.162 1.00 44.43 ? 75 SER D CB 1 ATOM 4927 O OG . SER D 4 76 ? 37.845 -14.452 -8.318 1.00 46.41 ? 75 SER D OG 1 ATOM 4928 N N . LEU D 4 77 ? 37.314 -10.219 -8.107 1.00 38.24 ? 76 LEU D N 1 ATOM 4929 C CA . LEU D 4 77 ? 36.726 -8.968 -8.542 1.00 37.52 ? 76 LEU D CA 1 ATOM 4930 C C . LEU D 4 77 ? 36.360 -9.117 -10.017 1.00 40.06 ? 76 LEU D C 1 ATOM 4931 O O . LEU D 4 77 ? 37.220 -9.426 -10.848 1.00 40.85 ? 76 LEU D O 1 ATOM 4932 C CB . LEU D 4 77 ? 37.722 -7.830 -8.341 1.00 35.06 ? 76 LEU D CB 1 ATOM 4933 C CG . LEU D 4 77 ? 37.182 -6.407 -8.269 1.00 33.95 ? 76 LEU D CG 1 ATOM 4934 C CD1 . LEU D 4 77 ? 36.434 -6.180 -6.966 1.00 33.06 ? 76 LEU D CD1 1 ATOM 4935 C CD2 . LEU D 4 77 ? 38.326 -5.426 -8.397 1.00 32.53 ? 76 LEU D CD2 1 ATOM 4936 N N . ILE D 4 78 ? 35.083 -8.924 -10.338 1.00 41.67 ? 77 ILE D N 1 ATOM 4937 C CA . ILE D 4 78 ? 34.611 -9.094 -11.712 1.00 44.71 ? 77 ILE D CA 1 ATOM 4938 C C . ILE D 4 78 ? 34.087 -7.789 -12.320 1.00 44.92 ? 77 ILE D C 1 ATOM 4939 O O . ILE D 4 78 ? 33.093 -7.221 -11.850 1.00 45.23 ? 77 ILE D O 1 ATOM 4940 C CB . ILE D 4 78 ? 33.542 -10.218 -11.825 1.00 48.00 ? 77 ILE D CB 1 ATOM 4941 C CG1 . ILE D 4 78 ? 34.105 -11.547 -11.304 1.00 48.70 ? 77 ILE D CG1 1 ATOM 4942 C CG2 . ILE D 4 78 ? 33.060 -10.364 -13.269 1.00 50.84 ? 77 ILE D CG2 1 ATOM 4943 C CD1 . ILE D 4 78 ? 33.044 -12.545 -10.855 1.00 51.65 ? 77 ILE D CD1 1 ATOM 4944 N N . LEU D 4 79 ? 34.773 -7.330 -13.365 1.00 45.06 ? 78 LEU D N 1 ATOM 4945 C CA . LEU D 4 79 ? 34.356 -6.171 -14.142 1.00 45.89 ? 78 LEU D CA 1 ATOM 4946 C C . LEU D 4 79 ? 33.688 -6.672 -15.417 1.00 49.66 ? 78 LEU D C 1 ATOM 4947 O O . LEU D 4 79 ? 34.366 -7.069 -16.371 1.00 50.63 ? 78 LEU D O 1 ATOM 4948 C CB . LEU D 4 79 ? 35.560 -5.291 -14.500 1.00 44.25 ? 78 LEU D CB 1 ATOM 4949 C CG . LEU D 4 79 ? 36.448 -4.657 -13.424 1.00 41.07 ? 78 LEU D CG 1 ATOM 4950 C CD1 . LEU D 4 79 ? 37.401 -5.655 -12.783 1.00 39.54 ? 78 LEU D CD1 1 ATOM 4951 C CD2 . LEU D 4 79 ? 37.238 -3.524 -14.039 1.00 40.81 ? 78 LEU D CD2 1 ATOM 4952 N N . GLU D 4 80 ? 32.356 -6.662 -15.419 1.00 52.11 ? 79 GLU D N 1 ATOM 4953 C CA . GLU D 4 80 ? 31.563 -7.177 -16.539 1.00 56.39 ? 79 GLU D CA 1 ATOM 4954 C C . GLU D 4 80 ? 31.773 -6.351 -17.803 1.00 57.72 ? 79 GLU D C 1 ATOM 4955 O O . GLU D 4 80 ? 32.170 -6.884 -18.840 1.00 59.81 ? 79 GLU D O 1 ATOM 4956 C CB . GLU D 4 80 ? 30.075 -7.222 -16.174 1.00 58.81 ? 79 GLU D CB 1 ATOM 4957 C CG . GLU D 4 80 ? 29.739 -8.123 -14.981 1.00 58.61 ? 79 GLU D CG 1 ATOM 4958 C CD . GLU D 4 80 ? 29.647 -9.601 -15.344 1.00 61.96 ? 79 GLU D CD 1 ATOM 4959 O OE1 . GLU D 4 80 ? 29.795 -9.945 -16.540 1.00 65.03 ? 79 GLU D OE1 1 ATOM 4960 O OE2 . GLU D 4 80 ? 29.415 -10.419 -14.427 1.00 61.74 ? 79 GLU D OE2 1 ATOM 4961 N N . LEU D 4 81 ? 31.509 -5.050 -17.708 1.00 57.02 ? 80 LEU D N 1 ATOM 4962 C CA . LEU D 4 81 ? 31.746 -4.129 -18.815 1.00 58.21 ? 80 LEU D CA 1 ATOM 4963 C C . LEU D 4 81 ? 32.818 -3.122 -18.410 1.00 55.00 ? 80 LEU D C 1 ATOM 4964 O O . LEU D 4 81 ? 32.526 -2.086 -17.805 1.00 54.23 ? 80 LEU D O 1 ATOM 4965 C CB . LEU D 4 81 ? 30.447 -3.429 -19.234 1.00 61.34 ? 80 LEU D CB 1 ATOM 4966 C CG . LEU D 4 81 ? 29.244 -4.327 -19.560 1.00 65.38 ? 80 LEU D CG 1 ATOM 4967 C CD1 . LEU D 4 81 ? 27.966 -3.506 -19.714 1.00 68.41 ? 80 LEU D CD1 1 ATOM 4968 C CD2 . LEU D 4 81 ? 29.490 -5.190 -20.799 1.00 68.07 ? 80 LEU D CD2 1 ATOM 4969 N N . ALA D 4 82 ? 34.066 -3.450 -18.737 1.00 53.65 ? 81 ALA D N 1 ATOM 4970 C CA . ALA D 4 82 ? 35.213 -2.638 -18.350 1.00 50.85 ? 81 ALA D CA 1 ATOM 4971 C C . ALA D 4 82 ? 35.207 -1.287 -19.048 1.00 51.96 ? 81 ALA D C 1 ATOM 4972 O O . ALA D 4 82 ? 34.985 -1.200 -20.257 1.00 54.77 ? 81 ALA D O 1 ATOM 4973 C CB . ALA D 4 82 ? 36.507 -3.380 -18.633 1.00 49.99 ? 81 ALA D CB 1 ATOM 4974 N N . THR D 4 83 ? 35.434 -0.235 -18.271 1.00 50.26 ? 82 THR D N 1 ATOM 4975 C CA . THR D 4 83 ? 35.514 1.120 -18.801 1.00 51.53 ? 82 THR D CA 1 ATOM 4976 C C . THR D 4 83 ? 36.907 1.687 -18.520 1.00 49.55 ? 82 THR D C 1 ATOM 4977 O O . THR D 4 83 ? 37.603 1.190 -17.629 1.00 47.10 ? 82 THR D O 1 ATOM 4978 C CB . THR D 4 83 ? 34.429 2.039 -18.181 1.00 52.42 ? 82 THR D CB 1 ATOM 4979 O OG1 . THR D 4 83 ? 34.524 2.002 -16.752 1.00 50.29 ? 82 THR D OG1 1 ATOM 4980 C CG2 . THR D 4 83 ? 33.032 1.597 -18.605 1.00 55.16 ? 82 THR D CG2 1 ATOM 4981 N N . PRO D 4 84 ? 37.325 2.721 -19.280 1.00 51.00 ? 83 PRO D N 1 ATOM 4982 C CA . PRO D 4 84 ? 38.618 3.382 -19.059 1.00 49.78 ? 83 PRO D CA 1 ATOM 4983 C C . PRO D 4 84 ? 38.804 3.903 -17.633 1.00 47.74 ? 83 PRO D C 1 ATOM 4984 O O . PRO D 4 84 ? 39.932 3.929 -17.137 1.00 46.33 ? 83 PRO D O 1 ATOM 4985 C CB . PRO D 4 84 ? 38.579 4.558 -20.034 1.00 52.56 ? 83 PRO D CB 1 ATOM 4986 C CG . PRO D 4 84 ? 37.671 4.112 -21.115 1.00 55.08 ? 83 PRO D CG 1 ATOM 4987 C CD . PRO D 4 84 ? 36.622 3.281 -20.449 1.00 54.33 ? 83 PRO D CD 1 ATOM 4988 N N . SER D 4 85 ? 37.706 4.301 -16.987 1.00 47.93 ? 84 SER D N 1 ATOM 4989 C CA . SER D 4 85 ? 37.738 4.839 -15.625 1.00 46.32 ? 84 SER D CA 1 ATOM 4990 C C . SER D 4 85 ? 38.140 3.794 -14.583 1.00 43.47 ? 84 SER D C 1 ATOM 4991 O O . SER D 4 85 ? 38.279 4.110 -13.395 1.00 42.17 ? 84 SER D O 1 ATOM 4992 C CB . SER D 4 85 ? 36.376 5.432 -15.252 1.00 47.94 ? 84 SER D CB 1 ATOM 4993 O OG . SER D 4 85 ? 35.487 4.428 -14.789 1.00 46.90 ? 84 SER D OG 1 ATOM 4994 N N . GLN D 4 86 ? 38.308 2.553 -15.031 1.00 42.80 ? 85 GLN D N 1 ATOM 4995 C CA . GLN D 4 86 ? 38.695 1.454 -14.153 1.00 40.44 ? 85 GLN D CA 1 ATOM 4996 C C . GLN D 4 86 ? 40.168 1.087 -14.328 1.00 39.40 ? 85 GLN D C 1 ATOM 4997 O O . GLN D 4 86 ? 40.653 0.135 -13.722 1.00 37.97 ? 85 GLN D O 1 ATOM 4998 C CB . GLN D 4 86 ? 37.779 0.246 -14.369 1.00 41.07 ? 85 GLN D CB 1 ATOM 4999 C CG . GLN D 4 86 ? 36.341 0.491 -13.916 1.00 42.33 ? 85 GLN D CG 1 ATOM 5000 C CD . GLN D 4 86 ? 35.390 -0.632 -14.287 1.00 44.13 ? 85 GLN D CD 1 ATOM 5001 O OE1 . GLN D 4 86 ? 35.306 -1.038 -15.448 1.00 46.07 ? 85 GLN D OE1 1 ATOM 5002 N NE2 . GLN D 4 86 ? 34.658 -1.134 -13.298 1.00 43.75 ? 85 GLN D NE2 1 ATOM 5003 N N . THR D 4 87 ? 40.868 1.850 -15.163 1.00 40.55 ? 86 THR D N 1 ATOM 5004 C CA . THR D 4 87 ? 42.320 1.796 -15.231 1.00 40.12 ? 86 THR D CA 1 ATOM 5005 C C . THR D 4 87 ? 42.848 2.241 -13.877 1.00 38.63 ? 86 THR D C 1 ATOM 5006 O O . THR D 4 87 ? 42.694 3.403 -13.492 1.00 39.08 ? 86 THR D O 1 ATOM 5007 C CB . THR D 4 87 ? 42.876 2.724 -16.328 1.00 42.16 ? 86 THR D CB 1 ATOM 5008 O OG1 . THR D 4 87 ? 42.358 2.324 -17.602 1.00 43.98 ? 86 THR D OG1 1 ATOM 5009 C CG2 . THR D 4 87 ? 44.400 2.675 -16.361 1.00 41.94 ? 86 THR D CG2 1 ATOM 5010 N N . SER D 4 88 ? 43.447 1.301 -13.153 1.00 37.28 ? 87 SER D N 1 ATOM 5011 C CA . SER D 4 88 ? 43.911 1.537 -11.790 1.00 35.98 ? 87 SER D CA 1 ATOM 5012 C C . SER D 4 88 ? 44.856 0.425 -11.340 1.00 35.16 ? 87 SER D C 1 ATOM 5013 O O . SER D 4 88 ? 45.129 -0.512 -12.096 1.00 35.98 ? 87 SER D O 1 ATOM 5014 C CB . SER D 4 88 ? 42.712 1.621 -10.840 1.00 34.94 ? 87 SER D CB 1 ATOM 5015 O OG . SER D 4 88 ? 43.106 2.063 -9.554 1.00 34.32 ? 87 SER D OG 1 ATOM 5016 N N . VAL D 4 89 ? 45.366 0.547 -10.118 1.00 34.03 ? 88 VAL D N 1 ATOM 5017 C CA . VAL D 4 89 ? 46.086 -0.541 -9.470 1.00 33.28 ? 88 VAL D CA 1 ATOM 5018 C C . VAL D 4 89 ? 45.165 -1.115 -8.402 1.00 31.80 ? 88 VAL D C 1 ATOM 5019 O O . VAL D 4 89 ? 44.617 -0.375 -7.584 1.00 31.25 ? 88 VAL D O 1 ATOM 5020 C CB . VAL D 4 89 ? 47.421 -0.076 -8.844 1.00 33.85 ? 88 VAL D CB 1 ATOM 5021 C CG1 . VAL D 4 89 ? 48.144 -1.241 -8.186 1.00 33.38 ? 88 VAL D CG1 1 ATOM 5022 C CG2 . VAL D 4 89 ? 48.313 0.556 -9.900 1.00 35.70 ? 88 VAL D CG2 1 ATOM 5023 N N . TYR D 4 90 ? 44.987 -2.432 -8.427 1.00 31.53 ? 89 TYR D N 1 ATOM 5024 C CA . TYR D 4 90 ? 44.072 -3.105 -7.521 1.00 30.35 ? 89 TYR D CA 1 ATOM 5025 C C . TYR D 4 90 ? 44.825 -3.990 -6.537 1.00 30.12 ? 89 TYR D C 1 ATOM 5026 O O . TYR D 4 90 ? 45.589 -4.867 -6.941 1.00 31.15 ? 89 TYR D O 1 ATOM 5027 C CB . TYR D 4 90 ? 43.065 -3.939 -8.313 1.00 30.92 ? 89 TYR D CB 1 ATOM 5028 C CG . TYR D 4 90 ? 42.152 -3.135 -9.212 1.00 31.51 ? 89 TYR D CG 1 ATOM 5029 C CD1 . TYR D 4 90 ? 42.568 -2.723 -10.483 1.00 32.67 ? 89 TYR D CD1 1 ATOM 5030 C CD2 . TYR D 4 90 ? 40.865 -2.799 -8.803 1.00 31.30 ? 89 TYR D CD2 1 ATOM 5031 C CE1 . TYR D 4 90 ? 41.728 -1.989 -11.314 1.00 32.98 ? 89 TYR D CE1 1 ATOM 5032 C CE2 . TYR D 4 90 ? 40.017 -2.066 -9.627 1.00 32.27 ? 89 TYR D CE2 1 ATOM 5033 C CZ . TYR D 4 90 ? 40.456 -1.667 -10.879 1.00 33.19 ? 89 TYR D CZ 1 ATOM 5034 O OH . TYR D 4 90 ? 39.616 -0.946 -11.690 1.00 34.95 ? 89 TYR D OH 1 ATOM 5035 N N . PHE D 4 91 ? 44.605 -3.753 -5.248 1.00 29.24 ? 90 PHE D N 1 ATOM 5036 C CA . PHE D 4 91 ? 45.207 -4.567 -4.195 1.00 29.24 ? 90 PHE D CA 1 ATOM 5037 C C . PHE D 4 91 ? 44.162 -5.445 -3.526 1.00 29.02 ? 90 PHE D C 1 ATOM 5038 O O . PHE D 4 91 ? 43.042 -5.006 -3.270 1.00 28.45 ? 90 PHE D O 1 ATOM 5039 C CB . PHE D 4 91 ? 45.872 -3.688 -3.132 1.00 28.71 ? 90 PHE D CB 1 ATOM 5040 C CG . PHE D 4 91 ? 47.134 -3.019 -3.592 1.00 29.17 ? 90 PHE D CG 1 ATOM 5041 C CD1 . PHE D 4 91 ? 47.098 -1.748 -4.158 1.00 28.88 ? 90 PHE D CD1 1 ATOM 5042 C CD2 . PHE D 4 91 ? 48.363 -3.651 -3.442 1.00 29.84 ? 90 PHE D CD2 1 ATOM 5043 C CE1 . PHE D 4 91 ? 48.265 -1.124 -4.579 1.00 29.95 ? 90 PHE D CE1 1 ATOM 5044 C CE2 . PHE D 4 91 ? 49.540 -3.034 -3.862 1.00 30.87 ? 90 PHE D CE2 1 ATOM 5045 C CZ . PHE D 4 91 ? 49.490 -1.770 -4.433 1.00 31.06 ? 90 PHE D CZ 1 ATOM 5046 N N . CYS D 4 92 ? 44.544 -6.685 -3.242 1.00 30.09 ? 91 CYS D N 1 ATOM 5047 C CA . CYS D 4 92 ? 43.722 -7.599 -2.459 1.00 30.36 ? 91 CYS D CA 1 ATOM 5048 C C . CYS D 4 92 ? 44.322 -7.803 -1.069 1.00 29.77 ? 91 CYS D C 1 ATOM 5049 O O . CYS D 4 92 ? 45.540 -7.703 -0.893 1.00 30.31 ? 91 CYS D O 1 ATOM 5050 C CB . CYS D 4 92 ? 43.612 -8.945 -3.166 1.00 32.24 ? 91 CYS D CB 1 ATOM 5051 S SG . CYS D 4 92 ? 42.647 -10.142 -2.231 1.00 35.46 ? 91 CYS D SG 1 ATOM 5052 N N . ALA D 4 93 ? 43.470 -8.098 -0.089 1.00 28.96 ? 92 ALA D N 1 ATOM 5053 C CA . ALA D 4 93 ? 43.927 -8.338 1.287 1.00 28.75 ? 92 ALA D CA 1 ATOM 5054 C C . ALA D 4 93 ? 43.064 -9.350 2.025 1.00 28.99 ? 92 ALA D C 1 ATOM 5055 O O . ALA D 4 93 ? 41.889 -9.521 1.700 1.00 29.02 ? 92 ALA D O 1 ATOM 5056 C CB . ALA D 4 93 ? 43.994 -7.030 2.073 1.00 27.53 ? 92 ALA D CB 1 ATOM 5057 N N . SER D 4 94 ? 43.658 -10.015 3.016 1.00 29.47 ? 93 SER D N 1 ATOM 5058 C CA . SER D 4 94 ? 42.926 -10.933 3.889 1.00 29.95 ? 93 SER D CA 1 ATOM 5059 C C . SER D 4 94 ? 43.283 -10.726 5.358 1.00 29.62 ? 93 SER D C 1 ATOM 5060 O O . SER D 4 94 ? 44.327 -10.149 5.677 1.00 29.50 ? 93 SER D O 1 ATOM 5061 C CB . SER D 4 94 ? 43.170 -12.391 3.485 1.00 32.19 ? 93 SER D CB 1 ATOM 5062 O OG . SER D 4 94 ? 44.459 -12.835 3.874 1.00 33.59 ? 93 SER D OG 1 ATOM 5063 N N . GLY D 4 95 ? 42.408 -11.198 6.244 1.00 29.75 ? 94 GLY D N 1 ATOM 5064 C CA . GLY D 4 95 ? 42.633 -11.124 7.686 1.00 29.96 ? 94 GLY D CA 1 ATOM 5065 C C . GLY D 4 95 ? 41.718 -12.042 8.475 1.00 31.00 ? 94 GLY D C 1 ATOM 5066 O O . GLY D 4 95 ? 40.625 -12.375 8.023 1.00 31.34 ? 94 GLY D O 1 ATOM 5067 N N . ASP D 4 96 ? 42.165 -12.467 9.655 1.00 32.00 ? 95 ASP D N 1 ATOM 5068 C CA . ASP D 4 96 ? 41.291 -13.202 10.568 1.00 32.92 ? 95 ASP D CA 1 ATOM 5069 C C . ASP D 4 96 ? 40.508 -12.214 11.439 1.00 31.65 ? 95 ASP D C 1 ATOM 5070 O O . ASP D 4 96 ? 40.215 -11.101 10.992 1.00 29.93 ? 95 ASP D O 1 ATOM 5071 C CB . ASP D 4 96 ? 42.066 -14.242 11.397 1.00 35.09 ? 95 ASP D CB 1 ATOM 5072 C CG . ASP D 4 96 ? 43.204 -13.639 12.211 1.00 35.38 ? 95 ASP D CG 1 ATOM 5073 O OD1 . ASP D 4 96 ? 44.147 -14.392 12.535 1.00 37.77 ? 95 ASP D OD1 1 ATOM 5074 O OD2 . ASP D 4 96 ? 43.164 -12.433 12.539 1.00 34.44 ? 95 ASP D OD2 1 ATOM 5075 N N . GLU D 4 97 ? 40.180 -12.605 12.670 1.00 32.60 ? 96 GLU D N 1 ATOM 5076 C CA . GLU D 4 97 ? 39.369 -11.757 13.547 1.00 32.00 ? 96 GLU D CA 1 ATOM 5077 C C . GLU D 4 97 ? 40.079 -10.467 13.991 1.00 30.97 ? 96 GLU D C 1 ATOM 5078 O O . GLU D 4 97 ? 39.420 -9.503 14.385 1.00 30.41 ? 96 GLU D O 1 ATOM 5079 C CB . GLU D 4 97 ? 38.821 -12.546 14.747 1.00 33.52 ? 96 GLU D CB 1 ATOM 5080 C CG . GLU D 4 97 ? 39.863 -13.060 15.737 1.00 35.68 ? 96 GLU D CG 1 ATOM 5081 C CD . GLU D 4 97 ? 40.475 -14.399 15.346 1.00 38.87 ? 96 GLU D CD 1 ATOM 5082 O OE1 . GLU D 4 97 ? 41.252 -14.944 16.160 1.00 40.62 ? 96 GLU D OE1 1 ATOM 5083 O OE2 . GLU D 4 97 ? 40.190 -14.909 14.237 1.00 40.06 ? 96 GLU D OE2 1 ATOM 5084 N N . GLY D 4 98 ? 41.409 -10.449 13.903 1.00 31.16 ? 97 GLY D N 1 ATOM 5085 C CA . GLY D 4 98 ? 42.202 -9.274 14.269 1.00 30.80 ? 97 GLY D CA 1 ATOM 5086 C C . GLY D 4 98 ? 42.091 -8.121 13.284 1.00 29.52 ? 97 GLY D C 1 ATOM 5087 O O . GLY D 4 98 ? 41.448 -8.242 12.241 1.00 28.91 ? 97 GLY D O 1 ATOM 5088 N N . TYR D 4 99 ? 42.724 -6.996 13.612 1.00 29.61 ? 98 TYR D N 1 ATOM 5089 C CA . TYR D 4 99 ? 42.671 -5.807 12.754 1.00 28.57 ? 98 TYR D CA 1 ATOM 5090 C C . TYR D 4 99 ? 43.634 -5.834 11.555 1.00 28.49 ? 98 TYR D C 1 ATOM 5091 O O . TYR D 4 99 ? 43.408 -5.123 10.575 1.00 28.02 ? 98 TYR D O 1 ATOM 5092 C CB . TYR D 4 99 ? 42.853 -4.513 13.570 1.00 29.09 ? 98 TYR D CB 1 ATOM 5093 C CG . TYR D 4 99 ? 44.177 -4.369 14.295 1.00 30.10 ? 98 TYR D CG 1 ATOM 5094 C CD1 . TYR D 4 99 ? 44.251 -4.505 15.682 1.00 31.09 ? 98 TYR D CD1 1 ATOM 5095 C CD2 . TYR D 4 99 ? 45.353 -4.075 13.602 1.00 30.06 ? 98 TYR D CD2 1 ATOM 5096 C CE1 . TYR D 4 99 ? 45.462 -4.364 16.358 1.00 32.66 ? 98 TYR D CE1 1 ATOM 5097 C CE2 . TYR D 4 99 ? 46.568 -3.937 14.266 1.00 31.70 ? 98 TYR D CE2 1 ATOM 5098 C CZ . TYR D 4 99 ? 46.617 -4.083 15.643 1.00 33.11 ? 98 TYR D CZ 1 ATOM 5099 O OH . TYR D 4 99 ? 47.818 -3.944 16.304 1.00 35.27 ? 98 TYR D OH 1 ATOM 5100 N N . THR D 4 100 ? 44.697 -6.638 11.629 1.00 29.29 ? 99 THR D N 1 ATOM 5101 C CA . THR D 4 100 ? 45.697 -6.678 10.557 1.00 29.49 ? 99 THR D CA 1 ATOM 5102 C C . THR D 4 100 ? 45.112 -7.204 9.246 1.00 28.51 ? 99 THR D C 1 ATOM 5103 O O . THR D 4 100 ? 44.536 -8.294 9.203 1.00 28.65 ? 99 THR D O 1 ATOM 5104 C CB . THR D 4 100 ? 46.945 -7.517 10.943 1.00 31.37 ? 99 THR D CB 1 ATOM 5105 O OG1 . THR D 4 100 ? 47.507 -7.022 12.162 1.00 32.86 ? 99 THR D OG1 1 ATOM 5106 C CG2 . THR D 4 100 ? 48.008 -7.437 9.859 1.00 31.98 ? 99 THR D CG2 1 ATOM 5107 N N . GLN D 4 101 ? 45.248 -6.406 8.188 1.00 27.88 ? 100 GLN D N 1 ATOM 5108 C CA . GLN D 4 101 ? 44.964 -6.860 6.825 1.00 27.34 ? 100 GLN D CA 1 ATOM 5109 C C . GLN D 4 101 ? 46.282 -7.098 6.097 1.00 28.26 ? 100 GLN D C 1 ATOM 5110 O O . GLN D 4 101 ? 47.172 -6.247 6.112 1.00 28.72 ? 100 GLN D O 1 ATOM 5111 C CB . GLN D 4 101 ? 44.102 -5.848 6.063 1.00 26.20 ? 100 GLN D CB 1 ATOM 5112 C CG . GLN D 4 101 ? 42.633 -5.859 6.464 1.00 26.09 ? 100 GLN D CG 1 ATOM 5113 C CD . GLN D 4 101 ? 41.774 -4.862 5.690 1.00 26.08 ? 100 GLN D CD 1 ATOM 5114 O OE1 . GLN D 4 101 ? 40.604 -4.660 6.018 1.00 26.41 ? 100 GLN D OE1 1 ATOM 5115 N NE2 . GLN D 4 101 ? 42.345 -4.242 4.664 1.00 25.97 ? 100 GLN D NE2 1 ATOM 5116 N N . TYR D 4 102 ? 46.401 -8.267 5.477 1.00 28.86 ? 101 TYR D N 1 ATOM 5117 C CA . TYR D 4 102 ? 47.619 -8.651 4.777 1.00 30.29 ? 101 TYR D CA 1 ATOM 5118 C C . TYR D 4 102 ? 47.439 -8.434 3.278 1.00 29.97 ? 101 TYR D C 1 ATOM 5119 O O . TYR D 4 102 ? 46.591 -9.066 2.647 1.00 29.87 ? 101 TYR D O 1 ATOM 5120 C CB . TYR D 4 102 ? 47.979 -10.107 5.090 1.00 31.99 ? 101 TYR D CB 1 ATOM 5121 C CG . TYR D 4 102 ? 48.164 -10.378 6.568 1.00 32.47 ? 101 TYR D CG 1 ATOM 5122 C CD1 . TYR D 4 102 ? 49.421 -10.280 7.163 1.00 33.54 ? 101 TYR D CD1 1 ATOM 5123 C CD2 . TYR D 4 102 ? 47.077 -10.727 7.376 1.00 31.45 ? 101 TYR D CD2 1 ATOM 5124 C CE1 . TYR D 4 102 ? 49.591 -10.524 8.519 1.00 34.46 ? 101 TYR D CE1 1 ATOM 5125 C CE2 . TYR D 4 102 ? 47.239 -10.972 8.734 1.00 31.74 ? 101 TYR D CE2 1 ATOM 5126 C CZ . TYR D 4 102 ? 48.496 -10.871 9.296 1.00 33.70 ? 101 TYR D CZ 1 ATOM 5127 O OH . TYR D 4 102 ? 48.656 -11.110 10.640 1.00 35.36 ? 101 TYR D OH 1 ATOM 5128 N N . PHE D 4 103 ? 48.247 -7.539 2.718 1.00 30.17 ? 102 PHE D N 1 ATOM 5129 C CA . PHE D 4 103 ? 48.078 -7.091 1.339 1.00 29.66 ? 102 PHE D CA 1 ATOM 5130 C C . PHE D 4 103 ? 48.876 -7.877 0.305 1.00 31.39 ? 102 PHE D C 1 ATOM 5131 O O . PHE D 4 103 ? 50.045 -8.201 0.511 1.00 33.21 ? 102 PHE D O 1 ATOM 5132 C CB . PHE D 4 103 ? 48.382 -5.596 1.235 1.00 29.14 ? 102 PHE D CB 1 ATOM 5133 C CG . PHE D 4 103 ? 47.341 -4.739 1.878 1.00 27.30 ? 102 PHE D CG 1 ATOM 5134 C CD1 . PHE D 4 103 ? 47.427 -4.416 3.226 1.00 26.45 ? 102 PHE D CD1 1 ATOM 5135 C CD2 . PHE D 4 103 ? 46.252 -4.279 1.140 1.00 25.90 ? 102 PHE D CD2 1 ATOM 5136 C CE1 . PHE D 4 103 ? 46.454 -3.638 3.826 1.00 25.52 ? 102 PHE D CE1 1 ATOM 5137 C CE2 . PHE D 4 103 ? 45.272 -3.498 1.730 1.00 24.30 ? 102 PHE D CE2 1 ATOM 5138 C CZ . PHE D 4 103 ? 45.372 -3.176 3.076 1.00 24.63 ? 102 PHE D CZ 1 ATOM 5139 N N . GLY D 4 104 ? 48.219 -8.168 -0.813 1.00 31.22 ? 103 GLY D N 1 ATOM 5140 C CA . GLY D 4 104 ? 48.851 -8.821 -1.951 1.00 33.08 ? 103 GLY D CA 1 ATOM 5141 C C . GLY D 4 104 ? 49.750 -7.880 -2.731 1.00 33.68 ? 103 GLY D C 1 ATOM 5142 O O . GLY D 4 104 ? 49.850 -6.698 -2.398 1.00 32.62 ? 103 GLY D O 1 ATOM 5143 N N . PRO D 4 105 ? 50.401 -8.398 -3.790 1.00 35.73 ? 104 PRO D N 1 ATOM 5144 C CA . PRO D 4 105 ? 51.427 -7.674 -4.546 1.00 37.11 ? 104 PRO D CA 1 ATOM 5145 C C . PRO D 4 105 ? 50.894 -6.477 -5.333 1.00 35.88 ? 104 PRO D C 1 ATOM 5146 O O . PRO D 4 105 ? 51.671 -5.583 -5.684 1.00 36.65 ? 104 PRO D O 1 ATOM 5147 C CB . PRO D 4 105 ? 51.965 -8.735 -5.518 1.00 39.56 ? 104 PRO D CB 1 ATOM 5148 C CG . PRO D 4 105 ? 51.466 -10.040 -5.001 1.00 40.04 ? 104 PRO D CG 1 ATOM 5149 C CD . PRO D 4 105 ? 50.162 -9.732 -4.359 1.00 37.19 ? 104 PRO D CD 1 ATOM 5150 N N . GLY D 4 106 ? 49.590 -6.473 -5.608 1.00 34.37 ? 105 GLY D N 1 ATOM 5151 C CA . GLY D 4 106 ? 48.959 -5.436 -6.420 1.00 33.68 ? 105 GLY D CA 1 ATOM 5152 C C . GLY D 4 106 ? 48.820 -5.856 -7.868 1.00 35.10 ? 105 GLY D C 1 ATOM 5153 O O . GLY D 4 106 ? 49.690 -6.545 -8.406 1.00 37.19 ? 105 GLY D O 1 ATOM 5154 N N . THR D 4 107 ? 47.720 -5.445 -8.494 1.00 34.40 ? 106 THR D N 1 ATOM 5155 C CA . THR D 4 107 ? 47.449 -5.752 -9.896 1.00 35.76 ? 106 THR D CA 1 ATOM 5156 C C . THR D 4 107 ? 47.228 -4.463 -10.682 1.00 35.77 ? 106 THR D C 1 ATOM 5157 O O . THR D 4 107 ? 46.404 -3.631 -10.300 1.00 34.50 ? 106 THR D O 1 ATOM 5158 C CB . THR D 4 107 ? 46.218 -6.690 -10.046 1.00 35.85 ? 106 THR D CB 1 ATOM 5159 O OG1 . THR D 4 107 ? 46.568 -8.015 -9.625 1.00 36.86 ? 106 THR D OG1 1 ATOM 5160 C CG2 . THR D 4 107 ? 45.723 -6.741 -11.494 1.00 36.93 ? 106 THR D CG2 1 ATOM 5161 N N . ARG D 4 108 ? 47.966 -4.312 -11.780 1.00 37.48 ? 107 ARG D N 1 ATOM 5162 C CA . ARG D 4 108 ? 47.837 -3.142 -12.648 1.00 38.04 ? 107 ARG D CA 1 ATOM 5163 C C . ARG D 4 108 ? 46.917 -3.410 -13.843 1.00 38.68 ? 107 ARG D C 1 ATOM 5164 O O . ARG D 4 108 ? 47.246 -4.192 -14.732 1.00 40.48 ? 107 ARG D O 1 ATOM 5165 C CB . ARG D 4 108 ? 49.221 -2.656 -13.099 1.00 39.78 ? 107 ARG D CB 1 ATOM 5166 C CG . ARG D 4 108 ? 50.019 -2.029 -11.966 1.00 40.42 ? 107 ARG D CG 1 ATOM 5167 C CD . ARG D 4 108 ? 51.499 -2.370 -12.015 1.00 44.19 ? 107 ARG D CD 1 ATOM 5168 N NE . ARG D 4 108 ? 52.309 -1.299 -12.592 1.00 47.40 ? 107 ARG D NE 1 ATOM 5169 C CZ . ARG D 4 108 ? 53.642 -1.278 -12.583 1.00 50.77 ? 107 ARG D CZ 1 ATOM 5170 N NH1 . ARG D 4 108 ? 54.327 -2.270 -12.020 1.00 51.85 ? 107 ARG D NH1 1 ATOM 5171 N NH2 . ARG D 4 108 ? 54.297 -0.263 -13.139 1.00 52.94 ? 107 ARG D NH2 1 ATOM 5172 N N . LEU D 4 109 ? 45.754 -2.763 -13.847 1.00 37.72 ? 108 LEU D N 1 ATOM 5173 C CA . LEU D 4 109 ? 44.807 -2.879 -14.954 1.00 38.64 ? 108 LEU D CA 1 ATOM 5174 C C . LEU D 4 109 ? 44.797 -1.621 -15.813 1.00 39.55 ? 108 LEU D C 1 ATOM 5175 O O . LEU D 4 109 ? 44.770 -0.505 -15.287 1.00 38.83 ? 108 LEU D O 1 ATOM 5176 C CB . LEU D 4 109 ? 43.394 -3.160 -14.432 1.00 37.71 ? 108 LEU D CB 1 ATOM 5177 C CG . LEU D 4 109 ? 42.234 -3.168 -15.436 1.00 38.97 ? 108 LEU D CG 1 ATOM 5178 C CD1 . LEU D 4 109 ? 42.390 -4.283 -16.473 1.00 41.41 ? 108 LEU D CD1 1 ATOM 5179 C CD2 . LEU D 4 109 ? 40.905 -3.286 -14.719 1.00 37.73 ? 108 LEU D CD2 1 ATOM 5180 N N . LEU D 4 110 ? 44.819 -1.818 -17.132 1.00 41.34 ? 109 LEU D N 1 ATOM 5181 C CA . LEU D 4 110 ? 44.652 -0.736 -18.097 1.00 42.65 ? 109 LEU D CA 1 ATOM 5182 C C . LEU D 4 110 ? 43.585 -1.095 -19.126 1.00 44.38 ? 109 LEU D C 1 ATOM 5183 O O . LEU D 4 110 ? 43.675 -2.132 -19.787 1.00 45.68 ? 109 LEU D O 1 ATOM 5184 C CB . LEU D 4 110 ? 45.981 -0.424 -18.793 1.00 44.09 ? 109 LEU D CB 1 ATOM 5185 C CG . LEU D 4 110 ? 46.015 0.455 -20.052 1.00 45.85 ? 109 LEU D CG 1 ATOM 5186 C CD1 . LEU D 4 110 ? 45.656 1.906 -19.768 1.00 45.41 ? 109 LEU D CD1 1 ATOM 5187 C CD2 . LEU D 4 110 ? 47.385 0.379 -20.667 1.00 47.32 ? 109 LEU D CD2 1 ATOM 5188 N N . VAL D 4 111 ? 42.584 -0.229 -19.260 1.00 44.84 ? 110 VAL D N 1 ATOM 5189 C CA . VAL D 4 111 ? 41.506 -0.433 -20.230 1.00 46.93 ? 110 VAL D CA 1 ATOM 5190 C C . VAL D 4 111 ? 41.599 0.565 -21.388 1.00 49.23 ? 110 VAL D C 1 ATOM 5191 O O . VAL D 4 111 ? 41.464 1.778 -21.199 1.00 49.20 ? 110 VAL D O 1 ATOM 5192 C CB . VAL D 4 111 ? 40.107 -0.376 -19.565 1.00 46.44 ? 110 VAL D CB 1 ATOM 5193 C CG1 . VAL D 4 111 ? 39.011 -0.621 -20.588 1.00 49.00 ? 110 VAL D CG1 1 ATOM 5194 C CG2 . VAL D 4 111 ? 40.009 -1.398 -18.442 1.00 44.56 ? 110 VAL D CG2 1 ATOM 5195 N N . LEU D 4 112 ? 41.841 0.028 -22.582 1.00 51.63 ? 111 LEU D N 1 ATOM 5196 C CA . LEU D 4 112 ? 41.955 0.814 -23.810 1.00 54.22 ? 111 LEU D CA 1 ATOM 5197 C C . LEU D 4 112 ? 40.643 0.802 -24.588 1.00 56.63 ? 111 LEU D C 1 ATOM 5198 O O . LEU D 4 112 ? 39.826 -0.110 -24.435 1.00 56.67 ? 111 LEU D O 1 ATOM 5199 C CB . LEU D 4 112 ? 43.078 0.262 -24.699 1.00 55.60 ? 111 LEU D CB 1 ATOM 5200 C CG . LEU D 4 112 ? 44.507 0.143 -24.157 1.00 54.43 ? 111 LEU D CG 1 ATOM 5201 C CD1 . LEU D 4 112 ? 45.332 -0.778 -25.037 1.00 55.80 ? 111 LEU D CD1 1 ATOM 5202 C CD2 . LEU D 4 112 ? 45.184 1.507 -24.025 1.00 54.75 ? 111 LEU D CD2 1 ATOM 5203 N N . GLU D 4 113 ? 40.459 1.821 -25.424 1.00 59.05 ? 112 GLU D N 1 ATOM 5204 C CA . GLU D 4 113 ? 39.296 1.926 -26.305 1.00 62.26 ? 112 GLU D CA 1 ATOM 5205 C C . GLU D 4 113 ? 39.372 0.908 -27.443 1.00 64.59 ? 112 GLU D C 1 ATOM 5206 O O . GLU D 4 113 ? 38.352 0.378 -27.882 1.00 66.72 ? 112 GLU D O 1 ATOM 5207 C CB . GLU D 4 113 ? 39.182 3.342 -26.889 1.00 64.48 ? 112 GLU D CB 1 ATOM 5208 C CG . GLU D 4 113 ? 39.224 4.486 -25.861 1.00 63.70 ? 112 GLU D CG 1 ATOM 5209 C CD . GLU D 4 113 ? 37.953 4.613 -25.019 1.00 64.35 ? 112 GLU D CD 1 ATOM 5210 O OE1 . GLU D 4 113 ? 36.904 4.038 -25.392 1.00 66.13 ? 112 GLU D OE1 1 ATOM 5211 O OE2 . GLU D 4 113 ? 38.006 5.305 -23.978 1.00 63.18 ? 112 GLU D OE2 1 ATOM 5212 N N . ASP D 4 114 ? 40.590 0.646 -27.914 1.00 68.98 ? 113 ASP D N 1 ATOM 5213 C CA . ASP D 4 114 ? 40.824 -0.294 -29.006 1.00 68.62 ? 113 ASP D CA 1 ATOM 5214 C C . ASP D 4 114 ? 42.164 -1.004 -28.828 1.00 64.41 ? 113 ASP D C 1 ATOM 5215 O O . ASP D 4 114 ? 43.144 -0.398 -28.387 1.00 62.28 ? 113 ASP D O 1 ATOM 5216 C CB . ASP D 4 114 ? 40.784 0.438 -30.354 1.00 71.70 ? 113 ASP D CB 1 ATOM 5217 C CG . ASP D 4 114 ? 40.488 -0.490 -31.526 1.00 73.39 ? 113 ASP D CG 1 ATOM 5218 O OD1 . ASP D 4 114 ? 40.739 -1.712 -31.424 1.00 71.61 ? 113 ASP D OD1 1 ATOM 5219 O OD2 . ASP D 4 114 ? 40.005 0.010 -32.565 1.00 77.29 ? 113 ASP D OD2 1 ATOM 5220 N N . LEU D 4 115 ? 42.194 -2.287 -29.180 1.00 63.50 ? 114 LEU D N 1 ATOM 5221 C CA . LEU D 4 115 ? 43.406 -3.103 -29.069 1.00 60.03 ? 114 LEU D CA 1 ATOM 5222 C C . LEU D 4 115 ? 44.230 -3.113 -30.358 1.00 60.32 ? 114 LEU D C 1 ATOM 5223 O O . LEU D 4 115 ? 45.270 -3.773 -30.431 1.00 57.95 ? 114 LEU D O 1 ATOM 5224 C CB . LEU D 4 115 ? 43.049 -4.539 -28.667 1.00 59.29 ? 114 LEU D CB 1 ATOM 5225 C CG . LEU D 4 115 ? 42.488 -4.804 -27.266 1.00 58.57 ? 114 LEU D CG 1 ATOM 5226 C CD1 . LEU D 4 115 ? 42.000 -6.239 -27.156 1.00 58.76 ? 114 LEU D CD1 1 ATOM 5227 C CD2 . LEU D 4 115 ? 43.518 -4.503 -26.185 1.00 55.49 ? 114 LEU D CD2 1 ATOM 5228 N N . ARG D 4 116 ? 43.767 -2.367 -31.361 1.00 63.58 ? 115 ARG D N 1 ATOM 5229 C CA . ARG D 4 116 ? 44.367 -2.354 -32.702 1.00 64.91 ? 115 ARG D CA 1 ATOM 5230 C C . ARG D 4 116 ? 45.832 -1.902 -32.750 1.00 62.77 ? 115 ARG D C 1 ATOM 5231 O O . ARG D 4 116 ? 46.516 -2.121 -33.751 1.00 63.50 ? 115 ARG D O 1 ATOM 5232 C CB . ARG D 4 116 ? 43.524 -1.492 -33.648 1.00 69.21 ? 115 ARG D CB 1 ATOM 5233 N N . ASN D 4 117 ? 46.307 -1.290 -31.667 1.00 60.52 ? 116 ASN D N 1 ATOM 5234 C CA . ASN D 4 117 ? 47.623 -0.654 -31.644 1.00 59.02 ? 116 ASN D CA 1 ATOM 5235 C C . ASN D 4 117 ? 48.636 -1.354 -30.729 1.00 54.95 ? 116 ASN D C 1 ATOM 5236 O O . ASN D 4 117 ? 49.774 -0.893 -30.582 1.00 53.53 ? 116 ASN D O 1 ATOM 5237 C CB . ASN D 4 117 ? 47.472 0.820 -31.249 1.00 60.52 ? 116 ASN D CB 1 ATOM 5238 C CG . ASN D 4 117 ? 48.320 1.749 -32.104 1.00 62.65 ? 116 ASN D CG 1 ATOM 5239 O OD1 . ASN D 4 117 ? 49.549 1.635 -32.147 1.00 61.64 ? 116 ASN D OD1 1 ATOM 5240 N ND2 . ASN D 4 117 ? 47.664 2.684 -32.782 1.00 66.29 ? 116 ASN D ND2 1 ATOM 5241 N N . VAL D 4 118 ? 48.218 -2.466 -30.124 1.00 53.32 ? 117 VAL D N 1 ATOM 5242 C CA . VAL D 4 118 ? 49.071 -3.235 -29.216 1.00 49.76 ? 117 VAL D CA 1 ATOM 5243 C C . VAL D 4 118 ? 50.220 -3.899 -29.983 1.00 48.85 ? 117 VAL D C 1 ATOM 5244 O O . VAL D 4 118 ? 49.996 -4.646 -30.933 1.00 50.19 ? 117 VAL D O 1 ATOM 5245 C CB . VAL D 4 118 ? 48.254 -4.292 -28.418 1.00 49.15 ? 117 VAL D CB 1 ATOM 5246 C CG1 . VAL D 4 118 ? 49.157 -5.106 -27.496 1.00 46.19 ? 117 VAL D CG1 1 ATOM 5247 C CG2 . VAL D 4 118 ? 47.155 -3.623 -27.609 1.00 50.13 ? 117 VAL D CG2 1 ATOM 5248 N N . THR D 4 119 ? 51.448 -3.610 -29.563 1.00 46.87 ? 118 THR D N 1 ATOM 5249 C CA . THR D 4 119 ? 52.652 -4.093 -30.242 1.00 46.28 ? 118 THR D CA 1 ATOM 5250 C C . THR D 4 119 ? 53.707 -4.500 -29.216 1.00 43.05 ? 118 THR D C 1 ATOM 5251 O O . THR D 4 119 ? 53.951 -3.757 -28.269 1.00 41.84 ? 118 THR D O 1 ATOM 5252 C CB . THR D 4 119 ? 53.240 -3.000 -31.176 1.00 48.13 ? 118 THR D CB 1 ATOM 5253 O OG1 . THR D 4 119 ? 52.213 -2.502 -32.042 1.00 51.48 ? 118 THR D OG1 1 ATOM 5254 C CG2 . THR D 4 119 ? 54.385 -3.548 -32.024 1.00 48.37 ? 118 THR D CG2 1 ATOM 5255 N N . PRO D 4 120 ? 54.329 -5.684 -29.396 1.00 42.11 ? 119 PRO D N 1 ATOM 5256 C CA . PRO D 4 120 ? 55.416 -6.110 -28.509 1.00 39.58 ? 119 PRO D CA 1 ATOM 5257 C C . PRO D 4 120 ? 56.712 -5.338 -28.786 1.00 39.22 ? 119 PRO D C 1 ATOM 5258 O O . PRO D 4 120 ? 56.855 -4.751 -29.861 1.00 41.10 ? 119 PRO D O 1 ATOM 5259 C CB . PRO D 4 120 ? 55.586 -7.595 -28.850 1.00 39.63 ? 119 PRO D CB 1 ATOM 5260 C CG . PRO D 4 120 ? 55.117 -7.718 -30.250 1.00 42.17 ? 119 PRO D CG 1 ATOM 5261 C CD . PRO D 4 120 ? 54.011 -6.714 -30.406 1.00 43.78 ? 119 PRO D CD 1 ATOM 5262 N N . PRO D 4 121 ? 57.649 -5.330 -27.820 1.00 37.12 ? 120 PRO D N 1 ATOM 5263 C CA . PRO D 4 121 ? 58.903 -4.608 -28.004 1.00 37.04 ? 120 PRO D CA 1 ATOM 5264 C C . PRO D 4 121 ? 59.965 -5.369 -28.792 1.00 37.53 ? 120 PRO D C 1 ATOM 5265 O O . PRO D 4 121 ? 59.956 -6.603 -28.834 1.00 37.21 ? 120 PRO D O 1 ATOM 5266 C CB . PRO D 4 121 ? 59.392 -4.405 -26.569 1.00 34.89 ? 120 PRO D CB 1 ATOM 5267 C CG . PRO D 4 121 ? 58.855 -5.564 -25.833 1.00 33.69 ? 120 PRO D CG 1 ATOM 5268 C CD . PRO D 4 121 ? 57.520 -5.860 -26.450 1.00 35.13 ? 120 PRO D CD 1 ATOM 5269 N N . LYS D 4 122 ? 60.864 -4.615 -29.420 1.00 38.71 ? 121 LYS D N 1 ATOM 5270 C CA . LYS D 4 122 ? 62.141 -5.147 -29.871 1.00 39.10 ? 121 LYS D CA 1 ATOM 5271 C C . LYS D 4 122 ? 63.123 -4.903 -28.739 1.00 37.23 ? 121 LYS D C 1 ATOM 5272 O O . LYS D 4 122 ? 63.084 -3.853 -28.097 1.00 36.87 ? 121 LYS D O 1 ATOM 5273 C CB . LYS D 4 122 ? 62.625 -4.441 -31.139 1.00 41.76 ? 121 LYS D CB 1 ATOM 5274 C CG . LYS D 4 122 ? 61.758 -4.677 -32.370 1.00 44.69 ? 121 LYS D CG 1 ATOM 5275 C CD . LYS D 4 122 ? 62.035 -6.019 -33.039 1.00 45.91 ? 121 LYS D CD 1 ATOM 5276 C CE . LYS D 4 122 ? 60.993 -6.326 -34.110 1.00 48.83 ? 121 LYS D CE 1 ATOM 5277 N NZ . LYS D 4 122 ? 60.944 -5.288 -35.185 1.00 52.06 ? 121 LYS D NZ 1 ATOM 5278 N N . VAL D 4 123 ? 63.989 -5.874 -28.477 1.00 36.40 ? 122 VAL D N 1 ATOM 5279 C CA . VAL D 4 123 ? 64.955 -5.739 -27.391 1.00 34.93 ? 122 VAL D CA 1 ATOM 5280 C C . VAL D 4 123 ? 66.372 -5.907 -27.915 1.00 35.89 ? 122 VAL D C 1 ATOM 5281 O O . VAL D 4 123 ? 66.658 -6.838 -28.666 1.00 37.14 ? 122 VAL D O 1 ATOM 5282 C CB . VAL D 4 123 ? 64.670 -6.726 -26.234 1.00 33.03 ? 122 VAL D CB 1 ATOM 5283 C CG1 . VAL D 4 123 ? 65.703 -6.583 -25.134 1.00 31.99 ? 122 VAL D CG1 1 ATOM 5284 C CG2 . VAL D 4 123 ? 63.281 -6.490 -25.668 1.00 32.59 ? 122 VAL D CG2 1 ATOM 5285 N N . SER D 4 124 ? 67.242 -4.981 -27.525 1.00 35.89 ? 123 SER D N 1 ATOM 5286 C CA . SER D 4 124 ? 68.643 -5.003 -27.912 1.00 36.98 ? 123 SER D CA 1 ATOM 5287 C C . SER D 4 124 ? 69.523 -4.791 -26.694 1.00 35.81 ? 123 SER D C 1 ATOM 5288 O O . SER D 4 124 ? 69.205 -3.981 -25.817 1.00 34.98 ? 123 SER D O 1 ATOM 5289 C CB . SER D 4 124 ? 68.926 -3.920 -28.946 1.00 39.35 ? 123 SER D CB 1 ATOM 5290 O OG . SER D 4 124 ? 68.184 -4.155 -30.124 1.00 40.99 ? 123 SER D OG 1 ATOM 5291 N N . LEU D 4 125 ? 70.622 -5.536 -26.643 1.00 36.14 ? 124 LEU D N 1 ATOM 5292 C CA . LEU D 4 125 ? 71.615 -5.386 -25.591 1.00 35.56 ? 124 LEU D CA 1 ATOM 5293 C C . LEU D 4 125 ? 72.901 -4.813 -26.181 1.00 37.85 ? 124 LEU D C 1 ATOM 5294 O O . LEU D 4 125 ? 73.483 -5.378 -27.117 1.00 39.55 ? 124 LEU D O 1 ATOM 5295 C CB . LEU D 4 125 ? 71.861 -6.726 -24.886 1.00 34.45 ? 124 LEU D CB 1 ATOM 5296 C CG . LEU D 4 125 ? 73.023 -6.926 -23.907 1.00 34.39 ? 124 LEU D CG 1 ATOM 5297 C CD1 . LEU D 4 125 ? 73.047 -5.890 -22.807 1.00 33.81 ? 124 LEU D CD1 1 ATOM 5298 C CD2 . LEU D 4 125 ? 72.916 -8.302 -23.304 1.00 34.52 ? 124 LEU D CD2 1 ATOM 5299 N N . PHE D 4 126 ? 73.321 -3.678 -25.629 1.00 38.10 ? 125 PHE D N 1 ATOM 5300 C CA . PHE D 4 126 ? 74.506 -2.970 -26.088 1.00 40.45 ? 125 PHE D CA 1 ATOM 5301 C C . PHE D 4 126 ? 75.675 -3.238 -25.144 1.00 40.41 ? 125 PHE D C 1 ATOM 5302 O O . PHE D 4 126 ? 75.575 -3.026 -23.932 1.00 38.92 ? 125 PHE D O 1 ATOM 5303 C CB . PHE D 4 126 ? 74.220 -1.466 -26.210 1.00 41.61 ? 125 PHE D CB 1 ATOM 5304 C CG . PHE D 4 126 ? 73.180 -1.127 -27.247 1.00 42.18 ? 125 PHE D CG 1 ATOM 5305 C CD1 . PHE D 4 126 ? 71.821 -1.213 -26.949 1.00 40.12 ? 125 PHE D CD1 1 ATOM 5306 C CD2 . PHE D 4 126 ? 73.559 -0.725 -28.525 1.00 44.83 ? 125 PHE D CD2 1 ATOM 5307 C CE1 . PHE D 4 126 ? 70.857 -0.907 -27.912 1.00 40.95 ? 125 PHE D CE1 1 ATOM 5308 C CE2 . PHE D 4 126 ? 72.600 -0.416 -29.493 1.00 45.53 ? 125 PHE D CE2 1 ATOM 5309 C CZ . PHE D 4 126 ? 71.250 -0.506 -29.186 1.00 43.44 ? 125 PHE D CZ 1 ATOM 5310 N N . GLU D 4 127 ? 76.779 -3.706 -25.720 1.00 42.38 ? 126 GLU D N 1 ATOM 5311 C CA . GLU D 4 127 ? 77.960 -4.125 -24.967 1.00 42.86 ? 126 GLU D CA 1 ATOM 5312 C C . GLU D 4 127 ? 78.826 -2.941 -24.527 1.00 44.39 ? 126 GLU D C 1 ATOM 5313 O O . GLU D 4 127 ? 78.864 -1.920 -25.210 1.00 46.22 ? 126 GLU D O 1 ATOM 5314 C CB . GLU D 4 127 ? 78.788 -5.097 -25.807 1.00 44.78 ? 126 GLU D CB 1 ATOM 5315 C CG . GLU D 4 127 ? 78.060 -6.378 -26.172 1.00 44.16 ? 126 GLU D CG 1 ATOM 5316 C CD . GLU D 4 127 ? 78.804 -7.200 -27.208 1.00 48.10 ? 126 GLU D CD 1 ATOM 5317 O OE1 . GLU D 4 127 ? 79.793 -6.697 -27.791 1.00 51.04 ? 126 GLU D OE1 1 ATOM 5318 O OE2 . GLU D 4 127 ? 78.395 -8.356 -27.445 1.00 48.50 ? 126 GLU D OE2 1 ATOM 5319 N N . PRO D 4 128 ? 79.537 -3.083 -23.389 1.00 44.12 ? 127 PRO D N 1 ATOM 5320 C CA . PRO D 4 128 ? 80.371 -2.013 -22.829 1.00 45.81 ? 127 PRO D CA 1 ATOM 5321 C C . PRO D 4 128 ? 81.445 -1.531 -23.795 1.00 49.22 ? 127 PRO D C 1 ATOM 5322 O O . PRO D 4 128 ? 81.929 -2.313 -24.610 1.00 50.40 ? 127 PRO D O 1 ATOM 5323 C CB . PRO D 4 128 ? 81.043 -2.682 -21.625 1.00 45.23 ? 127 PRO D CB 1 ATOM 5324 C CG . PRO D 4 128 ? 80.174 -3.823 -21.278 1.00 42.73 ? 127 PRO D CG 1 ATOM 5325 C CD . PRO D 4 128 ? 79.600 -4.305 -22.566 1.00 42.60 ? 127 PRO D CD 1 ATOM 5326 N N . SER D 4 129 ? 81.804 -0.252 -23.703 1.00 51.20 ? 128 SER D N 1 ATOM 5327 C CA . SER D 4 129 ? 82.903 0.289 -24.494 1.00 55.01 ? 128 SER D CA 1 ATOM 5328 C C . SER D 4 129 ? 84.226 -0.031 -23.811 1.00 56.45 ? 128 SER D C 1 ATOM 5329 O O . SER D 4 129 ? 84.319 -0.002 -22.578 1.00 55.27 ? 128 SER D O 1 ATOM 5330 C CB . SER D 4 129 ? 82.755 1.803 -24.694 1.00 57.18 ? 128 SER D CB 1 ATOM 5331 O OG . SER D 4 129 ? 83.466 2.542 -23.714 1.00 58.48 ? 128 SER D OG 1 ATOM 5332 N N . LYS D 4 130 ? 85.243 -0.336 -24.615 1.00 59.30 ? 129 LYS D N 1 ATOM 5333 C CA . LYS D 4 130 ? 86.583 -0.617 -24.103 1.00 61.33 ? 129 LYS D CA 1 ATOM 5334 C C . LYS D 4 130 ? 87.173 0.617 -23.426 1.00 63.39 ? 129 LYS D C 1 ATOM 5335 O O . LYS D 4 130 ? 88.016 0.502 -22.537 1.00 64.23 ? 129 LYS D O 1 ATOM 5336 C CB . LYS D 4 130 ? 87.503 -1.099 -25.229 1.00 64.60 ? 129 LYS D CB 1 ATOM 5337 N N . ALA D 4 131 ? 86.708 1.789 -23.855 1.00 64.56 ? 130 ALA D N 1 ATOM 5338 C CA . ALA D 4 131 ? 87.135 3.070 -23.299 1.00 67.03 ? 130 ALA D CA 1 ATOM 5339 C C . ALA D 4 131 ? 86.740 3.217 -21.830 1.00 64.74 ? 130 ALA D C 1 ATOM 5340 O O . ALA D 4 131 ? 87.522 3.720 -21.022 1.00 66.75 ? 130 ALA D O 1 ATOM 5341 C CB . ALA D 4 131 ? 86.567 4.217 -24.124 1.00 68.85 ? 130 ALA D CB 1 ATOM 5342 N N . GLU D 4 132 ? 85.530 2.773 -21.496 1.00 60.94 ? 131 GLU D N 1 ATOM 5343 C CA . GLU D 4 132 ? 85.056 2.774 -20.114 1.00 58.84 ? 131 GLU D CA 1 ATOM 5344 C C . GLU D 4 132 ? 85.852 1.780 -19.274 1.00 58.40 ? 131 GLU D C 1 ATOM 5345 O O . GLU D 4 132 ? 86.207 2.067 -18.127 1.00 59.11 ? 131 GLU D O 1 ATOM 5346 C CB . GLU D 4 132 ? 83.563 2.438 -20.051 1.00 55.21 ? 131 GLU D CB 1 ATOM 5347 C CG . GLU D 4 132 ? 82.944 2.618 -18.667 1.00 53.65 ? 131 GLU D CG 1 ATOM 5348 C CD . GLU D 4 132 ? 81.739 1.719 -18.418 1.00 50.15 ? 131 GLU D CD 1 ATOM 5349 O OE1 . GLU D 4 132 ? 81.121 1.236 -19.394 1.00 49.12 ? 131 GLU D OE1 1 ATOM 5350 O OE2 . GLU D 4 132 ? 81.411 1.498 -17.233 1.00 48.77 ? 131 GLU D OE2 1 ATOM 5351 N N . ILE D 4 133 ? 86.129 0.617 -19.860 1.00 57.65 ? 132 ILE D N 1 ATOM 5352 C CA . ILE D 4 133 ? 86.889 -0.444 -19.202 1.00 57.57 ? 132 ILE D CA 1 ATOM 5353 C C . ILE D 4 133 ? 88.305 0.013 -18.828 1.00 61.31 ? 132 ILE D C 1 ATOM 5354 O O . ILE D 4 133 ? 88.814 -0.332 -17.761 1.00 61.65 ? 132 ILE D O 1 ATOM 5355 C CB . ILE D 4 133 ? 86.915 -1.726 -20.075 1.00 56.78 ? 132 ILE D CB 1 ATOM 5356 C CG1 . ILE D 4 133 ? 85.520 -2.365 -20.098 1.00 52.95 ? 132 ILE D CG1 1 ATOM 5357 C CG2 . ILE D 4 133 ? 87.956 -2.720 -19.569 1.00 57.84 ? 132 ILE D CG2 1 ATOM 5358 C CD1 . ILE D 4 133 ? 85.314 -3.408 -21.177 1.00 52.14 ? 132 ILE D CD1 1 ATOM 5359 N N . SER D 4 134 ? 88.923 0.806 -19.698 1.00 64.46 ? 133 SER D N 1 ATOM 5360 C CA . SER D 4 134 ? 90.272 1.311 -19.461 1.00 68.56 ? 133 SER D CA 1 ATOM 5361 C C . SER D 4 134 ? 90.277 2.449 -18.446 1.00 69.71 ? 133 SER D C 1 ATOM 5362 O O . SER D 4 134 ? 91.166 2.532 -17.596 1.00 71.82 ? 133 SER D O 1 ATOM 5363 C CB . SER D 4 134 ? 90.903 1.784 -20.773 1.00 72.01 ? 133 SER D CB 1 ATOM 5364 O OG . SER D 4 134 ? 90.817 0.779 -21.767 1.00 71.21 ? 133 SER D OG 1 ATOM 5365 N N . HIS D 4 135 ? 89.270 3.313 -18.534 1.00 68.67 ? 134 HIS D N 1 ATOM 5366 C CA . HIS D 4 135 ? 89.230 4.546 -17.753 1.00 70.46 ? 134 HIS D CA 1 ATOM 5367 C C . HIS D 4 135 ? 88.713 4.369 -16.324 1.00 68.36 ? 134 HIS D C 1 ATOM 5368 O O . HIS D 4 135 ? 89.190 5.038 -15.404 1.00 70.70 ? 134 HIS D O 1 ATOM 5369 C CB . HIS D 4 135 ? 88.410 5.611 -18.491 1.00 70.93 ? 134 HIS D CB 1 ATOM 5370 C CG . HIS D 4 135 ? 88.467 6.967 -17.858 1.00 73.73 ? 134 HIS D CG 1 ATOM 5371 N ND1 . HIS D 4 135 ? 89.634 7.694 -17.754 1.00 78.52 ? 134 HIS D ND1 1 ATOM 5372 C CD2 . HIS D 4 135 ? 87.497 7.731 -17.303 1.00 72.90 ? 134 HIS D CD2 1 ATOM 5373 C CE1 . HIS D 4 135 ? 89.381 8.844 -17.156 1.00 80.52 ? 134 HIS D CE1 1 ATOM 5374 N NE2 . HIS D 4 135 ? 88.092 8.893 -16.873 1.00 77.25 ? 134 HIS D NE2 1 ATOM 5375 N N . THR D 4 136 ? 87.746 3.472 -16.140 1.00 64.32 ? 135 THR D N 1 ATOM 5376 C CA . THR D 4 136 ? 87.087 3.318 -14.841 1.00 62.46 ? 135 THR D CA 1 ATOM 5377 C C . THR D 4 136 ? 87.258 1.931 -14.228 1.00 60.66 ? 135 THR D C 1 ATOM 5378 O O . THR D 4 136 ? 86.953 1.729 -13.049 1.00 59.87 ? 135 THR D O 1 ATOM 5379 C CB . THR D 4 136 ? 85.572 3.633 -14.928 1.00 59.74 ? 135 THR D CB 1 ATOM 5380 O OG1 . THR D 4 136 ? 84.935 2.715 -15.827 1.00 57.02 ? 135 THR D OG1 1 ATOM 5381 C CG2 . THR D 4 136 ? 85.332 5.070 -15.399 1.00 61.92 ? 135 THR D CG2 1 ATOM 5382 N N . GLN D 4 137 ? 87.743 0.986 -15.034 1.00 60.37 ? 136 GLN D N 1 ATOM 5383 C CA . GLN D 4 137 ? 87.796 -0.437 -14.668 1.00 58.77 ? 136 GLN D CA 1 ATOM 5384 C C . GLN D 4 137 ? 86.413 -1.017 -14.341 1.00 55.02 ? 136 GLN D C 1 ATOM 5385 O O . GLN D 4 137 ? 86.293 -2.042 -13.669 1.00 54.00 ? 136 GLN D O 1 ATOM 5386 C CB . GLN D 4 137 ? 88.810 -0.702 -13.541 1.00 61.03 ? 136 GLN D CB 1 ATOM 5387 C CG . GLN D 4 137 ? 90.273 -0.684 -13.996 1.00 64.93 ? 136 GLN D CG 1 ATOM 5388 C CD . GLN D 4 137 ? 90.584 -1.706 -15.098 1.00 64.91 ? 136 GLN D CD 1 ATOM 5389 O OE1 . GLN D 4 137 ? 90.189 -2.874 -15.020 1.00 62.64 ? 136 GLN D OE1 1 ATOM 5390 N NE2 . GLN D 4 137 ? 91.302 -1.263 -16.123 1.00 67.33 ? 136 GLN D NE2 1 ATOM 5391 N N . LYS D 4 138 ? 85.376 -0.346 -14.831 1.00 53.44 ? 137 LYS D N 1 ATOM 5392 C CA . LYS D 4 138 ? 84.003 -0.815 -14.700 1.00 50.16 ? 137 LYS D CA 1 ATOM 5393 C C . LYS D 4 138 ? 83.372 -0.877 -16.091 1.00 48.91 ? 137 LYS D C 1 ATOM 5394 O O . LYS D 4 138 ? 83.835 -0.207 -17.018 1.00 50.75 ? 137 LYS D O 1 ATOM 5395 C CB . LYS D 4 138 ? 83.201 0.098 -13.766 1.00 49.80 ? 137 LYS D CB 1 ATOM 5396 C CG . LYS D 4 138 ? 83.751 0.179 -12.340 1.00 51.35 ? 137 LYS D CG 1 ATOM 5397 C CD . LYS D 4 138 ? 82.977 1.178 -11.498 1.00 51.25 ? 137 LYS D CD 1 ATOM 5398 C CE . LYS D 4 138 ? 83.512 1.256 -10.074 1.00 53.27 ? 137 LYS D CE 1 ATOM 5399 N NZ . LYS D 4 138 ? 84.491 2.362 -9.889 1.00 56.22 ? 137 LYS D NZ 1 ATOM 5400 N N . ALA D 4 139 ? 82.326 -1.686 -16.234 1.00 46.16 ? 138 ALA D N 1 ATOM 5401 C CA . ALA D 4 139 ? 81.725 -1.954 -17.537 1.00 45.04 ? 138 ALA D CA 1 ATOM 5402 C C . ALA D 4 139 ? 80.200 -1.877 -17.500 1.00 42.61 ? 138 ALA D C 1 ATOM 5403 O O . ALA D 4 139 ? 79.546 -2.561 -16.703 1.00 40.80 ? 138 ALA D O 1 ATOM 5404 C CB . ALA D 4 139 ? 82.184 -3.313 -18.059 1.00 44.93 ? 138 ALA D CB 1 ATOM 5405 N N . THR D 4 140 ? 79.643 -1.050 -18.380 1.00 42.84 ? 139 THR D N 1 ATOM 5406 C CA . THR D 4 140 ? 78.202 -0.829 -18.426 1.00 41.04 ? 139 THR D CA 1 ATOM 5407 C C . THR D 4 140 ? 77.541 -1.508 -19.619 1.00 39.97 ? 139 THR D C 1 ATOM 5408 O O . THR D 4 140 ? 77.909 -1.273 -20.770 1.00 41.42 ? 139 THR D O 1 ATOM 5409 C CB . THR D 4 140 ? 77.859 0.663 -18.470 1.00 42.25 ? 139 THR D CB 1 ATOM 5410 O OG1 . THR D 4 140 ? 78.636 1.363 -17.494 1.00 44.12 ? 139 THR D OG1 1 ATOM 5411 C CG2 . THR D 4 140 ? 76.384 0.871 -18.178 1.00 40.87 ? 139 THR D CG2 1 ATOM 5412 N N . LEU D 4 141 ? 76.563 -2.354 -19.323 1.00 37.80 ? 140 LEU D N 1 ATOM 5413 C CA . LEU D 4 141 ? 75.710 -2.930 -20.342 1.00 36.94 ? 140 LEU D CA 1 ATOM 5414 C C . LEU D 4 141 ? 74.452 -2.092 -20.417 1.00 36.30 ? 140 LEU D C 1 ATOM 5415 O O . LEU D 4 141 ? 73.891 -1.713 -19.389 1.00 35.71 ? 140 LEU D O 1 ATOM 5416 C CB . LEU D 4 141 ? 75.345 -4.373 -20.000 1.00 35.40 ? 140 LEU D CB 1 ATOM 5417 C CG . LEU D 4 141 ? 76.406 -5.446 -20.225 1.00 36.54 ? 140 LEU D CG 1 ATOM 5418 C CD1 . LEU D 4 141 ? 77.300 -5.598 -19.005 1.00 37.21 ? 140 LEU D CD1 1 ATOM 5419 C CD2 . LEU D 4 141 ? 75.726 -6.761 -20.545 1.00 36.22 ? 140 LEU D CD2 1 ATOM 5420 N N . VAL D 4 142 ? 74.017 -1.790 -21.631 1.00 36.88 ? 141 VAL D N 1 ATOM 5421 C CA . VAL D 4 142 ? 72.790 -1.037 -21.815 1.00 36.64 ? 141 VAL D CA 1 ATOM 5422 C C . VAL D 4 142 ? 71.768 -1.883 -22.555 1.00 35.74 ? 141 VAL D C 1 ATOM 5423 O O . VAL D 4 142 ? 72.100 -2.599 -23.501 1.00 36.23 ? 141 VAL D O 1 ATOM 5424 C CB . VAL D 4 142 ? 73.041 0.318 -22.521 1.00 38.95 ? 141 VAL D CB 1 ATOM 5425 C CG1 . VAL D 4 142 ? 71.776 0.846 -23.190 1.00 38.92 ? 141 VAL D CG1 1 ATOM 5426 C CG2 . VAL D 4 142 ? 73.569 1.329 -21.521 1.00 39.95 ? 141 VAL D CG2 1 ATOM 5427 N N . CYS D 4 143 ? 70.528 -1.809 -22.087 1.00 34.71 ? 142 CYS D N 1 ATOM 5428 C CA . CYS D 4 143 ? 69.418 -2.480 -22.727 1.00 34.23 ? 142 CYS D CA 1 ATOM 5429 C C . CYS D 4 143 ? 68.462 -1.465 -23.312 1.00 34.89 ? 142 CYS D C 1 ATOM 5430 O O . CYS D 4 143 ? 68.329 -0.351 -22.795 1.00 35.54 ? 142 CYS D O 1 ATOM 5431 C CB . CYS D 4 143 ? 68.674 -3.335 -21.720 1.00 32.73 ? 142 CYS D CB 1 ATOM 5432 S SG . CYS D 4 143 ? 67.595 -4.542 -22.478 1.00 33.75 ? 142 CYS D SG 1 ATOM 5433 N N . LEU D 4 144 ? 67.784 -1.864 -24.383 1.00 35.07 ? 143 LEU D N 1 ATOM 5434 C CA . LEU D 4 144 ? 66.864 -0.976 -25.072 1.00 36.18 ? 143 LEU D CA 1 ATOM 5435 C C . LEU D 4 144 ? 65.643 -1.737 -25.561 1.00 35.46 ? 143 LEU D C 1 ATOM 5436 O O . LEU D 4 144 ? 65.761 -2.660 -26.367 1.00 35.73 ? 143 LEU D O 1 ATOM 5437 C CB . LEU D 4 144 ? 67.572 -0.293 -26.244 1.00 38.65 ? 143 LEU D CB 1 ATOM 5438 C CG . LEU D 4 144 ? 67.032 1.061 -26.698 1.00 41.16 ? 143 LEU D CG 1 ATOM 5439 C CD1 . LEU D 4 144 ? 67.417 2.139 -25.703 1.00 42.09 ? 143 LEU D CD1 1 ATOM 5440 C CD2 . LEU D 4 144 ? 67.561 1.409 -28.079 1.00 44.30 ? 143 LEU D CD2 1 ATOM 5441 N N . ALA D 4 145 ? 64.476 -1.355 -25.053 1.00 34.82 ? 144 ALA D N 1 ATOM 5442 C CA . ALA D 4 145 ? 63.205 -1.877 -25.550 1.00 34.61 ? 144 ALA D CA 1 ATOM 5443 C C . ALA D 4 145 ? 62.524 -0.788 -26.358 1.00 36.54 ? 144 ALA D C 1 ATOM 5444 O O . ALA D 4 145 ? 62.350 0.328 -25.875 1.00 37.22 ? 144 ALA D O 1 ATOM 5445 C CB . ALA D 4 145 ? 62.318 -2.334 -24.402 1.00 33.16 ? 144 ALA D CB 1 ATOM 5446 N N . THR D 4 146 ? 62.154 -1.111 -27.592 1.00 37.80 ? 145 THR D N 1 ATOM 5447 C CA . THR D 4 146 ? 61.619 -0.119 -28.525 1.00 40.27 ? 145 THR D CA 1 ATOM 5448 C C . THR D 4 146 ? 60.348 -0.593 -29.229 1.00 41.11 ? 145 THR D C 1 ATOM 5449 O O . THR D 4 146 ? 60.145 -1.791 -29.426 1.00 40.03 ? 145 THR D O 1 ATOM 5450 C CB . THR D 4 146 ? 62.667 0.273 -29.601 1.00 42.43 ? 145 THR D CB 1 ATOM 5451 O OG1 . THR D 4 146 ? 63.117 -0.901 -30.285 1.00 42.35 ? 145 THR D OG1 1 ATOM 5452 C CG2 . THR D 4 146 ? 63.866 0.972 -28.977 1.00 42.04 ? 145 THR D CG2 1 ATOM 5453 N N . GLY D 4 147 ? 59.501 0.367 -29.597 1.00 43.31 ? 146 GLY D N 1 ATOM 5454 C CA . GLY D 4 147 ? 58.340 0.129 -30.457 1.00 45.13 ? 146 GLY D CA 1 ATOM 5455 C C . GLY D 4 147 ? 57.164 -0.615 -29.851 1.00 43.88 ? 146 GLY D C 1 ATOM 5456 O O . GLY D 4 147 ? 56.343 -1.176 -30.580 1.00 45.04 ? 146 GLY D O 1 ATOM 5457 N N . PHE D 4 148 ? 57.071 -0.619 -28.523 1.00 41.88 ? 147 PHE D N 1 ATOM 5458 C CA . PHE D 4 148 ? 55.980 -1.315 -27.846 1.00 40.97 ? 147 PHE D CA 1 ATOM 5459 C C . PHE D 4 148 ? 54.823 -0.400 -27.449 1.00 42.52 ? 147 PHE D C 1 ATOM 5460 O O . PHE D 4 148 ? 55.013 0.797 -27.221 1.00 43.52 ? 147 PHE D O 1 ATOM 5461 C CB . PHE D 4 148 ? 56.489 -2.119 -26.640 1.00 38.12 ? 147 PHE D CB 1 ATOM 5462 C CG . PHE D 4 148 ? 57.117 -1.283 -25.557 1.00 37.18 ? 147 PHE D CG 1 ATOM 5463 C CD1 . PHE D 4 148 ? 58.461 -0.928 -25.621 1.00 36.68 ? 147 PHE D CD1 1 ATOM 5464 C CD2 . PHE D 4 148 ? 56.370 -0.876 -24.456 1.00 36.89 ? 147 PHE D CD2 1 ATOM 5465 C CE1 . PHE D 4 148 ? 59.047 -0.161 -24.614 1.00 36.08 ? 147 PHE D CE1 1 ATOM 5466 C CE2 . PHE D 4 148 ? 56.945 -0.108 -23.449 1.00 36.46 ? 147 PHE D CE2 1 ATOM 5467 C CZ . PHE D 4 148 ? 58.288 0.247 -23.527 1.00 35.91 ? 147 PHE D CZ 1 ATOM 5468 N N . TYR D 4 149 ? 53.626 -0.982 -27.391 1.00 43.12 ? 148 TYR D N 1 ATOM 5469 C CA . TYR D 4 149 ? 52.418 -0.302 -26.921 1.00 44.75 ? 148 TYR D CA 1 ATOM 5470 C C . TYR D 4 149 ? 51.479 -1.339 -26.305 1.00 44.23 ? 148 TYR D C 1 ATOM 5471 O O . TYR D 4 149 ? 51.299 -2.417 -26.876 1.00 44.06 ? 148 TYR D O 1 ATOM 5472 C CB . TYR D 4 149 ? 51.724 0.436 -28.071 1.00 47.94 ? 148 TYR D CB 1 ATOM 5473 C CG . TYR D 4 149 ? 50.493 1.221 -27.666 1.00 49.90 ? 148 TYR D CG 1 ATOM 5474 C CD1 . TYR D 4 149 ? 50.591 2.552 -27.258 1.00 50.98 ? 148 TYR D CD1 1 ATOM 5475 C CD2 . TYR D 4 149 ? 49.226 0.637 -27.704 1.00 50.75 ? 148 TYR D CD2 1 ATOM 5476 C CE1 . TYR D 4 149 ? 49.461 3.275 -26.888 1.00 52.97 ? 148 TYR D CE1 1 ATOM 5477 C CE2 . TYR D 4 149 ? 48.093 1.350 -27.337 1.00 52.63 ? 148 TYR D CE2 1 ATOM 5478 C CZ . TYR D 4 149 ? 48.216 2.666 -26.931 1.00 53.74 ? 148 TYR D CZ 1 ATOM 5479 O OH . TYR D 4 149 ? 47.091 3.368 -26.569 1.00 56.09 ? 148 TYR D OH 1 ATOM 5480 N N . PRO D 4 150 ? 50.898 -1.036 -25.125 1.00 44.33 ? 149 PRO D N 1 ATOM 5481 C CA . PRO D 4 150 ? 51.079 0.166 -24.308 1.00 44.96 ? 149 PRO D CA 1 ATOM 5482 C C . PRO D 4 150 ? 52.330 0.080 -23.428 1.00 42.77 ? 149 PRO D C 1 ATOM 5483 O O . PRO D 4 150 ? 53.161 -0.804 -23.633 1.00 41.00 ? 149 PRO D O 1 ATOM 5484 C CB . PRO D 4 150 ? 49.813 0.186 -23.452 1.00 46.10 ? 149 PRO D CB 1 ATOM 5485 C CG . PRO D 4 150 ? 49.461 -1.250 -23.279 1.00 44.75 ? 149 PRO D CG 1 ATOM 5486 C CD . PRO D 4 150 ? 49.980 -1.995 -24.480 1.00 44.18 ? 149 PRO D CD 1 ATOM 5487 N N . ASP D 4 151 ? 52.455 0.979 -22.452 1.00 43.34 ? 150 ASP D N 1 ATOM 5488 C CA . ASP D 4 151 ? 53.684 1.078 -21.657 1.00 42.15 ? 150 ASP D CA 1 ATOM 5489 C C . ASP D 4 151 ? 53.784 0.083 -20.487 1.00 40.32 ? 150 ASP D C 1 ATOM 5490 O O . ASP D 4 151 ? 54.537 0.302 -19.537 1.00 39.64 ? 150 ASP D O 1 ATOM 5491 C CB . ASP D 4 151 ? 53.913 2.526 -21.186 1.00 43.92 ? 150 ASP D CB 1 ATOM 5492 C CG . ASP D 4 151 ? 52.869 3.003 -20.184 1.00 46.51 ? 150 ASP D CG 1 ATOM 5493 O OD1 . ASP D 4 151 ? 51.758 2.430 -20.129 1.00 48.49 ? 150 ASP D OD1 1 ATOM 5494 O OD2 . ASP D 4 151 ? 53.164 3.970 -19.446 1.00 48.49 ? 150 ASP D OD2 1 ATOM 5495 N N . HIS D 4 152 ? 53.042 -1.017 -20.579 1.00 40.05 ? 151 HIS D N 1 ATOM 5496 C CA . HIS D 4 152 ? 53.014 -2.030 -19.527 1.00 38.83 ? 151 HIS D CA 1 ATOM 5497 C C . HIS D 4 152 ? 54.074 -3.106 -19.734 1.00 36.73 ? 151 HIS D C 1 ATOM 5498 O O . HIS D 4 152 ? 53.782 -4.193 -20.244 1.00 36.60 ? 151 HIS D O 1 ATOM 5499 C CB . HIS D 4 152 ? 51.622 -2.659 -19.434 1.00 40.23 ? 151 HIS D CB 1 ATOM 5500 C CG . HIS D 4 152 ? 50.634 -1.825 -18.682 1.00 42.42 ? 151 HIS D CG 1 ATOM 5501 N ND1 . HIS D 4 152 ? 49.794 -2.353 -17.727 1.00 43.87 ? 151 HIS D ND1 1 ATOM 5502 C CD2 . HIS D 4 152 ? 50.361 -0.500 -18.733 1.00 44.54 ? 151 HIS D CD2 1 ATOM 5503 C CE1 . HIS D 4 152 ? 49.041 -1.390 -17.225 1.00 46.28 ? 151 HIS D CE1 1 ATOM 5504 N NE2 . HIS D 4 152 ? 49.366 -0.255 -17.818 1.00 46.56 ? 151 HIS D NE2 1 ATOM 5505 N N . VAL D 4 153 ? 55.304 -2.790 -19.335 1.00 35.44 ? 152 VAL D N 1 ATOM 5506 C CA . VAL D 4 153 ? 56.424 -3.732 -19.414 1.00 33.65 ? 152 VAL D CA 1 ATOM 5507 C C . VAL D 4 153 ? 57.223 -3.793 -18.109 1.00 32.92 ? 152 VAL D C 1 ATOM 5508 O O . VAL D 4 153 ? 57.311 -2.807 -17.374 1.00 33.51 ? 152 VAL D O 1 ATOM 5509 C CB . VAL D 4 153 ? 57.382 -3.417 -20.589 1.00 33.25 ? 152 VAL D CB 1 ATOM 5510 C CG1 . VAL D 4 153 ? 56.700 -3.668 -21.933 1.00 34.35 ? 152 VAL D CG1 1 ATOM 5511 C CG2 . VAL D 4 153 ? 57.910 -1.993 -20.503 1.00 33.86 ? 152 VAL D CG2 1 ATOM 5512 N N . GLU D 4 154 ? 57.783 -4.967 -17.826 1.00 31.91 ? 153 GLU D N 1 ATOM 5513 C CA . GLU D 4 154 ? 58.673 -5.156 -16.688 1.00 31.32 ? 153 GLU D CA 1 ATOM 5514 C C . GLU D 4 154 ? 60.034 -5.576 -17.216 1.00 30.23 ? 153 GLU D C 1 ATOM 5515 O O . GLU D 4 154 ? 60.161 -6.606 -17.891 1.00 29.87 ? 153 GLU D O 1 ATOM 5516 C CB . GLU D 4 154 ? 58.127 -6.215 -15.722 1.00 31.84 ? 153 GLU D CB 1 ATOM 5517 C CG . GLU D 4 154 ? 56.894 -5.794 -14.935 1.00 33.45 ? 153 GLU D CG 1 ATOM 5518 N N . LEU D 4 155 ? 61.050 -4.770 -16.922 1.00 29.98 ? 154 LEU D N 1 ATOM 5519 C CA . LEU D 4 155 ? 62.406 -5.061 -17.379 1.00 29.26 ? 154 LEU D CA 1 ATOM 5520 C C . LEU D 4 155 ? 63.258 -5.599 -16.235 1.00 28.81 ? 154 LEU D C 1 ATOM 5521 O O . LEU D 4 155 ? 63.207 -5.088 -15.115 1.00 29.39 ? 154 LEU D O 1 ATOM 5522 C CB . LEU D 4 155 ? 63.050 -3.819 -18.005 1.00 29.70 ? 154 LEU D CB 1 ATOM 5523 C CG . LEU D 4 155 ? 64.277 -4.023 -18.903 1.00 30.01 ? 154 LEU D CG 1 ATOM 5524 C CD1 . LEU D 4 155 ? 64.354 -2.933 -19.969 1.00 31.42 ? 154 LEU D CD1 1 ATOM 5525 C CD2 . LEU D 4 155 ? 65.579 -4.092 -18.093 1.00 29.93 ? 154 LEU D CD2 1 ATOM 5526 N N . SER D 4 156 ? 64.034 -6.635 -16.529 1.00 28.12 ? 155 SER D N 1 ATOM 5527 C CA . SER D 4 156 ? 64.908 -7.247 -15.541 1.00 28.02 ? 155 SER D CA 1 ATOM 5528 C C . SER D 4 156 ? 66.182 -7.765 -16.187 1.00 27.75 ? 155 SER D C 1 ATOM 5529 O O . SER D 4 156 ? 66.203 -8.076 -17.376 1.00 27.66 ? 155 SER D O 1 ATOM 5530 C CB . SER D 4 156 ? 64.180 -8.378 -14.810 1.00 28.42 ? 155 SER D CB 1 ATOM 5531 O OG . SER D 4 156 ? 63.554 -9.258 -15.727 1.00 28.33 ? 155 SER D OG 1 ATOM 5532 N N . TRP D 4 157 ? 67.242 -7.846 -15.388 1.00 27.95 ? 156 TRP D N 1 ATOM 5533 C CA . TRP D 4 157 ? 68.535 -8.351 -15.836 1.00 27.89 ? 156 TRP D CA 1 ATOM 5534 C C . TRP D 4 157 ? 68.834 -9.717 -15.239 1.00 28.55 ? 156 TRP D C 1 ATOM 5535 O O . TRP D 4 157 ? 68.478 -10.001 -14.090 1.00 29.01 ? 156 TRP D O 1 ATOM 5536 C CB . TRP D 4 157 ? 69.640 -7.388 -15.439 1.00 28.19 ? 156 TRP D CB 1 ATOM 5537 C CG . TRP D 4 157 ? 69.661 -6.135 -16.217 1.00 27.83 ? 156 TRP D CG 1 ATOM 5538 C CD1 . TRP D 4 157 ? 69.029 -4.969 -15.905 1.00 28.01 ? 156 TRP D CD1 1 ATOM 5539 C CD2 . TRP D 4 157 ? 70.372 -5.897 -17.433 1.00 27.92 ? 156 TRP D CD2 1 ATOM 5540 N NE1 . TRP D 4 157 ? 69.298 -4.016 -16.857 1.00 28.45 ? 156 TRP D NE1 1 ATOM 5541 C CE2 . TRP D 4 157 ? 70.120 -4.562 -17.808 1.00 28.54 ? 156 TRP D CE2 1 ATOM 5542 C CE3 . TRP D 4 157 ? 71.196 -6.685 -18.247 1.00 28.64 ? 156 TRP D CE3 1 ATOM 5543 C CZ2 . TRP D 4 157 ? 70.661 -3.994 -18.962 1.00 29.72 ? 156 TRP D CZ2 1 ATOM 5544 C CZ3 . TRP D 4 157 ? 71.735 -6.120 -19.395 1.00 29.61 ? 156 TRP D CZ3 1 ATOM 5545 C CH2 . TRP D 4 157 ? 71.462 -4.788 -19.743 1.00 30.17 ? 156 TRP D CH2 1 ATOM 5546 N N . TRP D 4 158 ? 69.501 -10.558 -16.023 1.00 28.94 ? 157 TRP D N 1 ATOM 5547 C CA . TRP D 4 158 ? 69.801 -11.920 -15.609 1.00 29.82 ? 157 TRP D CA 1 ATOM 5548 C C . TRP D 4 158 ? 71.249 -12.268 -15.926 1.00 30.73 ? 157 TRP D C 1 ATOM 5549 O O . TRP D 4 158 ? 71.693 -12.137 -17.067 1.00 30.84 ? 157 TRP D O 1 ATOM 5550 C CB . TRP D 4 158 ? 68.834 -12.897 -16.284 1.00 30.06 ? 157 TRP D CB 1 ATOM 5551 C CG . TRP D 4 158 ? 67.397 -12.644 -15.917 1.00 29.45 ? 157 TRP D CG 1 ATOM 5552 C CD1 . TRP D 4 158 ? 66.583 -11.664 -16.412 1.00 28.63 ? 157 TRP D CD1 1 ATOM 5553 C CD2 . TRP D 4 158 ? 66.610 -13.375 -14.971 1.00 30.29 ? 157 TRP D CD2 1 ATOM 5554 N NE1 . TRP D 4 158 ? 65.343 -11.734 -15.829 1.00 28.53 ? 157 TRP D NE1 1 ATOM 5555 C CE2 . TRP D 4 158 ? 65.330 -12.777 -14.941 1.00 29.81 ? 157 TRP D CE2 1 ATOM 5556 C CE3 . TRP D 4 158 ? 66.861 -14.477 -14.145 1.00 31.35 ? 157 TRP D CE3 1 ATOM 5557 C CZ2 . TRP D 4 158 ? 64.299 -13.247 -14.119 1.00 30.74 ? 157 TRP D CZ2 1 ATOM 5558 C CZ3 . TRP D 4 158 ? 65.838 -14.941 -13.327 1.00 32.72 ? 157 TRP D CZ3 1 ATOM 5559 C CH2 . TRP D 4 158 ? 64.572 -14.327 -13.322 1.00 31.90 ? 157 TRP D CH2 1 ATOM 5560 N N . VAL D 4 159 ? 71.987 -12.676 -14.898 1.00 31.72 ? 158 VAL D N 1 ATOM 5561 C CA . VAL D 4 159 ? 73.361 -13.143 -15.067 1.00 32.99 ? 158 VAL D CA 1 ATOM 5562 C C . VAL D 4 159 ? 73.434 -14.599 -14.627 1.00 34.62 ? 158 VAL D C 1 ATOM 5563 O O . VAL D 4 159 ? 73.090 -14.929 -13.489 1.00 35.24 ? 158 VAL D O 1 ATOM 5564 C CB . VAL D 4 159 ? 74.385 -12.296 -14.268 1.00 33.53 ? 158 VAL D CB 1 ATOM 5565 C CG1 . VAL D 4 159 ? 75.803 -12.843 -14.456 1.00 35.07 ? 158 VAL D CG1 1 ATOM 5566 C CG2 . VAL D 4 159 ? 74.318 -10.826 -14.676 1.00 32.10 ? 158 VAL D CG2 1 ATOM 5567 N N . ASN D 4 160 ? 73.876 -15.456 -15.545 1.00 35.63 ? 159 ASN D N 1 ATOM 5568 C CA . ASN D 4 160 ? 73.932 -16.901 -15.338 1.00 37.58 ? 159 ASN D CA 1 ATOM 5569 C C . ASN D 4 160 ? 72.610 -17.495 -14.840 1.00 37.51 ? 159 ASN D C 1 ATOM 5570 O O . ASN D 4 160 ? 72.591 -18.309 -13.916 1.00 39.33 ? 159 ASN D O 1 ATOM 5571 C CB . ASN D 4 160 ? 75.097 -17.273 -14.411 1.00 39.71 ? 159 ASN D CB 1 ATOM 5572 C CG . ASN D 4 160 ? 76.438 -16.765 -14.919 1.00 40.34 ? 159 ASN D CG 1 ATOM 5573 O OD1 . ASN D 4 160 ? 76.764 -16.894 -16.103 1.00 40.53 ? 159 ASN D OD1 1 ATOM 5574 N ND2 . ASN D 4 160 ? 77.225 -16.186 -14.017 1.00 40.85 ? 159 ASN D ND2 1 ATOM 5575 N N . GLY D 4 161 ? 71.509 -17.071 -15.460 1.00 35.82 ? 160 GLY D N 1 ATOM 5576 C CA . GLY D 4 161 ? 70.176 -17.587 -15.152 1.00 35.91 ? 160 GLY D CA 1 ATOM 5577 C C . GLY D 4 161 ? 69.601 -17.141 -13.821 1.00 35.59 ? 160 GLY D C 1 ATOM 5578 O O . GLY D 4 161 ? 68.612 -17.702 -13.350 1.00 36.15 ? 160 GLY D O 1 ATOM 5579 N N . LYS D 4 162 ? 70.226 -16.134 -13.216 1.00 34.99 ? 161 LYS D N 1 ATOM 5580 C CA . LYS D 4 162 ? 69.773 -15.583 -11.938 1.00 35.21 ? 161 LYS D CA 1 ATOM 5581 C C . LYS D 4 162 ? 69.643 -14.064 -11.998 1.00 33.45 ? 161 LYS D C 1 ATOM 5582 O O . LYS D 4 162 ? 70.508 -13.374 -12.544 1.00 32.73 ? 161 LYS D O 1 ATOM 5583 C CB . LYS D 4 162 ? 70.691 -16.025 -10.792 1.00 37.18 ? 161 LYS D CB 1 ATOM 5584 C CG . LYS D 4 162 ? 70.554 -17.508 -10.447 1.00 39.73 ? 161 LYS D CG 1 ATOM 5585 C CD . LYS D 4 162 ? 71.378 -17.918 -9.238 1.00 42.28 ? 161 LYS D CD 1 ATOM 5586 C CE . LYS D 4 162 ? 71.013 -19.331 -8.798 1.00 45.39 ? 161 LYS D CE 1 ATOM 5587 N NZ . LYS D 4 162 ? 71.838 -19.820 -7.654 1.00 48.41 ? 161 LYS D NZ 1 ATOM 5588 N N . GLU D 4 163 ? 68.546 -13.558 -11.442 1.00 33.29 ? 162 GLU D N 1 ATOM 5589 C CA . GLU D 4 163 ? 68.204 -12.141 -11.519 1.00 32.20 ? 162 GLU D CA 1 ATOM 5590 C C . GLU D 4 163 ? 69.129 -11.283 -10.664 1.00 32.84 ? 162 GLU D C 1 ATOM 5591 O O . GLU D 4 163 ? 69.422 -11.621 -9.517 1.00 34.45 ? 162 GLU D O 1 ATOM 5592 C CB . GLU D 4 163 ? 66.742 -11.917 -11.111 1.00 32.13 ? 162 GLU D CB 1 ATOM 5593 C CG . GLU D 4 163 ? 66.251 -10.484 -11.299 1.00 31.49 ? 162 GLU D CG 1 ATOM 5594 C CD . GLU D 4 163 ? 64.742 -10.337 -11.184 1.00 32.51 ? 162 GLU D CD 1 ATOM 5595 O OE1 . GLU D 4 163 ? 64.063 -11.302 -10.762 1.00 34.20 ? 162 GLU D OE1 1 ATOM 5596 O OE2 . GLU D 4 163 ? 64.235 -9.241 -11.516 1.00 31.94 ? 162 GLU D OE2 1 ATOM 5597 N N . VAL D 4 164 ? 69.584 -10.174 -11.238 1.00 32.07 ? 163 VAL D N 1 ATOM 5598 C CA . VAL D 4 164 ? 70.427 -9.227 -10.520 1.00 32.95 ? 163 VAL D CA 1 ATOM 5599 C C . VAL D 4 164 ? 69.709 -7.893 -10.291 1.00 32.97 ? 163 VAL D C 1 ATOM 5600 O O . VAL D 4 164 ? 68.838 -7.493 -11.074 1.00 32.01 ? 163 VAL D O 1 ATOM 5601 C CB . VAL D 4 164 ? 71.794 -9.008 -11.226 1.00 32.78 ? 163 VAL D CB 1 ATOM 5602 C CG1 . VAL D 4 164 ? 72.594 -10.297 -11.241 1.00 33.71 ? 163 VAL D CG1 1 ATOM 5603 C CG2 . VAL D 4 164 ? 71.605 -8.489 -12.639 1.00 31.45 ? 163 VAL D CG2 1 ATOM 5604 N N . HIS D 4 165 ? 70.074 -7.221 -9.203 1.00 34.53 ? 164 HIS D N 1 ATOM 5605 C CA . HIS D 4 165 ? 69.528 -5.911 -8.873 1.00 35.03 ? 164 HIS D CA 1 ATOM 5606 C C . HIS D 4 165 ? 70.641 -4.910 -8.579 1.00 35.90 ? 164 HIS D C 1 ATOM 5607 O O . HIS D 4 165 ? 70.499 -3.720 -8.860 1.00 36.03 ? 164 HIS D O 1 ATOM 5608 C CB . HIS D 4 165 ? 68.552 -6.011 -7.697 1.00 36.39 ? 164 HIS D CB 1 ATOM 5609 C CG . HIS D 4 165 ? 67.334 -6.829 -8.000 1.00 36.75 ? 164 HIS D CG 1 ATOM 5610 N ND1 . HIS D 4 165 ? 66.314 -6.375 -8.812 1.00 36.42 ? 164 HIS D ND1 1 ATOM 5611 C CD2 . HIS D 4 165 ? 66.978 -8.077 -7.612 1.00 38.02 ? 164 HIS D CD2 1 ATOM 5612 C CE1 . HIS D 4 165 ? 65.380 -7.306 -8.905 1.00 36.41 ? 164 HIS D CE1 1 ATOM 5613 N NE2 . HIS D 4 165 ? 65.758 -8.348 -8.185 1.00 37.75 ? 164 HIS D NE2 1 ATOM 5614 N N . SER D 4 166 ? 71.744 -5.400 -8.017 1.00 36.80 ? 165 SER D N 1 ATOM 5615 C CA . SER D 4 166 ? 72.917 -4.571 -7.777 1.00 37.98 ? 165 SER D CA 1 ATOM 5616 C C . SER D 4 166 ? 73.486 -4.070 -9.101 1.00 37.03 ? 165 SER D C 1 ATOM 5617 O O . SER D 4 166 ? 73.611 -4.832 -10.062 1.00 35.97 ? 165 SER D O 1 ATOM 5618 C CB . SER D 4 166 ? 73.976 -5.353 -6.996 1.00 39.55 ? 165 SER D CB 1 ATOM 5619 O OG . SER D 4 166 ? 75.169 -4.601 -6.850 1.00 40.93 ? 165 SER D OG 1 ATOM 5620 N N . GLY D 4 167 ? 73.805 -2.779 -9.148 1.00 37.90 ? 166 GLY D N 1 ATOM 5621 C CA . GLY D 4 167 ? 74.373 -2.157 -10.344 1.00 37.61 ? 166 GLY D CA 1 ATOM 5622 C C . GLY D 4 167 ? 73.371 -1.950 -11.465 1.00 36.08 ? 166 GLY D C 1 ATOM 5623 O O . GLY D 4 167 ? 73.753 -1.705 -12.611 1.00 35.96 ? 166 GLY D O 1 ATOM 5624 N N . VAL D 4 168 ? 72.087 -2.047 -11.132 1.00 35.38 ? 167 VAL D N 1 ATOM 5625 C CA . VAL D 4 168 ? 71.013 -1.891 -12.108 1.00 34.35 ? 167 VAL D CA 1 ATOM 5626 C C . VAL D 4 168 ? 70.265 -0.587 -11.863 1.00 35.59 ? 167 VAL D C 1 ATOM 5627 O O . VAL D 4 168 ? 70.046 -0.197 -10.713 1.00 36.84 ? 167 VAL D O 1 ATOM 5628 C CB . VAL D 4 168 ? 70.010 -3.085 -12.044 1.00 32.98 ? 167 VAL D CB 1 ATOM 5629 C CG1 . VAL D 4 168 ? 68.822 -2.872 -12.981 1.00 31.91 ? 167 VAL D CG1 1 ATOM 5630 C CG2 . VAL D 4 168 ? 70.706 -4.397 -12.375 1.00 32.50 ? 167 VAL D CG2 1 ATOM 5631 N N . CYS D 4 169 ? 69.894 0.094 -12.946 1.00 35.81 ? 168 CYS D N 1 ATOM 5632 C CA . CYS D 4 169 ? 68.892 1.154 -12.872 1.00 37.19 ? 168 CYS D CA 1 ATOM 5633 C C . CYS D 4 169 ? 68.127 1.283 -14.189 1.00 36.45 ? 168 CYS D C 1 ATOM 5634 O O . CYS D 4 169 ? 68.722 1.420 -15.257 1.00 36.59 ? 168 CYS D O 1 ATOM 5635 C CB . CYS D 4 169 ? 69.506 2.486 -12.433 1.00 39.54 ? 168 CYS D CB 1 ATOM 5636 S SG . CYS D 4 169 ? 69.752 3.688 -13.738 1.00 42.53 ? 168 CYS D SG 1 ATOM 5637 N N . THR D 4 170 ? 66.802 1.215 -14.093 1.00 36.20 ? 169 THR D N 1 ATOM 5638 C CA . THR D 4 170 ? 65.916 1.309 -15.250 1.00 35.77 ? 169 THR D CA 1 ATOM 5639 C C . THR D 4 170 ? 65.142 2.614 -15.156 1.00 37.71 ? 169 THR D C 1 ATOM 5640 O O . THR D 4 170 ? 64.795 3.054 -14.056 1.00 38.79 ? 169 THR D O 1 ATOM 5641 C CB . THR D 4 170 ? 64.924 0.116 -15.309 1.00 34.18 ? 169 THR D CB 1 ATOM 5642 O OG1 . THR D 4 170 ? 65.643 -1.118 -15.209 1.00 32.89 ? 169 THR D OG1 1 ATOM 5643 C CG2 . THR D 4 170 ? 64.128 0.117 -16.607 1.00 33.72 ? 169 THR D CG2 1 ATOM 5644 N N . ASP D 4 171 ? 64.882 3.227 -16.310 1.00 38.57 ? 170 ASP D N 1 ATOM 5645 C CA . ASP D 4 171 ? 64.135 4.481 -16.382 1.00 40.89 ? 170 ASP D CA 1 ATOM 5646 C C . ASP D 4 171 ? 62.831 4.381 -15.600 1.00 41.06 ? 170 ASP D C 1 ATOM 5647 O O . ASP D 4 171 ? 62.145 3.359 -15.676 1.00 39.49 ? 170 ASP D O 1 ATOM 5648 C CB . ASP D 4 171 ? 63.839 4.852 -17.837 1.00 41.70 ? 170 ASP D CB 1 ATOM 5649 C CG . ASP D 4 171 ? 65.095 4.996 -18.682 1.00 42.60 ? 170 ASP D CG 1 ATOM 5650 O OD1 . ASP D 4 171 ? 66.194 5.208 -18.122 1.00 43.22 ? 170 ASP D OD1 1 ATOM 5651 O OD2 . ASP D 4 171 ? 64.974 4.900 -19.922 1.00 43.59 ? 170 ASP D OD2 1 ATOM 5652 N N . PRO D 4 172 ? 62.489 5.437 -14.835 1.00 43.44 ? 171 PRO D N 1 ATOM 5653 C CA . PRO D 4 172 ? 61.237 5.419 -14.084 1.00 44.20 ? 171 PRO D CA 1 ATOM 5654 C C . PRO D 4 172 ? 60.049 5.320 -15.032 1.00 44.35 ? 171 PRO D C 1 ATOM 5655 O O . PRO D 4 172 ? 59.090 4.602 -14.746 1.00 43.75 ? 171 PRO D O 1 ATOM 5656 C CB . PRO D 4 172 ? 61.233 6.773 -13.363 1.00 47.29 ? 171 PRO D CB 1 ATOM 5657 C CG . PRO D 4 172 ? 62.647 7.235 -13.379 1.00 47.77 ? 171 PRO D CG 1 ATOM 5658 C CD . PRO D 4 172 ? 63.216 6.706 -14.653 1.00 46.01 ? 171 PRO D CD 1 ATOM 5659 N N . GLN D 4 173 ? 60.133 6.025 -16.159 1.00 45.66 ? 172 GLN D N 1 ATOM 5660 C CA . GLN D 4 173 ? 59.071 6.024 -17.164 1.00 46.34 ? 172 GLN D CA 1 ATOM 5661 C C . GLN D 4 173 ? 59.616 5.749 -18.565 1.00 45.38 ? 172 GLN D C 1 ATOM 5662 O O . GLN D 4 173 ? 60.764 6.081 -18.859 1.00 45.68 ? 172 GLN D O 1 ATOM 5663 C CB . GLN D 4 173 ? 58.307 7.356 -17.141 1.00 49.79 ? 172 GLN D CB 1 ATOM 5664 C CG . GLN D 4 173 ? 57.383 7.544 -15.931 1.00 51.86 ? 172 GLN D CG 1 ATOM 5665 C CD . GLN D 4 173 ? 56.094 6.726 -16.023 1.00 52.29 ? 172 GLN D CD 1 ATOM 5666 O OE1 . GLN D 4 173 ? 56.103 5.497 -15.885 1.00 49.82 ? 172 GLN D OE1 1 ATOM 5667 N NE2 . GLN D 4 173 ? 54.975 7.416 -16.243 1.00 54.95 ? 172 GLN D NE2 1 ATOM 5668 N N . PRO D 4 174 ? 58.799 5.121 -19.431 1.00 44.66 ? 173 PRO D N 1 ATOM 5669 C CA . PRO D 4 174 ? 59.170 5.006 -20.842 1.00 44.55 ? 173 PRO D CA 1 ATOM 5670 C C . PRO D 4 174 ? 58.956 6.340 -21.535 1.00 47.53 ? 173 PRO D C 1 ATOM 5671 O O . PRO D 4 174 ? 58.187 7.165 -21.042 1.00 49.57 ? 173 PRO D O 1 ATOM 5672 C CB . PRO D 4 174 ? 58.175 3.975 -21.395 1.00 43.54 ? 173 PRO D CB 1 ATOM 5673 C CG . PRO D 4 174 ? 57.485 3.375 -20.192 1.00 42.75 ? 173 PRO D CG 1 ATOM 5674 C CD . PRO D 4 174 ? 57.533 4.427 -19.135 1.00 44.14 ? 173 PRO D CD 1 ATOM 5675 N N . LEU D 4 175 ? 59.636 6.561 -22.655 1.00 48.19 ? 174 LEU D N 1 ATOM 5676 C CA . LEU D 4 175 ? 59.392 7.762 -23.448 1.00 51.57 ? 174 LEU D CA 1 ATOM 5677 C C . LEU D 4 175 ? 58.598 7.454 -24.713 1.00 52.34 ? 174 LEU D C 1 ATOM 5678 O O . LEU D 4 175 ? 58.626 6.329 -25.212 1.00 50.37 ? 174 LEU D O 1 ATOM 5679 C CB . LEU D 4 175 ? 60.692 8.522 -23.764 1.00 53.27 ? 174 LEU D CB 1 ATOM 5680 C CG . LEU D 4 175 ? 62.004 7.833 -24.150 1.00 51.86 ? 174 LEU D CG 1 ATOM 5681 C CD1 . LEU D 4 175 ? 61.934 7.220 -25.533 1.00 52.34 ? 174 LEU D CD1 1 ATOM 5682 C CD2 . LEU D 4 175 ? 63.144 8.842 -24.088 1.00 54.05 ? 174 LEU D CD2 1 ATOM 5683 N N . LYS D 4 176 ? 57.873 8.454 -25.207 1.00 55.58 ? 175 LYS D N 1 ATOM 5684 C CA . LYS D 4 176 ? 57.095 8.315 -26.432 1.00 57.12 ? 175 LYS D CA 1 ATOM 5685 C C . LYS D 4 176 ? 57.981 8.545 -27.649 1.00 58.85 ? 175 LYS D C 1 ATOM 5686 O O . LYS D 4 176 ? 58.729 9.524 -27.708 1.00 61.15 ? 175 LYS D O 1 ATOM 5687 C CB . LYS D 4 176 ? 55.914 9.289 -26.440 1.00 60.47 ? 175 LYS D CB 1 ATOM 5688 C CG . LYS D 4 176 ? 54.888 9.023 -25.350 1.00 59.40 ? 175 LYS D CG 1 ATOM 5689 C CD . LYS D 4 176 ? 53.608 9.801 -25.585 1.00 63.28 ? 175 LYS D CD 1 ATOM 5690 C CE . LYS D 4 176 ? 52.533 9.408 -24.586 1.00 62.37 ? 175 LYS D CE 1 ATOM 5691 N NZ . LYS D 4 176 ? 51.271 10.168 -24.822 1.00 66.58 ? 175 LYS D NZ 1 ATOM 5692 N N . GLU D 4 177 ? 57.900 7.629 -28.612 1.00 58.09 ? 176 GLU D N 1 ATOM 5693 C CA . GLU D 4 177 ? 58.680 7.725 -29.844 1.00 60.04 ? 176 GLU D CA 1 ATOM 5694 C C . GLU D 4 177 ? 58.129 8.812 -30.764 1.00 64.89 ? 176 GLU D C 1 ATOM 5695 O O . GLU D 4 177 ? 58.890 9.500 -31.449 1.00 67.87 ? 176 GLU D O 1 ATOM 5696 C CB . GLU D 4 177 ? 58.719 6.376 -30.566 1.00 58.17 ? 176 GLU D CB 1 ATOM 5697 C CG . GLU D 4 177 ? 59.432 5.270 -29.786 1.00 53.84 ? 176 GLU D CG 1 ATOM 5698 C CD . GLU D 4 177 ? 59.484 3.949 -30.534 1.00 52.38 ? 176 GLU D CD 1 ATOM 5699 O OE1 . GLU D 4 177 ? 58.915 3.857 -31.642 1.00 55.12 ? 176 GLU D OE1 1 ATOM 5700 O OE2 . GLU D 4 177 ? 60.097 2.996 -30.014 1.00 49.23 ? 176 GLU D OE2 1 ATOM 5701 N N . GLN D 4 178 ? 56.805 8.956 -30.769 1.00 66.05 ? 177 GLN D N 1 ATOM 5702 C CA . GLN D 4 178 ? 56.129 10.016 -31.510 1.00 70.93 ? 177 GLN D CA 1 ATOM 5703 C C . GLN D 4 178 ? 55.284 10.852 -30.541 1.00 72.05 ? 177 GLN D C 1 ATOM 5704 O O . GLN D 4 178 ? 54.077 10.627 -30.423 1.00 72.21 ? 177 GLN D O 1 ATOM 5705 C CB . GLN D 4 178 ? 55.235 9.429 -32.611 1.00 72.36 ? 177 GLN D CB 1 ATOM 5706 C CG . GLN D 4 178 ? 55.892 8.387 -33.515 1.00 71.24 ? 177 GLN D CG 1 ATOM 5707 C CD . GLN D 4 178 ? 56.761 8.992 -34.602 1.00 75.05 ? 177 GLN D CD 1 ATOM 5708 O OE1 . GLN D 4 178 ? 56.616 10.162 -34.960 1.00 79.31 ? 177 GLN D OE1 1 ATOM 5709 N NE2 . GLN D 4 178 ? 57.668 8.186 -35.141 1.00 73.97 ? 177 GLN D NE2 1 ATOM 5710 N N . PRO D 4 179 ? 55.910 11.821 -29.841 1.00 73.18 ? 178 PRO D N 1 ATOM 5711 C CA . PRO D 4 179 ? 55.170 12.642 -28.875 1.00 74.64 ? 178 PRO D CA 1 ATOM 5712 C C . PRO D 4 179 ? 54.010 13.423 -29.505 1.00 79.38 ? 178 PRO D C 1 ATOM 5713 O O . PRO D 4 179 ? 53.066 13.793 -28.803 1.00 80.37 ? 178 PRO D O 1 ATOM 5714 C CB . PRO D 4 179 ? 56.236 13.605 -28.340 1.00 76.05 ? 178 PRO D CB 1 ATOM 5715 C CG . PRO D 4 179 ? 57.532 12.916 -28.595 1.00 73.35 ? 178 PRO D CG 1 ATOM 5716 C CD . PRO D 4 179 ? 57.336 12.192 -29.886 1.00 73.46 ? 178 PRO D CD 1 ATOM 5717 N N . ALA D 4 180 ? 54.087 13.663 -30.813 1.00 82.62 ? 179 ALA D N 1 ATOM 5718 C CA . ALA D 4 180 ? 53.013 14.334 -31.546 1.00 87.52 ? 179 ALA D CA 1 ATOM 5719 C C . ALA D 4 180 ? 51.796 13.426 -31.732 1.00 86.15 ? 179 ALA D C 1 ATOM 5720 O O . ALA D 4 180 ? 50.656 13.884 -31.635 1.00 88.86 ? 179 ALA D O 1 ATOM 5721 C CB . ALA D 4 180 ? 53.517 14.839 -32.894 1.00 91.77 ? 179 ALA D CB 1 ATOM 5722 N N . LEU D 4 181 ? 52.048 12.143 -31.995 1.00 82.27 ? 180 LEU D N 1 ATOM 5723 C CA . LEU D 4 181 ? 50.982 11.158 -32.185 1.00 80.92 ? 180 LEU D CA 1 ATOM 5724 C C . LEU D 4 181 ? 50.357 10.728 -30.853 1.00 77.85 ? 180 LEU D C 1 ATOM 5725 O O . LEU D 4 181 ? 51.050 10.617 -29.836 1.00 74.82 ? 180 LEU D O 1 ATOM 5726 C CB . LEU D 4 181 ? 51.505 9.943 -32.952 1.00 78.38 ? 180 LEU D CB 1 ATOM 5727 N N . ASN D 4 182 ? 49.047 10.481 -30.877 1.00 79.08 ? 181 ASN D N 1 ATOM 5728 C CA . ASN D 4 182 ? 48.264 10.186 -29.670 1.00 77.29 ? 181 ASN D CA 1 ATOM 5729 C C . ASN D 4 182 ? 48.561 8.825 -29.036 1.00 72.12 ? 181 ASN D C 1 ATOM 5730 O O . ASN D 4 182 ? 48.858 8.742 -27.840 1.00 69.67 ? 181 ASN D O 1 ATOM 5731 C CB . ASN D 4 182 ? 46.763 10.326 -29.959 1.00 80.60 ? 181 ASN D CB 1 ATOM 5732 N N . ASP D 4 183 ? 48.473 7.767 -29.843 1.00 70.86 ? 182 ASP D N 1 ATOM 5733 C CA . ASP D 4 183 ? 48.733 6.402 -29.384 1.00 66.46 ? 182 ASP D CA 1 ATOM 5734 C C . ASP D 4 183 ? 50.129 5.942 -29.813 1.00 64.11 ? 182 ASP D C 1 ATOM 5735 O O . ASP D 4 183 ? 50.302 4.868 -30.398 1.00 62.76 ? 182 ASP D O 1 ATOM 5736 C CB . ASP D 4 183 ? 47.638 5.440 -29.876 1.00 66.90 ? 182 ASP D CB 1 ATOM 5737 C CG . ASP D 4 183 ? 47.185 5.737 -31.302 1.00 71.39 ? 182 ASP D CG 1 ATOM 5738 O OD1 . ASP D 4 183 ? 48.046 6.019 -32.165 1.00 73.02 ? 182 ASP D OD1 1 ATOM 5739 O OD2 . ASP D 4 183 ? 45.960 5.687 -31.560 1.00 74.14 ? 182 ASP D OD2 1 ATOM 5740 N N . SER D 4 184 ? 51.119 6.775 -29.504 1.00 64.02 ? 183 SER D N 1 ATOM 5741 C CA . SER D 4 184 ? 52.510 6.536 -29.869 1.00 62.30 ? 183 SER D CA 1 ATOM 5742 C C . SER D 4 184 ? 53.078 5.297 -29.197 1.00 57.77 ? 183 SER D C 1 ATOM 5743 O O . SER D 4 184 ? 52.750 5.004 -28.048 1.00 55.73 ? 183 SER D O 1 ATOM 5744 C CB . SER D 4 184 ? 53.358 7.749 -29.489 1.00 63.64 ? 183 SER D CB 1 ATOM 5745 O OG . SER D 4 184 ? 54.733 7.521 -29.741 1.00 62.36 ? 183 SER D OG 1 ATOM 5746 N N . ARG D 4 185 ? 53.928 4.578 -29.927 1.00 56.64 ? 184 ARG D N 1 ATOM 5747 C CA . ARG D 4 185 ? 54.681 3.457 -29.367 1.00 52.81 ? 184 ARG D CA 1 ATOM 5748 C C . ARG D 4 185 ? 55.771 3.986 -28.440 1.00 51.13 ? 184 ARG D C 1 ATOM 5749 O O . ARG D 4 185 ? 56.257 5.106 -28.618 1.00 53.19 ? 184 ARG D O 1 ATOM 5750 C CB . ARG D 4 185 ? 55.282 2.583 -30.476 1.00 52.86 ? 184 ARG D CB 1 ATOM 5751 C CG . ARG D 4 185 ? 54.336 1.521 -31.040 1.00 53.70 ? 184 ARG D CG 1 ATOM 5752 C CD . ARG D 4 185 ? 53.414 2.088 -32.109 1.00 59.34 ? 184 ARG D CD 1 ATOM 5753 N NE . ARG D 4 185 ? 52.420 1.120 -32.581 1.00 61.29 ? 184 ARG D NE 1 ATOM 5754 C CZ . ARG D 4 185 ? 52.600 0.278 -33.599 1.00 62.99 ? 184 ARG D CZ 1 ATOM 5755 N NH1 . ARG D 4 185 ? 53.750 0.252 -34.266 1.00 63.62 ? 184 ARG D NH1 1 ATOM 5756 N NH2 . ARG D 4 185 ? 51.625 -0.552 -33.949 1.00 64.10 ? 184 ARG D NH2 1 ATOM 5757 N N . TYR D 4 186 ? 56.147 3.178 -27.452 1.00 47.65 ? 185 TYR D N 1 ATOM 5758 C CA . TYR D 4 186 ? 57.070 3.607 -26.407 1.00 46.14 ? 185 TYR D CA 1 ATOM 5759 C C . TYR D 4 186 ? 58.457 2.985 -26.535 1.00 44.33 ? 185 TYR D C 1 ATOM 5760 O O . TYR D 4 186 ? 58.638 1.976 -27.218 1.00 43.53 ? 185 TYR D O 1 ATOM 5761 C CB . TYR D 4 186 ? 56.494 3.266 -25.031 1.00 44.34 ? 185 TYR D CB 1 ATOM 5762 C CG . TYR D 4 186 ? 55.230 4.010 -24.673 1.00 46.18 ? 185 TYR D CG 1 ATOM 5763 C CD1 . TYR D 4 186 ? 55.287 5.259 -24.058 1.00 47.71 ? 185 TYR D CD1 1 ATOM 5764 C CD2 . TYR D 4 186 ? 53.975 3.458 -24.931 1.00 46.46 ? 185 TYR D CD2 1 ATOM 5765 C CE1 . TYR D 4 186 ? 54.129 5.944 -23.716 1.00 50.14 ? 185 TYR D CE1 1 ATOM 5766 C CE2 . TYR D 4 186 ? 52.809 4.138 -24.594 1.00 48.80 ? 185 TYR D CE2 1 ATOM 5767 C CZ . TYR D 4 186 ? 52.895 5.380 -23.987 1.00 50.58 ? 185 TYR D CZ 1 ATOM 5768 O OH . TYR D 4 186 ? 51.749 6.064 -23.650 1.00 53.23 ? 185 TYR D OH 1 ATOM 5769 N N . SER D 4 187 ? 59.431 3.601 -25.869 1.00 43.96 ? 186 SER D N 1 ATOM 5770 C CA . SER D 4 187 ? 60.761 3.014 -25.702 1.00 42.23 ? 186 SER D CA 1 ATOM 5771 C C . SER D 4 187 ? 61.196 3.051 -24.239 1.00 40.52 ? 186 SER D C 1 ATOM 5772 O O . SER D 4 187 ? 60.837 3.972 -23.501 1.00 41.61 ? 186 SER D O 1 ATOM 5773 C CB . SER D 4 187 ? 61.796 3.722 -26.578 1.00 44.26 ? 186 SER D CB 1 ATOM 5774 O OG . SER D 4 187 ? 61.708 3.289 -27.919 1.00 45.35 ? 186 SER D OG 1 ATOM 5775 N N . LEU D 4 188 ? 61.963 2.045 -23.827 1.00 38.24 ? 187 LEU D N 1 ATOM 5776 C CA . LEU D 4 188 ? 62.490 1.979 -22.468 1.00 36.83 ? 187 LEU D CA 1 ATOM 5777 C C . LEU D 4 188 ? 63.969 1.625 -22.462 1.00 36.25 ? 187 LEU D C 1 ATOM 5778 O O . LEU D 4 188 ? 64.426 0.795 -23.254 1.00 35.77 ? 187 LEU D O 1 ATOM 5779 C CB . LEU D 4 188 ? 61.699 0.974 -21.620 1.00 34.86 ? 187 LEU D CB 1 ATOM 5780 C CG . LEU D 4 188 ? 62.061 0.827 -20.134 1.00 33.58 ? 187 LEU D CG 1 ATOM 5781 C CD1 . LEU D 4 188 ? 62.000 2.157 -19.397 1.00 34.66 ? 187 LEU D CD1 1 ATOM 5782 C CD2 . LEU D 4 188 ? 61.160 -0.195 -19.453 1.00 32.08 ? 187 LEU D CD2 1 ATOM 5783 N N . SER D 4 189 ? 64.711 2.261 -21.562 1.00 36.65 ? 188 SER D N 1 ATOM 5784 C CA . SER D 4 189 ? 66.134 1.997 -21.413 1.00 36.47 ? 188 SER D CA 1 ATOM 5785 C C . SER D 4 189 ? 66.480 1.503 -20.009 1.00 35.01 ? 188 SER D C 1 ATOM 5786 O O . SER D 4 189 ? 65.845 1.896 -19.027 1.00 35.09 ? 188 SER D O 1 ATOM 5787 C CB . SER D 4 189 ? 66.941 3.248 -21.747 1.00 38.87 ? 188 SER D CB 1 ATOM 5788 O OG . SER D 4 189 ? 68.325 3.006 -21.592 1.00 39.31 ? 188 SER D OG 1 ATOM 5789 N N . SER D 4 190 ? 67.489 0.639 -19.930 1.00 34.00 ? 189 SER D N 1 ATOM 5790 C CA . SER D 4 190 ? 67.990 0.126 -18.655 1.00 32.98 ? 189 SER D CA 1 ATOM 5791 C C . SER D 4 190 ? 69.490 -0.138 -18.724 1.00 33.30 ? 189 SER D C 1 ATOM 5792 O O . SER D 4 190 ? 70.049 -0.312 -19.808 1.00 33.73 ? 189 SER D O 1 ATOM 5793 C CB . SER D 4 190 ? 67.251 -1.147 -18.258 1.00 31.30 ? 189 SER D CB 1 ATOM 5794 O OG . SER D 4 190 ? 67.669 -1.601 -16.985 1.00 30.95 ? 189 SER D OG 1 ATOM 5795 N N . ARG D 4 191 ? 70.133 -0.174 -17.559 1.00 33.33 ? 190 ARG D N 1 ATOM 5796 C CA . ARG D 4 191 ? 71.583 -0.314 -17.481 1.00 34.03 ? 190 ARG D CA 1 ATOM 5797 C C . ARG D 4 191 ? 71.992 -1.330 -16.431 1.00 33.15 ? 190 ARG D C 1 ATOM 5798 O O . ARG D 4 191 ? 71.349 -1.450 -15.383 1.00 32.55 ? 190 ARG D O 1 ATOM 5799 C CB . ARG D 4 191 ? 72.231 1.031 -17.154 1.00 36.21 ? 190 ARG D CB 1 ATOM 5800 C CG . ARG D 4 191 ? 71.923 2.122 -18.148 1.00 38.40 ? 190 ARG D CG 1 ATOM 5801 C CD . ARG D 4 191 ? 71.474 3.367 -17.430 1.00 41.74 ? 190 ARG D CD 1 ATOM 5802 N NE . ARG D 4 191 ? 70.659 4.221 -18.289 1.00 44.62 ? 190 ARG D NE 1 ATOM 5803 C CZ . ARG D 4 191 ? 69.341 4.104 -18.440 1.00 44.79 ? 190 ARG D CZ 1 ATOM 5804 N NH1 . ARG D 4 191 ? 68.692 4.933 -19.248 1.00 47.01 ? 190 ARG D NH1 1 ATOM 5805 N NH2 . ARG D 4 191 ? 68.665 3.167 -17.784 1.00 42.78 ? 190 ARG D NH2 1 ATOM 5806 N N . LEU D 4 192 ? 73.066 -2.059 -16.728 1.00 33.34 ? 191 LEU D N 1 ATOM 5807 C CA . LEU D 4 192 ? 73.704 -2.955 -15.768 1.00 33.12 ? 191 LEU D CA 1 ATOM 5808 C C . LEU D 4 192 ? 75.198 -2.681 -15.744 1.00 34.69 ? 191 LEU D C 1 ATOM 5809 O O . LEU D 4 192 ? 75.881 -2.855 -16.752 1.00 35.35 ? 191 LEU D O 1 ATOM 5810 C CB . LEU D 4 192 ? 73.431 -4.425 -16.115 1.00 31.84 ? 191 LEU D CB 1 ATOM 5811 C CG . LEU D 4 192 ? 74.148 -5.501 -15.284 1.00 32.32 ? 191 LEU D CG 1 ATOM 5812 C CD1 . LEU D 4 192 ? 73.876 -5.343 -13.789 1.00 32.79 ? 191 LEU D CD1 1 ATOM 5813 C CD2 . LEU D 4 192 ? 73.777 -6.907 -15.747 1.00 31.27 ? 191 LEU D CD2 1 ATOM 5814 N N . ARG D 4 193 ? 75.704 -2.243 -14.596 1.00 35.75 ? 192 ARG D N 1 ATOM 5815 C CA . ARG D 4 193 ? 77.134 -1.971 -14.467 1.00 37.62 ? 192 ARG D CA 1 ATOM 5816 C C . ARG D 4 193 ? 77.848 -3.007 -13.609 1.00 37.93 ? 192 ARG D C 1 ATOM 5817 O O . ARG D 4 193 ? 77.493 -3.232 -12.451 1.00 37.89 ? 192 ARG D O 1 ATOM 5818 C CB . ARG D 4 193 ? 77.394 -0.559 -13.942 1.00 39.42 ? 192 ARG D CB 1 ATOM 5819 C CG . ARG D 4 193 ? 78.708 0.026 -14.438 1.00 41.89 ? 192 ARG D CG 1 ATOM 5820 C CD . ARG D 4 193 ? 78.823 1.501 -14.107 1.00 44.21 ? 192 ARG D CD 1 ATOM 5821 N NE . ARG D 4 193 ? 80.080 2.075 -14.579 1.00 46.42 ? 192 ARG D NE 1 ATOM 5822 C CZ . ARG D 4 193 ? 80.575 3.236 -14.163 1.00 49.33 ? 192 ARG D CZ 1 ATOM 5823 N NH1 . ARG D 4 193 ? 81.725 3.685 -14.650 1.00 52.04 ? 192 ARG D NH1 1 ATOM 5824 N NH2 . ARG D 4 193 ? 79.927 3.950 -13.253 1.00 49.90 ? 192 ARG D NH2 1 ATOM 5825 N N . VAL D 4 194 ? 78.850 -3.640 -14.206 1.00 38.67 ? 193 VAL D N 1 ATOM 5826 C CA . VAL D 4 194 ? 79.679 -4.620 -13.517 1.00 39.55 ? 193 VAL D CA 1 ATOM 5827 C C . VAL D 4 194 ? 81.133 -4.171 -13.566 1.00 42.04 ? 193 VAL D C 1 ATOM 5828 O O . VAL D 4 194 ? 81.470 -3.228 -14.283 1.00 42.88 ? 193 VAL D O 1 ATOM 5829 C CB . VAL D 4 194 ? 79.539 -6.036 -14.137 1.00 38.69 ? 193 VAL D CB 1 ATOM 5830 C CG1 . VAL D 4 194 ? 78.201 -6.653 -13.760 1.00 36.91 ? 193 VAL D CG1 1 ATOM 5831 C CG2 . VAL D 4 194 ? 79.718 -5.998 -15.658 1.00 38.37 ? 193 VAL D CG2 1 ATOM 5832 N N . SER D 4 195 ? 81.988 -4.836 -12.793 1.00 43.53 ? 194 SER D N 1 ATOM 5833 C CA . SER D 4 195 ? 83.424 -4.602 -12.873 1.00 46.17 ? 194 SER D CA 1 ATOM 5834 C C . SER D 4 195 ? 83.942 -5.194 -14.177 1.00 46.56 ? 194 SER D C 1 ATOM 5835 O O . SER D 4 195 ? 83.409 -6.197 -14.662 1.00 45.07 ? 194 SER D O 1 ATOM 5836 C CB . SER D 4 195 ? 84.145 -5.236 -11.686 1.00 47.83 ? 194 SER D CB 1 ATOM 5837 O OG . SER D 4 195 ? 84.089 -6.650 -11.757 1.00 47.47 ? 194 SER D OG 1 ATOM 5838 N N . ALA D 4 196 ? 84.976 -4.568 -14.738 1.00 48.83 ? 195 ALA D N 1 ATOM 5839 C CA . ALA D 4 196 ? 85.596 -5.034 -15.975 1.00 49.90 ? 195 ALA D CA 1 ATOM 5840 C C . ALA D 4 196 ? 85.999 -6.503 -15.872 1.00 50.44 ? 195 ALA D C 1 ATOM 5841 O O . ALA D 4 196 ? 85.796 -7.278 -16.808 1.00 49.97 ? 195 ALA D O 1 ATOM 5842 C CB . ALA D 4 196 ? 86.795 -4.173 -16.320 1.00 52.89 ? 195 ALA D CB 1 ATOM 5843 N N . THR D 4 197 ? 86.546 -6.882 -14.720 1.00 51.73 ? 196 THR D N 1 ATOM 5844 C CA . THR D 4 197 ? 86.980 -8.256 -14.483 1.00 52.94 ? 196 THR D CA 1 ATOM 5845 C C . THR D 4 197 ? 85.812 -9.256 -14.517 1.00 50.70 ? 196 THR D C 1 ATOM 5846 O O . THR D 4 197 ? 85.989 -10.407 -14.917 1.00 51.52 ? 196 THR D O 1 ATOM 5847 C CB . THR D 4 197 ? 87.835 -8.378 -13.184 1.00 55.18 ? 196 THR D CB 1 ATOM 5848 O OG1 . THR D 4 197 ? 88.498 -9.644 -13.158 1.00 57.28 ? 196 THR D OG1 1 ATOM 5849 C CG2 . THR D 4 197 ? 86.992 -8.217 -11.922 1.00 53.97 ? 196 THR D CG2 1 ATOM 5850 N N . PHE D 4 198 ? 84.621 -8.805 -14.123 1.00 48.41 ? 197 PHE D N 1 ATOM 5851 C CA . PHE D 4 198 ? 83.417 -9.629 -14.223 1.00 46.32 ? 197 PHE D CA 1 ATOM 5852 C C . PHE D 4 198 ? 82.926 -9.748 -15.669 1.00 45.36 ? 197 PHE D C 1 ATOM 5853 O O . PHE D 4 198 ? 82.513 -10.826 -16.098 1.00 45.19 ? 197 PHE D O 1 ATOM 5854 C CB . PHE D 4 198 ? 82.300 -9.099 -13.320 1.00 44.34 ? 197 PHE D CB 1 ATOM 5855 C CG . PHE D 4 198 ? 81.155 -10.062 -13.151 1.00 42.66 ? 197 PHE D CG 1 ATOM 5856 C CD1 . PHE D 4 198 ? 80.016 -9.957 -13.946 1.00 40.44 ? 197 PHE D CD1 1 ATOM 5857 C CD2 . PHE D 4 198 ? 81.223 -11.083 -12.209 1.00 43.35 ? 197 PHE D CD2 1 ATOM 5858 C CE1 . PHE D 4 198 ? 78.960 -10.851 -13.800 1.00 39.16 ? 197 PHE D CE1 1 ATOM 5859 C CE2 . PHE D 4 198 ? 80.173 -11.983 -12.055 1.00 42.46 ? 197 PHE D CE2 1 ATOM 5860 C CZ . PHE D 4 198 ? 79.040 -11.867 -12.852 1.00 40.36 ? 197 PHE D CZ 1 ATOM 5861 N N . TRP D 4 199 ? 82.970 -8.642 -16.410 1.00 45.23 ? 198 TRP D N 1 ATOM 5862 C CA . TRP D 4 199 ? 82.572 -8.632 -17.819 1.00 44.72 ? 198 TRP D CA 1 ATOM 5863 C C . TRP D 4 199 ? 83.539 -9.415 -18.716 1.00 47.00 ? 198 TRP D C 1 ATOM 5864 O O . TRP D 4 199 ? 83.111 -10.089 -19.652 1.00 46.83 ? 198 TRP D O 1 ATOM 5865 C CB . TRP D 4 199 ? 82.415 -7.196 -18.335 1.00 44.51 ? 198 TRP D CB 1 ATOM 5866 C CG . TRP D 4 199 ? 82.311 -7.118 -19.834 1.00 45.22 ? 198 TRP D CG 1 ATOM 5867 C CD1 . TRP D 4 199 ? 83.262 -6.656 -20.700 1.00 47.70 ? 198 TRP D CD1 1 ATOM 5868 C CD2 . TRP D 4 199 ? 81.208 -7.544 -20.643 1.00 43.81 ? 198 TRP D CD2 1 ATOM 5869 N NE1 . TRP D 4 199 ? 82.814 -6.755 -21.995 1.00 47.89 ? 198 TRP D NE1 1 ATOM 5870 C CE2 . TRP D 4 199 ? 81.557 -7.298 -21.988 1.00 45.53 ? 198 TRP D CE2 1 ATOM 5871 C CE3 . TRP D 4 199 ? 79.955 -8.100 -20.360 1.00 41.63 ? 198 TRP D CE3 1 ATOM 5872 C CZ2 . TRP D 4 199 ? 80.699 -7.593 -23.051 1.00 45.21 ? 198 TRP D CZ2 1 ATOM 5873 C CZ3 . TRP D 4 199 ? 79.102 -8.395 -21.419 1.00 41.23 ? 198 TRP D CZ3 1 ATOM 5874 C CH2 . TRP D 4 199 ? 79.479 -8.140 -22.746 1.00 42.86 ? 198 TRP D CH2 1 ATOM 5875 N N . GLN D 4 200 ? 84.835 -9.322 -18.425 1.00 49.47 ? 199 GLN D N 1 ATOM 5876 C CA . GLN D 4 200 ? 85.874 -9.948 -19.252 1.00 52.20 ? 199 GLN D CA 1 ATOM 5877 C C . GLN D 4 200 ? 85.870 -11.479 -19.213 1.00 52.89 ? 199 GLN D C 1 ATOM 5878 O O . GLN D 4 200 ? 86.557 -12.126 -20.005 1.00 55.24 ? 199 GLN D O 1 ATOM 5879 C CB . GLN D 4 200 ? 87.259 -9.408 -18.877 1.00 54.95 ? 199 GLN D CB 1 ATOM 5880 C CG . GLN D 4 200 ? 87.553 -8.023 -19.443 1.00 55.47 ? 199 GLN D CG 1 ATOM 5881 C CD . GLN D 4 200 ? 88.568 -7.240 -18.623 1.00 56.96 ? 199 GLN D CD 1 ATOM 5882 O OE1 . GLN D 4 200 ? 89.060 -7.710 -17.596 1.00 57.50 ? 199 GLN D OE1 1 ATOM 5883 N NE2 . GLN D 4 200 ? 88.882 -6.033 -19.078 1.00 57.83 ? 199 GLN D NE2 1 ATOM 5884 N N . ASN D 4 201 ? 85.089 -12.043 -18.296 1.00 51.26 ? 200 ASN D N 1 ATOM 5885 C CA . ASN D 4 201 ? 84.956 -13.487 -18.143 1.00 52.16 ? 200 ASN D CA 1 ATOM 5886 C C . ASN D 4 201 ? 84.063 -14.090 -19.232 1.00 51.38 ? 200 ASN D C 1 ATOM 5887 O O . ASN D 4 201 ? 82.873 -13.781 -19.292 1.00 48.92 ? 200 ASN D O 1 ATOM 5888 C CB . ASN D 4 201 ? 84.388 -13.797 -16.755 1.00 51.02 ? 200 ASN D CB 1 ATOM 5889 C CG . ASN D 4 201 ? 84.479 -15.268 -16.388 1.00 52.89 ? 200 ASN D CG 1 ATOM 5890 O OD1 . ASN D 4 201 ? 84.855 -16.112 -17.201 1.00 54.74 ? 200 ASN D OD1 1 ATOM 5891 N ND2 . ASN D 4 201 ? 84.129 -15.580 -15.146 1.00 52.84 ? 200 ASN D ND2 1 ATOM 5892 N N . PRO D 4 202 ? 84.631 -14.956 -20.094 1.00 53.94 ? 201 PRO D N 1 ATOM 5893 C CA . PRO D 4 202 ? 83.872 -15.606 -21.174 1.00 53.95 ? 201 PRO D CA 1 ATOM 5894 C C . PRO D 4 202 ? 82.765 -16.550 -20.686 1.00 52.79 ? 201 PRO D C 1 ATOM 5895 O O . PRO D 4 202 ? 81.944 -17.006 -21.491 1.00 52.49 ? 201 PRO D O 1 ATOM 5896 C CB . PRO D 4 202 ? 84.945 -16.412 -21.923 1.00 57.72 ? 201 PRO D CB 1 ATOM 5897 C CG . PRO D 4 202 ? 86.235 -15.775 -21.557 1.00 59.44 ? 201 PRO D CG 1 ATOM 5898 C CD . PRO D 4 202 ? 86.057 -15.323 -20.143 1.00 57.46 ? 201 PRO D CD 1 ATOM 5899 N N . ARG D 4 203 ? 82.748 -16.832 -19.385 1.00 52.52 ? 202 ARG D N 1 ATOM 5900 C CA . ARG D 4 203 ? 81.808 -17.789 -18.800 1.00 52.12 ? 202 ARG D CA 1 ATOM 5901 C C . ARG D 4 203 ? 80.542 -17.144 -18.238 1.00 48.83 ? 202 ARG D C 1 ATOM 5902 O O . ARG D 4 203 ? 79.562 -17.840 -17.964 1.00 48.32 ? 202 ARG D O 1 ATOM 5903 C CB . ARG D 4 203 ? 82.496 -18.618 -17.714 1.00 54.46 ? 202 ARG D CB 1 ATOM 5904 C CG . ARG D 4 203 ? 83.466 -19.661 -18.242 1.00 58.52 ? 202 ARG D CG 1 ATOM 5905 C CD . ARG D 4 203 ? 84.310 -20.230 -17.114 1.00 61.83 ? 202 ARG D CD 1 ATOM 5906 N NE . ARG D 4 203 ? 83.505 -20.998 -16.165 1.00 62.23 ? 202 ARG D NE 1 ATOM 5907 C CZ . ARG D 4 203 ? 83.463 -22.327 -16.111 1.00 65.02 ? 202 ARG D CZ 1 ATOM 5908 N NH1 . ARG D 4 203 ? 84.190 -23.062 -16.946 1.00 68.02 ? 202 ARG D NH1 1 ATOM 5909 N NH2 . ARG D 4 203 ? 82.696 -22.925 -15.210 1.00 65.16 ? 202 ARG D NH2 1 ATOM 5910 N N . ASN D 4 204 ? 80.565 -15.824 -18.060 1.00 46.98 ? 203 ASN D N 1 ATOM 5911 C CA . ASN D 4 204 ? 79.396 -15.092 -17.575 1.00 44.25 ? 203 ASN D CA 1 ATOM 5912 C C . ASN D 4 204 ? 78.417 -14.742 -18.693 1.00 42.76 ? 203 ASN D C 1 ATOM 5913 O O . ASN D 4 204 ? 78.766 -14.031 -19.640 1.00 43.00 ? 203 ASN D O 1 ATOM 5914 C CB . ASN D 4 204 ? 79.816 -13.833 -16.812 1.00 43.41 ? 203 ASN D CB 1 ATOM 5915 C CG . ASN D 4 204 ? 80.409 -14.144 -15.449 1.00 44.79 ? 203 ASN D CG 1 ATOM 5916 O OD1 . ASN D 4 204 ? 80.097 -15.168 -14.837 1.00 45.43 ? 203 ASN D OD1 1 ATOM 5917 N ND2 . ASN D 4 204 ? 81.268 -13.254 -14.962 1.00 45.30 ? 203 ASN D ND2 1 ATOM 5918 N N . HIS D 4 205 ? 77.194 -15.254 -18.574 1.00 41.64 ? 204 HIS D N 1 ATOM 5919 C CA . HIS D 4 205 ? 76.151 -15.021 -19.566 1.00 40.43 ? 204 HIS D CA 1 ATOM 5920 C C . HIS D 4 205 ? 75.211 -13.904 -19.111 1.00 38.05 ? 204 HIS D C 1 ATOM 5921 O O . HIS D 4 205 ? 74.559 -14.009 -18.068 1.00 37.33 ? 204 HIS D O 1 ATOM 5922 C CB . HIS D 4 205 ? 75.382 -16.316 -19.820 1.00 41.32 ? 204 HIS D CB 1 ATOM 5923 C CG . HIS D 4 205 ? 74.462 -16.259 -20.998 1.00 41.14 ? 204 HIS D CG 1 ATOM 5924 N ND1 . HIS D 4 205 ? 73.159 -16.702 -20.943 1.00 40.93 ? 204 HIS D ND1 1 ATOM 5925 C CD2 . HIS D 4 205 ? 74.653 -15.815 -22.262 1.00 42.36 ? 204 HIS D CD2 1 ATOM 5926 C CE1 . HIS D 4 205 ? 72.588 -16.537 -22.122 1.00 41.17 ? 204 HIS D CE1 1 ATOM 5927 N NE2 . HIS D 4 205 ? 73.474 -16.001 -22.942 1.00 42.05 ? 204 HIS D NE2 1 ATOM 5928 N N . PHE D 4 206 ? 75.159 -12.832 -19.898 1.00 37.25 ? 205 PHE D N 1 ATOM 5929 C CA . PHE D 4 206 ? 74.363 -11.650 -19.569 1.00 35.30 ? 205 PHE D CA 1 ATOM 5930 C C . PHE D 4 206 ? 73.114 -11.594 -20.434 1.00 34.60 ? 205 PHE D C 1 ATOM 5931 O O . PHE D 4 206 ? 73.195 -11.705 -21.660 1.00 35.43 ? 205 PHE D O 1 ATOM 5932 C CB . PHE D 4 206 ? 75.181 -10.375 -19.788 1.00 35.42 ? 205 PHE D CB 1 ATOM 5933 C CG . PHE D 4 206 ? 76.438 -10.307 -18.972 1.00 36.17 ? 205 PHE D CG 1 ATOM 5934 C CD1 . PHE D 4 206 ? 77.609 -10.914 -19.421 1.00 37.43 ? 205 PHE D CD1 1 ATOM 5935 C CD2 . PHE D 4 206 ? 76.455 -9.624 -17.756 1.00 35.42 ? 205 PHE D CD2 1 ATOM 5936 C CE1 . PHE D 4 206 ? 78.773 -10.854 -18.671 1.00 38.73 ? 205 PHE D CE1 1 ATOM 5937 C CE2 . PHE D 4 206 ? 77.614 -9.556 -16.996 1.00 36.55 ? 205 PHE D CE2 1 ATOM 5938 C CZ . PHE D 4 206 ? 78.779 -10.173 -17.457 1.00 38.73 ? 205 PHE D CZ 1 ATOM 5939 N N . ARG D 4 207 ? 71.962 -11.416 -19.796 1.00 33.39 ? 206 ARG D N 1 ATOM 5940 C CA . ARG D 4 207 ? 70.707 -11.305 -20.526 1.00 33.04 ? 206 ARG D CA 1 ATOM 5941 C C . ARG D 4 207 ? 69.814 -10.187 -19.985 1.00 31.90 ? 206 ARG D C 1 ATOM 5942 O O . ARG D 4 207 ? 69.722 -9.978 -18.775 1.00 31.41 ? 206 ARG D O 1 ATOM 5943 C CB . ARG D 4 207 ? 69.960 -12.640 -20.524 1.00 33.49 ? 206 ARG D CB 1 ATOM 5944 C CG . ARG D 4 207 ? 68.848 -12.724 -21.563 1.00 33.86 ? 206 ARG D CG 1 ATOM 5945 C CD . ARG D 4 207 ? 68.045 -14.001 -21.428 1.00 34.90 ? 206 ARG D CD 1 ATOM 5946 N NE . ARG D 4 207 ? 68.749 -15.158 -21.977 1.00 37.34 ? 206 ARG D NE 1 ATOM 5947 C CZ . ARG D 4 207 ? 68.677 -15.547 -23.247 1.00 39.03 ? 206 ARG D CZ 1 ATOM 5948 N NH1 . ARG D 4 207 ? 69.350 -16.615 -23.652 1.00 40.65 ? 206 ARG D NH1 1 ATOM 5949 N NH2 . ARG D 4 207 ? 67.934 -14.869 -24.114 1.00 39.16 ? 206 ARG D NH2 1 ATOM 5950 N N . CYS D 4 208 ? 69.161 -9.480 -20.903 1.00 31.82 ? 207 CYS D N 1 ATOM 5951 C CA . CYS D 4 208 ? 68.219 -8.432 -20.553 1.00 31.25 ? 207 CYS D CA 1 ATOM 5952 C C . CYS D 4 208 ? 66.812 -8.871 -20.934 1.00 30.63 ? 207 CYS D C 1 ATOM 5953 O O . CYS D 4 208 ? 66.527 -9.068 -22.110 1.00 31.30 ? 207 CYS D O 1 ATOM 5954 C CB . CYS D 4 208 ? 68.567 -7.141 -21.286 1.00 31.86 ? 207 CYS D CB 1 ATOM 5955 S SG . CYS D 4 208 ? 67.349 -5.860 -20.964 1.00 34.45 ? 207 CYS D SG 1 ATOM 5956 N N . GLN D 4 209 ? 65.937 -8.999 -19.940 1.00 29.74 ? 208 GLN D N 1 ATOM 5957 C CA . GLN D 4 209 ? 64.594 -9.549 -20.149 1.00 29.53 ? 208 GLN D CA 1 ATOM 5958 C C . GLN D 4 209 ? 63.490 -8.505 -20.038 1.00 29.06 ? 208 GLN D C 1 ATOM 5959 O O . GLN D 4 209 ? 63.370 -7.825 -19.014 1.00 28.75 ? 208 GLN D O 1 ATOM 5960 C CB . GLN D 4 209 ? 64.312 -10.682 -19.153 1.00 29.69 ? 208 GLN D CB 1 ATOM 5961 C CG . GLN D 4 209 ? 62.982 -11.380 -19.393 1.00 30.29 ? 208 GLN D CG 1 ATOM 5962 C CD . GLN D 4 209 ? 62.611 -12.379 -18.313 1.00 31.14 ? 208 GLN D CD 1 ATOM 5963 O OE1 . GLN D 4 209 ? 62.711 -13.591 -18.515 1.00 32.13 ? 208 GLN D OE1 1 ATOM 5964 N NE2 . GLN D 4 209 ? 62.168 -11.876 -17.164 1.00 30.44 ? 208 GLN D NE2 1 ATOM 5965 N N . VAL D 4 210 ? 62.677 -8.398 -21.087 1.00 29.21 ? 209 VAL D N 1 ATOM 5966 C CA . VAL D 4 210 ? 61.486 -7.554 -21.048 1.00 29.25 ? 209 VAL D CA 1 ATOM 5967 C C . VAL D 4 210 ? 60.228 -8.414 -21.041 1.00 29.62 ? 209 VAL D C 1 ATOM 5968 O O . VAL D 4 210 ? 59.984 -9.183 -21.970 1.00 30.26 ? 209 VAL D O 1 ATOM 5969 C CB . VAL D 4 210 ? 61.436 -6.546 -22.226 1.00 30.03 ? 209 VAL D CB 1 ATOM 5970 C CG1 . VAL D 4 210 ? 60.117 -5.776 -22.223 1.00 30.63 ? 209 VAL D CG1 1 ATOM 5971 C CG2 . VAL D 4 210 ? 62.606 -5.578 -22.157 1.00 30.01 ? 209 VAL D CG2 1 ATOM 5972 N N . GLN D 4 211 ? 59.445 -8.295 -19.974 1.00 29.63 ? 210 GLN D N 1 ATOM 5973 C CA . GLN D 4 211 ? 58.137 -8.935 -19.907 1.00 30.40 ? 210 GLN D CA 1 ATOM 5974 C C . GLN D 4 211 ? 57.111 -7.959 -20.449 1.00 31.08 ? 210 GLN D C 1 ATOM 5975 O O . GLN D 4 211 ? 56.965 -6.849 -19.934 1.00 30.88 ? 210 GLN D O 1 ATOM 5976 C CB . GLN D 4 211 ? 57.789 -9.334 -18.474 1.00 30.58 ? 210 GLN D CB 1 ATOM 5977 C CG . GLN D 4 211 ? 56.380 -9.883 -18.301 1.00 32.04 ? 210 GLN D CG 1 ATOM 5978 C CD . GLN D 4 211 ? 56.270 -11.358 -18.630 1.00 33.33 ? 210 GLN D CD 1 ATOM 5979 O OE1 . GLN D 4 211 ? 55.582 -11.745 -19.578 1.00 34.52 ? 210 GLN D OE1 1 ATOM 5980 N NE2 . GLN D 4 211 ? 56.945 -12.194 -17.844 1.00 33.22 ? 210 GLN D NE2 1 ATOM 5981 N N . PHE D 4 212 ? 56.420 -8.374 -21.504 1.00 32.13 ? 211 PHE D N 1 ATOM 5982 C CA . PHE D 4 212 ? 55.420 -7.539 -22.151 1.00 33.31 ? 211 PHE D CA 1 ATOM 5983 C C . PHE D 4 212 ? 54.021 -8.055 -21.853 1.00 34.59 ? 211 PHE D C 1 ATOM 5984 O O . PHE D 4 212 ? 53.770 -9.257 -21.904 1.00 34.96 ? 211 PHE D O 1 ATOM 5985 C CB . PHE D 4 212 ? 55.663 -7.478 -23.660 1.00 33.99 ? 211 PHE D CB 1 ATOM 5986 C CG . PHE D 4 212 ? 54.554 -6.808 -24.430 1.00 36.11 ? 211 PHE D CG 1 ATOM 5987 C CD1 . PHE D 4 212 ? 54.460 -5.419 -24.477 1.00 36.74 ? 211 PHE D CD1 1 ATOM 5988 C CD2 . PHE D 4 212 ? 53.602 -7.568 -25.107 1.00 37.69 ? 211 PHE D CD2 1 ATOM 5989 C CE1 . PHE D 4 212 ? 53.436 -4.796 -25.183 1.00 38.68 ? 211 PHE D CE1 1 ATOM 5990 C CE2 . PHE D 4 212 ? 52.576 -6.957 -25.816 1.00 39.77 ? 211 PHE D CE2 1 ATOM 5991 C CZ . PHE D 4 212 ? 52.493 -5.565 -25.855 1.00 40.41 ? 211 PHE D CZ 1 ATOM 5992 N N . TYR D 4 213 ? 53.119 -7.132 -21.542 1.00 35.62 ? 212 TYR D N 1 ATOM 5993 C CA . TYR D 4 213 ? 51.728 -7.471 -21.291 1.00 37.53 ? 212 TYR D CA 1 ATOM 5994 C C . TYR D 4 213 ? 50.842 -6.956 -22.417 1.00 39.19 ? 212 TYR D C 1 ATOM 5995 O O . TYR D 4 213 ? 50.765 -5.749 -22.658 1.00 39.69 ? 212 TYR D O 1 ATOM 5996 C CB . TYR D 4 213 ? 51.283 -6.931 -19.927 1.00 37.97 ? 212 TYR D CB 1 ATOM 5997 C CG . TYR D 4 213 ? 52.006 -7.594 -18.775 1.00 37.47 ? 212 TYR D CG 1 ATOM 5998 C CD1 . TYR D 4 213 ? 53.137 -7.007 -18.205 1.00 36.70 ? 212 TYR D CD1 1 ATOM 5999 C CD2 . TYR D 4 213 ? 51.574 -8.823 -18.272 1.00 38.66 ? 212 TYR D CD2 1 ATOM 6000 C CE1 . TYR D 4 213 ? 53.812 -7.619 -17.152 1.00 36.71 ? 212 TYR D CE1 1 ATOM 6001 C CE2 . TYR D 4 213 ? 52.240 -9.444 -17.221 1.00 38.88 ? 212 TYR D CE2 1 ATOM 6002 C CZ . TYR D 4 213 ? 53.358 -8.839 -16.666 1.00 37.86 ? 212 TYR D CZ 1 ATOM 6003 O OH . TYR D 4 213 ? 54.020 -9.456 -15.627 1.00 38.40 ? 212 TYR D OH 1 ATOM 6004 N N . GLY D 4 214 ? 50.199 -7.887 -23.116 1.00 40.47 ? 213 GLY D N 1 ATOM 6005 C CA . GLY D 4 214 ? 49.315 -7.562 -24.228 1.00 42.59 ? 213 GLY D CA 1 ATOM 6006 C C . GLY D 4 214 ? 48.089 -8.451 -24.265 1.00 44.76 ? 213 GLY D C 1 ATOM 6007 O O . GLY D 4 214 ? 47.536 -8.807 -23.225 1.00 45.14 ? 213 GLY D O 1 ATOM 6008 N N . LEU D 4 215 ? 47.670 -8.811 -25.474 1.00 46.66 ? 214 LEU D N 1 ATOM 6009 C CA . LEU D 4 215 ? 46.505 -9.665 -25.684 1.00 49.28 ? 214 LEU D CA 1 ATOM 6010 C C . LEU D 4 215 ? 46.667 -11.048 -25.055 1.00 49.21 ? 214 LEU D C 1 ATOM 6011 O O . LEU D 4 215 ? 47.773 -11.451 -24.689 1.00 47.37 ? 214 LEU D O 1 ATOM 6012 C CB . LEU D 4 215 ? 46.221 -9.806 -27.181 1.00 51.39 ? 214 LEU D CB 1 ATOM 6013 C CG . LEU D 4 215 ? 45.372 -8.733 -27.869 1.00 53.68 ? 214 LEU D CG 1 ATOM 6014 C CD1 . LEU D 4 215 ? 46.151 -7.445 -28.094 1.00 52.77 ? 214 LEU D CD1 1 ATOM 6015 C CD2 . LEU D 4 215 ? 44.851 -9.267 -29.185 1.00 56.54 ? 214 LEU D CD2 1 ATOM 6016 N N . SER D 4 216 ? 45.552 -11.761 -24.923 1.00 51.74 ? 215 SER D N 1 ATOM 6017 C CA . SER D 4 216 ? 45.561 -13.132 -24.430 1.00 52.59 ? 215 SER D CA 1 ATOM 6018 C C . SER D 4 216 ? 45.038 -14.065 -25.514 1.00 55.45 ? 215 SER D C 1 ATOM 6019 O O . SER D 4 216 ? 44.700 -13.619 -26.611 1.00 56.73 ? 215 SER D O 1 ATOM 6020 C CB . SER D 4 216 ? 44.707 -13.253 -23.165 1.00 53.67 ? 215 SER D CB 1 ATOM 6021 O OG . SER D 4 216 ? 43.324 -13.265 -23.480 1.00 56.78 ? 215 SER D OG 1 ATOM 6022 N N . GLU D 4 217 ? 44.973 -15.357 -25.199 1.00 57.01 ? 216 GLU D N 1 ATOM 6023 C CA . GLU D 4 217 ? 44.417 -16.359 -26.106 1.00 60.32 ? 216 GLU D CA 1 ATOM 6024 C C . GLU D 4 217 ? 42.899 -16.203 -26.257 1.00 63.62 ? 216 GLU D C 1 ATOM 6025 O O . GLU D 4 217 ? 42.313 -16.679 -27.233 1.00 66.42 ? 216 GLU D O 1 ATOM 6026 C CB . GLU D 4 217 ? 44.765 -17.768 -25.620 1.00 61.32 ? 216 GLU D CB 1 ATOM 6027 N N . ASN D 4 218 ? 42.276 -15.536 -25.285 1.00 63.59 ? 217 ASN D N 1 ATOM 6028 C CA . ASN D 4 218 ? 40.843 -15.230 -25.326 1.00 66.75 ? 217 ASN D CA 1 ATOM 6029 C C . ASN D 4 218 ? 40.494 -14.182 -26.384 1.00 67.21 ? 217 ASN D C 1 ATOM 6030 O O . ASN D 4 218 ? 39.476 -14.300 -27.069 1.00 70.55 ? 217 ASN D O 1 ATOM 6031 C CB . ASN D 4 218 ? 40.347 -14.755 -23.950 1.00 66.73 ? 217 ASN D CB 1 ATOM 6032 C CG . ASN D 4 218 ? 40.545 -15.797 -22.852 1.00 67.48 ? 217 ASN D CG 1 ATOM 6033 O OD1 . ASN D 4 218 ? 41.002 -15.473 -21.753 1.00 65.80 ? 217 ASN D OD1 1 ATOM 6034 N ND2 . ASN D 4 218 ? 40.192 -17.048 -23.142 1.00 70.58 ? 217 ASN D ND2 1 ATOM 6035 N N . ASP D 4 219 ? 41.348 -13.165 -26.507 1.00 64.27 ? 218 ASP D N 1 ATOM 6036 C CA . ASP D 4 219 ? 41.124 -12.028 -27.407 1.00 64.77 ? 218 ASP D CA 1 ATOM 6037 C C . ASP D 4 219 ? 41.181 -12.417 -28.884 1.00 66.51 ? 218 ASP D C 1 ATOM 6038 O O . ASP D 4 219 ? 41.919 -13.326 -29.266 1.00 66.04 ? 218 ASP D O 1 ATOM 6039 C CB . ASP D 4 219 ? 42.145 -10.914 -27.127 1.00 61.52 ? 218 ASP D CB 1 ATOM 6040 C CG . ASP D 4 219 ? 42.029 -10.339 -25.717 1.00 60.39 ? 218 ASP D CG 1 ATOM 6041 O OD1 . ASP D 4 219 ? 40.904 -10.264 -25.175 1.00 62.84 ? 218 ASP D OD1 1 ATOM 6042 O OD2 . ASP D 4 219 ? 43.073 -9.948 -25.153 1.00 57.44 ? 218 ASP D OD2 1 ATOM 6043 N N . GLU D 4 220 ? 40.393 -11.721 -29.701 1.00 68.93 ? 219 GLU D N 1 ATOM 6044 C CA . GLU D 4 220 ? 40.390 -11.917 -31.153 1.00 71.18 ? 219 GLU D CA 1 ATOM 6045 C C . GLU D 4 220 ? 41.408 -10.998 -31.837 1.00 69.46 ? 219 GLU D C 1 ATOM 6046 O O . GLU D 4 220 ? 41.839 -9.995 -31.257 1.00 67.15 ? 219 GLU D O 1 ATOM 6047 C CB . GLU D 4 220 ? 38.989 -11.680 -31.723 1.00 75.31 ? 219 GLU D CB 1 ATOM 6048 N N . TRP D 4 221 ? 41.787 -11.352 -33.065 1.00 70.97 ? 220 TRP D N 1 ATOM 6049 C CA . TRP D 4 221 ? 42.781 -10.606 -33.843 1.00 70.01 ? 220 TRP D CA 1 ATOM 6050 C C . TRP D 4 221 ? 42.548 -10.840 -35.329 1.00 73.75 ? 220 TRP D C 1 ATOM 6051 O O . TRP D 4 221 ? 42.356 -11.980 -35.761 1.00 75.78 ? 220 TRP D O 1 ATOM 6052 C CB . TRP D 4 221 ? 44.200 -11.040 -33.453 1.00 66.59 ? 220 TRP D CB 1 ATOM 6053 C CG . TRP D 4 221 ? 45.297 -10.150 -33.983 1.00 65.33 ? 220 TRP D CG 1 ATOM 6054 C CD1 . TRP D 4 221 ? 46.175 -10.442 -34.988 1.00 66.13 ? 220 TRP D CD1 1 ATOM 6055 C CD2 . TRP D 4 221 ? 45.634 -8.831 -33.527 1.00 63.50 ? 220 TRP D CD2 1 ATOM 6056 N NE1 . TRP D 4 221 ? 47.035 -9.388 -35.189 1.00 64.93 ? 220 TRP D NE1 1 ATOM 6057 C CE2 . TRP D 4 221 ? 46.726 -8.386 -34.307 1.00 63.38 ? 220 TRP D CE2 1 ATOM 6058 C CE3 . TRP D 4 221 ? 45.116 -7.981 -32.539 1.00 62.08 ? 220 TRP D CE3 1 ATOM 6059 C CZ2 . TRP D 4 221 ? 47.312 -7.126 -34.129 1.00 62.05 ? 220 TRP D CZ2 1 ATOM 6060 C CZ3 . TRP D 4 221 ? 45.699 -6.729 -32.362 1.00 60.71 ? 220 TRP D CZ3 1 ATOM 6061 C CH2 . TRP D 4 221 ? 46.786 -6.315 -33.155 1.00 60.75 ? 220 TRP D CH2 1 ATOM 6062 N N . THR D 4 222 ? 42.561 -9.762 -36.109 1.00 75.17 ? 221 THR D N 1 ATOM 6063 C CA . THR D 4 222 ? 42.273 -9.846 -37.546 1.00 79.33 ? 221 THR D CA 1 ATOM 6064 C C . THR D 4 222 ? 43.409 -9.312 -38.421 1.00 79.31 ? 221 THR D C 1 ATOM 6065 O O . THR D 4 222 ? 43.533 -9.692 -39.589 1.00 82.42 ? 221 THR D O 1 ATOM 6066 C CB . THR D 4 222 ? 40.962 -9.101 -37.920 1.00 82.96 ? 221 THR D CB 1 ATOM 6067 O OG1 . THR D 4 222 ? 41.060 -7.725 -37.533 1.00 81.68 ? 221 THR D OG1 1 ATOM 6068 C CG2 . THR D 4 222 ? 39.751 -9.739 -37.242 1.00 83.93 ? 221 THR D CG2 1 ATOM 6069 N N . GLN D 4 223 ? 44.229 -8.435 -37.845 1.00 76.15 ? 222 GLN D N 1 ATOM 6070 C CA . GLN D 4 223 ? 45.289 -7.735 -38.575 1.00 76.30 ? 222 GLN D CA 1 ATOM 6071 C C . GLN D 4 223 ? 46.383 -8.662 -39.115 1.00 75.90 ? 222 GLN D C 1 ATOM 6072 O O . GLN D 4 223 ? 46.576 -9.773 -38.613 1.00 74.28 ? 222 GLN D O 1 ATOM 6073 C CB . GLN D 4 223 ? 45.889 -6.628 -37.701 1.00 73.18 ? 222 GLN D CB 1 ATOM 6074 C CG . GLN D 4 223 ? 44.951 -5.441 -37.504 1.00 74.95 ? 222 GLN D CG 1 ATOM 6075 C CD . GLN D 4 223 ? 45.354 -4.551 -36.346 1.00 72.04 ? 222 GLN D CD 1 ATOM 6076 O OE1 . GLN D 4 223 ? 44.638 -4.457 -35.348 1.00 71.10 ? 222 GLN D OE1 1 ATOM 6077 N NE2 . GLN D 4 223 ? 46.505 -3.893 -36.471 1.00 70.89 ? 222 GLN D NE2 1 ATOM 6078 N N . ASP D 4 224 ? 47.092 -8.183 -40.137 1.00 77.81 ? 223 ASP D N 1 ATOM 6079 C CA . ASP D 4 224 ? 48.045 -8.998 -40.898 1.00 78.72 ? 223 ASP D CA 1 ATOM 6080 C C . ASP D 4 224 ? 49.270 -9.459 -40.099 1.00 74.47 ? 223 ASP D C 1 ATOM 6081 O O . ASP D 4 224 ? 49.699 -10.607 -40.230 1.00 74.62 ? 223 ASP D O 1 ATOM 6082 C CB . ASP D 4 224 ? 48.474 -8.271 -42.181 1.00 82.30 ? 223 ASP D CB 1 ATOM 6083 N N . ARG D 4 225 ? 49.828 -8.574 -39.277 1.00 71.07 ? 224 ARG D N 1 ATOM 6084 C CA . ARG D 4 225 ? 50.998 -8.925 -38.461 1.00 67.26 ? 224 ARG D CA 1 ATOM 6085 C C . ARG D 4 225 ? 50.651 -9.839 -37.278 1.00 64.43 ? 224 ARG D C 1 ATOM 6086 O O . ARG D 4 225 ? 49.478 -10.008 -36.937 1.00 65.12 ? 224 ARG D O 1 ATOM 6087 C CB . ARG D 4 225 ? 51.776 -7.674 -38.012 1.00 65.17 ? 224 ARG D CB 1 ATOM 6088 C CG . ARG D 4 225 ? 50.931 -6.499 -37.534 1.00 65.22 ? 224 ARG D CG 1 ATOM 6089 C CD . ARG D 4 225 ? 50.798 -6.485 -36.023 1.00 61.86 ? 224 ARG D CD 1 ATOM 6090 N NE . ARG D 4 225 ? 50.303 -5.199 -35.532 1.00 61.92 ? 224 ARG D NE 1 ATOM 6091 C CZ . ARG D 4 225 ? 50.140 -4.898 -34.247 1.00 59.25 ? 224 ARG D CZ 1 ATOM 6092 N NH1 . ARG D 4 225 ? 50.433 -5.792 -33.311 1.00 56.76 ? 224 ARG D NH1 1 ATOM 6093 N NH2 . ARG D 4 225 ? 49.685 -3.703 -33.896 1.00 59.62 ? 224 ARG D NH2 1 ATOM 6094 N N . ALA D 4 226 ? 51.680 -10.429 -36.672 1.00 61.62 ? 225 ALA D N 1 ATOM 6095 C CA . ALA D 4 226 ? 51.509 -11.441 -35.627 1.00 59.40 ? 225 ALA D CA 1 ATOM 6096 C C . ALA D 4 226 ? 50.805 -10.916 -34.375 1.00 57.06 ? 225 ALA D C 1 ATOM 6097 O O . ALA D 4 226 ? 51.048 -9.785 -33.939 1.00 55.47 ? 225 ALA D O 1 ATOM 6098 C CB . ALA D 4 226 ? 52.852 -12.058 -35.266 1.00 57.34 ? 225 ALA D CB 1 ATOM 6099 N N . LYS D 4 227 ? 49.935 -11.756 -33.813 1.00 57.20 ? 226 LYS D N 1 ATOM 6100 C CA . LYS D 4 227 ? 49.159 -11.437 -32.612 1.00 55.49 ? 226 LYS D CA 1 ATOM 6101 C C . LYS D 4 227 ? 50.057 -11.047 -31.430 1.00 51.64 ? 226 LYS D C 1 ATOM 6102 O O . LYS D 4 227 ? 50.868 -11.858 -30.978 1.00 50.27 ? 226 LYS D O 1 ATOM 6103 C CB . LYS D 4 227 ? 48.267 -12.627 -32.240 1.00 56.88 ? 226 LYS D CB 1 ATOM 6104 C CG . LYS D 4 227 ? 47.176 -12.322 -31.229 1.00 56.50 ? 226 LYS D CG 1 ATOM 6105 C CD . LYS D 4 227 ? 46.344 -13.559 -30.952 1.00 58.30 ? 226 LYS D CD 1 ATOM 6106 C CE . LYS D 4 227 ? 45.299 -13.288 -29.889 1.00 58.56 ? 226 LYS D CE 1 ATOM 6107 N NZ . LYS D 4 227 ? 44.451 -14.485 -29.629 1.00 61.06 ? 226 LYS D NZ 1 ATOM 6108 N N . PRO D 4 228 ? 49.907 -9.802 -30.928 1.00 50.33 ? 227 PRO D N 1 ATOM 6109 C CA . PRO D 4 228 ? 50.768 -9.217 -29.890 1.00 47.13 ? 227 PRO D CA 1 ATOM 6110 C C . PRO D 4 228 ? 50.406 -9.678 -28.477 1.00 45.42 ? 227 PRO D C 1 ATOM 6111 O O . PRO D 4 228 ? 50.013 -8.869 -27.631 1.00 44.62 ? 227 PRO D O 1 ATOM 6112 C CB . PRO D 4 228 ? 50.516 -7.718 -30.048 1.00 47.58 ? 227 PRO D CB 1 ATOM 6113 C CG . PRO D 4 228 ? 49.110 -7.632 -30.518 1.00 50.39 ? 227 PRO D CG 1 ATOM 6114 C CD . PRO D 4 228 ? 48.836 -8.871 -31.333 1.00 52.39 ? 227 PRO D CD 1 ATOM 6115 N N . VAL D 4 229 ? 50.555 -10.976 -28.235 1.00 45.21 ? 228 VAL D N 1 ATOM 6116 C CA . VAL D 4 229 ? 50.191 -11.589 -26.961 1.00 44.40 ? 228 VAL D CA 1 ATOM 6117 C C . VAL D 4 229 ? 51.177 -11.251 -25.839 1.00 41.62 ? 228 VAL D C 1 ATOM 6118 O O . VAL D 4 229 ? 52.301 -10.812 -26.096 1.00 40.18 ? 228 VAL D O 1 ATOM 6119 C CB . VAL D 4 229 ? 50.059 -13.136 -27.088 1.00 45.89 ? 228 VAL D CB 1 ATOM 6120 C CG1 . VAL D 4 229 ? 48.896 -13.508 -28.001 1.00 48.97 ? 228 VAL D CG1 1 ATOM 6121 C CG2 . VAL D 4 229 ? 51.362 -13.766 -27.586 1.00 45.15 ? 228 VAL D CG2 1 ATOM 6122 N N . THR D 4 230 ? 50.739 -11.445 -24.598 1.00 41.14 ? 229 THR D N 1 ATOM 6123 C CA . THR D 4 230 ? 51.618 -11.344 -23.440 1.00 39.09 ? 229 THR D CA 1 ATOM 6124 C C . THR D 4 230 ? 52.798 -12.282 -23.664 1.00 38.32 ? 229 THR D C 1 ATOM 6125 O O . THR D 4 230 ? 52.613 -13.484 -23.863 1.00 39.88 ? 229 THR D O 1 ATOM 6126 C CB . THR D 4 230 ? 50.865 -11.712 -22.145 1.00 39.62 ? 229 THR D CB 1 ATOM 6127 O OG1 . THR D 4 230 ? 49.801 -10.778 -21.941 1.00 40.97 ? 229 THR D OG1 1 ATOM 6128 C CG2 . THR D 4 230 ? 51.787 -11.690 -20.932 1.00 38.06 ? 229 THR D CG2 1 ATOM 6129 N N . GLN D 4 231 ? 54.003 -11.723 -23.660 1.00 36.44 ? 230 GLN D N 1 ATOM 6130 C CA . GLN D 4 231 ? 55.203 -12.484 -23.993 1.00 35.89 ? 230 GLN D CA 1 ATOM 6131 C C . GLN D 4 231 ? 56.459 -11.870 -23.392 1.00 34.02 ? 230 GLN D C 1 ATOM 6132 O O . GLN D 4 231 ? 56.442 -10.734 -22.918 1.00 33.22 ? 230 GLN D O 1 ATOM 6133 C CB . GLN D 4 231 ? 55.356 -12.598 -25.516 1.00 37.03 ? 230 GLN D CB 1 ATOM 6134 C CG . GLN D 4 231 ? 55.717 -11.294 -26.222 1.00 36.42 ? 230 GLN D CG 1 ATOM 6135 C CD . GLN D 4 231 ? 55.426 -11.334 -27.708 1.00 38.15 ? 230 GLN D CD 1 ATOM 6136 O OE1 . GLN D 4 231 ? 56.331 -11.476 -28.529 1.00 38.36 ? 230 GLN D OE1 1 ATOM 6137 N NE2 . GLN D 4 231 ? 54.154 -11.216 -28.061 1.00 40.07 ? 230 GLN D NE2 1 ATOM 6138 N N . ILE D 4 232 ? 57.543 -12.638 -23.419 1.00 33.72 ? 231 ILE D N 1 ATOM 6139 C CA . ILE D 4 232 ? 58.855 -12.156 -23.015 1.00 32.19 ? 231 ILE D CA 1 ATOM 6140 C C . ILE D 4 232 ? 59.723 -11.966 -24.258 1.00 32.61 ? 231 ILE D C 1 ATOM 6141 O O . ILE D 4 232 ? 59.752 -12.824 -25.139 1.00 34.00 ? 231 ILE D O 1 ATOM 6142 C CB . ILE D 4 232 ? 59.532 -13.131 -22.020 1.00 31.96 ? 231 ILE D CB 1 ATOM 6143 C CG1 . ILE D 4 232 ? 58.812 -13.100 -20.669 1.00 31.49 ? 231 ILE D CG1 1 ATOM 6144 C CG2 . ILE D 4 232 ? 61.009 -12.797 -21.842 1.00 30.74 ? 231 ILE D CG2 1 ATOM 6145 C CD1 . ILE D 4 232 ? 59.121 -14.292 -19.777 1.00 32.26 ? 231 ILE D CD1 1 ATOM 6146 N N . VAL D 4 233 ? 60.405 -10.826 -24.332 1.00 31.79 ? 232 VAL D N 1 ATOM 6147 C CA . VAL D 4 233 ? 61.380 -10.575 -25.388 1.00 32.52 ? 232 VAL D CA 1 ATOM 6148 C C . VAL D 4 233 ? 62.704 -10.184 -24.741 1.00 31.47 ? 232 VAL D C 1 ATOM 6149 O O . VAL D 4 233 ? 62.745 -9.289 -23.899 1.00 30.47 ? 232 VAL D O 1 ATOM 6150 C CB . VAL D 4 233 ? 60.911 -9.474 -26.371 1.00 33.50 ? 232 VAL D CB 1 ATOM 6151 C CG1 . VAL D 4 233 ? 61.870 -9.362 -27.549 1.00 34.57 ? 232 VAL D CG1 1 ATOM 6152 C CG2 . VAL D 4 233 ? 59.496 -9.759 -26.875 1.00 34.80 ? 232 VAL D CG2 1 ATOM 6153 N N . SER D 4 234 ? 63.780 -10.866 -25.128 1.00 32.14 ? 233 SER D N 1 ATOM 6154 C CA . SER D 4 234 ? 65.082 -10.659 -24.499 1.00 31.42 ? 233 SER D CA 1 ATOM 6155 C C . SER D 4 234 ? 66.246 -10.584 -25.484 1.00 32.66 ? 233 SER D C 1 ATOM 6156 O O . SER D 4 234 ? 66.140 -11.015 -26.636 1.00 34.24 ? 233 SER D O 1 ATOM 6157 C CB . SER D 4 234 ? 65.347 -11.747 -23.446 1.00 31.14 ? 233 SER D CB 1 ATOM 6158 O OG . SER D 4 234 ? 65.794 -12.957 -24.035 1.00 32.67 ? 233 SER D OG 1 ATOM 6159 N N . ALA D 4 235 ? 67.350 -10.016 -25.006 1.00 32.30 ? 234 ALA D N 1 ATOM 6160 C CA . ALA D 4 235 ? 68.616 -9.980 -25.729 1.00 33.71 ? 234 ALA D CA 1 ATOM 6161 C C . ALA D 4 235 ? 69.727 -10.441 -24.793 1.00 33.58 ? 234 ALA D C 1 ATOM 6162 O O . ALA D 4 235 ? 69.675 -10.194 -23.584 1.00 32.28 ? 234 ALA D O 1 ATOM 6163 C CB . ALA D 4 235 ? 68.896 -8.582 -26.234 1.00 34.03 ? 234 ALA D CB 1 ATOM 6164 N N . GLU D 4 236 ? 70.728 -11.112 -25.351 1.00 35.49 ? 235 GLU D N 1 ATOM 6165 C CA . GLU D 4 236 ? 71.808 -11.677 -24.542 1.00 35.95 ? 235 GLU D CA 1 ATOM 6166 C C . GLU D 4 236 ? 73.196 -11.477 -25.140 1.00 37.65 ? 235 GLU D C 1 ATOM 6167 O O . GLU D 4 236 ? 73.343 -11.276 -26.347 1.00 39.27 ? 235 GLU D O 1 ATOM 6168 C CB . GLU D 4 236 ? 71.556 -13.166 -24.247 1.00 36.71 ? 235 GLU D CB 1 ATOM 6169 C CG . GLU D 4 236 ? 71.099 -14.009 -25.444 1.00 39.08 ? 235 GLU D CG 1 ATOM 6170 C CD . GLU D 4 236 ? 72.237 -14.418 -26.359 1.00 42.78 ? 235 GLU D CD 1 ATOM 6171 O OE1 . GLU D 4 236 ? 72.012 -14.490 -27.586 1.00 45.24 ? 235 GLU D OE1 1 ATOM 6172 O OE2 . GLU D 4 236 ? 73.354 -14.668 -25.859 1.00 43.97 ? 235 GLU D OE2 1 ATOM 6173 N N . ALA D 4 237 ? 74.202 -11.520 -24.270 1.00 37.68 ? 236 ALA D N 1 ATOM 6174 C CA . ALA D 4 237 ? 75.605 -11.484 -24.670 1.00 39.53 ? 236 ALA D CA 1 ATOM 6175 C C . ALA D 4 237 ? 76.462 -12.202 -23.635 1.00 39.86 ? 236 ALA D C 1 ATOM 6176 O O . ALA D 4 237 ? 76.204 -12.115 -22.436 1.00 38.37 ? 236 ALA D O 1 ATOM 6177 C CB . ALA D 4 237 ? 76.075 -10.051 -24.841 1.00 39.66 ? 236 ALA D CB 1 ATOM 6178 N N . TRP D 4 238 ? 77.470 -12.924 -24.108 1.00 42.32 ? 237 TRP D N 1 ATOM 6179 C CA . TRP D 4 238 ? 78.464 -13.535 -23.231 1.00 43.42 ? 237 TRP D CA 1 ATOM 6180 C C . TRP D 4 238 ? 79.609 -12.555 -23.010 1.00 44.29 ? 237 TRP D C 1 ATOM 6181 O O . TRP D 4 238 ? 79.914 -11.743 -23.886 1.00 45.23 ? 237 TRP D O 1 ATOM 6182 C CB . TRP D 4 238 ? 79.011 -14.822 -23.852 1.00 46.06 ? 237 TRP D CB 1 ATOM 6183 C CG . TRP D 4 238 ? 78.043 -15.964 -23.859 1.00 45.73 ? 237 TRP D CG 1 ATOM 6184 C CD1 . TRP D 4 238 ? 77.106 -16.239 -24.812 1.00 45.67 ? 237 TRP D CD1 1 ATOM 6185 C CD2 . TRP D 4 238 ? 77.924 -16.995 -22.869 1.00 45.86 ? 237 TRP D CD2 1 ATOM 6186 N NE1 . TRP D 4 238 ? 76.408 -17.374 -24.478 1.00 45.92 ? 237 TRP D NE1 1 ATOM 6187 C CE2 . TRP D 4 238 ? 76.890 -17.859 -23.290 1.00 46.01 ? 237 TRP D CE2 1 ATOM 6188 C CE3 . TRP D 4 238 ? 78.590 -17.272 -21.667 1.00 46.01 ? 237 TRP D CE3 1 ATOM 6189 C CZ2 . TRP D 4 238 ? 76.500 -18.980 -22.546 1.00 46.30 ? 237 TRP D CZ2 1 ATOM 6190 C CZ3 . TRP D 4 238 ? 78.204 -18.390 -20.932 1.00 46.43 ? 237 TRP D CZ3 1 ATOM 6191 C CH2 . TRP D 4 238 ? 77.168 -19.227 -21.375 1.00 46.39 ? 237 TRP D CH2 1 ATOM 6192 N N . GLY D 4 239 ? 80.251 -12.641 -21.846 1.00 44.47 ? 238 GLY D N 1 ATOM 6193 C CA . GLY D 4 239 ? 81.453 -11.855 -21.571 1.00 45.88 ? 238 GLY D CA 1 ATOM 6194 C C . GLY D 4 239 ? 82.594 -12.215 -22.508 1.00 49.13 ? 238 GLY D C 1 ATOM 6195 O O . GLY D 4 239 ? 82.545 -13.243 -23.186 1.00 50.40 ? 238 GLY D O 1 ATOM 6196 N N . ARG D 4 240 ? 83.618 -11.365 -22.555 1.00 50.93 ? 239 ARG D N 1 ATOM 6197 C CA . ARG D 4 240 ? 84.770 -11.591 -23.437 1.00 54.65 ? 239 ARG D CA 1 ATOM 6198 C C . ARG D 4 240 ? 86.032 -10.872 -22.972 1.00 56.53 ? 239 ARG D C 1 ATOM 6199 O O . ARG D 4 240 ? 85.954 -9.833 -22.313 1.00 55.39 ? 239 ARG D O 1 ATOM 6200 C CB . ARG D 4 240 ? 84.440 -11.205 -24.886 1.00 55.61 ? 239 ARG D CB 1 ATOM 6201 C CG . ARG D 4 240 ? 84.118 -9.735 -25.103 1.00 55.52 ? 239 ARG D CG 1 ATOM 6202 C CD . ARG D 4 240 ? 83.143 -9.564 -26.251 1.00 56.64 ? 239 ARG D CD 1 ATOM 6203 N NE . ARG D 4 240 ? 81.801 -10.016 -25.880 1.00 54.79 ? 239 ARG D NE 1 ATOM 6204 C CZ . ARG D 4 240 ? 80.760 -10.051 -26.707 1.00 54.81 ? 239 ARG D CZ 1 ATOM 6205 N NH1 . ARG D 4 240 ? 80.889 -9.660 -27.973 1.00 57.41 ? 239 ARG D NH1 1 ATOM 6206 N NH2 . ARG D 4 240 ? 79.582 -10.479 -26.267 1.00 51.98 ? 239 ARG D NH2 1 ATOM 6207 N N . ALA D 4 241 ? 87.184 -11.434 -23.337 1.00 59.88 ? 240 ALA D N 1 ATOM 6208 C CA . ALA D 4 241 ? 88.492 -10.887 -22.976 1.00 62.40 ? 240 ALA D CA 1 ATOM 6209 C C . ALA D 4 241 ? 88.754 -9.536 -23.637 1.00 63.40 ? 240 ALA D C 1 ATOM 6210 O O . ALA D 4 241 ? 89.083 -8.558 -22.961 1.00 63.33 ? 240 ALA D O 1 ATOM 6211 C CB . ALA D 4 241 ? 89.590 -11.872 -23.340 1.00 66.14 ? 240 ALA D CB 1 ATOM 6212 N N . ASN E 1 7 ? 19.331 38.075 49.239 1.00 119.49 ? 7 ASN E N 1 ATOM 6213 C CA . ASN E 1 7 ? 19.267 39.365 48.494 1.00 114.17 ? 7 ASN E CA 1 ATOM 6214 C C . ASN E 1 7 ? 20.193 39.350 47.272 1.00 107.94 ? 7 ASN E C 1 ATOM 6215 O O . ASN E 1 7 ? 21.302 39.893 47.314 1.00 107.79 ? 7 ASN E O 1 ATOM 6216 C CB . ASN E 1 7 ? 19.608 40.532 49.431 1.00 117.95 ? 7 ASN E CB 1 ATOM 6217 C CG . ASN E 1 7 ? 19.003 41.853 48.976 1.00 114.62 ? 7 ASN E CG 1 ATOM 6218 O OD1 . ASN E 1 7 ? 18.911 42.138 47.780 1.00 108.04 ? 7 ASN E OD1 1 ATOM 6219 N ND2 . ASN E 1 7 ? 18.592 42.672 49.939 1.00 119.32 ? 7 ASN E ND2 1 ATOM 6220 N N . TYR E 1 8 ? 19.727 38.727 46.189 1.00 103.23 ? 8 TYR E N 1 ATOM 6221 C CA . TYR E 1 8 ? 20.559 38.469 45.008 1.00 97.92 ? 8 TYR E CA 1 ATOM 6222 C C . TYR E 1 8 ? 19.863 38.889 43.709 1.00 91.60 ? 8 TYR E C 1 ATOM 6223 O O . TYR E 1 8 ? 18.736 39.389 43.735 1.00 91.22 ? 8 TYR E O 1 ATOM 6224 C CB . TYR E 1 8 ? 20.957 36.985 44.953 1.00 99.66 ? 8 TYR E CB 1 ATOM 6225 C CG . TYR E 1 8 ? 21.584 36.468 46.235 1.00 106.52 ? 8 TYR E CG 1 ATOM 6226 C CD1 . TYR E 1 8 ? 22.960 36.567 46.455 1.00 107.70 ? 8 TYR E CD1 1 ATOM 6227 C CD2 . TYR E 1 8 ? 20.799 35.885 47.232 1.00 112.06 ? 8 TYR E CD2 1 ATOM 6228 C CE1 . TYR E 1 8 ? 23.536 36.098 47.637 1.00 114.33 ? 8 TYR E CE1 1 ATOM 6229 C CE2 . TYR E 1 8 ? 21.363 35.415 48.414 1.00 118.82 ? 8 TYR E CE2 1 ATOM 6230 C CZ . TYR E 1 8 ? 22.730 35.523 48.610 1.00 119.87 ? 8 TYR E CZ 1 ATOM 6231 O OH . TYR E 1 8 ? 23.286 35.055 49.777 1.00 126.49 ? 8 TYR E OH 1 ATOM 6232 N N . THR E 1 9 ? 20.539 38.687 42.578 1.00 86.99 ? 9 THR E N 1 ATOM 6233 C CA . THR E 1 9 ? 19.989 39.052 41.270 1.00 81.07 ? 9 THR E CA 1 ATOM 6234 C C . THR E 1 9 ? 20.079 37.902 40.260 1.00 78.56 ? 9 THR E C 1 ATOM 6235 O O . THR E 1 9 ? 21.105 37.228 40.152 1.00 79.20 ? 9 THR E O 1 ATOM 6236 C CB . THR E 1 9 ? 20.664 40.332 40.710 1.00 77.73 ? 9 THR E CB 1 ATOM 6237 O OG1 . THR E 1 9 ? 20.676 41.348 41.721 1.00 80.93 ? 9 THR E OG1 1 ATOM 6238 C CG2 . THR E 1 9 ? 19.925 40.860 39.483 1.00 72.37 ? 9 THR E CG2 1 ATOM 6239 N N . PHE E 1 10 ? 18.982 37.694 39.537 1.00 76.08 ? 10 PHE E N 1 ATOM 6240 C CA . PHE E 1 10 ? 18.871 36.680 38.491 1.00 73.88 ? 10 PHE E CA 1 ATOM 6241 C C . PHE E 1 10 ? 18.885 37.372 37.123 1.00 68.45 ? 10 PHE E C 1 ATOM 6242 O O . PHE E 1 10 ? 18.231 38.402 36.939 1.00 66.43 ? 10 PHE E O 1 ATOM 6243 C CB . PHE E 1 10 ? 17.572 35.894 38.695 1.00 75.87 ? 10 PHE E CB 1 ATOM 6244 C CG . PHE E 1 10 ? 17.379 34.755 37.735 1.00 74.39 ? 10 PHE E CG 1 ATOM 6245 C CD1 . PHE E 1 10 ? 18.170 33.613 37.815 1.00 76.36 ? 10 PHE E CD1 1 ATOM 6246 C CD2 . PHE E 1 10 ? 16.381 34.810 36.769 1.00 71.18 ? 10 PHE E CD2 1 ATOM 6247 C CE1 . PHE E 1 10 ? 17.983 32.553 36.934 1.00 75.64 ? 10 PHE E CE1 1 ATOM 6248 C CE2 . PHE E 1 10 ? 16.186 33.754 35.884 1.00 70.49 ? 10 PHE E CE2 1 ATOM 6249 C CZ . PHE E 1 10 ? 16.988 32.624 35.967 1.00 72.73 ? 10 PHE E CZ 1 ATOM 6250 N N . ARG E 1 11 ? 19.636 36.814 36.173 1.00 66.48 ? 11 ARG E N 1 ATOM 6251 C CA . ARG E 1 11 ? 19.833 37.450 34.866 1.00 61.82 ? 11 ARG E CA 1 ATOM 6252 C C . ARG E 1 11 ? 19.790 36.475 33.692 1.00 60.21 ? 11 ARG E C 1 ATOM 6253 O O . ARG E 1 11 ? 20.521 35.485 33.674 1.00 62.10 ? 11 ARG E O 1 ATOM 6254 C CB . ARG E 1 11 ? 21.167 38.200 34.833 1.00 61.04 ? 11 ARG E CB 1 ATOM 6255 C CG . ARG E 1 11 ? 21.202 39.498 35.616 1.00 61.82 ? 11 ARG E CG 1 ATOM 6256 C CD . ARG E 1 11 ? 22.630 39.997 35.733 1.00 62.37 ? 11 ARG E CD 1 ATOM 6257 N NE . ARG E 1 11 ? 22.702 41.322 36.342 1.00 63.29 ? 11 ARG E NE 1 ATOM 6258 C CZ . ARG E 1 11 ? 23.023 41.555 37.611 1.00 67.53 ? 11 ARG E CZ 1 ATOM 6259 N NH1 . ARG E 1 11 ? 23.311 40.551 38.433 1.00 71.21 ? 11 ARG E NH1 1 ATOM 6260 N NH2 . ARG E 1 11 ? 23.060 42.802 38.060 1.00 68.42 ? 11 ARG E NH2 1 ATOM 6261 N N . CYS E 1 12 ? 18.933 36.770 32.717 1.00 57.16 ? 12 CYS E N 1 ATOM 6262 C CA . CYS E 1 12 ? 18.910 36.058 31.445 1.00 55.47 ? 12 CYS E CA 1 ATOM 6263 C C . CYS E 1 12 ? 19.508 36.979 30.396 1.00 51.69 ? 12 CYS E C 1 ATOM 6264 O O . CYS E 1 12 ? 18.897 37.977 30.013 1.00 49.45 ? 12 CYS E O 1 ATOM 6265 C CB . CYS E 1 12 ? 17.482 35.683 31.056 1.00 55.27 ? 12 CYS E CB 1 ATOM 6266 S SG . CYS E 1 12 ? 16.685 34.521 32.171 1.00 61.27 ? 12 CYS E SG 1 ATOM 6267 N N . LEU E 1 13 ? 20.707 36.647 29.934 1.00 51.50 ? 13 LEU E N 1 ATOM 6268 C CA . LEU E 1 13 ? 21.448 37.540 29.050 1.00 48.55 ? 13 LEU E CA 1 ATOM 6269 C C . LEU E 1 13 ? 21.417 37.077 27.601 1.00 46.84 ? 13 LEU E C 1 ATOM 6270 O O . LEU E 1 13 ? 21.946 36.021 27.270 1.00 48.33 ? 13 LEU E O 1 ATOM 6271 C CB . LEU E 1 13 ? 22.887 37.719 29.545 1.00 49.76 ? 13 LEU E CB 1 ATOM 6272 C CG . LEU E 1 13 ? 23.083 38.138 31.006 1.00 51.82 ? 13 LEU E CG 1 ATOM 6273 C CD1 . LEU E 1 13 ? 24.559 38.368 31.287 1.00 52.92 ? 13 LEU E CD1 1 ATOM 6274 C CD2 . LEU E 1 13 ? 22.267 39.374 31.377 1.00 49.89 ? 13 LEU E CD2 1 ATOM 6275 N N . GLN E 1 14 ? 20.783 37.876 26.748 1.00 44.13 ? 14 GLN E N 1 ATOM 6276 C CA . GLN E 1 14 ? 20.644 37.560 25.330 1.00 42.83 ? 14 GLN E CA 1 ATOM 6277 C C . GLN E 1 14 ? 21.468 38.519 24.478 1.00 41.02 ? 14 GLN E C 1 ATOM 6278 O O . GLN E 1 14 ? 21.297 39.738 24.559 1.00 39.46 ? 14 GLN E O 1 ATOM 6279 C CB . GLN E 1 14 ? 19.174 37.625 24.915 1.00 41.65 ? 14 GLN E CB 1 ATOM 6280 C CG . GLN E 1 14 ? 18.922 37.364 23.438 1.00 41.12 ? 14 GLN E CG 1 ATOM 6281 C CD . GLN E 1 14 ? 17.472 37.587 23.044 1.00 41.26 ? 14 GLN E CD 1 ATOM 6282 O OE1 . GLN E 1 14 ? 16.557 37.314 23.820 1.00 42.63 ? 14 GLN E OE1 1 ATOM 6283 N NE2 . GLN E 1 14 ? 17.257 38.086 21.833 1.00 39.69 ? 14 GLN E NE2 1 ATOM 6284 N N . MET E 1 15 ? 22.359 37.960 23.664 1.00 41.55 ? 15 MET E N 1 ATOM 6285 C CA . MET E 1 15 ? 23.157 38.760 22.741 1.00 40.39 ? 15 MET E CA 1 ATOM 6286 C C . MET E 1 15 ? 22.942 38.333 21.284 1.00 39.99 ? 15 MET E C 1 ATOM 6287 O O . MET E 1 15 ? 23.323 37.235 20.874 1.00 41.60 ? 15 MET E O 1 ATOM 6288 C CB . MET E 1 15 ? 24.638 38.767 23.148 1.00 41.83 ? 15 MET E CB 1 ATOM 6289 C CG . MET E 1 15 ? 25.274 37.397 23.309 1.00 44.68 ? 15 MET E CG 1 ATOM 6290 S SD . MET E 1 15 ? 26.456 37.337 24.665 1.00 47.79 ? 15 MET E SD 1 ATOM 6291 C CE . MET E 1 15 ? 25.443 36.662 25.985 1.00 47.95 ? 15 MET E CE 1 ATOM 6292 N N . SER E 1 16 ? 22.299 39.215 20.523 1.00 38.14 ? 16 SER E N 1 ATOM 6293 C CA . SER E 1 16 ? 21.919 38.935 19.145 1.00 38.17 ? 16 SER E CA 1 ATOM 6294 C C . SER E 1 16 ? 22.687 39.807 18.166 1.00 37.76 ? 16 SER E C 1 ATOM 6295 O O . SER E 1 16 ? 22.768 41.026 18.330 1.00 36.57 ? 16 SER E O 1 ATOM 6296 C CB . SER E 1 16 ? 20.410 39.123 18.950 1.00 37.04 ? 16 SER E CB 1 ATOM 6297 O OG . SER E 1 16 ? 19.678 38.063 19.547 1.00 38.26 ? 16 SER E OG 1 ATOM 6298 N N . SER E 1 17 ? 23.250 39.168 17.146 1.00 39.35 ? 17 SER E N 1 ATOM 6299 C CA . SER E 1 17 ? 24.019 39.868 16.124 1.00 39.70 ? 17 SER E CA 1 ATOM 6300 C C . SER E 1 17 ? 23.378 39.713 14.758 1.00 40.18 ? 17 SER E C 1 ATOM 6301 O O . SER E 1 17 ? 22.923 38.625 14.391 1.00 41.57 ? 17 SER E O 1 ATOM 6302 C CB . SER E 1 17 ? 25.456 39.359 16.086 1.00 41.72 ? 17 SER E CB 1 ATOM 6303 O OG . SER E 1 17 ? 26.076 39.544 17.343 1.00 41.73 ? 17 SER E OG 1 ATOM 6304 N N . PHE E 1 18 ? 23.341 40.816 14.019 1.00 39.53 ? 18 PHE E N 1 ATOM 6305 C CA . PHE E 1 18 ? 22.811 40.842 12.666 1.00 40.39 ? 18 PHE E CA 1 ATOM 6306 C C . PHE E 1 18 ? 23.832 41.550 11.789 1.00 41.98 ? 18 PHE E C 1 ATOM 6307 O O . PHE E 1 18 ? 24.016 42.763 11.902 1.00 41.06 ? 18 PHE E O 1 ATOM 6308 C CB . PHE E 1 18 ? 21.474 41.592 12.626 1.00 38.44 ? 18 PHE E CB 1 ATOM 6309 C CG . PHE E 1 18 ? 20.393 40.969 13.466 1.00 36.76 ? 18 PHE E CG 1 ATOM 6310 C CD1 . PHE E 1 18 ? 20.257 41.305 14.808 1.00 34.70 ? 18 PHE E CD1 1 ATOM 6311 C CD2 . PHE E 1 18 ? 19.500 40.062 12.910 1.00 38.04 ? 18 PHE E CD2 1 ATOM 6312 C CE1 . PHE E 1 18 ? 19.261 40.736 15.589 1.00 34.09 ? 18 PHE E CE1 1 ATOM 6313 C CE2 . PHE E 1 18 ? 18.496 39.485 13.680 1.00 37.23 ? 18 PHE E CE2 1 ATOM 6314 C CZ . PHE E 1 18 ? 18.379 39.824 15.026 1.00 35.65 ? 18 PHE E CZ 1 ATOM 6315 N N . ALA E 1 19 ? 24.510 40.787 10.936 1.00 44.86 ? 19 ALA E N 1 ATOM 6316 C CA . ALA E 1 19 ? 25.534 41.350 10.055 1.00 47.34 ? 19 ALA E CA 1 ATOM 6317 C C . ALA E 1 19 ? 24.934 41.898 8.765 1.00 48.71 ? 19 ALA E C 1 ATOM 6318 O O . ALA E 1 19 ? 25.440 42.872 8.205 1.00 49.75 ? 19 ALA E O 1 ATOM 6319 C CB . ALA E 1 19 ? 26.608 40.320 9.748 1.00 50.25 ? 19 ALA E CB 1 ATOM 6320 N N . ASN E 1 20 ? 23.863 41.254 8.301 1.00 49.28 ? 20 ASN E N 1 ATOM 6321 C CA . ASN E 1 20 ? 23.125 41.672 7.110 1.00 50.93 ? 20 ASN E CA 1 ATOM 6322 C C . ASN E 1 20 ? 21.754 41.001 7.031 1.00 50.51 ? 20 ASN E C 1 ATOM 6323 O O . ASN E 1 20 ? 21.278 40.440 8.022 1.00 48.83 ? 20 ASN E O 1 ATOM 6324 C CB . ASN E 1 20 ? 23.938 41.429 5.829 1.00 55.06 ? 20 ASN E CB 1 ATOM 6325 C CG . ASN E 1 20 ? 24.662 40.099 5.835 1.00 58.14 ? 20 ASN E CG 1 ATOM 6326 O OD1 . ASN E 1 20 ? 24.047 39.042 5.990 1.00 58.88 ? 20 ASN E OD1 1 ATOM 6327 N ND2 . ASN E 1 20 ? 25.984 40.146 5.658 1.00 61.46 ? 20 ASN E ND2 1 ATOM 6328 N N . ARG E 1 21 ? 21.129 41.065 5.855 1.00 52.60 ? 21 ARG E N 1 ATOM 6329 C CA . ARG E 1 21 ? 19.774 40.546 5.636 1.00 52.63 ? 21 ARG E CA 1 ATOM 6330 C C . ARG E 1 21 ? 19.610 39.050 5.933 1.00 53.77 ? 21 ARG E C 1 ATOM 6331 O O . ARG E 1 21 ? 18.524 38.611 6.316 1.00 52.93 ? 21 ARG E O 1 ATOM 6332 C CB . ARG E 1 21 ? 19.312 40.832 4.201 1.00 55.54 ? 21 ARG E CB 1 ATOM 6333 C CG . ARG E 1 21 ? 19.009 42.298 3.902 1.00 54.84 ? 21 ARG E CG 1 ATOM 6334 C CD . ARG E 1 21 ? 18.395 42.464 2.512 1.00 57.87 ? 21 ARG E CD 1 ATOM 6335 N N . SER E 1 22 ? 20.679 38.276 5.755 1.00 56.08 ? 22 SER E N 1 ATOM 6336 C CA . SER E 1 22 ? 20.606 36.824 5.923 1.00 58.04 ? 22 SER E CA 1 ATOM 6337 C C . SER E 1 22 ? 21.298 36.323 7.191 1.00 56.66 ? 22 SER E C 1 ATOM 6338 O O . SER E 1 22 ? 20.693 35.600 7.987 1.00 56.12 ? 22 SER E O 1 ATOM 6339 C CB . SER E 1 22 ? 21.167 36.106 4.689 1.00 62.81 ? 22 SER E CB 1 ATOM 6340 O OG . SER E 1 22 ? 22.532 36.427 4.486 1.00 64.06 ? 22 SER E OG 1 ATOM 6341 N N . TRP E 1 23 ? 22.559 36.712 7.371 1.00 56.56 ? 23 TRP E N 1 ATOM 6342 C CA . TRP E 1 23 ? 23.382 36.228 8.478 1.00 55.81 ? 23 TRP E CA 1 ATOM 6343 C C . TRP E 1 23 ? 22.925 36.792 9.820 1.00 51.89 ? 23 TRP E C 1 ATOM 6344 O O . TRP E 1 23 ? 22.852 38.011 10.000 1.00 49.67 ? 23 TRP E O 1 ATOM 6345 C CB . TRP E 1 23 ? 24.849 36.574 8.230 1.00 57.30 ? 23 TRP E CB 1 ATOM 6346 C CG . TRP E 1 23 ? 25.810 35.795 9.077 1.00 58.38 ? 23 TRP E CG 1 ATOM 6347 C CD1 . TRP E 1 23 ? 26.456 34.645 8.731 1.00 62.25 ? 23 TRP E CD1 1 ATOM 6348 C CD2 . TRP E 1 23 ? 26.241 36.113 10.408 1.00 56.07 ? 23 TRP E CD2 1 ATOM 6349 N NE1 . TRP E 1 23 ? 27.263 34.225 9.762 1.00 62.36 ? 23 TRP E NE1 1 ATOM 6350 C CE2 . TRP E 1 23 ? 27.150 35.107 10.803 1.00 58.44 ? 23 TRP E CE2 1 ATOM 6351 C CE3 . TRP E 1 23 ? 25.947 37.150 11.305 1.00 52.44 ? 23 TRP E CE3 1 ATOM 6352 C CZ2 . TRP E 1 23 ? 27.771 35.106 12.056 1.00 57.50 ? 23 TRP E CZ2 1 ATOM 6353 C CZ3 . TRP E 1 23 ? 26.562 37.149 12.551 1.00 51.68 ? 23 TRP E CZ3 1 ATOM 6354 C CH2 . TRP E 1 23 ? 27.465 36.131 12.915 1.00 54.19 ? 23 TRP E CH2 1 ATOM 6355 N N . SER E 1 24 ? 22.626 35.893 10.755 1.00 51.55 ? 24 SER E N 1 ATOM 6356 C CA . SER E 1 24 ? 22.125 36.261 12.078 1.00 48.50 ? 24 SER E CA 1 ATOM 6357 C C . SER E 1 24 ? 22.500 35.214 13.124 1.00 49.40 ? 24 SER E C 1 ATOM 6358 O O . SER E 1 24 ? 22.530 34.019 12.831 1.00 52.20 ? 24 SER E O 1 ATOM 6359 C CB . SER E 1 24 ? 20.604 36.424 12.038 1.00 47.22 ? 24 SER E CB 1 ATOM 6360 O OG . SER E 1 24 ? 20.062 36.495 13.346 1.00 45.40 ? 24 SER E OG 1 ATOM 6361 N N . ARG E 1 25 ? 22.764 35.669 14.346 1.00 47.42 ? 25 ARG E N 1 ATOM 6362 C CA . ARG E 1 25 ? 23.143 34.773 15.439 1.00 48.52 ? 25 ARG E CA 1 ATOM 6363 C C . ARG E 1 25 ? 22.569 35.227 16.781 1.00 46.38 ? 25 ARG E C 1 ATOM 6364 O O . ARG E 1 25 ? 22.652 36.403 17.136 1.00 44.09 ? 25 ARG E O 1 ATOM 6365 C CB . ARG E 1 25 ? 24.672 34.655 15.525 1.00 50.11 ? 25 ARG E CB 1 ATOM 6366 C CG . ARG E 1 25 ? 25.178 33.698 16.595 1.00 51.76 ? 25 ARG E CG 1 ATOM 6367 C CD . ARG E 1 25 ? 26.680 33.488 16.501 1.00 53.76 ? 25 ARG E CD 1 ATOM 6368 N NE . ARG E 1 25 ? 27.123 32.403 17.376 1.00 56.44 ? 25 ARG E NE 1 ATOM 6369 C CZ . ARG E 1 25 ? 27.182 31.119 17.024 1.00 60.05 ? 25 ARG E CZ 1 ATOM 6370 N NH1 . ARG E 1 25 ? 26.833 30.734 15.800 1.00 61.44 ? 25 ARG E NH1 1 ATOM 6371 N NH2 . ARG E 1 25 ? 27.596 30.212 17.900 1.00 62.53 ? 25 ARG E NH2 1 ATOM 6372 N N . THR E 1 26 ? 21.992 34.285 17.522 1.00 47.56 ? 26 THR E N 1 ATOM 6373 C CA . THR E 1 26 ? 21.491 34.559 18.865 1.00 46.54 ? 26 THR E CA 1 ATOM 6374 C C . THR E 1 26 ? 22.096 33.590 19.882 1.00 48.86 ? 26 THR E C 1 ATOM 6375 O O . THR E 1 26 ? 21.874 32.383 19.813 1.00 51.52 ? 26 THR E O 1 ATOM 6376 C CB . THR E 1 26 ? 19.947 34.511 18.918 1.00 45.99 ? 26 THR E CB 1 ATOM 6377 O OG1 . THR E 1 26 ? 19.404 35.494 18.022 1.00 44.15 ? 26 THR E OG1 1 ATOM 6378 C CG2 . THR E 1 26 ? 19.440 34.784 20.333 1.00 45.53 ? 26 THR E CG2 1 ATOM 6379 N N . ASP E 1 27 ? 22.876 34.132 20.810 1.00 48.36 ? 27 ASP E N 1 ATOM 6380 C CA . ASP E 1 27 ? 23.462 33.349 21.892 1.00 50.78 ? 27 ASP E CA 1 ATOM 6381 C C . ASP E 1 27 ? 23.027 33.944 23.219 1.00 49.90 ? 27 ASP E C 1 ATOM 6382 O O . ASP E 1 27 ? 22.935 35.165 23.355 1.00 47.59 ? 27 ASP E O 1 ATOM 6383 C CB . ASP E 1 27 ? 24.990 33.349 21.803 1.00 51.97 ? 27 ASP E CB 1 ATOM 6384 C CG . ASP E 1 27 ? 25.511 32.669 20.548 1.00 53.94 ? 27 ASP E CG 1 ATOM 6385 O OD1 . ASP E 1 27 ? 26.391 33.259 19.888 1.00 54.21 ? 27 ASP E OD1 1 ATOM 6386 O OD2 . ASP E 1 27 ? 25.055 31.552 20.217 1.00 56.25 ? 27 ASP E OD2 1 ATOM 6387 N N . SER E 1 28 ? 22.757 33.084 24.195 1.00 52.19 ? 28 SER E N 1 ATOM 6388 C CA . SER E 1 28 ? 22.294 33.546 25.499 1.00 52.24 ? 28 SER E CA 1 ATOM 6389 C C . SER E 1 28 ? 22.807 32.692 26.654 1.00 55.67 ? 28 SER E C 1 ATOM 6390 O O . SER E 1 28 ? 22.954 31.476 26.524 1.00 58.51 ? 28 SER E O 1 ATOM 6391 C CB . SER E 1 28 ? 20.766 33.622 25.531 1.00 51.40 ? 28 SER E CB 1 ATOM 6392 O OG . SER E 1 28 ? 20.198 32.348 25.305 1.00 54.22 ? 28 SER E OG 1 ATOM 6393 N N . VAL E 1 29 ? 23.080 33.350 27.779 1.00 55.90 ? 29 VAL E N 1 ATOM 6394 C CA . VAL E 1 29 ? 23.561 32.688 28.996 1.00 59.51 ? 29 VAL E CA 1 ATOM 6395 C C . VAL E 1 29 ? 22.822 33.210 30.233 1.00 60.14 ? 29 VAL E C 1 ATOM 6396 O O . VAL E 1 29 ? 22.478 34.393 30.310 1.00 57.75 ? 29 VAL E O 1 ATOM 6397 C CB . VAL E 1 29 ? 25.097 32.846 29.187 1.00 60.42 ? 29 VAL E CB 1 ATOM 6398 C CG1 . VAL E 1 29 ? 25.858 31.975 28.197 1.00 61.36 ? 29 VAL E CG1 1 ATOM 6399 C CG2 . VAL E 1 29 ? 25.525 34.306 29.061 1.00 57.74 ? 29 VAL E CG2 1 ATOM 6400 N N . VAL E 1 30 ? 22.583 32.322 31.195 1.00 63.77 ? 30 VAL E N 1 ATOM 6401 C CA . VAL E 1 30 ? 21.824 32.672 32.397 1.00 65.21 ? 30 VAL E CA 1 ATOM 6402 C C . VAL E 1 30 ? 22.695 32.639 33.654 1.00 68.61 ? 30 VAL E C 1 ATOM 6403 O O . VAL E 1 30 ? 23.516 31.735 33.834 1.00 71.40 ? 30 VAL E O 1 ATOM 6404 C CB . VAL E 1 30 ? 20.582 31.766 32.564 1.00 67.29 ? 30 VAL E CB 1 ATOM 6405 C CG1 . VAL E 1 30 ? 19.834 32.093 33.841 1.00 69.49 ? 30 VAL E CG1 1 ATOM 6406 C CG2 . VAL E 1 30 ? 19.656 31.921 31.371 1.00 64.31 ? 30 VAL E CG2 1 ATOM 6407 N N . TRP E 1 31 ? 22.502 33.637 34.514 1.00 68.66 ? 31 TRP E N 1 ATOM 6408 C CA . TRP E 1 31 ? 23.266 33.770 35.749 1.00 72.19 ? 31 TRP E CA 1 ATOM 6409 C C . TRP E 1 31 ? 22.361 33.805 36.980 1.00 75.37 ? 31 TRP E C 1 ATOM 6410 O O . TRP E 1 31 ? 21.292 34.420 36.961 1.00 73.74 ? 31 TRP E O 1 ATOM 6411 C CB . TRP E 1 31 ? 24.119 35.042 35.709 1.00 70.20 ? 31 TRP E CB 1 ATOM 6412 C CG . TRP E 1 31 ? 25.205 35.030 34.667 1.00 68.25 ? 31 TRP E CG 1 ATOM 6413 C CD1 . TRP E 1 31 ? 25.086 35.385 33.353 1.00 64.31 ? 31 TRP E CD1 1 ATOM 6414 C CD2 . TRP E 1 31 ? 26.575 34.656 34.858 1.00 70.52 ? 31 TRP E CD2 1 ATOM 6415 N NE1 . TRP E 1 31 ? 26.295 35.249 32.713 1.00 63.85 ? 31 TRP E NE1 1 ATOM 6416 C CE2 . TRP E 1 31 ? 27.226 34.803 33.614 1.00 67.62 ? 31 TRP E CE2 1 ATOM 6417 C CE3 . TRP E 1 31 ? 27.315 34.205 35.959 1.00 74.75 ? 31 TRP E CE3 1 ATOM 6418 C CZ2 . TRP E 1 31 ? 28.585 34.515 33.440 1.00 68.99 ? 31 TRP E CZ2 1 ATOM 6419 C CZ3 . TRP E 1 31 ? 28.666 33.923 35.785 1.00 75.75 ? 31 TRP E CZ3 1 ATOM 6420 C CH2 . TRP E 1 31 ? 29.284 34.079 34.535 1.00 72.77 ? 31 TRP E CH2 1 ATOM 6421 N N . LEU E 1 32 ? 22.800 33.134 38.043 1.00 80.16 ? 32 LEU E N 1 ATOM 6422 C CA . LEU E 1 32 ? 22.170 33.249 39.356 1.00 84.12 ? 32 LEU E CA 1 ATOM 6423 C C . LEU E 1 32 ? 23.169 33.878 40.325 1.00 86.58 ? 32 LEU E C 1 ATOM 6424 O O . LEU E 1 32 ? 23.981 33.181 40.941 1.00 90.52 ? 32 LEU E O 1 ATOM 6425 C CB . LEU E 1 32 ? 21.690 31.884 39.862 1.00 88.78 ? 32 LEU E CB 1 ATOM 6426 N N . GLY E 1 33 ? 23.106 35.202 40.446 1.00 84.55 ? 33 GLY E N 1 ATOM 6427 C CA . GLY E 1 33 ? 24.102 35.958 41.200 1.00 86.56 ? 33 GLY E CA 1 ATOM 6428 C C . GLY E 1 33 ? 25.347 36.124 40.351 1.00 83.82 ? 33 GLY E C 1 ATOM 6429 O O . GLY E 1 33 ? 25.378 36.960 39.444 1.00 79.38 ? 33 GLY E O 1 ATOM 6430 N N . ASP E 1 34 ? 26.370 35.321 40.643 1.00 86.81 ? 34 ASP E N 1 ATOM 6431 C CA . ASP E 1 34 ? 27.581 35.269 39.817 1.00 84.84 ? 34 ASP E CA 1 ATOM 6432 C C . ASP E 1 34 ? 27.975 33.840 39.411 1.00 86.24 ? 34 ASP E C 1 ATOM 6433 O O . ASP E 1 34 ? 29.135 33.576 39.083 1.00 86.64 ? 34 ASP E O 1 ATOM 6434 C CB . ASP E 1 34 ? 28.749 36.011 40.488 1.00 87.08 ? 34 ASP E CB 1 ATOM 6435 C CG . ASP E 1 34 ? 29.077 35.473 41.871 1.00 93.50 ? 34 ASP E CG 1 ATOM 6436 O OD1 . ASP E 1 34 ? 29.602 34.343 41.974 1.00 96.35 ? 34 ASP E OD1 1 ATOM 6437 O OD2 . ASP E 1 34 ? 28.827 36.198 42.856 1.00 96.35 ? 34 ASP E OD2 1 ATOM 6438 N N . LEU E 1 35 ? 27.000 32.931 39.428 1.00 87.32 ? 35 LEU E N 1 ATOM 6439 C CA . LEU E 1 35 ? 27.194 31.555 38.971 1.00 88.87 ? 35 LEU E CA 1 ATOM 6440 C C . LEU E 1 35 ? 26.304 31.263 37.762 1.00 85.04 ? 35 LEU E C 1 ATOM 6441 O O . LEU E 1 35 ? 25.088 31.467 37.814 1.00 84.13 ? 35 LEU E O 1 ATOM 6442 C CB . LEU E 1 35 ? 26.910 30.564 40.104 1.00 94.88 ? 35 LEU E CB 1 ATOM 6443 N N . GLN E 1 36 ? 26.917 30.796 36.676 1.00 83.26 ? 36 GLN E N 1 ATOM 6444 C CA . GLN E 1 36 ? 26.206 30.543 35.422 1.00 79.79 ? 36 GLN E CA 1 ATOM 6445 C C . GLN E 1 36 ? 25.400 29.250 35.489 1.00 82.73 ? 36 GLN E C 1 ATOM 6446 O O . GLN E 1 36 ? 25.942 28.190 35.807 1.00 86.73 ? 36 GLN E O 1 ATOM 6447 C CB . GLN E 1 36 ? 27.181 30.499 34.241 1.00 77.58 ? 36 GLN E CB 1 ATOM 6448 C CG . GLN E 1 36 ? 26.504 30.346 32.879 1.00 74.55 ? 36 GLN E CG 1 ATOM 6449 C CD . GLN E 1 36 ? 27.459 29.935 31.768 1.00 74.47 ? 36 GLN E CD 1 ATOM 6450 O OE1 . GLN E 1 36 ? 28.679 30.053 31.896 1.00 76.01 ? 36 GLN E OE1 1 ATOM 6451 N NE2 . GLN E 1 36 ? 26.900 29.450 30.665 1.00 73.25 ? 36 GLN E NE2 1 ATOM 6452 N N . THR E 1 37 ? 24.111 29.348 35.168 1.00 80.90 ? 37 THR E N 1 ATOM 6453 C CA . THR E 1 37 ? 23.199 28.210 35.273 1.00 83.93 ? 37 THR E CA 1 ATOM 6454 C C . THR E 1 37 ? 22.755 27.623 33.926 1.00 82.06 ? 37 THR E C 1 ATOM 6455 O O . THR E 1 37 ? 22.523 26.418 33.830 1.00 85.45 ? 37 THR E O 1 ATOM 6456 C CB . THR E 1 37 ? 21.957 28.544 36.133 1.00 85.05 ? 37 THR E CB 1 ATOM 6457 O OG1 . THR E 1 37 ? 21.179 29.560 35.492 1.00 80.13 ? 37 THR E OG1 1 ATOM 6458 C CG2 . THR E 1 37 ? 22.367 29.021 37.521 1.00 87.94 ? 37 THR E CG2 1 ATOM 6459 N N . HIS E 1 38 ? 22.640 28.459 32.894 1.00 77.14 ? 38 HIS E N 1 ATOM 6460 C CA . HIS E 1 38 ? 22.176 27.988 31.581 1.00 75.57 ? 38 HIS E CA 1 ATOM 6461 C C . HIS E 1 38 ? 23.039 28.453 30.406 1.00 72.30 ? 38 HIS E C 1 ATOM 6462 O O . HIS E 1 38 ? 23.716 29.482 30.482 1.00 69.92 ? 38 HIS E O 1 ATOM 6463 C CB . HIS E 1 38 ? 20.716 28.387 31.341 1.00 73.50 ? 38 HIS E CB 1 ATOM 6464 C CG . HIS E 1 38 ? 19.751 27.777 32.309 1.00 77.24 ? 38 HIS E CG 1 ATOM 6465 N ND1 . HIS E 1 38 ? 19.637 28.201 33.616 1.00 78.88 ? 38 HIS E ND1 1 ATOM 6466 C CD2 . HIS E 1 38 ? 18.844 26.784 32.156 1.00 79.92 ? 38 HIS E CD2 1 ATOM 6467 C CE1 . HIS E 1 38 ? 18.708 27.490 34.228 1.00 82.47 ? 38 HIS E CE1 1 ATOM 6468 N NE2 . HIS E 1 38 ? 18.210 26.624 33.364 1.00 83.15 ? 38 HIS E NE2 1 ATOM 6469 N N . ARG E 1 39 ? 22.992 27.683 29.319 1.00 72.73 ? 39 ARG E N 1 ATOM 6470 C CA . ARG E 1 39 ? 23.732 27.981 28.091 1.00 70.28 ? 39 ARG E CA 1 ATOM 6471 C C . ARG E 1 39 ? 22.860 27.652 26.879 1.00 69.18 ? 39 ARG E C 1 ATOM 6472 O O . ARG E 1 39 ? 22.315 26.550 26.782 1.00 72.37 ? 39 ARG E O 1 ATOM 6473 C CB . ARG E 1 39 ? 25.028 27.161 28.046 1.00 73.47 ? 39 ARG E CB 1 ATOM 6474 C CG . ARG E 1 39 ? 25.755 27.178 26.703 1.00 72.25 ? 39 ARG E CG 1 ATOM 6475 C CD . ARG E 1 39 ? 26.772 26.051 26.587 1.00 76.63 ? 39 ARG E CD 1 ATOM 6476 N NE . ARG E 1 39 ? 27.910 26.229 27.490 1.00 78.67 ? 39 ARG E NE 1 ATOM 6477 C CZ . ARG E 1 39 ? 28.159 25.474 28.560 1.00 82.75 ? 39 ARG E CZ 1 ATOM 6478 N NH1 . ARG E 1 39 ? 27.354 24.467 28.878 1.00 85.80 ? 39 ARG E NH1 1 ATOM 6479 N NH2 . ARG E 1 39 ? 29.224 25.724 29.311 1.00 83.99 ? 39 ARG E NH2 1 ATOM 6480 N N . TRP E 1 40 ? 22.728 28.606 25.961 1.00 65.00 ? 40 TRP E N 1 ATOM 6481 C CA . TRP E 1 40 ? 21.929 28.393 24.755 1.00 63.90 ? 40 TRP E CA 1 ATOM 6482 C C . TRP E 1 40 ? 22.580 29.019 23.526 1.00 61.35 ? 40 TRP E C 1 ATOM 6483 O O . TRP E 1 40 ? 22.379 30.198 23.230 1.00 57.75 ? 40 TRP E O 1 ATOM 6484 C CB . TRP E 1 40 ? 20.487 28.889 24.958 1.00 62.07 ? 40 TRP E CB 1 ATOM 6485 C CG . TRP E 1 40 ? 19.502 28.432 23.898 1.00 62.13 ? 40 TRP E CG 1 ATOM 6486 C CD1 . TRP E 1 40 ? 19.656 27.393 23.020 1.00 64.74 ? 40 TRP E CD1 1 ATOM 6487 C CD2 . TRP E 1 40 ? 18.203 28.983 23.636 1.00 59.77 ? 40 TRP E CD2 1 ATOM 6488 N NE1 . TRP E 1 40 ? 18.546 27.278 22.217 1.00 64.25 ? 40 TRP E NE1 1 ATOM 6489 C CE2 . TRP E 1 40 ? 17.638 28.240 22.574 1.00 61.33 ? 40 TRP E CE2 1 ATOM 6490 C CE3 . TRP E 1 40 ? 17.466 30.040 24.188 1.00 57.30 ? 40 TRP E CE3 1 ATOM 6491 C CZ2 . TRP E 1 40 ? 16.367 28.517 22.053 1.00 60.23 ? 40 TRP E CZ2 1 ATOM 6492 C CZ3 . TRP E 1 40 ? 16.199 30.317 23.667 1.00 56.31 ? 40 TRP E CZ3 1 ATOM 6493 C CH2 . TRP E 1 40 ? 15.666 29.556 22.610 1.00 57.45 ? 40 TRP E CH2 1 ATOM 6494 N N . SER E 1 41 ? 23.377 28.216 22.826 1.00 63.72 ? 41 SER E N 1 ATOM 6495 C CA . SER E 1 41 ? 24.039 28.643 21.596 1.00 62.40 ? 41 SER E CA 1 ATOM 6496 C C . SER E 1 41 ? 23.050 28.683 20.441 1.00 61.38 ? 41 SER E C 1 ATOM 6497 O O . SER E 1 41 ? 22.002 28.037 20.493 1.00 62.86 ? 41 SER E O 1 ATOM 6498 C CB . SER E 1 41 ? 25.197 27.702 21.256 1.00 65.96 ? 41 SER E CB 1 ATOM 6499 O OG . SER E 1 41 ? 26.248 27.826 22.197 1.00 67.01 ? 41 SER E OG 1 ATOM 6500 N N . ASN E 1 42 ? 23.385 29.442 19.401 1.00 59.36 ? 42 ASN E N 1 ATOM 6501 C CA . ASN E 1 42 ? 22.550 29.520 18.207 1.00 58.79 ? 42 ASN E CA 1 ATOM 6502 C C . ASN E 1 42 ? 22.454 28.181 17.466 1.00 62.92 ? 42 ASN E C 1 ATOM 6503 O O . ASN E 1 42 ? 21.397 27.835 16.926 1.00 63.71 ? 42 ASN E O 1 ATOM 6504 C CB . ASN E 1 42 ? 23.041 30.621 17.260 1.00 56.38 ? 42 ASN E CB 1 ATOM 6505 C CG . ASN E 1 42 ? 22.099 30.839 16.096 1.00 55.79 ? 42 ASN E CG 1 ATOM 6506 O OD1 . ASN E 1 42 ? 21.003 31.374 16.267 1.00 54.01 ? 42 ASN E OD1 1 ATOM 6507 N ND2 . ASN E 1 42 ? 22.517 30.419 14.905 1.00 58.11 ? 42 ASN E ND2 1 ATOM 6508 N N . ASP E 1 43 ? 23.558 27.435 17.457 1.00 65.85 ? 43 ASP E N 1 ATOM 6509 C CA . ASP E 1 43 ? 23.630 26.132 16.796 1.00 70.47 ? 43 ASP E CA 1 ATOM 6510 C C . ASP E 1 43 ? 22.764 25.077 17.488 1.00 73.20 ? 43 ASP E C 1 ATOM 6511 O O . ASP E 1 43 ? 22.394 24.070 16.880 1.00 76.89 ? 43 ASP E O 1 ATOM 6512 C CB . ASP E 1 43 ? 25.085 25.651 16.730 1.00 73.29 ? 43 ASP E CB 1 ATOM 6513 N N . SER E 1 44 ? 22.448 25.321 18.757 1.00 71.77 ? 44 SER E N 1 ATOM 6514 C CA . SER E 1 44 ? 21.662 24.398 19.571 1.00 74.61 ? 44 SER E CA 1 ATOM 6515 C C . SER E 1 44 ? 20.158 24.530 19.296 1.00 73.69 ? 44 SER E C 1 ATOM 6516 O O . SER E 1 44 ? 19.689 25.575 18.832 1.00 69.85 ? 44 SER E O 1 ATOM 6517 C CB . SER E 1 44 ? 21.961 24.638 21.055 1.00 73.93 ? 44 SER E CB 1 ATOM 6518 O OG . SER E 1 44 ? 21.584 23.530 21.850 1.00 78.03 ? 44 SER E OG 1 ATOM 6519 N N . ALA E 1 45 ? 19.413 23.461 19.573 1.00 77.54 ? 45 ALA E N 1 ATOM 6520 C CA . ALA E 1 45 ? 17.955 23.471 19.445 1.00 77.36 ? 45 ALA E CA 1 ATOM 6521 C C . ALA E 1 45 ? 17.294 23.704 20.801 1.00 76.65 ? 45 ALA E C 1 ATOM 6522 O O . ALA E 1 45 ? 16.262 24.371 20.893 1.00 74.31 ? 45 ALA E O 1 ATOM 6523 C CB . ALA E 1 45 ? 17.461 22.171 18.824 1.00 82.54 ? 45 ALA E CB 1 ATOM 6524 N N . THR E 1 46 ? 17.904 23.152 21.847 1.00 79.16 ? 46 THR E N 1 ATOM 6525 C CA . THR E 1 46 ? 17.401 23.268 23.214 1.00 79.48 ? 46 THR E CA 1 ATOM 6526 C C . THR E 1 46 ? 18.395 24.022 24.096 1.00 77.19 ? 46 THR E C 1 ATOM 6527 O O . THR E 1 46 ? 19.582 24.110 23.772 1.00 76.53 ? 46 THR E O 1 ATOM 6528 C CB . THR E 1 46 ? 17.141 21.872 23.841 1.00 85.61 ? 46 THR E CB 1 ATOM 6529 O OG1 . THR E 1 46 ? 18.331 21.076 23.758 1.00 88.57 ? 46 THR E OG1 1 ATOM 6530 C CG2 . THR E 1 46 ? 16.006 21.144 23.122 1.00 88.53 ? 46 THR E CG2 1 ATOM 6531 N N . ILE E 1 47 ? 17.902 24.564 25.207 1.00 76.26 ? 47 ILE E N 1 ATOM 6532 C CA . ILE E 1 47 ? 18.756 25.194 26.208 1.00 75.14 ? 47 ILE E CA 1 ATOM 6533 C C . ILE E 1 47 ? 19.616 24.124 26.873 1.00 80.04 ? 47 ILE E C 1 ATOM 6534 O O . ILE E 1 47 ? 19.098 23.210 27.517 1.00 84.49 ? 47 ILE E O 1 ATOM 6535 C CB . ILE E 1 47 ? 17.928 25.963 27.268 1.00 73.76 ? 47 ILE E CB 1 ATOM 6536 C CG1 . ILE E 1 47 ? 17.152 27.105 26.603 1.00 69.05 ? 47 ILE E CG1 1 ATOM 6537 C CG2 . ILE E 1 47 ? 18.833 26.495 28.386 1.00 73.42 ? 47 ILE E CG2 1 ATOM 6538 C CD1 . ILE E 1 47 ? 16.063 27.711 27.462 1.00 68.35 ? 47 ILE E CD1 1 ATOM 6539 N N . SER E 1 48 ? 20.928 24.234 26.692 1.00 79.81 ? 48 SER E N 1 ATOM 6540 C CA . SER E 1 48 ? 21.870 23.278 27.269 1.00 84.50 ? 48 SER E CA 1 ATOM 6541 C C . SER E 1 48 ? 22.028 23.471 28.773 1.00 86.12 ? 48 SER E C 1 ATOM 6542 O O . SER E 1 48 ? 21.974 24.597 29.280 1.00 82.79 ? 48 SER E O 1 ATOM 6543 C CB . SER E 1 48 ? 23.232 23.354 26.572 1.00 83.80 ? 48 SER E CB 1 ATOM 6544 O OG . SER E 1 48 ? 23.232 22.596 25.375 1.00 85.39 ? 48 SER E OG 1 ATOM 6545 N N . PHE E 1 49 ? 22.222 22.354 29.470 1.00 91.75 ? 49 PHE E N 1 ATOM 6546 C CA . PHE E 1 49 ? 22.372 22.348 30.918 1.00 94.53 ? 49 PHE E CA 1 ATOM 6547 C C . PHE E 1 49 ? 23.837 22.479 31.326 1.00 95.16 ? 49 PHE E C 1 ATOM 6548 O O . PHE E 1 49 ? 24.677 21.688 30.897 1.00 97.77 ? 49 PHE E O 1 ATOM 6549 C CB . PHE E 1 49 ? 21.778 21.066 31.516 1.00 100.87 ? 49 PHE E CB 1 ATOM 6550 C CG . PHE E 1 49 ? 20.429 20.696 30.960 1.00 101.71 ? 49 PHE E CG 1 ATOM 6551 C CD1 . PHE E 1 49 ? 19.306 21.469 31.242 1.00 99.68 ? 49 PHE E CD1 1 ATOM 6552 C CD2 . PHE E 1 49 ? 20.279 19.564 30.165 1.00 105.66 ? 49 PHE E CD2 1 ATOM 6553 C CE1 . PHE E 1 49 ? 18.056 21.127 30.736 1.00 100.44 ? 49 PHE E CE1 1 ATOM 6554 C CE2 . PHE E 1 49 ? 19.029 19.211 29.651 1.00 106.68 ? 49 PHE E CE2 1 ATOM 6555 C CZ . PHE E 1 49 ? 17.915 19.996 29.938 1.00 103.88 ? 49 PHE E CZ 1 ATOM 6556 N N . THR E 1 50 ? 24.137 23.487 32.144 1.00 93.12 ? 50 THR E N 1 ATOM 6557 C CA . THR E 1 50 ? 25.482 23.664 32.696 1.00 94.23 ? 50 THR E CA 1 ATOM 6558 C C . THR E 1 50 ? 25.573 22.955 34.039 1.00 100.02 ? 50 THR E C 1 ATOM 6559 O O . THR E 1 50 ? 26.600 22.360 34.369 1.00 103.70 ? 50 THR E O 1 ATOM 6560 C CB . THR E 1 50 ? 25.874 25.155 32.871 1.00 89.56 ? 50 THR E CB 1 ATOM 6561 O OG1 . THR E 1 50 ? 25.112 25.742 33.933 1.00 89.53 ? 50 THR E OG1 1 ATOM 6562 C CG2 . THR E 1 50 ? 25.652 25.937 31.586 1.00 84.04 ? 50 THR E CG2 1 ATOM 6563 N N . LYS E 1 51 ? 24.489 23.038 34.807 1.00 101.21 ? 51 LYS E N 1 ATOM 6564 C CA . LYS E 1 51 ? 24.348 22.303 36.062 1.00 107.50 ? 51 LYS E CA 1 ATOM 6565 C C . LYS E 1 51 ? 23.371 21.134 35.910 1.00 111.47 ? 51 LYS E C 1 ATOM 6566 O O . LYS E 1 51 ? 22.486 21.171 35.055 1.00 108.90 ? 51 LYS E O 1 ATOM 6567 C CB . LYS E 1 51 ? 23.882 23.237 37.186 1.00 107.06 ? 51 LYS E CB 1 ATOM 6568 C CG . LYS E 1 51 ? 25.005 23.822 38.030 1.00 107.89 ? 51 LYS E CG 1 ATOM 6569 C CD . LYS E 1 51 ? 25.631 25.059 37.408 1.00 101.77 ? 51 LYS E CD 1 ATOM 6570 C CE . LYS E 1 51 ? 26.756 25.578 38.288 1.00 103.45 ? 51 LYS E CE 1 ATOM 6571 N NZ . LYS E 1 51 ? 27.298 26.880 37.816 1.00 98.40 ? 51 LYS E NZ 1 ATOM 6572 N N . PRO E 1 52 ? 23.535 20.083 36.729 1.00 118.32 ? 52 PRO E N 1 ATOM 6573 C CA . PRO E 1 52 ? 22.537 19.011 36.729 1.00 122.94 ? 52 PRO E CA 1 ATOM 6574 C C . PRO E 1 52 ? 21.251 19.370 37.486 1.00 123.70 ? 52 PRO E C 1 ATOM 6575 O O . PRO E 1 52 ? 20.302 18.582 37.480 1.00 127.34 ? 52 PRO E O 1 ATOM 6576 C CB . PRO E 1 52 ? 23.256 17.855 37.451 1.00 130.29 ? 52 PRO E CB 1 ATOM 6577 C CG . PRO E 1 52 ? 24.705 18.227 37.473 1.00 128.84 ? 52 PRO E CG 1 ATOM 6578 C CD . PRO E 1 52 ? 24.729 19.717 37.514 1.00 122.53 ? 52 PRO E CD 1 ATOM 6579 N N . TRP E 1 53 ? 21.213 20.549 38.110 1.00 120.74 ? 53 TRP E N 1 ATOM 6580 C CA . TRP E 1 53 ? 20.206 20.833 39.138 1.00 123.24 ? 53 TRP E CA 1 ATOM 6581 C C . TRP E 1 53 ? 19.465 22.173 39.057 1.00 117.56 ? 53 TRP E C 1 ATOM 6582 O O . TRP E 1 53 ? 18.496 22.375 39.793 1.00 119.70 ? 53 TRP E O 1 ATOM 6583 C CB . TRP E 1 53 ? 20.841 20.698 40.529 1.00 128.80 ? 53 TRP E CB 1 ATOM 6584 C CG . TRP E 1 53 ? 21.926 21.692 40.778 1.00 126.50 ? 53 TRP E CG 1 ATOM 6585 C CD1 . TRP E 1 53 ? 23.254 21.539 40.505 1.00 126.91 ? 53 TRP E CD1 1 ATOM 6586 C CD2 . TRP E 1 53 ? 21.778 23.001 41.341 1.00 124.49 ? 53 TRP E CD2 1 ATOM 6587 N NE1 . TRP E 1 53 ? 23.944 22.671 40.864 1.00 124.48 ? 53 TRP E NE1 1 ATOM 6588 C CE2 . TRP E 1 53 ? 23.063 23.586 41.376 1.00 122.96 ? 53 TRP E CE2 1 ATOM 6589 C CE3 . TRP E 1 53 ? 20.686 23.738 41.818 1.00 124.19 ? 53 TRP E CE3 1 ATOM 6590 C CZ2 . TRP E 1 53 ? 23.288 24.876 41.871 1.00 120.72 ? 53 TRP E CZ2 1 ATOM 6591 C CZ3 . TRP E 1 53 ? 20.908 25.021 42.307 1.00 122.15 ? 53 TRP E CZ3 1 ATOM 6592 C CH2 . TRP E 1 53 ? 22.202 25.576 42.329 1.00 120.37 ? 53 TRP E CH2 1 ATOM 6593 N N . SER E 1 54 ? 19.901 23.078 38.181 1.00 110.88 ? 54 SER E N 1 ATOM 6594 C CA . SER E 1 54 ? 19.372 24.454 38.148 1.00 105.56 ? 54 SER E CA 1 ATOM 6595 C C . SER E 1 54 ? 17.902 24.601 37.694 1.00 103.80 ? 54 SER E C 1 ATOM 6596 O O . SER E 1 54 ? 17.498 25.657 37.189 1.00 98.46 ? 54 SER E O 1 ATOM 6597 C CB . SER E 1 54 ? 20.295 25.363 37.323 1.00 99.68 ? 54 SER E CB 1 ATOM 6598 N N A GLN E 1 55 ? 17.113 23.545 37.886 0.50 108.53 ? 55 GLN E N 1 ATOM 6599 N N B GLN E 1 55 ? 17.128 23.535 37.892 0.50 108.56 ? 55 GLN E N 1 ATOM 6600 C CA A GLN E 1 55 ? 15.684 23.566 37.567 0.50 108.05 ? 55 GLN E CA 1 ATOM 6601 C CA B GLN E 1 55 ? 15.695 23.503 37.607 0.50 108.36 ? 55 GLN E CA 1 ATOM 6602 C C A GLN E 1 55 ? 14.867 24.263 38.657 0.50 109.56 ? 55 GLN E C 1 ATOM 6603 C C B GLN E 1 55 ? 14.923 24.376 38.596 0.50 108.87 ? 55 GLN E C 1 ATOM 6604 O O A GLN E 1 55 ? 13.661 24.471 38.500 0.50 109.05 ? 55 GLN E O 1 ATOM 6605 O O B GLN E 1 55 ? 13.807 24.817 38.310 0.50 107.00 ? 55 GLN E O 1 ATOM 6606 C CB A GLN E 1 55 ? 15.162 22.146 37.328 0.50 113.07 ? 55 GLN E CB 1 ATOM 6607 C CB B GLN E 1 55 ? 15.189 22.062 37.707 0.50 114.54 ? 55 GLN E CB 1 ATOM 6608 C CG A GLN E 1 55 ? 15.121 21.270 38.571 0.50 120.71 ? 55 GLN E CG 1 ATOM 6609 C CG B GLN E 1 55 ? 13.927 21.765 36.914 0.50 113.83 ? 55 GLN E CG 1 ATOM 6610 C CD A GLN E 1 55 ? 13.999 21.650 39.517 0.50 123.12 ? 55 GLN E CD 1 ATOM 6611 C CD B GLN E 1 55 ? 14.213 21.024 35.622 0.50 112.45 ? 55 GLN E CD 1 ATOM 6612 O OE1 A GLN E 1 55 ? 13.243 22.585 39.258 0.50 119.24 ? 55 GLN E OE1 1 ATOM 6613 O OE1 B GLN E 1 55 ? 15.315 21.095 35.083 0.50 109.69 ? 55 GLN E OE1 1 ATOM 6614 N NE2 A GLN E 1 55 ? 13.884 20.922 40.621 0.50 130.16 ? 55 GLN E NE2 1 ATOM 6615 N NE2 B GLN E 1 55 ? 13.219 20.299 35.123 0.50 114.80 ? 55 GLN E NE2 1 ATOM 6616 N N . GLY E 1 56 ? 15.530 24.618 39.757 1.00 111.77 ? 56 GLY E N 1 ATOM 6617 C CA . GLY E 1 56 ? 14.897 25.359 40.845 1.00 113.64 ? 56 GLY E CA 1 ATOM 6618 C C . GLY E 1 56 ? 14.160 24.403 41.753 1.00 121.19 ? 56 GLY E C 1 ATOM 6619 O O . GLY E 1 56 ? 14.781 23.641 42.498 1.00 126.57 ? 56 GLY E O 1 ATOM 6620 N N . LYS E 1 57 ? 12.831 24.444 41.681 1.00 121.93 ? 57 LYS E N 1 ATOM 6621 C CA . LYS E 1 57 ? 11.981 23.503 42.411 1.00 129.31 ? 57 LYS E CA 1 ATOM 6622 C C . LYS E 1 57 ? 10.649 23.278 41.694 1.00 128.67 ? 57 LYS E C 1 ATOM 6623 O O . LYS E 1 57 ? 9.588 23.282 42.323 1.00 132.55 ? 57 LYS E O 1 ATOM 6624 C CB . LYS E 1 57 ? 11.753 23.974 43.855 1.00 133.89 ? 57 LYS E CB 1 ATOM 6625 N N . LEU E 1 58 ? 10.705 23.085 40.375 1.00 124.30 ? 58 LEU E N 1 ATOM 6626 C CA . LEU E 1 58 ? 9.497 22.777 39.602 1.00 124.04 ? 58 LEU E CA 1 ATOM 6627 C C . LEU E 1 58 ? 9.683 21.652 38.570 1.00 124.72 ? 58 LEU E C 1 ATOM 6628 O O . LEU E 1 58 ? 10.811 21.276 38.230 1.00 123.82 ? 58 LEU E O 1 ATOM 6629 C CB . LEU E 1 58 ? 8.888 24.042 38.973 1.00 117.52 ? 58 LEU E CB 1 ATOM 6630 C CG . LEU E 1 58 ? 7.351 24.076 38.867 1.00 118.98 ? 58 LEU E CG 1 ATOM 6631 C CD1 . LEU E 1 58 ? 6.674 23.851 40.220 1.00 125.50 ? 58 LEU E CD1 1 ATOM 6632 C CD2 . LEU E 1 58 ? 6.866 25.380 38.239 1.00 112.70 ? 58 LEU E CD2 1 ATOM 6633 N N . SER E 1 59 ? 8.552 21.145 38.079 1.00 126.51 ? 59 SER E N 1 ATOM 6634 C CA . SER E 1 59 ? 8.473 19.903 37.306 1.00 129.45 ? 59 SER E CA 1 ATOM 6635 C C . SER E 1 59 ? 9.313 19.828 36.029 1.00 124.71 ? 59 SER E C 1 ATOM 6636 O O . SER E 1 59 ? 9.717 20.848 35.462 1.00 117.97 ? 59 SER E O 1 ATOM 6637 C CB . SER E 1 59 ? 7.010 19.600 36.966 1.00 131.64 ? 59 SER E CB 1 ATOM 6638 N N . ASN E 1 60 ? 9.569 18.590 35.607 1.00 128.88 ? 60 ASN E N 1 ATOM 6639 C CA . ASN E 1 60 ? 10.128 18.271 34.297 1.00 126.00 ? 60 ASN E CA 1 ATOM 6640 C C . ASN E 1 60 ? 9.132 18.666 33.206 1.00 122.28 ? 60 ASN E C 1 ATOM 6641 O O . ASN E 1 60 ? 9.524 19.134 32.133 1.00 116.95 ? 60 ASN E O 1 ATOM 6642 C CB . ASN E 1 60 ? 10.436 16.765 34.233 1.00 132.91 ? 60 ASN E CB 1 ATOM 6643 C CG . ASN E 1 60 ? 11.148 16.351 32.951 1.00 131.08 ? 60 ASN E CG 1 ATOM 6644 O OD1 . ASN E 1 60 ? 10.589 16.433 31.855 1.00 129.04 ? 60 ASN E OD1 1 ATOM 6645 N ND2 . ASN E 1 60 ? 12.378 15.870 33.091 1.00 132.53 ? 60 ASN E ND2 1 ATOM 6646 N N . GLN E 1 61 ? 7.845 18.478 33.503 1.00 125.44 ? 61 GLN E N 1 ATOM 6647 C CA . GLN E 1 61 ? 6.750 18.901 32.632 1.00 122.59 ? 61 GLN E CA 1 ATOM 6648 C C . GLN E 1 61 ? 6.709 20.424 32.494 1.00 115.24 ? 61 GLN E C 1 ATOM 6649 O O . GLN E 1 61 ? 6.772 20.955 31.381 1.00 110.03 ? 61 GLN E O 1 ATOM 6650 C CB . GLN E 1 61 ? 5.414 18.385 33.178 1.00 128.40 ? 61 GLN E CB 1 ATOM 6651 C CG . GLN E 1 61 ? 4.172 18.932 32.469 1.00 125.91 ? 61 GLN E CG 1 ATOM 6652 C CD . GLN E 1 61 ? 2.900 18.788 33.295 1.00 131.15 ? 61 GLN E CD 1 ATOM 6653 O OE1 . GLN E 1 61 ? 2.879 18.110 34.324 1.00 137.45 ? 61 GLN E OE1 1 ATOM 6654 N NE2 . GLN E 1 61 ? 1.829 19.431 32.842 1.00 128.78 ? 61 GLN E NE2 1 ATOM 6655 N N . GLN E 1 62 ? 6.616 21.109 33.633 1.00 115.28 ? 62 GLN E N 1 ATOM 6656 C CA . GLN E 1 62 ? 6.456 22.565 33.678 1.00 109.43 ? 62 GLN E CA 1 ATOM 6657 C C . GLN E 1 62 ? 7.624 23.351 33.070 1.00 103.08 ? 62 GLN E C 1 ATOM 6658 O O . GLN E 1 62 ? 7.438 24.487 32.626 1.00 97.78 ? 62 GLN E O 1 ATOM 6659 C CB . GLN E 1 62 ? 6.186 23.026 35.115 1.00 112.06 ? 62 GLN E CB 1 ATOM 6660 N N . TRP E 1 63 ? 8.816 22.750 33.052 1.00 104.02 ? 63 TRP E N 1 ATOM 6661 C CA . TRP E 1 63 ? 9.991 23.374 32.432 1.00 98.67 ? 63 TRP E CA 1 ATOM 6662 C C . TRP E 1 63 ? 10.031 23.195 30.910 1.00 95.75 ? 63 TRP E C 1 ATOM 6663 O O . TRP E 1 63 ? 10.457 24.099 30.190 1.00 90.34 ? 63 TRP E O 1 ATOM 6664 C CB . TRP E 1 63 ? 11.300 22.878 33.065 1.00 100.98 ? 63 TRP E CB 1 ATOM 6665 C CG . TRP E 1 63 ? 12.523 23.472 32.407 1.00 96.35 ? 63 TRP E CG 1 ATOM 6666 C CD1 . TRP E 1 63 ? 13.061 24.711 32.634 1.00 91.94 ? 63 TRP E CD1 1 ATOM 6667 C CD2 . TRP E 1 63 ? 13.337 22.863 31.397 1.00 96.02 ? 63 TRP E CD2 1 ATOM 6668 N NE1 . TRP E 1 63 ? 14.162 24.906 31.833 1.00 88.71 ? 63 TRP E NE1 1 ATOM 6669 C CE2 . TRP E 1 63 ? 14.354 23.788 31.064 1.00 91.31 ? 63 TRP E CE2 1 ATOM 6670 C CE3 . TRP E 1 63 ? 13.306 21.624 30.740 1.00 99.64 ? 63 TRP E CE3 1 ATOM 6671 C CZ2 . TRP E 1 63 ? 15.334 23.510 30.105 1.00 90.22 ? 63 TRP E CZ2 1 ATOM 6672 C CZ3 . TRP E 1 63 ? 14.282 21.348 29.788 1.00 98.34 ? 63 TRP E CZ3 1 ATOM 6673 C CH2 . TRP E 1 63 ? 15.280 22.289 29.480 1.00 93.83 ? 63 TRP E CH2 1 ATOM 6674 N N . GLU E 1 64 ? 9.595 22.030 30.429 1.00 99.82 ? 64 GLU E N 1 ATOM 6675 C CA . GLU E 1 64 ? 9.548 21.743 28.992 1.00 98.17 ? 64 GLU E CA 1 ATOM 6676 C C . GLU E 1 64 ? 8.604 22.690 28.241 1.00 93.82 ? 64 GLU E C 1 ATOM 6677 O O . GLU E 1 64 ? 8.769 22.919 27.041 1.00 90.74 ? 64 GLU E O 1 ATOM 6678 C CB . GLU E 1 64 ? 9.148 20.285 28.745 1.00 104.45 ? 64 GLU E CB 1 ATOM 6679 N N . LYS E 1 65 ? 7.618 23.227 28.959 1.00 93.97 ? 65 LYS E N 1 ATOM 6680 C CA . LYS E 1 65 ? 6.711 24.239 28.423 1.00 90.08 ? 65 LYS E CA 1 ATOM 6681 C C . LYS E 1 65 ? 7.325 25.635 28.532 1.00 84.39 ? 65 LYS E C 1 ATOM 6682 O O . LYS E 1 65 ? 7.092 26.492 27.670 1.00 80.11 ? 65 LYS E O 1 ATOM 6683 C CB . LYS E 1 65 ? 5.361 24.199 29.144 1.00 93.23 ? 65 LYS E CB 1 ATOM 6684 N N . LEU E 1 66 ? 8.104 25.857 29.593 1.00 84.73 ? 66 LEU E N 1 ATOM 6685 C CA . LEU E 1 66 ? 8.818 27.121 29.784 1.00 79.99 ? 66 LEU E CA 1 ATOM 6686 C C . LEU E 1 66 ? 9.888 27.302 28.719 1.00 76.43 ? 66 LEU E C 1 ATOM 6687 O O . LEU E 1 66 ? 10.135 28.420 28.276 1.00 71.98 ? 66 LEU E O 1 ATOM 6688 C CB . LEU E 1 66 ? 9.444 27.206 31.176 1.00 82.02 ? 66 LEU E CB 1 ATOM 6689 N N . GLN E 1 67 ? 10.508 26.198 28.306 1.00 79.05 ? 67 GLN E N 1 ATOM 6690 C CA . GLN E 1 67 ? 11.513 26.218 27.244 1.00 76.62 ? 67 GLN E CA 1 ATOM 6691 C C . GLN E 1 67 ? 10.904 26.360 25.849 1.00 74.64 ? 67 GLN E C 1 ATOM 6692 O O . GLN E 1 67 ? 11.440 27.092 25.020 1.00 70.89 ? 67 GLN E O 1 ATOM 6693 C CB . GLN E 1 67 ? 12.404 24.972 27.300 1.00 80.64 ? 67 GLN E CB 1 ATOM 6694 C CG . GLN E 1 67 ? 13.299 24.800 26.075 1.00 79.24 ? 67 GLN E CG 1 ATOM 6695 C CD . GLN E 1 67 ? 14.092 23.514 26.098 1.00 84.22 ? 67 GLN E CD 1 ATOM 6696 O OE1 . GLN E 1 67 ? 15.195 23.463 26.641 1.00 85.17 ? 67 GLN E OE1 1 ATOM 6697 N NE2 . GLN E 1 67 ? 13.545 22.468 25.487 1.00 87.95 ? 67 GLN E NE2 1 ATOM 6698 N N . HIS E 1 68 ? 9.802 25.658 25.584 1.00 77.71 ? 68 HIS E N 1 ATOM 6699 C CA . HIS E 1 68 ? 9.230 25.640 24.232 1.00 76.79 ? 68 HIS E CA 1 ATOM 6700 C C . HIS E 1 68 ? 8.837 27.020 23.730 1.00 71.69 ? 68 HIS E C 1 ATOM 6701 O O . HIS E 1 68 ? 8.933 27.296 22.533 1.00 69.66 ? 68 HIS E O 1 ATOM 6702 C CB . HIS E 1 68 ? 8.042 24.685 24.110 1.00 81.39 ? 68 HIS E CB 1 ATOM 6703 C CG . HIS E 1 68 ? 7.471 24.623 22.725 1.00 81.45 ? 68 HIS E CG 1 ATOM 6704 N ND1 . HIS E 1 68 ? 6.249 25.171 22.396 1.00 80.84 ? 68 HIS E ND1 1 ATOM 6705 C CD2 . HIS E 1 68 ? 7.975 24.110 21.577 1.00 82.57 ? 68 HIS E CD2 1 ATOM 6706 C CE1 . HIS E 1 68 ? 6.016 24.980 21.109 1.00 81.14 ? 68 HIS E CE1 1 ATOM 6707 N NE2 . HIS E 1 68 ? 7.048 24.339 20.589 1.00 82.49 ? 68 HIS E NE2 1 ATOM 6708 N N . MET E 1 69 ? 8.395 27.880 24.643 1.00 70.13 ? 69 MET E N 1 ATOM 6709 C CA . MET E 1 69 ? 8.056 29.250 24.279 1.00 65.70 ? 69 MET E CA 1 ATOM 6710 C C . MET E 1 69 ? 9.305 30.092 23.984 1.00 61.58 ? 69 MET E C 1 ATOM 6711 O O . MET E 1 69 ? 9.228 31.041 23.207 1.00 58.35 ? 69 MET E O 1 ATOM 6712 C CB . MET E 1 69 ? 7.145 29.916 25.322 1.00 65.93 ? 69 MET E CB 1 ATOM 6713 C CG . MET E 1 69 ? 7.761 30.126 26.698 1.00 67.32 ? 69 MET E CG 1 ATOM 6714 S SD . MET E 1 69 ? 7.319 31.732 27.398 1.00 65.75 ? 69 MET E SD 1 ATOM 6715 C CE . MET E 1 69 ? 8.573 32.781 26.670 1.00 59.77 ? 69 MET E CE 1 ATOM 6716 N N . PHE E 1 70 ? 10.440 29.741 24.595 1.00 62.10 ? 70 PHE E N 1 ATOM 6717 C CA . PHE E 1 70 ? 11.720 30.376 24.266 1.00 58.85 ? 70 PHE E CA 1 ATOM 6718 C C . PHE E 1 70 ? 12.175 29.967 22.873 1.00 58.45 ? 70 PHE E C 1 ATOM 6719 O O . PHE E 1 70 ? 12.680 30.796 22.116 1.00 55.50 ? 70 PHE E O 1 ATOM 6720 C CB . PHE E 1 70 ? 12.815 30.036 25.286 1.00 60.33 ? 70 PHE E CB 1 ATOM 6721 C CG . PHE E 1 70 ? 12.727 30.821 26.564 1.00 59.76 ? 70 PHE E CG 1 ATOM 6722 C CD1 . PHE E 1 70 ? 12.865 32.204 26.561 1.00 56.28 ? 70 PHE E CD1 1 ATOM 6723 C CD2 . PHE E 1 70 ? 12.525 30.173 27.776 1.00 63.58 ? 70 PHE E CD2 1 ATOM 6724 C CE1 . PHE E 1 70 ? 12.785 32.932 27.745 1.00 56.52 ? 70 PHE E CE1 1 ATOM 6725 C CE2 . PHE E 1 70 ? 12.442 30.889 28.967 1.00 63.69 ? 70 PHE E CE2 1 ATOM 6726 C CZ . PHE E 1 70 ? 12.572 32.272 28.952 1.00 60.37 ? 70 PHE E CZ 1 ATOM 6727 N N . GLN E 1 71 ? 11.992 28.688 22.547 1.00 61.94 ? 71 GLN E N 1 ATOM 6728 C CA . GLN E 1 71 ? 12.333 28.153 21.229 1.00 62.66 ? 71 GLN E CA 1 ATOM 6729 C C . GLN E 1 71 ? 11.557 28.873 20.132 1.00 60.35 ? 71 GLN E C 1 ATOM 6730 O O . GLN E 1 71 ? 12.113 29.198 19.080 1.00 59.05 ? 71 GLN E O 1 ATOM 6731 C CB . GLN E 1 71 ? 12.065 26.648 21.169 1.00 67.74 ? 71 GLN E CB 1 ATOM 6732 C CG . GLN E 1 71 ? 13.061 25.811 21.964 1.00 70.84 ? 71 GLN E CG 1 ATOM 6733 C CD . GLN E 1 71 ? 12.630 24.364 22.121 1.00 76.55 ? 71 GLN E CD 1 ATOM 6734 O OE1 . GLN E 1 71 ? 11.467 24.075 22.401 1.00 78.76 ? 71 GLN E OE1 1 ATOM 6735 N NE2 . GLN E 1 71 ? 13.573 23.446 21.949 1.00 79.63 ? 71 GLN E NE2 1 ATOM 6736 N N . VAL E 1 72 ? 10.274 29.117 20.399 1.00 60.25 ? 72 VAL E N 1 ATOM 6737 C CA . VAL E 1 72 ? 9.407 29.917 19.538 1.00 57.93 ? 72 VAL E CA 1 ATOM 6738 C C . VAL E 1 72 ? 9.889 31.376 19.504 1.00 53.43 ? 72 VAL E C 1 ATOM 6739 O O . VAL E 1 72 ? 9.941 31.998 18.438 1.00 51.55 ? 72 VAL E O 1 ATOM 6740 C CB . VAL E 1 72 ? 7.925 29.831 20.017 1.00 59.37 ? 72 VAL E CB 1 ATOM 6741 C CG1 . VAL E 1 72 ? 7.068 30.936 19.413 1.00 56.59 ? 72 VAL E CG1 1 ATOM 6742 C CG2 . VAL E 1 72 ? 7.339 28.470 19.690 1.00 64.08 ? 72 VAL E CG2 1 ATOM 6743 N N . TYR E 1 73 ? 10.258 31.896 20.675 1.00 52.02 ? 73 TYR E N 1 ATOM 6744 C CA . TYR E 1 73 ? 10.665 33.288 20.830 1.00 48.19 ? 73 TYR E CA 1 ATOM 6745 C C . TYR E 1 73 ? 11.906 33.637 20.015 1.00 46.44 ? 73 TYR E C 1 ATOM 6746 O O . TYR E 1 73 ? 11.921 34.647 19.314 1.00 44.07 ? 73 TYR E O 1 ATOM 6747 C CB . TYR E 1 73 ? 10.872 33.629 22.311 1.00 48.10 ? 73 TYR E CB 1 ATOM 6748 C CG . TYR E 1 73 ? 11.774 34.816 22.554 1.00 45.47 ? 73 TYR E CG 1 ATOM 6749 C CD1 . TYR E 1 73 ? 11.317 36.120 22.367 1.00 42.69 ? 73 TYR E CD1 1 ATOM 6750 C CD2 . TYR E 1 73 ? 13.092 34.634 22.969 1.00 45.89 ? 73 TYR E CD2 1 ATOM 6751 C CE1 . TYR E 1 73 ? 12.149 37.210 22.586 1.00 40.57 ? 73 TYR E CE1 1 ATOM 6752 C CE2 . TYR E 1 73 ? 13.930 35.715 23.189 1.00 43.57 ? 73 TYR E CE2 1 ATOM 6753 C CZ . TYR E 1 73 ? 13.455 37.000 22.998 1.00 41.07 ? 73 TYR E CZ 1 ATOM 6754 O OH . TYR E 1 73 ? 14.291 38.072 23.221 1.00 39.30 ? 73 TYR E OH 1 ATOM 6755 N N . ARG E 1 74 ? 12.935 32.799 20.110 1.00 47.93 ? 74 ARG E N 1 ATOM 6756 C CA . ARG E 1 74 ? 14.210 33.052 19.436 1.00 46.72 ? 74 ARG E CA 1 ATOM 6757 C C . ARG E 1 74 ? 14.067 33.145 17.910 1.00 46.38 ? 74 ARG E C 1 ATOM 6758 O O . ARG E 1 74 ? 14.634 34.044 17.283 1.00 44.37 ? 74 ARG E O 1 ATOM 6759 C CB . ARG E 1 74 ? 15.240 31.987 19.822 1.00 49.20 ? 74 ARG E CB 1 ATOM 6760 C CG . ARG E 1 74 ? 16.645 32.291 19.351 1.00 48.35 ? 74 ARG E CG 1 ATOM 6761 C CD . ARG E 1 74 ? 17.633 31.252 19.828 1.00 51.37 ? 74 ARG E CD 1 ATOM 6762 N NE . ARG E 1 74 ? 17.468 29.971 19.148 1.00 54.55 ? 74 ARG E NE 1 ATOM 6763 C CZ . ARG E 1 74 ? 18.369 28.994 19.170 1.00 57.66 ? 74 ARG E CZ 1 ATOM 6764 N NH1 . ARG E 1 74 ? 19.509 29.148 19.833 1.00 57.30 ? 74 ARG E NH1 1 ATOM 6765 N NH2 . ARG E 1 74 ? 18.132 27.864 18.522 1.00 61.30 ? 74 ARG E NH2 1 ATOM 6766 N N . VAL E 1 75 ? 13.308 32.216 17.330 1.00 48.66 ? 75 VAL E N 1 ATOM 6767 C CA . VAL E 1 75 ? 13.041 32.197 15.890 1.00 49.04 ? 75 VAL E CA 1 ATOM 6768 C C . VAL E 1 75 ? 12.247 33.438 15.483 1.00 46.28 ? 75 VAL E C 1 ATOM 6769 O O . VAL E 1 75 ? 12.542 34.072 14.465 1.00 45.21 ? 75 VAL E O 1 ATOM 6770 C CB . VAL E 1 75 ? 12.278 30.909 15.466 1.00 52.79 ? 75 VAL E CB 1 ATOM 6771 C CG1 . VAL E 1 75 ? 11.997 30.902 13.973 1.00 53.67 ? 75 VAL E CG1 1 ATOM 6772 C CG2 . VAL E 1 75 ? 13.068 29.668 15.850 1.00 56.02 ? 75 VAL E CG2 1 ATOM 6773 N N . SER E 1 76 ? 11.255 33.782 16.302 1.00 45.39 ? 76 SER E N 1 ATOM 6774 C CA . SER E 1 76 ? 10.377 34.918 16.046 1.00 43.24 ? 76 SER E CA 1 ATOM 6775 C C . SER E 1 76 ? 11.081 36.257 16.237 1.00 40.14 ? 76 SER E C 1 ATOM 6776 O O . SER E 1 76 ? 10.904 37.171 15.426 1.00 38.86 ? 76 SER E O 1 ATOM 6777 C CB . SER E 1 76 ? 9.131 34.837 16.926 1.00 43.83 ? 76 SER E CB 1 ATOM 6778 O OG . SER E 1 76 ? 8.266 33.800 16.493 1.00 46.84 ? 76 SER E OG 1 ATOM 6779 N N . PHE E 1 77 ? 11.877 36.360 17.304 1.00 39.31 ? 77 PHE E N 1 ATOM 6780 C CA . PHE E 1 77 ? 12.679 37.551 17.590 1.00 36.70 ? 77 PHE E CA 1 ATOM 6781 C C . PHE E 1 77 ? 13.571 37.920 16.407 1.00 36.31 ? 77 PHE E C 1 ATOM 6782 O O . PHE E 1 77 ? 13.659 39.093 16.034 1.00 34.71 ? 77 PHE E O 1 ATOM 6783 C CB . PHE E 1 77 ? 13.528 37.347 18.854 1.00 36.74 ? 77 PHE E CB 1 ATOM 6784 C CG . PHE E 1 77 ? 14.500 38.464 19.122 1.00 34.43 ? 77 PHE E CG 1 ATOM 6785 C CD1 . PHE E 1 77 ? 15.813 38.386 18.670 1.00 33.64 ? 77 PHE E CD1 1 ATOM 6786 C CD2 . PHE E 1 77 ? 14.099 39.599 19.824 1.00 32.91 ? 77 PHE E CD2 1 ATOM 6787 C CE1 . PHE E 1 77 ? 16.712 39.422 18.903 1.00 32.12 ? 77 PHE E CE1 1 ATOM 6788 C CE2 . PHE E 1 77 ? 14.995 40.642 20.069 1.00 31.25 ? 77 PHE E CE2 1 ATOM 6789 C CZ . PHE E 1 77 ? 16.304 40.550 19.607 1.00 30.87 ? 77 PHE E CZ 1 ATOM 6790 N N . THR E 1 78 ? 14.228 36.912 15.833 1.00 38.17 ? 78 THR E N 1 ATOM 6791 C CA . THR E 1 78 ? 15.101 37.092 14.676 1.00 38.43 ? 78 THR E CA 1 ATOM 6792 C C . THR E 1 78 ? 14.341 37.728 13.509 1.00 38.33 ? 78 THR E C 1 ATOM 6793 O O . THR E 1 78 ? 14.791 38.731 12.957 1.00 37.37 ? 78 THR E O 1 ATOM 6794 C CB . THR E 1 78 ? 15.741 35.753 14.227 1.00 41.23 ? 78 THR E CB 1 ATOM 6795 O OG1 . THR E 1 78 ? 16.395 35.133 15.339 1.00 41.40 ? 78 THR E OG1 1 ATOM 6796 C CG2 . THR E 1 78 ? 16.759 35.976 13.116 1.00 41.74 ? 78 THR E CG2 1 ATOM 6797 N N . ARG E 1 79 ? 13.189 37.158 13.154 1.00 39.70 ? 79 ARG E N 1 ATOM 6798 C CA . ARG E 1 79 ? 12.397 37.663 12.034 1.00 40.08 ? 79 ARG E CA 1 ATOM 6799 C C . ARG E 1 79 ? 11.819 39.040 12.325 1.00 37.92 ? 79 ARG E C 1 ATOM 6800 O O . ARG E 1 79 ? 11.762 39.889 11.438 1.00 37.64 ? 79 ARG E O 1 ATOM 6801 C CB . ARG E 1 79 ? 11.276 36.695 11.658 1.00 42.35 ? 79 ARG E CB 1 ATOM 6802 C CG . ARG E 1 79 ? 10.731 36.918 10.252 1.00 43.54 ? 79 ARG E CG 1 ATOM 6803 C CD . ARG E 1 79 ? 9.494 36.087 9.975 1.00 45.93 ? 79 ARG E CD 1 ATOM 6804 N NE . ARG E 1 79 ? 8.310 36.612 10.652 1.00 44.58 ? 79 ARG E NE 1 ATOM 6805 C CZ . ARG E 1 79 ? 7.061 36.218 10.408 1.00 45.97 ? 79 ARG E CZ 1 ATOM 6806 N NH1 . ARG E 1 79 ? 6.813 35.291 9.492 1.00 48.91 ? 79 ARG E NH1 1 ATOM 6807 N NH2 . ARG E 1 79 ? 6.055 36.759 11.079 1.00 44.52 ? 79 ARG E NH2 1 ATOM 6808 N N . ASP E 1 80 ? 11.396 39.258 13.566 1.00 36.93 ? 80 ASP E N 1 ATOM 6809 C CA . ASP E 1 80 ? 10.818 40.543 13.962 1.00 35.51 ? 80 ASP E CA 1 ATOM 6810 C C . ASP E 1 80 ? 11.821 41.693 13.843 1.00 33.95 ? 80 ASP E C 1 ATOM 6811 O O . ASP E 1 80 ? 11.481 42.764 13.339 1.00 33.42 ? 80 ASP E O 1 ATOM 6812 C CB . ASP E 1 80 ? 10.194 40.469 15.367 1.00 35.18 ? 80 ASP E CB 1 ATOM 6813 C CG . ASP E 1 80 ? 8.778 39.881 15.352 1.00 37.61 ? 80 ASP E CG 1 ATOM 6814 O OD1 . ASP E 1 80 ? 8.395 39.227 14.353 1.00 40.38 ? 80 ASP E OD1 1 ATOM 6815 O OD2 . ASP E 1 80 ? 8.037 40.077 16.339 1.00 38.24 ? 80 ASP E OD2 1 ATOM 6816 N N . ILE E 1 81 ? 13.054 41.457 14.283 1.00 33.67 ? 81 ILE E N 1 ATOM 6817 C CA . ILE E 1 81 ? 14.116 42.446 14.137 1.00 32.72 ? 81 ILE E CA 1 ATOM 6818 C C . ILE E 1 81 ? 14.370 42.730 12.657 1.00 33.84 ? 81 ILE E C 1 ATOM 6819 O O . ILE E 1 81 ? 14.401 43.891 12.240 1.00 33.56 ? 81 ILE E O 1 ATOM 6820 C CB . ILE E 1 81 ? 15.427 42.009 14.848 1.00 32.68 ? 81 ILE E CB 1 ATOM 6821 C CG1 . ILE E 1 81 ? 15.232 41.947 16.370 1.00 31.65 ? 81 ILE E CG1 1 ATOM 6822 C CG2 . ILE E 1 81 ? 16.582 42.938 14.487 1.00 32.29 ? 81 ILE E CG2 1 ATOM 6823 C CD1 . ILE E 1 81 ? 14.921 43.282 17.045 1.00 29.59 ? 81 ILE E CD1 1 ATOM 6824 N N . GLN E 1 82 ? 14.521 41.668 11.871 1.00 35.60 ? 82 GLN E N 1 ATOM 6825 C CA . GLN E 1 82 ? 14.785 41.790 10.440 1.00 37.32 ? 82 GLN E CA 1 ATOM 6826 C C . GLN E 1 82 ? 13.701 42.576 9.690 1.00 37.38 ? 82 GLN E C 1 ATOM 6827 O O . GLN E 1 82 ? 14.001 43.252 8.710 1.00 38.52 ? 82 GLN E O 1 ATOM 6828 C CB . GLN E 1 82 ? 15.000 40.413 9.813 1.00 39.83 ? 82 GLN E CB 1 ATOM 6829 C CG . GLN E 1 82 ? 16.342 39.783 10.168 1.00 41.25 ? 82 GLN E CG 1 ATOM 6830 C CD . GLN E 1 82 ? 16.470 38.334 9.714 1.00 45.32 ? 82 GLN E CD 1 ATOM 6831 O OE1 . GLN E 1 82 ? 15.481 37.682 9.369 1.00 47.32 ? 82 GLN E OE1 1 ATOM 6832 N NE2 . GLN E 1 82 ? 17.698 37.822 9.721 1.00 46.92 ? 82 GLN E NE2 1 ATOM 6833 N N . GLU E 1 83 ? 12.455 42.489 10.154 1.00 36.58 ? 83 GLU E N 1 ATOM 6834 C CA . GLU E 1 83 ? 11.360 43.266 9.568 1.00 36.68 ? 83 GLU E CA 1 ATOM 6835 C C . GLU E 1 83 ? 11.424 44.732 9.982 1.00 35.21 ? 83 GLU E C 1 ATOM 6836 O O . GLU E 1 83 ? 11.114 45.623 9.188 1.00 35.95 ? 83 GLU E O 1 ATOM 6837 C CB . GLU E 1 83 ? 9.991 42.675 9.926 1.00 36.78 ? 83 GLU E CB 1 ATOM 6838 C CG . GLU E 1 83 ? 9.637 41.385 9.184 1.00 38.80 ? 83 GLU E CG 1 ATOM 6839 C CD . GLU E 1 83 ? 9.745 41.501 7.669 1.00 40.00 ? 83 GLU E CD 1 ATOM 6840 O OE1 . GLU E 1 83 ? 10.407 40.639 7.062 1.00 42.18 ? 83 GLU E OE1 1 ATOM 6841 O OE2 . GLU E 1 83 ? 9.178 42.444 7.084 1.00 39.22 ? 83 GLU E OE2 1 ATOM 6842 N N . LEU E 1 84 ? 11.828 44.974 11.225 1.00 33.57 ? 84 LEU E N 1 ATOM 6843 C CA . LEU E 1 84 ? 11.998 46.333 11.731 1.00 32.59 ? 84 LEU E CA 1 ATOM 6844 C C . LEU E 1 84 ? 13.123 47.094 11.020 1.00 33.36 ? 84 LEU E C 1 ATOM 6845 O O . LEU E 1 84 ? 13.056 48.315 10.892 1.00 33.61 ? 84 LEU E O 1 ATOM 6846 C CB . LEU E 1 84 ? 12.213 46.328 13.249 1.00 31.16 ? 84 LEU E CB 1 ATOM 6847 C CG . LEU E 1 84 ? 11.012 45.887 14.100 1.00 30.80 ? 84 LEU E CG 1 ATOM 6848 C CD1 . LEU E 1 84 ? 11.442 45.580 15.527 1.00 29.69 ? 84 LEU E CD1 1 ATOM 6849 C CD2 . LEU E 1 84 ? 9.880 46.914 14.079 1.00 30.45 ? 84 LEU E CD2 1 ATOM 6850 N N . VAL E 1 85 ? 14.146 46.379 10.557 1.00 34.26 ? 85 VAL E N 1 ATOM 6851 C CA . VAL E 1 85 ? 15.185 46.989 9.724 1.00 35.59 ? 85 VAL E CA 1 ATOM 6852 C C . VAL E 1 85 ? 14.577 47.416 8.389 1.00 37.57 ? 85 VAL E C 1 ATOM 6853 O O . VAL E 1 85 ? 14.817 48.526 7.918 1.00 38.47 ? 85 VAL E O 1 ATOM 6854 C CB . VAL E 1 85 ? 16.386 46.043 9.488 1.00 36.57 ? 85 VAL E CB 1 ATOM 6855 C CG1 . VAL E 1 85 ? 17.472 46.743 8.695 1.00 37.79 ? 85 VAL E CG1 1 ATOM 6856 C CG2 . VAL E 1 85 ? 16.945 45.551 10.812 1.00 35.31 ? 85 VAL E CG2 1 ATOM 6857 N N . LYS E 1 86 ? 13.776 46.535 7.797 1.00 38.75 ? 86 LYS E N 1 ATOM 6858 C CA . LYS E 1 86 ? 13.052 46.846 6.567 1.00 41.10 ? 86 LYS E CA 1 ATOM 6859 C C . LYS E 1 86 ? 12.134 48.047 6.779 1.00 40.69 ? 86 LYS E C 1 ATOM 6860 O O . LYS E 1 86 ? 11.867 48.814 5.849 1.00 42.57 ? 86 LYS E O 1 ATOM 6861 C CB . LYS E 1 86 ? 12.230 45.640 6.101 1.00 42.16 ? 86 LYS E CB 1 ATOM 6862 C CG . LYS E 1 86 ? 13.050 44.450 5.648 1.00 43.47 ? 86 LYS E CG 1 ATOM 6863 C CD . LYS E 1 86 ? 12.160 43.254 5.349 1.00 44.62 ? 86 LYS E CD 1 ATOM 6864 C CE . LYS E 1 86 ? 12.971 42.047 4.901 1.00 46.51 ? 86 LYS E CE 1 ATOM 6865 N NZ . LYS E 1 86 ? 12.100 40.905 4.521 1.00 48.31 ? 86 LYS E NZ 1 ATOM 6866 N N . MET E 1 87 ? 11.668 48.204 8.015 1.00 38.75 ? 87 MET E N 1 ATOM 6867 C CA . MET E 1 87 ? 10.730 49.257 8.371 1.00 38.64 ? 87 MET E CA 1 ATOM 6868 C C . MET E 1 87 ? 11.424 50.600 8.587 1.00 38.83 ? 87 MET E C 1 ATOM 6869 O O . MET E 1 87 ? 10.829 51.651 8.364 1.00 39.59 ? 87 MET E O 1 ATOM 6870 C CB . MET E 1 87 ? 9.956 48.855 9.624 1.00 36.79 ? 87 MET E CB 1 ATOM 6871 C CG . MET E 1 87 ? 8.633 49.557 9.782 1.00 37.72 ? 87 MET E CG 1 ATOM 6872 S SD . MET E 1 87 ? 7.812 49.211 11.349 1.00 37.74 ? 87 MET E SD 1 ATOM 6873 C CE . MET E 1 87 ? 6.169 49.822 10.958 1.00 40.11 ? 87 MET E CE 1 ATOM 6874 N N . MET E 1 88 ? 12.682 50.558 9.018 1.00 38.69 ? 88 MET E N 1 ATOM 6875 C CA . MET E 1 88 ? 13.428 51.775 9.333 1.00 39.41 ? 88 MET E CA 1 ATOM 6876 C C . MET E 1 88 ? 14.392 52.219 8.235 1.00 42.18 ? 88 MET E C 1 ATOM 6877 O O . MET E 1 88 ? 14.772 53.397 8.183 1.00 43.53 ? 88 MET E O 1 ATOM 6878 C CB . MET E 1 88 ? 14.160 51.633 10.667 1.00 37.64 ? 88 MET E CB 1 ATOM 6879 C CG . MET E 1 88 ? 13.225 51.474 11.843 1.00 36.22 ? 88 MET E CG 1 ATOM 6880 S SD . MET E 1 88 ? 11.973 52.769 11.890 1.00 38.07 ? 88 MET E SD 1 ATOM 6881 C CE . MET E 1 88 ? 10.522 51.755 12.086 1.00 37.14 ? 88 MET E CE 1 ATOM 6882 N N . SER E 1 89 ? 14.781 51.285 7.365 1.00 43.69 ? 89 SER E N 1 ATOM 6883 C CA . SER E 1 89 ? 15.612 51.602 6.201 1.00 46.87 ? 89 SER E CA 1 ATOM 6884 C C . SER E 1 89 ? 15.003 52.759 5.411 1.00 49.17 ? 89 SER E C 1 ATOM 6885 O O . SER E 1 89 ? 13.778 52.860 5.320 1.00 49.02 ? 89 SER E O 1 ATOM 6886 C CB . SER E 1 89 ? 15.790 50.374 5.304 1.00 48.33 ? 89 SER E CB 1 ATOM 6887 O OG . SER E 1 89 ? 16.817 49.532 5.806 1.00 47.89 ? 89 SER E OG 1 ATOM 6888 N N . PRO E 1 90 ? 15.852 53.644 4.851 1.00 51.85 ? 90 PRO E N 1 ATOM 6889 C CA . PRO E 1 90 ? 17.316 53.584 4.875 1.00 52.90 ? 90 PRO E CA 1 ATOM 6890 C C . PRO E 1 90 ? 17.949 54.333 6.053 1.00 51.77 ? 90 PRO E C 1 ATOM 6891 O O . PRO E 1 90 ? 19.176 54.462 6.110 1.00 52.96 ? 90 PRO E O 1 ATOM 6892 C CB . PRO E 1 90 ? 17.701 54.259 3.561 1.00 57.03 ? 90 PRO E CB 1 ATOM 6893 C CG . PRO E 1 90 ? 16.591 55.263 3.317 1.00 57.96 ? 90 PRO E CG 1 ATOM 6894 C CD . PRO E 1 90 ? 15.374 54.826 4.108 1.00 54.43 ? 90 PRO E CD 1 ATOM 6895 N N . LYS E 1 91 ? 17.118 54.812 6.979 1.00 50.00 ? 91 LYS E N 1 ATOM 6896 C CA . LYS E 1 91 ? 17.581 55.615 8.113 1.00 49.45 ? 91 LYS E CA 1 ATOM 6897 C C . LYS E 1 91 ? 18.529 54.841 9.035 1.00 47.83 ? 91 LYS E C 1 ATOM 6898 O O . LYS E 1 91 ? 19.512 55.397 9.535 1.00 48.72 ? 91 LYS E O 1 ATOM 6899 C CB . LYS E 1 91 ? 16.389 56.164 8.906 1.00 48.13 ? 91 LYS E CB 1 ATOM 6900 N N . GLU E 1 92 ? 18.226 53.562 9.249 1.00 45.91 ? 92 GLU E N 1 ATOM 6901 C CA . GLU E 1 92 ? 19.054 52.684 10.070 1.00 44.61 ? 92 GLU E CA 1 ATOM 6902 C C . GLU E 1 92 ? 19.313 51.362 9.342 1.00 44.84 ? 92 GLU E C 1 ATOM 6903 O O . GLU E 1 92 ? 18.430 50.858 8.632 1.00 45.24 ? 92 GLU E O 1 ATOM 6904 C CB . GLU E 1 92 ? 18.382 52.434 11.422 1.00 42.33 ? 92 GLU E CB 1 ATOM 6905 C CG . GLU E 1 92 ? 18.295 53.666 12.326 1.00 43.29 ? 92 GLU E CG 1 ATOM 6906 C CD . GLU E 1 92 ? 19.660 54.136 12.834 1.00 45.64 ? 92 GLU E CD 1 ATOM 6907 O OE1 . GLU E 1 92 ? 20.340 53.360 13.552 1.00 44.84 ? 92 GLU E OE1 1 ATOM 6908 O OE2 . GLU E 1 92 ? 20.044 55.287 12.521 1.00 47.80 ? 92 GLU E OE2 1 ATOM 6909 N N . ASP E 1 93 ? 20.519 50.813 9.518 1.00 44.86 ? 93 ASP E N 1 ATOM 6910 C CA . ASP E 1 93 ? 20.955 49.617 8.787 1.00 45.48 ? 93 ASP E CA 1 ATOM 6911 C C . ASP E 1 93 ? 21.964 48.754 9.565 1.00 44.58 ? 93 ASP E C 1 ATOM 6912 O O . ASP E 1 93 ? 22.468 49.154 10.623 1.00 43.47 ? 93 ASP E O 1 ATOM 6913 C CB . ASP E 1 93 ? 21.548 50.022 7.429 1.00 48.93 ? 93 ASP E CB 1 ATOM 6914 C CG . ASP E 1 93 ? 21.432 48.918 6.376 1.00 51.17 ? 93 ASP E CG 1 ATOM 6915 O OD1 . ASP E 1 93 ? 20.323 48.361 6.198 1.00 50.98 ? 93 ASP E OD1 1 ATOM 6916 O OD2 . ASP E 1 93 ? 22.451 48.621 5.711 1.00 53.75 ? 93 ASP E OD2 1 ATOM 6917 N N . TYR E 1 94 ? 22.241 47.567 9.023 1.00 45.09 ? 94 TYR E N 1 ATOM 6918 C CA . TYR E 1 94 ? 23.234 46.633 9.563 1.00 44.72 ? 94 TYR E CA 1 ATOM 6919 C C . TYR E 1 94 ? 24.663 47.203 9.480 1.00 46.30 ? 94 TYR E C 1 ATOM 6920 O O . TYR E 1 94 ? 24.919 48.106 8.679 1.00 48.03 ? 94 TYR E O 1 ATOM 6921 C CB . TYR E 1 94 ? 23.149 45.296 8.811 1.00 46.08 ? 94 TYR E CB 1 ATOM 6922 C CG . TYR E 1 94 ? 21.773 44.658 8.828 1.00 44.69 ? 94 TYR E CG 1 ATOM 6923 C CD1 . TYR E 1 94 ? 20.947 44.695 7.702 1.00 45.42 ? 94 TYR E CD1 1 ATOM 6924 C CD2 . TYR E 1 94 ? 21.296 44.015 9.971 1.00 42.63 ? 94 TYR E CD2 1 ATOM 6925 C CE1 . TYR E 1 94 ? 19.685 44.107 7.717 1.00 44.27 ? 94 TYR E CE1 1 ATOM 6926 C CE2 . TYR E 1 94 ? 20.034 43.431 9.996 1.00 41.48 ? 94 TYR E CE2 1 ATOM 6927 C CZ . TYR E 1 94 ? 19.236 43.479 8.871 1.00 42.49 ? 94 TYR E CZ 1 ATOM 6928 O OH . TYR E 1 94 ? 17.991 42.895 8.913 1.00 42.11 ? 94 TYR E OH 1 ATOM 6929 N N . PRO E 1 95 ? 25.601 46.685 10.306 1.00 45.91 ? 95 PRO E N 1 ATOM 6930 C CA . PRO E 1 95 ? 25.470 45.627 11.319 1.00 44.11 ? 95 PRO E CA 1 ATOM 6931 C C . PRO E 1 95 ? 24.715 46.077 12.565 1.00 41.27 ? 95 PRO E C 1 ATOM 6932 O O . PRO E 1 95 ? 24.803 47.241 12.951 1.00 41.00 ? 95 PRO E O 1 ATOM 6933 C CB . PRO E 1 95 ? 26.923 45.301 11.672 1.00 45.68 ? 95 PRO E CB 1 ATOM 6934 C CG . PRO E 1 95 ? 27.666 46.547 11.385 1.00 47.07 ? 95 PRO E CG 1 ATOM 6935 C CD . PRO E 1 95 ? 26.998 47.140 10.182 1.00 48.07 ? 95 PRO E CD 1 ATOM 6936 N N . ILE E 1 96 ? 23.983 45.152 13.180 1.00 39.74 ? 96 ILE E N 1 ATOM 6937 C CA . ILE E 1 96 ? 23.156 45.451 14.352 1.00 37.40 ? 96 ILE E CA 1 ATOM 6938 C C . ILE E 1 96 ? 23.469 44.517 15.524 1.00 36.96 ? 96 ILE E C 1 ATOM 6939 O O . ILE E 1 96 ? 23.567 43.299 15.352 1.00 37.57 ? 96 ILE E O 1 ATOM 6940 C CB . ILE E 1 96 ? 21.645 45.413 13.993 1.00 36.26 ? 96 ILE E CB 1 ATOM 6941 C CG1 . ILE E 1 96 ? 21.240 46.706 13.287 1.00 36.44 ? 96 ILE E CG1 1 ATOM 6942 C CG2 . ILE E 1 96 ? 20.785 45.226 15.229 1.00 34.54 ? 96 ILE E CG2 1 ATOM 6943 C CD1 . ILE E 1 96 ? 19.818 46.709 12.770 1.00 36.21 ? 96 ILE E CD1 1 ATOM 6944 N N . GLU E 1 97 ? 23.636 45.105 16.707 1.00 36.21 ? 97 GLU E N 1 ATOM 6945 C CA . GLU E 1 97 ? 23.882 44.344 17.929 1.00 36.39 ? 97 GLU E CA 1 ATOM 6946 C C . GLU E 1 97 ? 22.813 44.662 18.962 1.00 34.99 ? 97 GLU E C 1 ATOM 6947 O O . GLU E 1 97 ? 22.734 45.794 19.442 1.00 34.94 ? 97 GLU E O 1 ATOM 6948 C CB . GLU E 1 97 ? 25.266 44.669 18.515 1.00 37.72 ? 97 GLU E CB 1 ATOM 6949 C CG . GLU E 1 97 ? 26.450 44.545 17.547 1.00 39.92 ? 97 GLU E CG 1 ATOM 6950 C CD . GLU E 1 97 ? 26.690 43.125 17.053 1.00 41.98 ? 97 GLU E CD 1 ATOM 6951 O OE1 . GLU E 1 97 ? 27.258 42.973 15.952 1.00 44.21 ? 97 GLU E OE1 1 ATOM 6952 O OE2 . GLU E 1 97 ? 26.312 42.162 17.754 1.00 42.28 ? 97 GLU E OE2 1 ATOM 6953 N N . ILE E 1 98 ? 21.984 43.675 19.293 1.00 34.41 ? 98 ILE E N 1 ATOM 6954 C CA . ILE E 1 98 ? 20.996 43.836 20.360 1.00 33.52 ? 98 ILE E CA 1 ATOM 6955 C C . ILE E 1 98 ? 21.407 43.032 21.586 1.00 34.60 ? 98 ILE E C 1 ATOM 6956 O O . ILE E 1 98 ? 21.840 41.888 21.470 1.00 35.60 ? 98 ILE E O 1 ATOM 6957 C CB . ILE E 1 98 ? 19.561 43.447 19.914 1.00 32.80 ? 98 ILE E CB 1 ATOM 6958 C CG1 . ILE E 1 98 ? 18.986 44.497 18.969 1.00 31.51 ? 98 ILE E CG1 1 ATOM 6959 C CG2 . ILE E 1 98 ? 18.621 43.290 21.109 1.00 32.62 ? 98 ILE E CG2 1 ATOM 6960 C CD1 . ILE E 1 98 ? 18.719 43.970 17.605 1.00 31.77 ? 98 ILE E CD1 1 ATOM 6961 N N . GLN E 1 99 ? 21.283 43.649 22.756 1.00 34.87 ? 99 GLN E N 1 ATOM 6962 C CA . GLN E 1 99 ? 21.556 42.977 24.021 1.00 36.56 ? 99 GLN E CA 1 ATOM 6963 C C . GLN E 1 99 ? 20.335 43.053 24.923 1.00 36.66 ? 99 GLN E C 1 ATOM 6964 O O . GLN E 1 99 ? 19.740 44.117 25.090 1.00 36.00 ? 99 GLN E O 1 ATOM 6965 C CB . GLN E 1 99 ? 22.768 43.591 24.720 1.00 37.66 ? 99 GLN E CB 1 ATOM 6966 C CG . GLN E 1 99 ? 24.071 43.419 23.974 1.00 38.50 ? 99 GLN E CG 1 ATOM 6967 C CD . GLN E 1 99 ? 25.203 44.187 24.614 1.00 40.83 ? 99 GLN E CD 1 ATOM 6968 O OE1 . GLN E 1 99 ? 25.634 45.221 24.102 1.00 41.04 ? 99 GLN E OE1 1 ATOM 6969 N NE2 . GLN E 1 99 ? 25.686 43.693 25.750 1.00 43.13 ? 99 GLN E NE2 1 ATOM 6970 N N . LEU E 1 100 ? 19.964 41.916 25.501 1.00 37.94 ? 100 LEU E N 1 ATOM 6971 C CA . LEU E 1 100 ? 18.782 41.843 26.347 1.00 38.66 ? 100 LEU E CA 1 ATOM 6972 C C . LEU E 1 100 ? 19.119 41.225 27.697 1.00 41.24 ? 100 LEU E C 1 ATOM 6973 O O . LEU E 1 100 ? 19.797 40.198 27.769 1.00 42.52 ? 100 LEU E O 1 ATOM 6974 C CB . LEU E 1 100 ? 17.674 41.054 25.642 1.00 38.18 ? 100 LEU E CB 1 ATOM 6975 C CG . LEU E 1 100 ? 16.238 41.315 26.093 1.00 38.44 ? 100 LEU E CG 1 ATOM 6976 C CD1 . LEU E 1 100 ? 15.271 41.158 24.934 1.00 36.89 ? 100 LEU E CD1 1 ATOM 6977 C CD2 . LEU E 1 100 ? 15.862 40.403 27.251 1.00 41.65 ? 100 LEU E CD2 1 ATOM 6978 N N . SER E 1 101 ? 18.642 41.867 28.759 1.00 42.36 ? 101 SER E N 1 ATOM 6979 C CA . SER E 1 101 ? 18.870 41.409 30.127 1.00 45.36 ? 101 SER E CA 1 ATOM 6980 C C . SER E 1 101 ? 17.554 41.363 30.902 1.00 46.93 ? 101 SER E C 1 ATOM 6981 O O . SER E 1 101 ? 16.973 42.406 31.219 1.00 46.74 ? 101 SER E O 1 ATOM 6982 C CB . SER E 1 101 ? 19.872 42.327 30.827 1.00 46.30 ? 101 SER E CB 1 ATOM 6983 O OG . SER E 1 101 ? 20.090 41.927 32.165 1.00 49.55 ? 101 SER E OG 1 ATOM 6984 N N . ALA E 1 102 ? 17.085 40.150 31.188 1.00 48.86 ? 102 ALA E N 1 ATOM 6985 C CA . ALA E 1 102 ? 15.842 39.944 31.932 1.00 51.02 ? 102 ALA E CA 1 ATOM 6986 C C . ALA E 1 102 ? 16.083 39.120 33.193 1.00 55.27 ? 102 ALA E C 1 ATOM 6987 O O . ALA E 1 102 ? 16.916 38.213 33.199 1.00 56.36 ? 102 ALA E O 1 ATOM 6988 C CB . ALA E 1 102 ? 14.798 39.275 31.052 1.00 49.86 ? 102 ALA E CB 1 ATOM 6989 N N . GLY E 1 103 ? 15.350 39.443 34.256 1.00 58.05 ? 103 GLY E N 1 ATOM 6990 C CA . GLY E 1 103 ? 15.436 38.703 35.515 1.00 62.87 ? 103 GLY E CA 1 ATOM 6991 C C . GLY E 1 103 ? 14.707 39.371 36.667 1.00 65.99 ? 103 GLY E C 1 ATOM 6992 O O . GLY E 1 103 ? 13.848 40.230 36.451 1.00 64.69 ? 103 GLY E O 1 ATOM 6993 N N . CYS E 1 104 ? 15.045 38.968 37.892 1.00 70.54 ? 104 CYS E N 1 ATOM 6994 C CA . CYS E 1 104 ? 14.435 39.535 39.101 1.00 74.45 ? 104 CYS E CA 1 ATOM 6995 C C . CYS E 1 104 ? 15.395 39.586 40.291 1.00 78.58 ? 104 CYS E C 1 ATOM 6996 O O . CYS E 1 104 ? 16.375 38.838 40.343 1.00 79.39 ? 104 CYS E O 1 ATOM 6997 C CB . CYS E 1 104 ? 13.139 38.795 39.476 1.00 77.36 ? 104 CYS E CB 1 ATOM 6998 S SG . CYS E 1 104 ? 13.175 36.977 39.339 1.00 79.65 ? 104 CYS E SG 1 ATOM 6999 N N . GLU E 1 105 ? 15.103 40.481 41.235 1.00 81.55 ? 105 GLU E N 1 ATOM 7000 C CA . GLU E 1 105 ? 15.875 40.622 42.475 1.00 86.31 ? 105 GLU E CA 1 ATOM 7001 C C . GLU E 1 105 ? 14.948 40.830 43.674 1.00 91.64 ? 105 GLU E C 1 ATOM 7002 O O . GLU E 1 105 ? 13.850 41.373 43.528 1.00 91.03 ? 105 GLU E O 1 ATOM 7003 C CB . GLU E 1 105 ? 16.858 41.790 42.363 1.00 84.64 ? 105 GLU E CB 1 ATOM 7004 N N . MET E 1 106 ? 15.392 40.402 44.855 1.00 97.23 ? 106 MET E N 1 ATOM 7005 C CA . MET E 1 106 ? 14.579 40.508 46.072 1.00 103.34 ? 106 MET E CA 1 ATOM 7006 C C . MET E 1 106 ? 15.378 40.989 47.286 1.00 108.53 ? 106 MET E C 1 ATOM 7007 O O . MET E 1 106 ? 14.827 41.164 48.377 1.00 114.22 ? 106 MET E O 1 ATOM 7008 C CB . MET E 1 106 ? 13.870 39.177 46.379 1.00 106.72 ? 106 MET E CB 1 ATOM 7009 C CG . MET E 1 106 ? 14.763 38.057 46.927 1.00 110.57 ? 106 MET E CG 1 ATOM 7010 S SD . MET E 1 106 ? 16.058 37.504 45.792 1.00 105.53 ? 106 MET E SD 1 ATOM 7011 C CE . MET E 1 106 ? 15.095 37.019 44.359 1.00 99.65 ? 106 MET E CE 1 ATOM 7012 N N . ALA E 1 111 ? 9.469 40.923 49.272 1.00 122.00 ? 111 ALA E N 1 ATOM 7013 C CA . ALA E 1 111 ? 9.375 41.855 48.153 1.00 115.16 ? 111 ALA E CA 1 ATOM 7014 C C . ALA E 1 111 ? 10.299 41.459 47.007 1.00 108.66 ? 111 ALA E C 1 ATOM 7015 O O . ALA E 1 111 ? 11.432 41.032 47.233 1.00 109.16 ? 111 ALA E O 1 ATOM 7016 C CB . ALA E 1 111 ? 9.681 43.274 48.614 1.00 116.28 ? 111 ALA E CB 1 ATOM 7017 N N . SER E 1 112 ? 9.798 41.603 45.780 1.00 102.94 ? 112 SER E N 1 ATOM 7018 C CA . SER E 1 112 ? 10.583 41.373 44.566 1.00 96.66 ? 112 SER E CA 1 ATOM 7019 C C . SER E 1 112 ? 10.543 42.579 43.638 1.00 91.45 ? 112 SER E C 1 ATOM 7020 O O . SER E 1 112 ? 9.677 43.445 43.763 1.00 92.27 ? 112 SER E O 1 ATOM 7021 C CB . SER E 1 112 ? 10.082 40.138 43.813 1.00 94.87 ? 112 SER E CB 1 ATOM 7022 O OG . SER E 1 112 ? 10.828 38.987 44.159 1.00 97.39 ? 112 SER E OG 1 ATOM 7023 N N . GLU E 1 113 ? 11.493 42.623 42.711 1.00 86.62 ? 113 GLU E N 1 ATOM 7024 C CA . GLU E 1 113 ? 11.512 43.619 41.650 1.00 81.47 ? 113 GLU E CA 1 ATOM 7025 C C . GLU E 1 113 ? 12.051 42.960 40.385 1.00 76.45 ? 113 GLU E C 1 ATOM 7026 O O . GLU E 1 113 ? 13.162 42.421 40.382 1.00 76.29 ? 113 GLU E O 1 ATOM 7027 C CB . GLU E 1 113 ? 12.367 44.823 42.049 1.00 82.10 ? 113 GLU E CB 1 ATOM 7028 N N . SER E 1 114 ? 11.252 42.995 39.321 1.00 72.77 ? 114 SER E N 1 ATOM 7029 C CA . SER E 1 114 ? 11.582 42.310 38.072 1.00 68.48 ? 114 SER E CA 1 ATOM 7030 C C . SER E 1 114 ? 11.937 43.308 36.968 1.00 63.76 ? 114 SER E C 1 ATOM 7031 O O . SER E 1 114 ? 11.538 44.472 37.025 1.00 63.53 ? 114 SER E O 1 ATOM 7032 C CB . SER E 1 114 ? 10.414 41.422 37.640 1.00 68.58 ? 114 SER E CB 1 ATOM 7033 O OG . SER E 1 114 ? 10.871 40.249 36.993 1.00 67.33 ? 114 SER E OG 1 ATOM 7034 N N . PHE E 1 115 ? 12.684 42.847 35.964 1.00 60.42 ? 115 PHE E N 1 ATOM 7035 C CA . PHE E 1 115 ? 13.182 43.730 34.904 1.00 56.43 ? 115 PHE E CA 1 ATOM 7036 C C . PHE E 1 115 ? 13.359 43.053 33.546 1.00 52.87 ? 115 PHE E C 1 ATOM 7037 O O . PHE E 1 115 ? 13.573 41.842 33.458 1.00 53.48 ? 115 PHE E O 1 ATOM 7038 C CB . PHE E 1 115 ? 14.510 44.384 35.324 1.00 57.01 ? 115 PHE E CB 1 ATOM 7039 C CG . PHE E 1 115 ? 15.618 43.398 35.618 1.00 58.33 ? 115 PHE E CG 1 ATOM 7040 C CD1 . PHE E 1 115 ? 15.866 42.980 36.922 1.00 62.58 ? 115 PHE E CD1 1 ATOM 7041 C CD2 . PHE E 1 115 ? 16.419 42.897 34.592 1.00 55.60 ? 115 PHE E CD2 1 ATOM 7042 C CE1 . PHE E 1 115 ? 16.887 42.074 37.199 1.00 64.27 ? 115 PHE E CE1 1 ATOM 7043 C CE2 . PHE E 1 115 ? 17.439 41.991 34.857 1.00 57.04 ? 115 PHE E CE2 1 ATOM 7044 C CZ . PHE E 1 115 ? 17.675 41.579 36.164 1.00 61.48 ? 115 PHE E CZ 1 ATOM 7045 N N . LEU E 1 116 ? 13.267 43.861 32.494 1.00 49.59 ? 116 LEU E N 1 ATOM 7046 C CA . LEU E 1 116 ? 13.648 43.458 31.147 1.00 46.41 ? 116 LEU E CA 1 ATOM 7047 C C . LEU E 1 116 ? 14.222 44.691 30.457 1.00 44.04 ? 116 LEU E C 1 ATOM 7048 O O . LEU E 1 116 ? 13.486 45.608 30.091 1.00 43.04 ? 116 LEU E O 1 ATOM 7049 C CB . LEU E 1 116 ? 12.447 42.901 30.373 1.00 45.51 ? 116 LEU E CB 1 ATOM 7050 C CG . LEU E 1 116 ? 12.696 42.035 29.127 1.00 43.71 ? 116 LEU E CG 1 ATOM 7051 C CD1 . LEU E 1 116 ? 11.450 41.229 28.790 1.00 44.41 ? 116 LEU E CD1 1 ATOM 7052 C CD2 . LEU E 1 116 ? 13.140 42.853 27.914 1.00 40.50 ? 116 LEU E CD2 1 ATOM 7053 N N . HIS E 1 117 ? 15.543 44.709 30.305 1.00 43.47 ? 117 HIS E N 1 ATOM 7054 C CA . HIS E 1 117 ? 16.255 45.850 29.740 1.00 41.94 ? 117 HIS E CA 1 ATOM 7055 C C . HIS E 1 117 ? 16.899 45.479 28.404 1.00 39.54 ? 117 HIS E C 1 ATOM 7056 O O . HIS E 1 117 ? 17.494 44.410 28.267 1.00 39.77 ? 117 HIS E O 1 ATOM 7057 C CB . HIS E 1 117 ? 17.317 46.344 30.726 1.00 44.00 ? 117 HIS E CB 1 ATOM 7058 C CG . HIS E 1 117 ? 16.759 47.021 31.944 1.00 46.88 ? 117 HIS E CG 1 ATOM 7059 N ND1 . HIS E 1 117 ? 17.503 47.889 32.715 1.00 49.49 ? 117 HIS E ND1 1 ATOM 7060 C CD2 . HIS E 1 117 ? 15.535 46.964 32.522 1.00 48.47 ? 117 HIS E CD2 1 ATOM 7061 C CE1 . HIS E 1 117 ? 16.766 48.330 33.719 1.00 51.61 ? 117 HIS E CE1 1 ATOM 7062 N NE2 . HIS E 1 117 ? 15.567 47.785 33.624 1.00 51.27 ? 117 HIS E NE2 1 ATOM 7063 N N . VAL E 1 118 ? 16.768 46.361 27.417 1.00 37.73 ? 118 VAL E N 1 ATOM 7064 C CA . VAL E 1 118 ? 17.310 46.102 26.084 1.00 35.96 ? 118 VAL E CA 1 ATOM 7065 C C . VAL E 1 118 ? 18.292 47.182 25.637 1.00 35.71 ? 118 VAL E C 1 ATOM 7066 O O . VAL E 1 118 ? 17.987 48.380 25.689 1.00 35.84 ? 118 VAL E O 1 ATOM 7067 C CB . VAL E 1 118 ? 16.202 45.958 25.014 1.00 34.39 ? 118 VAL E CB 1 ATOM 7068 C CG1 . VAL E 1 118 ? 16.807 45.509 23.690 1.00 33.04 ? 118 VAL E CG1 1 ATOM 7069 C CG2 . VAL E 1 118 ? 15.131 44.972 25.466 1.00 34.96 ? 118 VAL E CG2 1 ATOM 7070 N N . ALA E 1 119 ? 19.467 46.738 25.196 1.00 35.70 ? 119 ALA E N 1 ATOM 7071 C CA . ALA E 1 119 ? 20.493 47.621 24.654 1.00 35.74 ? 119 ALA E CA 1 ATOM 7072 C C . ALA E 1 119 ? 20.619 47.468 23.138 1.00 34.53 ? 119 ALA E C 1 ATOM 7073 O O . ALA E 1 119 ? 20.519 46.363 22.602 1.00 34.05 ? 119 ALA E O 1 ATOM 7074 C CB . ALA E 1 119 ? 21.826 47.362 25.325 1.00 37.08 ? 119 ALA E CB 1 ATOM 7075 N N . PHE E 1 120 ? 20.843 48.591 22.461 1.00 34.50 ? 120 PHE E N 1 ATOM 7076 C CA . PHE E 1 120 ? 20.985 48.628 21.012 1.00 33.88 ? 120 PHE E CA 1 ATOM 7077 C C . PHE E 1 120 ? 22.297 49.326 20.669 1.00 34.99 ? 120 PHE E C 1 ATOM 7078 O O . PHE E 1 120 ? 22.543 50.453 21.100 1.00 36.02 ? 120 PHE E O 1 ATOM 7079 C CB . PHE E 1 120 ? 19.785 49.357 20.393 1.00 33.16 ? 120 PHE E CB 1 ATOM 7080 C CG . PHE E 1 120 ? 19.862 49.526 18.900 1.00 33.43 ? 120 PHE E CG 1 ATOM 7081 C CD1 . PHE E 1 120 ? 19.652 48.447 18.049 1.00 33.43 ? 120 PHE E CD1 1 ATOM 7082 C CD2 . PHE E 1 120 ? 20.115 50.776 18.345 1.00 34.64 ? 120 PHE E CD2 1 ATOM 7083 C CE1 . PHE E 1 120 ? 19.716 48.606 16.667 1.00 34.01 ? 120 PHE E CE1 1 ATOM 7084 C CE2 . PHE E 1 120 ? 20.178 50.945 16.965 1.00 34.96 ? 120 PHE E CE2 1 ATOM 7085 C CZ . PHE E 1 120 ? 19.982 49.859 16.126 1.00 34.70 ? 120 PHE E CZ 1 ATOM 7086 N N . GLN E 1 121 ? 23.140 48.639 19.902 1.00 35.23 ? 121 GLN E N 1 ATOM 7087 C CA . GLN E 1 121 ? 24.483 49.123 19.558 1.00 36.66 ? 121 GLN E CA 1 ATOM 7088 C C . GLN E 1 121 ? 25.317 49.480 20.801 1.00 37.87 ? 121 GLN E C 1 ATOM 7089 O O . GLN E 1 121 ? 26.093 50.434 20.788 1.00 39.43 ? 121 GLN E O 1 ATOM 7090 C CB . GLN E 1 121 ? 24.419 50.305 18.577 1.00 37.18 ? 121 GLN E CB 1 ATOM 7091 C CG . GLN E 1 121 ? 23.529 50.091 17.347 1.00 36.65 ? 121 GLN E CG 1 ATOM 7092 C CD . GLN E 1 121 ? 24.101 49.106 16.335 1.00 37.60 ? 121 GLN E CD 1 ATOM 7093 O OE1 . GLN E 1 121 ? 24.270 47.918 16.626 1.00 37.78 ? 121 GLN E OE1 1 ATOM 7094 N NE2 . GLN E 1 121 ? 24.379 49.596 15.129 1.00 38.00 ? 121 GLN E NE2 1 ATOM 7095 N N . GLY E 1 122 ? 25.143 48.706 21.870 1.00 37.50 ? 122 GLY E N 1 ATOM 7096 C CA . GLY E 1 122 ? 25.907 48.889 23.098 1.00 38.84 ? 122 GLY E CA 1 ATOM 7097 C C . GLY E 1 122 ? 25.313 49.863 24.101 1.00 39.26 ? 122 GLY E C 1 ATOM 7098 O O . GLY E 1 122 ? 25.866 50.043 25.188 1.00 41.07 ? 122 GLY E O 1 ATOM 7099 N N . LYS E 1 123 ? 24.191 50.485 23.744 1.00 37.91 ? 123 LYS E N 1 ATOM 7100 C CA . LYS E 1 123 ? 23.563 51.499 24.592 1.00 38.68 ? 123 LYS E CA 1 ATOM 7101 C C . LYS E 1 123 ? 22.133 51.133 24.993 1.00 37.56 ? 123 LYS E C 1 ATOM 7102 O O . LYS E 1 123 ? 21.330 50.702 24.161 1.00 35.85 ? 123 LYS E O 1 ATOM 7103 C CB . LYS E 1 123 ? 23.598 52.869 23.909 1.00 39.21 ? 123 LYS E CB 1 ATOM 7104 N N . TYR E 1 124 ? 21.833 51.316 26.278 1.00 38.93 ? 124 TYR E N 1 ATOM 7105 C CA . TYR E 1 124 ? 20.523 51.012 26.862 1.00 38.50 ? 124 TYR E CA 1 ATOM 7106 C C . TYR E 1 124 ? 19.445 51.955 26.318 1.00 37.85 ? 124 TYR E C 1 ATOM 7107 O O . TYR E 1 124 ? 19.569 53.177 26.433 1.00 39.32 ? 124 TYR E O 1 ATOM 7108 C CB . TYR E 1 124 ? 20.634 51.099 28.393 1.00 40.92 ? 124 TYR E CB 1 ATOM 7109 C CG . TYR E 1 124 ? 19.358 50.916 29.191 1.00 41.27 ? 124 TYR E CG 1 ATOM 7110 C CD1 . TYR E 1 124 ? 18.421 49.935 28.856 1.00 39.65 ? 124 TYR E CD1 1 ATOM 7111 C CD2 . TYR E 1 124 ? 19.111 51.703 30.316 1.00 43.47 ? 124 TYR E CD2 1 ATOM 7112 C CE1 . TYR E 1 124 ? 17.256 49.771 29.608 1.00 40.42 ? 124 TYR E CE1 1 ATOM 7113 C CE2 . TYR E 1 124 ? 17.958 51.543 31.073 1.00 44.17 ? 124 TYR E CE2 1 ATOM 7114 C CZ . TYR E 1 124 ? 17.036 50.577 30.716 1.00 42.71 ? 124 TYR E CZ 1 ATOM 7115 O OH . TYR E 1 124 ? 15.892 50.424 31.465 1.00 43.93 ? 124 TYR E OH 1 ATOM 7116 N N . VAL E 1 125 ? 18.401 51.387 25.713 1.00 35.98 ? 125 VAL E N 1 ATOM 7117 C CA . VAL E 1 125 ? 17.358 52.197 25.062 1.00 35.27 ? 125 VAL E CA 1 ATOM 7118 C C . VAL E 1 125 ? 15.919 51.850 25.460 1.00 35.13 ? 125 VAL E C 1 ATOM 7119 O O . VAL E 1 125 ? 15.088 52.743 25.611 1.00 35.80 ? 125 VAL E O 1 ATOM 7120 C CB . VAL E 1 125 ? 17.475 52.188 23.503 1.00 33.67 ? 125 VAL E CB 1 ATOM 7121 C CG1 . VAL E 1 125 ? 18.739 52.914 23.041 1.00 34.10 ? 125 VAL E CG1 1 ATOM 7122 C CG2 . VAL E 1 125 ? 17.410 50.764 22.937 1.00 31.88 ? 125 VAL E CG2 1 ATOM 7123 N N . VAL E 1 126 ? 15.633 50.558 25.622 1.00 34.59 ? 126 VAL E N 1 ATOM 7124 C CA . VAL E 1 126 ? 14.266 50.077 25.832 1.00 34.56 ? 126 VAL E CA 1 ATOM 7125 C C . VAL E 1 126 ? 14.157 49.183 27.065 1.00 36.28 ? 126 VAL E C 1 ATOM 7126 O O . VAL E 1 126 ? 15.077 48.423 27.371 1.00 36.71 ? 126 VAL E O 1 ATOM 7127 C CB . VAL E 1 126 ? 13.743 49.309 24.584 1.00 32.61 ? 126 VAL E CB 1 ATOM 7128 C CG1 . VAL E 1 126 ? 12.391 48.658 24.854 1.00 32.73 ? 126 VAL E CG1 1 ATOM 7129 C CG2 . VAL E 1 126 ? 13.643 50.239 23.387 1.00 31.63 ? 126 VAL E CG2 1 ATOM 7130 N N . ARG E 1 127 ? 13.028 49.288 27.764 1.00 37.69 ? 127 ARG E N 1 ATOM 7131 C CA . ARG E 1 127 ? 12.689 48.386 28.865 1.00 39.67 ? 127 ARG E CA 1 ATOM 7132 C C . ARG E 1 127 ? 11.216 47.987 28.790 1.00 40.14 ? 127 ARG E C 1 ATOM 7133 O O . ARG E 1 127 ? 10.412 48.681 28.166 1.00 39.42 ? 127 ARG E O 1 ATOM 7134 C CB . ARG E 1 127 ? 12.983 49.040 30.221 1.00 42.43 ? 127 ARG E CB 1 ATOM 7135 C CG . ARG E 1 127 ? 12.177 50.303 30.488 1.00 43.51 ? 127 ARG E CG 1 ATOM 7136 C CD . ARG E 1 127 ? 12.147 50.682 31.955 1.00 46.76 ? 127 ARG E CD 1 ATOM 7137 N NE . ARG E 1 127 ? 11.270 51.831 32.167 1.00 48.42 ? 127 ARG E NE 1 ATOM 7138 C CZ . ARG E 1 127 ? 11.149 52.501 33.309 1.00 52.10 ? 127 ARG E CZ 1 ATOM 7139 N NH1 . ARG E 1 127 ? 11.854 52.152 34.378 1.00 54.65 ? 127 ARG E NH1 1 ATOM 7140 N NH2 . ARG E 1 127 ? 10.319 53.531 33.378 1.00 53.66 ? 127 ARG E NH2 1 ATOM 7141 N N . PHE E 1 128 ? 10.867 46.868 29.419 1.00 41.75 ? 128 PHE E N 1 ATOM 7142 C CA . PHE E 1 128 ? 9.464 46.513 29.596 1.00 43.12 ? 128 PHE E CA 1 ATOM 7143 C C . PHE E 1 128 ? 9.007 46.978 30.975 1.00 46.60 ? 128 PHE E C 1 ATOM 7144 O O . PHE E 1 128 ? 9.430 46.437 31.994 1.00 49.03 ? 128 PHE E O 1 ATOM 7145 C CB . PHE E 1 128 ? 9.234 45.008 29.417 1.00 43.34 ? 128 PHE E CB 1 ATOM 7146 C CG . PHE E 1 128 ? 7.784 44.633 29.242 1.00 44.05 ? 128 PHE E CG 1 ATOM 7147 C CD1 . PHE E 1 128 ? 7.209 44.602 27.974 1.00 42.16 ? 128 PHE E CD1 1 ATOM 7148 C CD2 . PHE E 1 128 ? 6.994 44.316 30.341 1.00 47.01 ? 128 PHE E CD2 1 ATOM 7149 C CE1 . PHE E 1 128 ? 5.867 44.261 27.802 1.00 43.20 ? 128 PHE E CE1 1 ATOM 7150 C CE2 . PHE E 1 128 ? 5.653 43.970 30.180 1.00 48.60 ? 128 PHE E CE2 1 ATOM 7151 C CZ . PHE E 1 128 ? 5.089 43.943 28.907 1.00 46.42 ? 128 PHE E CZ 1 ATOM 7152 N N . TRP E 1 129 ? 8.158 47.999 30.997 1.00 47.45 ? 129 TRP E N 1 ATOM 7153 C CA . TRP E 1 129 ? 7.669 48.565 32.248 1.00 51.14 ? 129 TRP E CA 1 ATOM 7154 C C . TRP E 1 129 ? 6.152 48.501 32.294 1.00 52.53 ? 129 TRP E C 1 ATOM 7155 O O . TRP E 1 129 ? 5.474 48.894 31.341 1.00 50.76 ? 129 TRP E O 1 ATOM 7156 C CB . TRP E 1 129 ? 8.148 50.011 32.406 1.00 51.70 ? 129 TRP E CB 1 ATOM 7157 C CG . TRP E 1 129 ? 7.813 50.625 33.734 1.00 56.20 ? 129 TRP E CG 1 ATOM 7158 C CD1 . TRP E 1 129 ? 6.797 51.497 34.001 1.00 58.58 ? 129 TRP E CD1 1 ATOM 7159 C CD2 . TRP E 1 129 ? 8.499 50.414 34.976 1.00 59.53 ? 129 TRP E CD2 1 ATOM 7160 N NE1 . TRP E 1 129 ? 6.806 51.842 35.334 1.00 63.35 ? 129 TRP E NE1 1 ATOM 7161 C CE2 . TRP E 1 129 ? 7.840 51.192 35.955 1.00 63.78 ? 129 TRP E CE2 1 ATOM 7162 C CE3 . TRP E 1 129 ? 9.605 49.644 35.356 1.00 59.67 ? 129 TRP E CE3 1 ATOM 7163 C CZ2 . TRP E 1 129 ? 8.250 51.221 37.290 1.00 68.21 ? 129 TRP E CZ2 1 ATOM 7164 C CZ3 . TRP E 1 129 ? 10.014 49.674 36.684 1.00 64.16 ? 129 TRP E CZ3 1 ATOM 7165 C CH2 . TRP E 1 129 ? 9.335 50.458 37.635 1.00 68.46 ? 129 TRP E CH2 1 ATOM 7166 N N . GLY E 1 130 ? 5.631 47.998 33.409 1.00 56.12 ? 130 GLY E N 1 ATOM 7167 C CA . GLY E 1 130 ? 4.193 47.869 33.614 1.00 58.24 ? 130 GLY E CA 1 ATOM 7168 C C . GLY E 1 130 ? 3.572 46.831 32.703 1.00 56.48 ? 130 GLY E C 1 ATOM 7169 O O . GLY E 1 130 ? 3.720 45.627 32.927 1.00 57.36 ? 130 GLY E O 1 ATOM 7170 N N . THR E 1 131 ? 2.887 47.307 31.666 1.00 54.40 ? 131 THR E N 1 ATOM 7171 C CA . THR E 1 131 ? 2.169 46.435 30.737 1.00 53.16 ? 131 THR E CA 1 ATOM 7172 C C . THR E 1 131 ? 2.608 46.622 29.278 1.00 49.20 ? 131 THR E C 1 ATOM 7173 O O . THR E 1 131 ? 1.995 46.058 28.367 1.00 48.32 ? 131 THR E O 1 ATOM 7174 C CB . THR E 1 131 ? 0.644 46.669 30.816 1.00 55.33 ? 131 THR E CB 1 ATOM 7175 O OG1 . THR E 1 131 ? 0.360 48.044 30.530 1.00 54.83 ? 131 THR E OG1 1 ATOM 7176 C CG2 . THR E 1 131 ? 0.104 46.313 32.192 1.00 59.58 ? 131 THR E CG2 1 ATOM 7177 N N . SER E 1 132 ? 3.659 47.409 29.058 1.00 47.14 ? 132 SER E N 1 ATOM 7178 C CA . SER E 1 132 ? 4.093 47.733 27.701 1.00 43.86 ? 132 SER E CA 1 ATOM 7179 C C . SER E 1 132 ? 5.592 48.002 27.605 1.00 42.17 ? 132 SER E C 1 ATOM 7180 O O . SER E 1 132 ? 6.283 48.096 28.623 1.00 43.49 ? 132 SER E O 1 ATOM 7181 C CB . SER E 1 132 ? 3.305 48.934 27.160 1.00 43.70 ? 132 SER E CB 1 ATOM 7182 O OG . SER E 1 132 ? 3.526 50.089 27.951 1.00 45.09 ? 132 SER E OG 1 ATOM 7183 N N . TRP E 1 133 ? 6.078 48.113 26.369 1.00 39.49 ? 133 TRP E N 1 ATOM 7184 C CA . TRP E 1 133 ? 7.457 48.501 26.091 1.00 37.85 ? 133 TRP E CA 1 ATOM 7185 C C . TRP E 1 133 ? 7.586 50.016 26.120 1.00 38.06 ? 133 TRP E C 1 ATOM 7186 O O . TRP E 1 133 ? 6.654 50.733 25.758 1.00 38.46 ? 133 TRP E O 1 ATOM 7187 C CB . TRP E 1 133 ? 7.897 47.977 24.726 1.00 35.53 ? 133 TRP E CB 1 ATOM 7188 C CG . TRP E 1 133 ? 7.799 46.502 24.599 1.00 35.39 ? 133 TRP E CG 1 ATOM 7189 C CD1 . TRP E 1 133 ? 6.712 45.787 24.194 1.00 36.05 ? 133 TRP E CD1 1 ATOM 7190 C CD2 . TRP E 1 133 ? 8.828 45.549 24.881 1.00 35.26 ? 133 TRP E CD2 1 ATOM 7191 N NE1 . TRP E 1 133 ? 6.999 44.444 24.205 1.00 36.66 ? 133 TRP E NE1 1 ATOM 7192 C CE2 . TRP E 1 133 ? 8.292 44.270 24.622 1.00 35.93 ? 133 TRP E CE2 1 ATOM 7193 C CE3 . TRP E 1 133 ? 10.152 45.651 25.326 1.00 35.07 ? 133 TRP E CE3 1 ATOM 7194 C CZ2 . TRP E 1 133 ? 9.033 43.100 24.794 1.00 36.46 ? 133 TRP E CZ2 1 ATOM 7195 C CZ3 . TRP E 1 133 ? 10.889 44.487 25.494 1.00 35.49 ? 133 TRP E CZ3 1 ATOM 7196 C CH2 . TRP E 1 133 ? 10.328 43.228 25.229 1.00 36.19 ? 133 TRP E CH2 1 ATOM 7197 N N . GLN E 1 134 ? 8.751 50.492 26.547 1.00 38.21 ? 134 GLN E N 1 ATOM 7198 C CA . GLN E 1 134 ? 9.015 51.919 26.688 1.00 39.19 ? 134 GLN E CA 1 ATOM 7199 C C . GLN E 1 134 ? 10.450 52.249 26.318 1.00 38.15 ? 134 GLN E C 1 ATOM 7200 O O . GLN E 1 134 ? 11.352 51.432 26.512 1.00 37.65 ? 134 GLN E O 1 ATOM 7201 C CB . GLN E 1 134 ? 8.791 52.364 28.133 1.00 42.23 ? 134 GLN E CB 1 ATOM 7202 C CG . GLN E 1 134 ? 7.349 52.394 28.592 1.00 44.58 ? 134 GLN E CG 1 ATOM 7203 C CD . GLN E 1 134 ? 7.232 52.675 30.074 1.00 49.00 ? 134 GLN E CD 1 ATOM 7204 O OE1 . GLN E 1 134 ? 8.214 53.040 30.732 1.00 50.64 ? 134 GLN E OE1 1 ATOM 7205 N NE2 . GLN E 1 134 ? 6.029 52.507 30.614 1.00 51.12 ? 134 GLN E NE2 1 ATOM 7206 N N . THR E 1 135 ? 10.655 53.457 25.806 1.00 38.25 ? 135 THR E N 1 ATOM 7207 C CA . THR E 1 135 ? 11.999 53.984 25.595 1.00 38.13 ? 135 THR E CA 1 ATOM 7208 C C . THR E 1 135 ? 12.460 54.733 26.844 1.00 40.60 ? 135 THR E C 1 ATOM 7209 O O . THR E 1 135 ? 11.653 55.361 27.526 1.00 42.61 ? 135 THR E O 1 ATOM 7210 C CB . THR E 1 135 ? 12.068 54.914 24.365 1.00 37.60 ? 135 THR E CB 1 ATOM 7211 O OG1 . THR E 1 135 ? 11.089 55.954 24.486 1.00 39.38 ? 135 THR E OG1 1 ATOM 7212 C CG2 . THR E 1 135 ? 11.819 54.128 23.082 1.00 35.24 ? 135 THR E CG2 1 ATOM 7213 N N . VAL E 1 136 ? 13.755 54.655 27.137 1.00 40.82 ? 136 VAL E N 1 ATOM 7214 C CA . VAL E 1 136 ? 14.332 55.294 28.325 1.00 43.72 ? 136 VAL E CA 1 ATOM 7215 C C . VAL E 1 136 ? 14.990 56.640 27.975 1.00 45.18 ? 136 VAL E C 1 ATOM 7216 O O . VAL E 1 136 ? 15.271 56.898 26.805 1.00 43.72 ? 136 VAL E O 1 ATOM 7217 C CB . VAL E 1 136 ? 15.331 54.348 29.065 1.00 44.03 ? 136 VAL E CB 1 ATOM 7218 C CG1 . VAL E 1 136 ? 14.669 53.008 29.387 1.00 42.99 ? 136 VAL E CG1 1 ATOM 7219 C CG2 . VAL E 1 136 ? 16.617 54.139 28.261 1.00 42.38 ? 136 VAL E CG2 1 ATOM 7220 N N . PRO E 1 137 ? 15.216 57.514 28.981 1.00 48.62 ? 137 PRO E N 1 ATOM 7221 C CA . PRO E 1 137 ? 15.898 58.789 28.727 1.00 50.60 ? 137 PRO E CA 1 ATOM 7222 C C . PRO E 1 137 ? 17.191 58.640 27.917 1.00 49.18 ? 137 PRO E C 1 ATOM 7223 O O . PRO E 1 137 ? 18.062 57.845 28.277 1.00 48.69 ? 137 PRO E O 1 ATOM 7224 C CB . PRO E 1 137 ? 16.209 59.298 30.137 1.00 54.53 ? 137 PRO E CB 1 ATOM 7225 C CG . PRO E 1 137 ? 15.094 58.775 30.959 1.00 55.14 ? 137 PRO E CG 1 ATOM 7226 C CD . PRO E 1 137 ? 14.706 57.441 30.365 1.00 51.35 ? 137 PRO E CD 1 ATOM 7227 N N . GLY E 1 138 ? 17.291 59.398 26.826 1.00 48.88 ? 138 GLY E N 1 ATOM 7228 C CA . GLY E 1 138 ? 18.469 59.379 25.959 1.00 48.09 ? 138 GLY E CA 1 ATOM 7229 C C . GLY E 1 138 ? 18.308 58.576 24.678 1.00 44.73 ? 138 GLY E C 1 ATOM 7230 O O . GLY E 1 138 ? 19.209 58.558 23.838 1.00 44.37 ? 138 GLY E O 1 ATOM 7231 N N . ALA E 1 139 ? 17.162 57.916 24.528 1.00 42.66 ? 139 ALA E N 1 ATOM 7232 C CA . ALA E 1 139 ? 16.900 57.046 23.381 1.00 39.78 ? 139 ALA E CA 1 ATOM 7233 C C . ALA E 1 139 ? 16.634 57.825 22.092 1.00 39.77 ? 139 ALA E C 1 ATOM 7234 O O . ALA E 1 139 ? 16.015 58.889 22.131 1.00 41.47 ? 139 ALA E O 1 ATOM 7235 C CB . ALA E 1 139 ? 15.735 56.107 23.681 1.00 38.14 ? 139 ALA E CB 1 ATOM 7236 N N . PRO E 1 140 ? 17.109 57.297 20.946 1.00 38.34 ? 140 PRO E N 1 ATOM 7237 C CA . PRO E 1 140 ? 16.774 57.862 19.640 1.00 38.54 ? 140 PRO E CA 1 ATOM 7238 C C . PRO E 1 140 ? 15.267 57.846 19.423 1.00 37.69 ? 140 PRO E C 1 ATOM 7239 O O . PRO E 1 140 ? 14.611 56.856 19.745 1.00 36.02 ? 140 PRO E O 1 ATOM 7240 C CB . PRO E 1 140 ? 17.451 56.903 18.660 1.00 37.08 ? 140 PRO E CB 1 ATOM 7241 C CG . PRO E 1 140 ? 18.554 56.301 19.421 1.00 37.06 ? 140 PRO E CG 1 ATOM 7242 C CD . PRO E 1 140 ? 18.059 56.176 20.823 1.00 37.09 ? 140 PRO E CD 1 ATOM 7243 N N . SER E 1 141 ? 14.736 58.941 18.886 1.00 39.27 ? 141 SER E N 1 ATOM 7244 C CA . SER E 1 141 ? 13.293 59.128 18.742 1.00 39.18 ? 141 SER E CA 1 ATOM 7245 C C . SER E 1 141 ? 12.654 58.172 17.739 1.00 37.33 ? 141 SER E C 1 ATOM 7246 O O . SER E 1 141 ? 11.492 57.807 17.892 1.00 36.75 ? 141 SER E O 1 ATOM 7247 C CB . SER E 1 141 ? 12.973 60.574 18.358 1.00 41.91 ? 141 SER E CB 1 ATOM 7248 O OG . SER E 1 141 ? 13.544 61.486 19.280 1.00 44.03 ? 141 SER E OG 1 ATOM 7249 N N . TRP E 1 142 ? 13.414 57.760 16.726 1.00 36.86 ? 142 TRP E N 1 ATOM 7250 C CA . TRP E 1 142 ? 12.892 56.864 15.695 1.00 35.66 ? 142 TRP E CA 1 ATOM 7251 C C . TRP E 1 142 ? 12.392 55.535 16.264 1.00 33.77 ? 142 TRP E C 1 ATOM 7252 O O . TRP E 1 142 ? 11.628 54.823 15.607 1.00 33.13 ? 142 TRP E O 1 ATOM 7253 C CB . TRP E 1 142 ? 13.917 56.638 14.578 1.00 36.06 ? 142 TRP E CB 1 ATOM 7254 C CG . TRP E 1 142 ? 15.204 56.003 15.016 1.00 35.24 ? 142 TRP E CG 1 ATOM 7255 C CD1 . TRP E 1 142 ? 16.390 56.637 15.249 1.00 36.58 ? 142 TRP E CD1 1 ATOM 7256 C CD2 . TRP E 1 142 ? 15.440 54.610 15.252 1.00 33.34 ? 142 TRP E CD2 1 ATOM 7257 N NE1 . TRP E 1 142 ? 17.348 55.728 15.623 1.00 35.72 ? 142 TRP E NE1 1 ATOM 7258 C CE2 . TRP E 1 142 ? 16.793 54.477 15.636 1.00 33.84 ? 142 TRP E CE2 1 ATOM 7259 C CE3 . TRP E 1 142 ? 14.640 53.462 15.182 1.00 32.20 ? 142 TRP E CE3 1 ATOM 7260 C CZ2 . TRP E 1 142 ? 17.365 53.242 15.950 1.00 33.03 ? 142 TRP E CZ2 1 ATOM 7261 C CZ3 . TRP E 1 142 ? 15.207 52.233 15.496 1.00 31.54 ? 142 TRP E CZ3 1 ATOM 7262 C CH2 . TRP E 1 142 ? 16.559 52.134 15.877 1.00 32.21 ? 142 TRP E CH2 1 ATOM 7263 N N . LEU E 1 143 ? 12.819 55.218 17.485 1.00 33.33 ? 143 LEU E N 1 ATOM 7264 C CA . LEU E 1 143 ? 12.393 54.008 18.187 1.00 32.02 ? 143 LEU E CA 1 ATOM 7265 C C . LEU E 1 143 ? 10.916 54.027 18.575 1.00 32.28 ? 143 LEU E C 1 ATOM 7266 O O . LEU E 1 143 ? 10.360 52.992 18.933 1.00 31.69 ? 143 LEU E O 1 ATOM 7267 C CB . LEU E 1 143 ? 13.242 53.781 19.438 1.00 32.06 ? 143 LEU E CB 1 ATOM 7268 C CG . LEU E 1 143 ? 14.648 53.204 19.288 1.00 31.67 ? 143 LEU E CG 1 ATOM 7269 C CD1 . LEU E 1 143 ? 15.459 53.527 20.520 1.00 32.90 ? 143 LEU E CD1 1 ATOM 7270 C CD2 . LEU E 1 143 ? 14.604 51.706 19.067 1.00 30.68 ? 143 LEU E CD2 1 ATOM 7271 N N . ASP E 1 144 ? 10.285 55.196 18.509 1.00 33.66 ? 144 ASP E N 1 ATOM 7272 C CA . ASP E 1 144 ? 8.852 55.304 18.784 1.00 34.36 ? 144 ASP E CA 1 ATOM 7273 C C . ASP E 1 144 ? 7.996 54.468 17.822 1.00 33.64 ? 144 ASP E C 1 ATOM 7274 O O . ASP E 1 144 ? 6.922 53.996 18.198 1.00 33.73 ? 144 ASP E O 1 ATOM 7275 C CB . ASP E 1 144 ? 8.396 56.767 18.774 1.00 36.34 ? 144 ASP E CB 1 ATOM 7276 C CG . ASP E 1 144 ? 8.889 57.551 19.988 1.00 38.17 ? 144 ASP E CG 1 ATOM 7277 O OD1 . ASP E 1 144 ? 9.346 56.935 20.977 1.00 38.26 ? 144 ASP E OD1 1 ATOM 7278 O OD2 . ASP E 1 144 ? 8.813 58.798 19.956 1.00 40.33 ? 144 ASP E OD2 1 ATOM 7279 N N . LEU E 1 145 ? 8.468 54.278 16.591 1.00 33.37 ? 145 LEU E N 1 ATOM 7280 C CA . LEU E 1 145 ? 7.733 53.460 15.628 1.00 33.27 ? 145 LEU E CA 1 ATOM 7281 C C . LEU E 1 145 ? 7.831 51.955 15.932 1.00 32.24 ? 145 LEU E C 1 ATOM 7282 O O . LEU E 1 145 ? 6.794 51.294 16.031 1.00 32.47 ? 145 LEU E O 1 ATOM 7283 C CB . LEU E 1 145 ? 8.114 53.789 14.177 1.00 33.91 ? 145 LEU E CB 1 ATOM 7284 C CG . LEU E 1 145 ? 7.318 53.113 13.048 1.00 34.57 ? 145 LEU E CG 1 ATOM 7285 C CD1 . LEU E 1 145 ? 5.805 53.072 13.292 1.00 34.99 ? 145 LEU E CD1 1 ATOM 7286 C CD2 . LEU E 1 145 ? 7.614 53.792 11.724 1.00 36.64 ? 145 LEU E CD2 1 ATOM 7287 N N . PRO E 1 146 ? 9.061 51.410 16.083 1.00 31.51 ? 146 PRO E N 1 ATOM 7288 C CA . PRO E 1 146 ? 9.175 50.030 16.555 1.00 30.89 ? 146 PRO E CA 1 ATOM 7289 C C . PRO E 1 146 ? 8.375 49.767 17.830 1.00 31.16 ? 146 PRO E C 1 ATOM 7290 O O . PRO E 1 146 ? 7.607 48.803 17.875 1.00 31.63 ? 146 PRO E O 1 ATOM 7291 C CB . PRO E 1 146 ? 10.675 49.877 16.820 1.00 30.49 ? 146 PRO E CB 1 ATOM 7292 C CG . PRO E 1 146 ? 11.305 50.756 15.811 1.00 30.94 ? 146 PRO E CG 1 ATOM 7293 C CD . PRO E 1 146 ? 10.373 51.938 15.658 1.00 31.70 ? 146 PRO E CD 1 ATOM 7294 N N . ILE E 1 147 ? 8.534 50.627 18.838 1.00 31.37 ? 147 ILE E N 1 ATOM 7295 C CA . ILE E 1 147 ? 7.819 50.484 20.113 1.00 32.14 ? 147 ILE E CA 1 ATOM 7296 C C . ILE E 1 147 ? 6.301 50.506 19.920 1.00 32.96 ? 147 ILE E C 1 ATOM 7297 O O . ILE E 1 147 ? 5.580 49.759 20.582 1.00 33.72 ? 147 ILE E O 1 ATOM 7298 C CB . ILE E 1 147 ? 8.298 51.533 21.177 1.00 33.02 ? 147 ILE E CB 1 ATOM 7299 C CG1 . ILE E 1 147 ? 9.467 50.980 21.995 1.00 33.23 ? 147 ILE E CG1 1 ATOM 7300 C CG2 . ILE E 1 147 ? 7.202 51.885 22.161 1.00 34.10 ? 147 ILE E CG2 1 ATOM 7301 C CD1 . ILE E 1 147 ? 10.749 50.728 21.212 1.00 32.84 ? 147 ILE E CD1 1 ATOM 7302 N N . LYS E 1 148 ? 5.824 51.346 19.004 1.00 33.26 ? 148 LYS E N 1 ATOM 7303 C CA . LYS E 1 148 ? 4.403 51.387 18.662 1.00 34.34 ? 148 LYS E CA 1 ATOM 7304 C C . LYS E 1 148 ? 3.939 50.040 18.096 1.00 34.03 ? 148 LYS E C 1 ATOM 7305 O O . LYS E 1 148 ? 2.851 49.558 18.427 1.00 34.80 ? 148 LYS E O 1 ATOM 7306 C CB . LYS E 1 148 ? 4.119 52.523 17.671 1.00 35.05 ? 148 LYS E CB 1 ATOM 7307 C CG . LYS E 1 148 ? 2.678 52.597 17.171 1.00 36.62 ? 148 LYS E CG 1 ATOM 7308 C CD . LYS E 1 148 ? 2.493 53.701 16.140 1.00 38.44 ? 148 LYS E CD 1 ATOM 7309 C CE . LYS E 1 148 ? 2.214 55.049 16.796 1.00 40.62 ? 148 LYS E CE 1 ATOM 7310 N NZ . LYS E 1 148 ? 0.859 55.089 17.425 1.00 42.79 ? 148 LYS E NZ 1 ATOM 7311 N N . VAL E 1 149 ? 4.783 49.439 17.259 1.00 33.13 ? 149 VAL E N 1 ATOM 7312 C CA . VAL E 1 149 ? 4.484 48.154 16.622 1.00 33.41 ? 149 VAL E CA 1 ATOM 7313 C C . VAL E 1 149 ? 4.514 46.996 17.627 1.00 33.60 ? 149 VAL E C 1 ATOM 7314 O O . VAL E 1 149 ? 3.647 46.119 17.595 1.00 34.66 ? 149 VAL E O 1 ATOM 7315 C CB . VAL E 1 149 ? 5.437 47.873 15.430 1.00 32.87 ? 149 VAL E CB 1 ATOM 7316 C CG1 . VAL E 1 149 ? 5.171 46.506 14.828 1.00 33.61 ? 149 VAL E CG1 1 ATOM 7317 C CG2 . VAL E 1 149 ? 5.264 48.935 14.364 1.00 33.51 ? 149 VAL E CG2 1 ATOM 7318 N N . LEU E 1 150 ? 5.507 47.008 18.515 1.00 32.80 ? 150 LEU E N 1 ATOM 7319 C CA . LEU E 1 150 ? 5.657 45.962 19.526 1.00 33.21 ? 150 LEU E CA 1 ATOM 7320 C C . LEU E 1 150 ? 4.557 46.001 20.583 1.00 34.50 ? 150 LEU E C 1 ATOM 7321 O O . LEU E 1 150 ? 4.128 44.954 21.065 1.00 35.95 ? 150 LEU E O 1 ATOM 7322 C CB . LEU E 1 150 ? 7.039 46.027 20.187 1.00 32.56 ? 150 LEU E CB 1 ATOM 7323 C CG . LEU E 1 150 ? 8.255 45.746 19.295 1.00 31.62 ? 150 LEU E CG 1 ATOM 7324 C CD1 . LEU E 1 150 ? 9.518 46.233 19.973 1.00 31.65 ? 150 LEU E CD1 1 ATOM 7325 C CD2 . LEU E 1 150 ? 8.372 44.273 18.919 1.00 31.82 ? 150 LEU E CD2 1 ATOM 7326 N N . ASN E 1 151 ? 4.103 47.203 20.933 1.00 34.50 ? 151 ASN E N 1 ATOM 7327 C CA . ASN E 1 151 ? 2.990 47.371 21.866 1.00 36.20 ? 151 ASN E CA 1 ATOM 7328 C C . ASN E 1 151 ? 1.642 46.963 21.269 1.00 37.29 ? 151 ASN E C 1 ATOM 7329 O O . ASN E 1 151 ? 0.694 46.683 22.001 1.00 39.17 ? 151 ASN E O 1 ATOM 7330 C CB . ASN E 1 151 ? 2.928 48.809 22.389 1.00 36.65 ? 151 ASN E CB 1 ATOM 7331 C CG . ASN E 1 151 ? 4.018 49.115 23.408 1.00 36.80 ? 151 ASN E CG 1 ATOM 7332 O OD1 . ASN E 1 151 ? 4.565 48.219 24.047 1.00 37.93 ? 151 ASN E OD1 1 ATOM 7333 N ND2 . ASN E 1 151 ? 4.325 50.392 23.570 1.00 36.99 ? 151 ASN E ND2 1 ATOM 7334 N N . ALA E 1 152 ? 1.569 46.925 19.940 1.00 36.52 ? 152 ALA E N 1 ATOM 7335 C CA . ALA E 1 152 ? 0.377 46.469 19.230 1.00 37.81 ? 152 ALA E CA 1 ATOM 7336 C C . ALA E 1 152 ? 0.156 44.973 19.426 1.00 39.18 ? 152 ALA E C 1 ATOM 7337 O O . ALA E 1 152 ? -0.969 44.481 19.317 1.00 41.08 ? 152 ALA E O 1 ATOM 7338 C CB . ALA E 1 152 ? 0.493 46.789 17.753 1.00 36.99 ? 152 ALA E CB 1 ATOM 7339 N N . ASP E 1 153 ? 1.241 44.262 19.717 1.00 38.60 ? 153 ASP E N 1 ATOM 7340 C CA . ASP E 1 153 ? 1.217 42.819 19.904 1.00 40.21 ? 153 ASP E CA 1 ATOM 7341 C C . ASP E 1 153 ? 0.842 42.471 21.346 1.00 42.03 ? 153 ASP E C 1 ATOM 7342 O O . ASP E 1 153 ? 1.712 42.237 22.194 1.00 41.88 ? 153 ASP E O 1 ATOM 7343 C CB . ASP E 1 153 ? 2.583 42.232 19.531 1.00 39.12 ? 153 ASP E CB 1 ATOM 7344 C CG . ASP E 1 153 ? 2.581 40.714 19.473 1.00 41.37 ? 153 ASP E CG 1 ATOM 7345 O OD1 . ASP E 1 153 ? 1.544 40.087 19.773 1.00 43.49 ? 153 ASP E OD1 1 ATOM 7346 O OD2 . ASP E 1 153 ? 3.636 40.145 19.122 1.00 41.97 ? 153 ASP E OD2 1 ATOM 7347 N N . GLN E 1 154 ? -0.462 42.430 21.605 1.00 44.15 ? 154 GLN E N 1 ATOM 7348 C CA . GLN E 1 154 ? -0.992 42.203 22.950 1.00 46.65 ? 154 GLN E CA 1 ATOM 7349 C C . GLN E 1 154 ? -0.609 40.845 23.535 1.00 48.36 ? 154 GLN E C 1 ATOM 7350 O O . GLN E 1 154 ? -0.335 40.739 24.732 1.00 49.59 ? 154 GLN E O 1 ATOM 7351 C CB . GLN E 1 154 ? -2.510 42.393 22.967 1.00 48.96 ? 154 GLN E CB 1 ATOM 7352 C CG . GLN E 1 154 ? -2.941 43.843 22.819 1.00 48.86 ? 154 GLN E CG 1 ATOM 7353 C CD . GLN E 1 154 ? -4.442 44.023 22.915 1.00 53.30 ? 154 GLN E CD 1 ATOM 7354 O OE1 . GLN E 1 154 ? -4.934 44.745 23.785 1.00 55.68 ? 154 GLN E OE1 1 ATOM 7355 N NE2 . GLN E 1 154 ? -5.183 43.368 22.020 1.00 54.40 ? 154 GLN E NE2 1 ATOM 7356 N N . GLY E 1 155 ? -0.587 39.817 22.687 1.00 48.77 ? 155 GLY E N 1 ATOM 7357 C CA . GLY E 1 155 ? -0.163 38.481 23.090 1.00 50.69 ? 155 GLY E CA 1 ATOM 7358 C C . GLY E 1 155 ? 1.234 38.462 23.683 1.00 49.42 ? 155 GLY E C 1 ATOM 7359 O O . GLY E 1 155 ? 1.453 37.878 24.743 1.00 51.52 ? 155 GLY E O 1 ATOM 7360 N N . THR E 1 156 ? 2.178 39.110 23.004 1.00 46.50 ? 156 THR E N 1 ATOM 7361 C CA . THR E 1 156 ? 3.560 39.202 23.483 1.00 45.27 ? 156 THR E CA 1 ATOM 7362 C C . THR E 1 156 ? 3.630 39.926 24.829 1.00 45.87 ? 156 THR E C 1 ATOM 7363 O O . THR E 1 156 ? 4.464 39.597 25.673 1.00 46.58 ? 156 THR E O 1 ATOM 7364 C CB . THR E 1 156 ? 4.477 39.888 22.443 1.00 42.17 ? 156 THR E CB 1 ATOM 7365 O OG1 . THR E 1 156 ? 4.611 39.042 21.296 1.00 42.26 ? 156 THR E OG1 1 ATOM 7366 C CG2 . THR E 1 156 ? 5.861 40.153 23.014 1.00 41.00 ? 156 THR E CG2 1 ATOM 7367 N N . SER E 1 157 ? 2.740 40.895 25.026 1.00 46.03 ? 157 SER E N 1 ATOM 7368 C CA . SER E 1 157 ? 2.675 41.641 26.278 1.00 47.13 ? 157 SER E CA 1 ATOM 7369 C C . SER E 1 157 ? 2.209 40.753 27.427 1.00 50.73 ? 157 SER E C 1 ATOM 7370 O O . SER E 1 157 ? 2.818 40.741 28.498 1.00 52.02 ? 157 SER E O 1 ATOM 7371 C CB . SER E 1 157 ? 1.754 42.852 26.137 1.00 46.88 ? 157 SER E CB 1 ATOM 7372 O OG . SER E 1 157 ? 1.864 43.699 27.266 1.00 48.07 ? 157 SER E OG 1 ATOM 7373 N N . ALA E 1 158 ? 1.136 40.003 27.182 1.00 52.75 ? 158 ALA E N 1 ATOM 7374 C CA . ALA E 1 158 ? 0.568 39.081 28.165 1.00 56.72 ? 158 ALA E CA 1 ATOM 7375 C C . ALA E 1 158 ? 1.582 38.036 28.621 1.00 57.79 ? 158 ALA E C 1 ATOM 7376 O O . ALA E 1 158 ? 1.640 37.699 29.804 1.00 60.90 ? 158 ALA E O 1 ATOM 7377 C CB . ALA E 1 158 ? -0.676 38.401 27.601 1.00 58.61 ? 158 ALA E CB 1 ATOM 7378 N N . THR E 1 159 ? 2.379 37.539 27.679 1.00 55.63 ? 159 THR E N 1 ATOM 7379 C CA . THR E 1 159 ? 3.364 36.499 27.962 1.00 56.72 ? 159 THR E CA 1 ATOM 7380 C C . THR E 1 159 ? 4.579 37.047 28.724 1.00 55.60 ? 159 THR E C 1 ATOM 7381 O O . THR E 1 159 ? 5.120 36.370 29.598 1.00 57.98 ? 159 THR E O 1 ATOM 7382 C CB . THR E 1 159 ? 3.805 35.773 26.669 1.00 55.39 ? 159 THR E CB 1 ATOM 7383 O OG1 . THR E 1 159 ? 2.659 35.510 25.848 1.00 55.90 ? 159 THR E OG1 1 ATOM 7384 C CG2 . THR E 1 159 ? 4.492 34.454 26.996 1.00 58.00 ? 159 THR E CG2 1 ATOM 7385 N N . VAL E 1 160 ? 4.997 38.269 28.398 1.00 52.34 ? 160 VAL E N 1 ATOM 7386 C CA . VAL E 1 160 ? 6.094 38.922 29.118 1.00 51.45 ? 160 VAL E CA 1 ATOM 7387 C C . VAL E 1 160 ? 5.681 39.282 30.552 1.00 54.62 ? 160 VAL E C 1 ATOM 7388 O O . VAL E 1 160 ? 6.424 39.000 31.495 1.00 56.47 ? 160 VAL E O 1 ATOM 7389 C CB . VAL E 1 160 ? 6.634 40.165 28.368 1.00 47.59 ? 160 VAL E CB 1 ATOM 7390 C CG1 . VAL E 1 160 ? 7.570 40.967 29.250 1.00 47.32 ? 160 VAL E CG1 1 ATOM 7391 C CG2 . VAL E 1 160 ? 7.358 39.749 27.108 1.00 44.96 ? 160 VAL E CG2 1 ATOM 7392 N N . GLN E 1 161 ? 4.503 39.890 30.708 1.00 55.57 ? 161 GLN E N 1 ATOM 7393 C CA . GLN E 1 161 ? 3.959 40.231 32.028 1.00 59.24 ? 161 GLN E CA 1 ATOM 7394 C C . GLN E 1 161 ? 3.913 39.017 32.947 1.00 63.60 ? 161 GLN E C 1 ATOM 7395 O O . GLN E 1 161 ? 4.230 39.114 34.134 1.00 66.37 ? 161 GLN E O 1 ATOM 7396 C CB . GLN E 1 161 ? 2.550 40.814 31.905 1.00 60.13 ? 161 GLN E CB 1 ATOM 7397 C CG . GLN E 1 161 ? 2.491 42.248 31.407 1.00 57.60 ? 161 GLN E CG 1 ATOM 7398 C CD . GLN E 1 161 ? 1.067 42.765 31.294 1.00 58.77 ? 161 GLN E CD 1 ATOM 7399 O OE1 . GLN E 1 161 ? 0.353 42.886 32.292 1.00 62.41 ? 161 GLN E OE1 1 ATOM 7400 N NE2 . GLN E 1 161 ? 0.649 43.077 30.073 1.00 55.98 ? 161 GLN E NE2 1 ATOM 7401 N N . MET E 1 162 ? 3.516 37.879 32.381 1.00 64.65 ? 162 MET E N 1 ATOM 7402 C CA . MET E 1 162 ? 3.450 36.610 33.095 1.00 69.24 ? 162 MET E CA 1 ATOM 7403 C C . MET E 1 162 ? 4.835 36.149 33.572 1.00 69.56 ? 162 MET E C 1 ATOM 7404 O O . MET E 1 162 ? 4.982 35.658 34.691 1.00 73.61 ? 162 MET E O 1 ATOM 7405 C CB . MET E 1 162 ? 2.816 35.548 32.196 1.00 69.96 ? 162 MET E CB 1 ATOM 7406 C CG . MET E 1 162 ? 2.400 34.281 32.916 1.00 76.45 ? 162 MET E CG 1 ATOM 7407 S SD . MET E 1 162 ? 2.307 32.866 31.804 1.00 79.43 ? 162 MET E SD 1 ATOM 7408 C CE . MET E 1 162 ? 4.047 32.565 31.471 1.00 76.11 ? 162 MET E CE 1 ATOM 7409 N N . LEU E 1 163 ? 5.842 36.314 32.717 1.00 65.75 ? 163 LEU E N 1 ATOM 7410 C CA . LEU E 1 163 ? 7.221 35.958 33.055 1.00 65.82 ? 163 LEU E CA 1 ATOM 7411 C C . LEU E 1 163 ? 7.779 36.826 34.182 1.00 66.73 ? 163 LEU E C 1 ATOM 7412 O O . LEU E 1 163 ? 8.263 36.308 35.189 1.00 70.19 ? 163 LEU E O 1 ATOM 7413 C CB . LEU E 1 163 ? 8.124 36.050 31.817 1.00 61.60 ? 163 LEU E CB 1 ATOM 7414 C CG . LEU E 1 163 ? 7.974 34.970 30.738 1.00 61.46 ? 163 LEU E CG 1 ATOM 7415 C CD1 . LEU E 1 163 ? 8.486 35.470 29.396 1.00 57.18 ? 163 LEU E CD1 1 ATOM 7416 C CD2 . LEU E 1 163 ? 8.686 33.685 31.142 1.00 64.74 ? 163 LEU E CD2 1 ATOM 7417 N N . LEU E 1 164 ? 7.691 38.142 34.006 1.00 64.08 ? 164 LEU E N 1 ATOM 7418 C CA . LEU E 1 164 ? 8.260 39.107 34.945 1.00 64.90 ? 164 LEU E CA 1 ATOM 7419 C C . LEU E 1 164 ? 7.584 39.087 36.316 1.00 69.91 ? 164 LEU E C 1 ATOM 7420 O O . LEU E 1 164 ? 8.262 39.001 37.342 1.00 72.78 ? 164 LEU E O 1 ATOM 7421 C CB . LEU E 1 164 ? 8.220 40.520 34.350 1.00 61.38 ? 164 LEU E CB 1 ATOM 7422 C CG . LEU E 1 164 ? 9.348 41.002 33.422 1.00 57.40 ? 164 LEU E CG 1 ATOM 7423 C CD1 . LEU E 1 164 ? 9.632 40.041 32.269 1.00 55.48 ? 164 LEU E CD1 1 ATOM 7424 C CD2 . LEU E 1 164 ? 9.038 42.401 32.886 1.00 54.39 ? 164 LEU E CD2 1 ATOM 7425 N N . ASN E 1 165 ? 6.254 39.153 36.329 1.00 71.30 ? 165 ASN E N 1 ATOM 7426 C CA . ASN E 1 165 ? 5.499 39.214 37.582 1.00 76.50 ? 165 ASN E CA 1 ATOM 7427 C C . ASN E 1 165 ? 5.476 37.905 38.366 1.00 81.27 ? 165 ASN E C 1 ATOM 7428 O O . ASN E 1 165 ? 5.798 37.885 39.555 1.00 85.28 ? 165 ASN E O 1 ATOM 7429 C CB . ASN E 1 165 ? 4.061 39.678 37.332 1.00 76.92 ? 165 ASN E CB 1 ATOM 7430 C CG . ASN E 1 165 ? 3.982 41.081 36.760 1.00 73.42 ? 165 ASN E CG 1 ATOM 7431 O OD1 . ASN E 1 165 ? 4.983 41.655 36.323 1.00 69.72 ? 165 ASN E OD1 1 ATOM 7432 N ND2 . ASN E 1 165 ? 2.774 41.638 36.761 1.00 75.00 ? 165 ASN E ND2 1 ATOM 7433 N N . ASP E 1 166 ? 5.102 36.821 37.689 1.00 81.20 ? 166 ASP E N 1 ATOM 7434 C CA . ASP E 1 166 ? 4.819 35.545 38.345 1.00 86.38 ? 166 ASP E CA 1 ATOM 7435 C C . ASP E 1 166 ? 5.931 34.506 38.185 1.00 86.47 ? 166 ASP E C 1 ATOM 7436 O O . ASP E 1 166 ? 6.434 33.984 39.179 1.00 90.63 ? 166 ASP E O 1 ATOM 7437 C CB . ASP E 1 166 ? 3.484 34.972 37.846 1.00 87.75 ? 166 ASP E CB 1 ATOM 7438 C CG . ASP E 1 166 ? 2.333 35.968 37.956 1.00 88.12 ? 166 ASP E CG 1 ATOM 7439 O OD1 . ASP E 1 166 ? 2.226 36.665 38.989 1.00 91.02 ? 166 ASP E OD1 1 ATOM 7440 O OD2 . ASP E 1 166 ? 1.525 36.046 37.006 1.00 86.07 ? 166 ASP E OD2 1 ATOM 7441 N N . THR E 1 167 ? 6.309 34.217 36.941 1.00 82.36 ? 167 THR E N 1 ATOM 7442 C CA . THR E 1 167 ? 7.257 33.137 36.637 1.00 82.72 ? 167 THR E CA 1 ATOM 7443 C C . THR E 1 167 ? 8.675 33.373 37.174 1.00 82.43 ? 167 THR E C 1 ATOM 7444 O O . THR E 1 167 ? 9.324 32.425 37.613 1.00 85.60 ? 167 THR E O 1 ATOM 7445 C CB . THR E 1 167 ? 7.302 32.812 35.121 1.00 78.68 ? 167 THR E CB 1 ATOM 7446 O OG1 . THR E 1 167 ? 5.968 32.637 34.627 1.00 79.30 ? 167 THR E OG1 1 ATOM 7447 C CG2 . THR E 1 167 ? 8.093 31.534 34.856 1.00 80.21 ? 167 THR E CG2 1 ATOM 7448 N N . CYS E 1 168 ? 9.148 34.619 37.154 1.00 79.19 ? 168 CYS E N 1 ATOM 7449 C CA . CYS E 1 168 ? 10.495 34.924 37.655 1.00 79.26 ? 168 CYS E CA 1 ATOM 7450 C C . CYS E 1 168 ? 10.663 34.635 39.158 1.00 85.09 ? 168 CYS E C 1 ATOM 7451 O O . CYS E 1 168 ? 11.531 33.838 39.529 1.00 87.41 ? 168 CYS E O 1 ATOM 7452 C CB . CYS E 1 168 ? 10.930 36.359 37.319 1.00 75.06 ? 168 CYS E CB 1 ATOM 7453 S SG . CYS E 1 168 ? 12.738 36.622 37.375 1.00 74.09 ? 168 CYS E SG 1 ATOM 7454 N N . PRO E 1 169 ? 9.842 35.272 40.025 1.00 87.87 ? 169 PRO E N 1 ATOM 7455 C CA . PRO E 1 169 ? 9.967 34.994 41.456 1.00 93.98 ? 169 PRO E CA 1 ATOM 7456 C C . PRO E 1 169 ? 9.658 33.545 41.824 1.00 98.97 ? 169 PRO E C 1 ATOM 7457 O O . PRO E 1 169 ? 10.292 32.997 42.729 1.00 103.47 ? 169 PRO E O 1 ATOM 7458 C CB . PRO E 1 169 ? 8.941 35.940 42.086 1.00 95.77 ? 169 PRO E CB 1 ATOM 7459 C CG . PRO E 1 169 ? 8.822 37.049 41.115 1.00 89.99 ? 169 PRO E CG 1 ATOM 7460 C CD . PRO E 1 169 ? 8.892 36.374 39.782 1.00 85.83 ? 169 PRO E CD 1 ATOM 7461 N N . LEU E 1 170 ? 8.709 32.926 41.122 1.00 98.61 ? 170 LEU E N 1 ATOM 7462 C CA . LEU E 1 170 ? 8.361 31.522 41.369 1.00 103.59 ? 170 LEU E CA 1 ATOM 7463 C C . LEU E 1 170 ? 9.330 30.570 40.656 1.00 102.17 ? 170 LEU E C 1 ATOM 7464 O O . LEU E 1 170 ? 8.947 29.484 40.209 1.00 103.97 ? 170 LEU E O 1 ATOM 7465 C CB . LEU E 1 170 ? 6.905 31.236 40.975 1.00 104.52 ? 170 LEU E CB 1 ATOM 7466 N N . PHE E 1 171 ? 10.587 30.994 40.565 1.00 99.40 ? 171 PHE E N 1 ATOM 7467 C CA . PHE E 1 171 ? 11.654 30.205 39.961 1.00 98.26 ? 171 PHE E CA 1 ATOM 7468 C C . PHE E 1 171 ? 12.962 30.493 40.692 1.00 99.19 ? 171 PHE E C 1 ATOM 7469 O O . PHE E 1 171 ? 13.703 29.571 41.042 1.00 102.52 ? 171 PHE E O 1 ATOM 7470 C CB . PHE E 1 171 ? 11.782 30.538 38.471 1.00 91.84 ? 171 PHE E CB 1 ATOM 7471 C CG . PHE E 1 171 ? 12.718 29.635 37.718 1.00 91.34 ? 171 PHE E CG 1 ATOM 7472 C CD1 . PHE E 1 171 ? 12.289 28.389 37.263 1.00 93.94 ? 171 PHE E CD1 1 ATOM 7473 C CD2 . PHE E 1 171 ? 14.026 30.037 37.445 1.00 88.61 ? 171 PHE E CD2 1 ATOM 7474 C CE1 . PHE E 1 171 ? 13.153 27.552 36.556 1.00 94.07 ? 171 PHE E CE1 1 ATOM 7475 C CE2 . PHE E 1 171 ? 14.900 29.208 36.740 1.00 88.26 ? 171 PHE E CE2 1 ATOM 7476 C CZ . PHE E 1 171 ? 14.463 27.963 36.294 1.00 91.07 ? 171 PHE E CZ 1 ATOM 7477 N N . VAL E 1 172 ? 13.227 31.780 40.918 1.00 96.53 ? 172 VAL E N 1 ATOM 7478 C CA . VAL E 1 172 ? 14.412 32.231 41.647 1.00 97.50 ? 172 VAL E CA 1 ATOM 7479 C C . VAL E 1 172 ? 14.350 31.803 43.113 1.00 104.56 ? 172 VAL E C 1 ATOM 7480 O O . VAL E 1 172 ? 15.358 31.376 43.674 1.00 107.51 ? 172 VAL E O 1 ATOM 7481 C CB . VAL E 1 172 ? 14.632 33.770 41.519 1.00 93.46 ? 172 VAL E CB 1 ATOM 7482 C CG1 . VAL E 1 172 ? 13.545 34.557 42.249 1.00 95.49 ? 172 VAL E CG1 1 ATOM 7483 C CG2 . VAL E 1 172 ? 16.017 34.167 42.021 1.00 94.13 ? 172 VAL E CG2 1 ATOM 7484 N N . ARG E 1 173 ? 13.163 31.904 43.714 1.00 107.61 ? 173 ARG E N 1 ATOM 7485 C CA . ARG E 1 173 ? 12.946 31.451 45.090 1.00 114.99 ? 173 ARG E CA 1 ATOM 7486 C C . ARG E 1 173 ? 13.135 29.938 45.182 1.00 119.15 ? 173 ARG E C 1 ATOM 7487 O O . ARG E 1 173 ? 13.580 29.419 46.211 1.00 125.07 ? 173 ARG E O 1 ATOM 7488 C CB . ARG E 1 173 ? 11.552 31.855 45.591 1.00 117.54 ? 173 ARG E CB 1 ATOM 7489 C CG . ARG E 1 173 ? 11.371 33.351 45.861 1.00 115.44 ? 173 ARG E CG 1 ATOM 7490 C CD . ARG E 1 173 ? 11.994 33.777 47.186 1.00 120.47 ? 173 ARG E CD 1 ATOM 7491 N N . GLY E 1 174 ? 12.797 29.245 44.095 1.00 116.30 ? 174 GLY E N 1 ATOM 7492 C CA . GLY E 1 174 ? 13.057 27.815 43.961 1.00 119.58 ? 174 GLY E CA 1 ATOM 7493 C C . GLY E 1 174 ? 14.538 27.544 43.787 1.00 118.44 ? 174 GLY E C 1 ATOM 7494 O O . GLY E 1 174 ? 15.074 26.591 44.358 1.00 123.60 ? 174 GLY E O 1 ATOM 7495 N N . LEU E 1 175 ? 15.197 28.394 42.998 1.00 111.98 ? 175 LEU E N 1 ATOM 7496 C CA . LEU E 1 175 ? 16.639 28.302 42.764 1.00 110.42 ? 175 LEU E CA 1 ATOM 7497 C C . LEU E 1 175 ? 17.443 28.608 44.029 1.00 114.52 ? 175 LEU E C 1 ATOM 7498 O O . LEU E 1 175 ? 18.465 27.970 44.286 1.00 117.20 ? 175 LEU E O 1 ATOM 7499 C CB . LEU E 1 175 ? 17.060 29.237 41.628 1.00 102.92 ? 175 LEU E CB 1 ATOM 7500 N N . LEU E 1 176 ? 16.968 29.576 44.813 1.00 115.38 ? 176 LEU E N 1 ATOM 7501 C CA . LEU E 1 176 ? 17.614 29.962 46.071 1.00 119.83 ? 176 LEU E CA 1 ATOM 7502 C C . LEU E 1 176 ? 17.473 28.905 47.171 1.00 128.01 ? 176 LEU E C 1 ATOM 7503 O O . LEU E 1 176 ? 18.355 28.776 48.024 1.00 132.23 ? 176 LEU E O 1 ATOM 7504 C CB . LEU E 1 176 ? 17.083 31.314 46.567 1.00 118.97 ? 176 LEU E CB 1 ATOM 7505 C CG . LEU E 1 176 ? 17.458 32.585 45.795 1.00 112.10 ? 176 LEU E CG 1 ATOM 7506 C CD1 . LEU E 1 176 ? 16.582 33.745 46.240 1.00 112.13 ? 176 LEU E CD1 1 ATOM 7507 C CD2 . LEU E 1 176 ? 18.929 32.940 45.959 1.00 111.57 ? 176 LEU E CD2 1 ATOM 7508 N N . GLU E 1 177 ? 16.364 28.164 47.150 1.00 130.54 ? 177 GLU E N 1 ATOM 7509 C CA . GLU E 1 177 ? 16.149 27.048 48.079 1.00 138.67 ? 177 GLU E CA 1 ATOM 7510 C C . GLU E 1 177 ? 17.097 25.892 47.778 1.00 140.32 ? 177 GLU E C 1 ATOM 7511 O O . GLU E 1 177 ? 17.680 25.304 48.692 1.00 146.61 ? 177 GLU E O 1 ATOM 7512 C CB . GLU E 1 177 ? 14.703 26.545 48.012 1.00 140.92 ? 177 GLU E CB 1 ATOM 7513 C CG . GLU E 1 177 ? 13.694 27.368 48.799 1.00 143.18 ? 177 GLU E CG 1 ATOM 7514 C CD . GLU E 1 177 ? 12.322 26.717 48.848 1.00 146.55 ? 177 GLU E CD 1 ATOM 7515 O OE1 . GLU E 1 177 ? 12.220 25.571 49.336 1.00 153.03 ? 177 GLU E OE1 1 ATOM 7516 O OE2 . GLU E 1 177 ? 11.343 27.355 48.404 1.00 142.95 ? 177 GLU E OE2 1 ATOM 7517 N N . ALA E 1 178 ? 17.242 25.578 46.492 1.00 134.97 ? 178 ALA E N 1 ATOM 7518 C CA . ALA E 1 178 ? 18.067 24.460 46.042 1.00 136.33 ? 178 ALA E CA 1 ATOM 7519 C C . ALA E 1 178 ? 19.562 24.791 46.027 1.00 134.62 ? 178 ALA E C 1 ATOM 7520 O O . ALA E 1 178 ? 20.394 23.920 46.292 1.00 138.83 ? 178 ALA E O 1 ATOM 7521 C CB . ALA E 1 178 ? 17.609 23.984 44.669 1.00 131.90 ? 178 ALA E CB 1 ATOM 7522 N N . GLY E 1 179 ? 19.895 26.045 45.727 1.00 128.89 ? 179 GLY E N 1 ATOM 7523 C CA . GLY E 1 179 ? 21.289 26.477 45.647 1.00 126.89 ? 179 GLY E CA 1 ATOM 7524 C C . GLY E 1 179 ? 21.840 27.125 46.904 1.00 130.73 ? 179 GLY E C 1 ATOM 7525 O O . GLY E 1 179 ? 22.730 27.974 46.825 1.00 127.91 ? 179 GLY E O 1 ATOM 7526 N N . LYS E 1 180 ? 21.323 26.716 48.062 1.00 137.65 ? 180 LYS E N 1 ATOM 7527 C CA . LYS E 1 180 ? 21.738 27.266 49.353 1.00 142.50 ? 180 LYS E CA 1 ATOM 7528 C C . LYS E 1 180 ? 23.223 27.038 49.634 1.00 144.65 ? 180 LYS E C 1 ATOM 7529 O O . LYS E 1 180 ? 23.924 27.953 50.072 1.00 144.36 ? 180 LYS E O 1 ATOM 7530 C CB . LYS E 1 180 ? 20.892 26.672 50.486 1.00 150.39 ? 180 LYS E CB 1 ATOM 7531 N N . SER E 1 181 ? 23.692 25.822 49.363 1.00 147.04 ? 181 SER E N 1 ATOM 7532 C CA . SER E 1 181 ? 25.061 25.413 49.683 1.00 150.19 ? 181 SER E CA 1 ATOM 7533 C C . SER E 1 181 ? 26.122 26.092 48.816 1.00 143.85 ? 181 SER E C 1 ATOM 7534 O O . SER E 1 181 ? 27.178 26.482 49.316 1.00 145.58 ? 181 SER E O 1 ATOM 7535 C CB . SER E 1 181 ? 25.201 23.890 49.594 1.00 154.92 ? 181 SER E CB 1 ATOM 7536 N N . ASP E 1 182 ? 25.836 26.227 47.523 1.00 136.99 ? 182 ASP E N 1 ATOM 7537 C CA . ASP E 1 182 ? 26.769 26.848 46.578 1.00 131.04 ? 182 ASP E CA 1 ATOM 7538 C C . ASP E 1 182 ? 26.973 28.342 46.837 1.00 128.10 ? 182 ASP E C 1 ATOM 7539 O O . ASP E 1 182 ? 28.111 28.814 46.877 1.00 127.69 ? 182 ASP E O 1 ATOM 7540 C CB . ASP E 1 182 ? 26.330 26.601 45.129 1.00 124.98 ? 182 ASP E CB 1 ATOM 7541 C CG . ASP E 1 182 ? 26.616 25.180 44.663 1.00 127.45 ? 182 ASP E CG 1 ATOM 7542 O OD1 . ASP E 1 182 ? 27.003 25.009 43.489 1.00 122.88 ? 182 ASP E OD1 1 ATOM 7543 O OD2 . ASP E 1 182 ? 26.460 24.235 45.467 1.00 133.94 ? 182 ASP E OD2 1 ATOM 7544 N N . LEU E 1 183 ? 25.872 29.071 47.025 1.00 126.52 ? 183 LEU E N 1 ATOM 7545 C CA . LEU E 1 183 ? 25.920 30.506 47.325 1.00 124.39 ? 183 LEU E CA 1 ATOM 7546 C C . LEU E 1 183 ? 26.609 30.815 48.662 1.00 130.62 ? 183 LEU E C 1 ATOM 7547 O O . LEU E 1 183 ? 27.227 31.871 48.815 1.00 129.42 ? 183 LEU E O 1 ATOM 7548 C CB . LEU E 1 183 ? 24.512 31.114 47.307 1.00 122.30 ? 183 LEU E CB 1 ATOM 7549 C CG . LEU E 1 183 ? 23.729 31.147 45.987 1.00 115.73 ? 183 LEU E CG 1 ATOM 7550 C CD1 . LEU E 1 183 ? 22.240 31.267 46.255 1.00 116.16 ? 183 LEU E CD1 1 ATOM 7551 C CD2 . LEU E 1 183 ? 24.198 32.268 45.063 1.00 109.08 ? 183 LEU E CD2 1 ATOM 7552 N N . GLU E 1 184 ? 26.504 29.892 49.617 1.00 137.69 ? 184 GLU E N 1 ATOM 7553 C CA . GLU E 1 184 ? 27.109 30.066 50.942 1.00 144.54 ? 184 GLU E CA 1 ATOM 7554 C C . GLU E 1 184 ? 28.451 29.344 51.094 1.00 147.83 ? 184 GLU E C 1 ATOM 7555 O O . GLU E 1 184 ? 28.929 29.138 52.213 1.00 154.71 ? 184 GLU E O 1 ATOM 7556 C CB . GLU E 1 184 ? 26.135 29.629 52.044 1.00 151.32 ? 184 GLU E CB 1 ATOM 7557 C CG . GLU E 1 184 ? 25.034 30.643 52.345 1.00 150.38 ? 184 GLU E CG 1 ATOM 7558 C CD . GLU E 1 184 ? 23.970 30.110 53.294 1.00 157.09 ? 184 GLU E CD 1 ATOM 7559 O OE1 . GLU E 1 184 ? 24.291 29.270 54.162 1.00 164.15 ? 184 GLU E OE1 1 ATOM 7560 O OE2 . GLU E 1 184 ? 22.803 30.540 53.172 1.00 155.56 ? 184 GLU E OE2 1 ATOM 7561 N N . LYS E 1 185 ? 29.058 28.970 49.968 1.00 143.19 ? 185 LYS E N 1 ATOM 7562 C CA . LYS E 1 185 ? 30.364 28.311 49.981 1.00 145.87 ? 185 LYS E CA 1 ATOM 7563 C C . LYS E 1 185 ? 31.483 29.326 50.213 1.00 145.34 ? 185 LYS E C 1 ATOM 7564 O O . LYS E 1 185 ? 31.741 30.183 49.363 1.00 139.09 ? 185 LYS E O 1 ATOM 7565 C CB . LYS E 1 185 ? 30.598 27.535 48.681 1.00 141.62 ? 185 LYS E CB 1 ATOM 7566 N N . GLN E 1 186 ? 32.125 29.227 51.376 1.00 158.39 ? 186 GLN E N 1 ATOM 7567 C CA . GLN E 1 186 ? 33.249 30.094 51.737 1.00 157.53 ? 186 GLN E CA 1 ATOM 7568 C C . GLN E 1 186 ? 34.574 29.526 51.234 1.00 156.14 ? 186 GLN E C 1 ATOM 7569 O O . GLN E 1 186 ? 34.818 28.322 51.329 1.00 160.15 ? 186 GLN E O 1 ATOM 7570 C CB . GLN E 1 186 ? 33.306 30.297 53.255 1.00 165.43 ? 186 GLN E CB 1 ATOM 7571 C CG . GLN E 1 186 ? 32.611 31.561 53.757 1.00 165.36 ? 186 GLN E CG 1 ATOM 7572 C CD . GLN E 1 186 ? 33.540 32.766 53.840 1.00 162.56 ? 186 GLN E CD 1 ATOM 7573 O OE1 . GLN E 1 186 ? 33.167 33.875 53.461 1.00 158.70 ? 186 GLN E OE1 1 ATOM 7574 N NE2 . GLN E 1 186 ? 34.753 32.554 54.344 1.00 165.44 ? 186 GLN E NE2 1 ATOM 7575 N N . GLU E 1 187 ? 35.420 30.399 50.692 1.00 151.25 ? 187 GLU E N 1 ATOM 7576 C CA . GLU E 1 187 ? 36.750 30.007 50.227 1.00 150.51 ? 187 GLU E CA 1 ATOM 7577 C C . GLU E 1 187 ? 37.812 30.966 50.756 1.00 151.82 ? 187 GLU E C 1 ATOM 7578 O O . GLU E 1 187 ? 37.621 32.183 50.749 1.00 148.98 ? 187 GLU E O 1 ATOM 7579 C CB . GLU E 1 187 ? 36.808 29.945 48.694 1.00 143.14 ? 187 GLU E CB 1 ATOM 7580 C CG . GLU E 1 187 ? 35.909 28.889 48.044 1.00 142.11 ? 187 GLU E CG 1 ATOM 7581 C CD . GLU E 1 187 ? 36.255 27.465 48.455 1.00 148.11 ? 187 GLU E CD 1 ATOM 7582 O OE1 . GLU E 1 187 ? 37.447 27.091 48.391 1.00 149.72 ? 187 GLU E OE1 1 ATOM 7583 O OE2 . GLU E 1 187 ? 35.328 26.717 48.839 1.00 151.73 ? 187 GLU E OE2 1 ATOM 7584 N N . TRP E 1 192 ? 50.488 35.387 47.221 1.00 160.32 ? 192 TRP E N 1 ATOM 7585 C CA . TRP E 1 192 ? 51.841 35.636 46.735 1.00 164.12 ? 192 TRP E CA 1 ATOM 7586 C C . TRP E 1 192 ? 52.056 37.110 46.394 1.00 161.64 ? 192 TRP E C 1 ATOM 7587 O O . TRP E 1 192 ? 51.187 37.756 45.798 1.00 154.64 ? 192 TRP E O 1 ATOM 7588 C CB . TRP E 1 192 ? 52.148 34.757 45.520 1.00 162.30 ? 192 TRP E CB 1 ATOM 7589 N N . LEU E 1 193 ? 53.223 37.626 46.775 1.00 168.27 ? 193 LEU E N 1 ATOM 7590 C CA . LEU E 1 193 ? 53.560 39.039 46.594 1.00 167.87 ? 193 LEU E CA 1 ATOM 7591 C C . LEU E 1 193 ? 54.558 39.273 45.457 1.00 168.72 ? 193 LEU E C 1 ATOM 7592 O O . LEU E 1 193 ? 55.341 38.384 45.109 1.00 172.45 ? 193 LEU E O 1 ATOM 7593 C CB . LEU E 1 193 ? 54.100 39.626 47.901 1.00 175.41 ? 193 LEU E CB 1 ATOM 7594 N N . SER E 1 194 ? 54.517 40.477 44.888 1.00 166.04 ? 194 SER E N 1 ATOM 7595 C CA . SER E 1 194 ? 55.401 40.874 43.790 1.00 167.35 ? 194 SER E CA 1 ATOM 7596 C C . SER E 1 194 ? 55.657 42.383 43.800 1.00 169.01 ? 194 SER E C 1 ATOM 7597 O O . SER E 1 194 ? 54.975 43.129 44.504 1.00 167.69 ? 194 SER E O 1 ATOM 7598 C CB . SER E 1 194 ? 54.810 40.446 42.442 1.00 160.55 ? 194 SER E CB 1 ATOM 7599 N N . SER E 1 195 ? 56.642 42.823 43.016 1.00 172.62 ? 195 SER E N 1 ATOM 7600 C CA . SER E 1 195 ? 57.014 44.238 42.952 1.00 175.61 ? 195 SER E CA 1 ATOM 7601 C C . SER E 1 195 ? 57.454 44.654 41.550 1.00 175.49 ? 195 SER E C 1 ATOM 7602 O O . SER E 1 195 ? 58.385 44.076 40.987 1.00 179.23 ? 195 SER E O 1 ATOM 7603 C CB . SER E 1 195 ? 58.120 44.550 43.967 1.00 184.89 ? 195 SER E CB 1 ATOM 7604 O OG . SER E 1 195 ? 59.283 43.783 43.710 1.00 190.83 ? 195 SER E OG 1 ATOM 7605 N N . VAL E 1 196 ? 56.782 45.665 41.002 1.00 172.17 ? 196 VAL E N 1 ATOM 7606 C CA . VAL E 1 196 ? 57.079 46.176 39.663 1.00 172.68 ? 196 VAL E CA 1 ATOM 7607 C C . VAL E 1 196 ? 57.832 47.509 39.710 1.00 179.53 ? 196 VAL E C 1 ATOM 7608 O O . VAL E 1 196 ? 57.475 48.392 40.492 1.00 180.57 ? 196 VAL E O 1 ATOM 7609 C CB . VAL E 1 196 ? 55.791 46.354 38.831 1.00 165.45 ? 196 VAL E CB 1 ATOM 7610 N N . PRO E 1 197 ? 58.881 47.655 38.876 1.00 184.95 ? 197 PRO E N 1 ATOM 7611 C CA . PRO E 1 197 ? 59.621 48.916 38.794 1.00 192.23 ? 197 PRO E CA 1 ATOM 7612 C C . PRO E 1 197 ? 58.851 49.975 38.007 1.00 190.21 ? 197 PRO E C 1 ATOM 7613 O O . PRO E 1 197 ? 57.873 50.530 38.510 1.00 186.83 ? 197 PRO E O 1 ATOM 7614 C CB . PRO E 1 197 ? 60.904 48.532 38.038 1.00 198.54 ? 197 PRO E CB 1 ATOM 7615 C CG . PRO E 1 197 ? 60.925 47.032 37.999 1.00 195.36 ? 197 PRO E CG 1 ATOM 7616 C CD . PRO E 1 197 ? 59.497 46.614 38.035 1.00 185.70 ? 197 PRO E CD 1 ATOM 7617 N N . LEU E 1 206 ? 55.013 47.185 43.539 1.00 170.69 ? 206 LEU E N 1 ATOM 7618 C CA . LEU E 1 206 ? 54.478 46.528 44.726 1.00 169.88 ? 206 LEU E CA 1 ATOM 7619 C C . LEU E 1 206 ? 53.042 46.065 44.495 1.00 162.06 ? 206 LEU E C 1 ATOM 7620 O O . LEU E 1 206 ? 52.163 46.875 44.193 1.00 159.19 ? 206 LEU E O 1 ATOM 7621 C CB . LEU E 1 206 ? 54.549 47.463 45.937 1.00 175.04 ? 206 LEU E CB 1 ATOM 7622 N N . VAL E 1 207 ? 52.817 44.759 44.636 1.00 159.61 ? 207 VAL E N 1 ATOM 7623 C CA . VAL E 1 207 ? 51.504 44.156 44.398 1.00 152.77 ? 207 VAL E CA 1 ATOM 7624 C C . VAL E 1 207 ? 51.320 42.837 45.148 1.00 152.84 ? 207 VAL E C 1 ATOM 7625 O O . VAL E 1 207 ? 52.269 42.068 45.320 1.00 156.89 ? 207 VAL E O 1 ATOM 7626 C CB . VAL E 1 207 ? 51.259 43.908 42.890 1.00 147.89 ? 207 VAL E CB 1 ATOM 7627 N N . CYS E 1 208 ? 50.090 42.589 45.589 1.00 149.25 ? 208 CYS E N 1 ATOM 7628 C CA . CYS E 1 208 ? 49.723 41.330 46.230 1.00 149.37 ? 208 CYS E CA 1 ATOM 7629 C C . CYS E 1 208 ? 48.481 40.756 45.557 1.00 142.65 ? 208 CYS E C 1 ATOM 7630 O O . CYS E 1 208 ? 47.457 41.436 45.449 1.00 139.33 ? 208 CYS E O 1 ATOM 7631 C CB . CYS E 1 208 ? 49.472 41.536 47.726 1.00 153.75 ? 208 CYS E CB 1 ATOM 7632 N N . HIS E 1 209 ? 48.581 39.509 45.098 1.00 141.46 ? 209 HIS E N 1 ATOM 7633 C CA . HIS E 1 209 ? 47.477 38.860 44.384 1.00 135.66 ? 209 HIS E CA 1 ATOM 7634 C C . HIS E 1 209 ? 46.865 37.668 45.127 1.00 136.42 ? 209 HIS E C 1 ATOM 7635 O O . HIS E 1 209 ? 47.564 36.711 45.474 1.00 140.56 ? 209 HIS E O 1 ATOM 7636 C CB . HIS E 1 209 ? 47.879 38.479 42.948 1.00 133.02 ? 209 HIS E CB 1 ATOM 7637 C CG . HIS E 1 209 ? 49.231 37.842 42.828 1.00 137.71 ? 209 HIS E CG 1 ATOM 7638 N ND1 . HIS E 1 209 ? 49.416 36.476 42.852 1.00 139.49 ? 209 HIS E ND1 1 ATOM 7639 C CD2 . HIS E 1 209 ? 50.460 38.384 42.655 1.00 141.92 ? 209 HIS E CD2 1 ATOM 7640 C CE1 . HIS E 1 209 ? 50.702 36.205 42.713 1.00 144.59 ? 209 HIS E CE1 1 ATOM 7641 N NE2 . HIS E 1 209 ? 51.357 37.345 42.593 1.00 146.06 ? 209 HIS E NE2 1 ATOM 7642 N N . VAL E 1 210 ? 45.555 37.751 45.369 1.00 133.28 ? 210 VAL E N 1 ATOM 7643 C CA . VAL E 1 210 ? 44.791 36.684 46.025 1.00 133.99 ? 210 VAL E CA 1 ATOM 7644 C C . VAL E 1 210 ? 43.953 35.939 44.985 1.00 128.86 ? 210 VAL E C 1 ATOM 7645 O O . VAL E 1 210 ? 43.266 36.560 44.170 1.00 124.39 ? 210 VAL E O 1 ATOM 7646 C CB . VAL E 1 210 ? 43.865 37.231 47.143 1.00 135.53 ? 210 VAL E CB 1 ATOM 7647 C CG1 . VAL E 1 210 ? 43.412 36.105 48.071 1.00 139.12 ? 210 VAL E CG1 1 ATOM 7648 C CG2 . VAL E 1 210 ? 44.563 38.321 47.948 1.00 139.75 ? 210 VAL E CG2 1 ATOM 7649 N N . SER E 1 211 ? 44.015 34.610 45.020 1.00 130.33 ? 211 SER E N 1 ATOM 7650 C CA . SER E 1 211 ? 43.354 33.778 44.017 1.00 126.35 ? 211 SER E CA 1 ATOM 7651 C C . SER E 1 211 ? 42.618 32.597 44.636 1.00 128.54 ? 211 SER E C 1 ATOM 7652 O O . SER E 1 211 ? 43.138 31.927 45.534 1.00 134.18 ? 211 SER E O 1 ATOM 7653 C CB . SER E 1 211 ? 44.372 33.270 42.994 1.00 126.25 ? 211 SER E CB 1 ATOM 7654 O OG . SER E 1 211 ? 43.762 32.416 42.044 1.00 123.16 ? 211 SER E OG 1 ATOM 7655 N N . GLY E 1 212 ? 41.407 32.352 44.142 1.00 124.82 ? 212 GLY E N 1 ATOM 7656 C CA . GLY E 1 212 ? 40.606 31.203 44.559 1.00 126.86 ? 212 GLY E CA 1 ATOM 7657 C C . GLY E 1 212 ? 39.616 31.463 45.680 1.00 128.90 ? 212 GLY E C 1 ATOM 7658 O O . GLY E 1 212 ? 39.141 30.521 46.313 1.00 132.65 ? 212 GLY E O 1 ATOM 7659 N N . PHE E 1 213 ? 39.282 32.733 45.908 1.00 127.17 ? 213 PHE E N 1 ATOM 7660 C CA . PHE E 1 213 ? 38.449 33.119 47.048 1.00 130.18 ? 213 PHE E CA 1 ATOM 7661 C C . PHE E 1 213 ? 36.982 33.389 46.710 1.00 127.61 ? 213 PHE E C 1 ATOM 7662 O O . PHE E 1 213 ? 36.654 33.847 45.619 1.00 123.08 ? 213 PHE E O 1 ATOM 7663 C CB . PHE E 1 213 ? 39.066 34.314 47.794 1.00 132.21 ? 213 PHE E CB 1 ATOM 7664 C CG . PHE E 1 213 ? 38.842 35.646 47.125 1.00 127.95 ? 213 PHE E CG 1 ATOM 7665 C CD1 . PHE E 1 213 ? 39.655 36.059 46.073 1.00 124.60 ? 213 PHE E CD1 1 ATOM 7666 C CD2 . PHE E 1 213 ? 37.832 36.497 47.565 1.00 128.33 ? 213 PHE E CD2 1 ATOM 7667 C CE1 . PHE E 1 213 ? 39.454 37.293 45.459 1.00 122.08 ? 213 PHE E CE1 1 ATOM 7668 C CE2 . PHE E 1 213 ? 37.622 37.733 46.959 1.00 125.85 ? 213 PHE E CE2 1 ATOM 7669 C CZ . PHE E 1 213 ? 38.434 38.132 45.904 1.00 122.83 ? 213 PHE E CZ 1 ATOM 7670 N N . TYR E 1 214 ? 36.112 33.095 47.672 1.00 131.66 ? 214 TYR E N 1 ATOM 7671 C CA . TYR E 1 214 ? 34.680 33.345 47.561 1.00 131.03 ? 214 TYR E CA 1 ATOM 7672 C C . TYR E 1 214 ? 34.142 33.710 48.945 1.00 136.63 ? 214 TYR E C 1 ATOM 7673 O O . TYR E 1 214 ? 34.567 33.120 49.942 1.00 141.64 ? 214 TYR E O 1 ATOM 7674 C CB . TYR E 1 214 ? 33.964 32.106 47.015 1.00 130.64 ? 214 TYR E CB 1 ATOM 7675 C CG . TYR E 1 214 ? 32.656 32.407 46.319 1.00 128.34 ? 214 TYR E CG 1 ATOM 7676 C CD1 . TYR E 1 214 ? 31.438 32.107 46.920 1.00 132.10 ? 214 TYR E CD1 1 ATOM 7677 C CD2 . TYR E 1 214 ? 32.637 32.999 45.060 1.00 123.37 ? 214 TYR E CD2 1 ATOM 7678 C CE1 . TYR E 1 214 ? 30.233 32.386 46.283 1.00 131.13 ? 214 TYR E CE1 1 ATOM 7679 C CE2 . TYR E 1 214 ? 31.441 33.284 44.415 1.00 122.60 ? 214 TYR E CE2 1 ATOM 7680 C CZ . TYR E 1 214 ? 30.243 32.974 45.031 1.00 126.46 ? 214 TYR E CZ 1 ATOM 7681 O OH . TYR E 1 214 ? 29.056 33.253 44.394 1.00 126.66 ? 214 TYR E OH 1 ATOM 7682 N N . PRO E 1 215 ? 33.215 34.689 49.021 1.00 136.75 ? 215 PRO E N 1 ATOM 7683 C CA . PRO E 1 215 ? 32.640 35.465 47.925 1.00 132.58 ? 215 PRO E CA 1 ATOM 7684 C C . PRO E 1 215 ? 33.371 36.784 47.671 1.00 130.75 ? 215 PRO E C 1 ATOM 7685 O O . PRO E 1 215 ? 34.479 36.985 48.174 1.00 131.69 ? 215 PRO E O 1 ATOM 7686 C CB . PRO E 1 215 ? 31.207 35.727 48.406 1.00 136.22 ? 215 PRO E CB 1 ATOM 7687 C CG . PRO E 1 215 ? 31.253 35.587 49.918 1.00 142.28 ? 215 PRO E CG 1 ATOM 7688 C CD . PRO E 1 215 ? 32.610 35.064 50.311 1.00 142.62 ? 215 PRO E CD 1 ATOM 7689 N N . LYS E 1 216 ? 32.735 37.667 46.903 1.00 129.14 ? 216 LYS E N 1 ATOM 7690 C CA . LYS E 1 216 ? 33.322 38.944 46.480 1.00 127.97 ? 216 LYS E CA 1 ATOM 7691 C C . LYS E 1 216 ? 33.726 39.909 47.610 1.00 131.95 ? 216 LYS E C 1 ATOM 7692 O O . LYS E 1 216 ? 34.800 40.511 47.527 1.00 131.29 ? 216 LYS E O 1 ATOM 7693 C CB . LYS E 1 216 ? 32.408 39.655 45.472 1.00 127.08 ? 216 LYS E CB 1 ATOM 7694 N N . PRO E 1 217 ? 32.879 40.070 48.656 1.00 136.69 ? 217 PRO E N 1 ATOM 7695 C CA . PRO E 1 217 ? 33.234 41.014 49.725 1.00 141.07 ? 217 PRO E CA 1 ATOM 7696 C C . PRO E 1 217 ? 34.561 40.691 50.419 1.00 142.09 ? 217 PRO E C 1 ATOM 7697 O O . PRO E 1 217 ? 34.610 39.832 51.302 1.00 145.25 ? 217 PRO E O 1 ATOM 7698 C CB . PRO E 1 217 ? 32.066 40.886 50.712 1.00 146.38 ? 217 PRO E CB 1 ATOM 7699 C CG . PRO E 1 217 ? 30.933 40.404 49.894 1.00 144.69 ? 217 PRO E CG 1 ATOM 7700 C CD . PRO E 1 217 ? 31.542 39.486 48.881 1.00 139.00 ? 217 PRO E CD 1 ATOM 7701 N N . VAL E 1 218 ? 35.621 41.381 49.999 1.00 140.34 ? 218 VAL E N 1 ATOM 7702 C CA . VAL E 1 218 ? 36.956 41.242 50.584 1.00 142.12 ? 218 VAL E CA 1 ATOM 7703 C C . VAL E 1 218 ? 37.699 42.577 50.518 1.00 143.13 ? 218 VAL E C 1 ATOM 7704 O O . VAL E 1 218 ? 38.076 43.142 51.544 1.00 148.00 ? 218 VAL E O 1 ATOM 7705 C CB . VAL E 1 218 ? 37.781 40.124 49.886 1.00 138.68 ? 218 VAL E CB 1 ATOM 7706 C CG1 . VAL E 1 218 ? 39.273 40.457 49.867 1.00 139.38 ? 218 VAL E CG1 1 ATOM 7707 C CG2 . VAL E 1 218 ? 37.538 38.775 50.559 1.00 141.07 ? 218 VAL E CG2 1 ATOM 7708 N N . PHE E 1 237 ? 38.793 42.638 40.272 1.00 115.42 ? 237 PHE E N 1 ATOM 7709 C CA . PHE E 1 237 ? 37.963 41.438 40.335 1.00 113.28 ? 237 PHE E CA 1 ATOM 7710 C C . PHE E 1 237 ? 37.980 40.685 39.010 1.00 110.57 ? 237 PHE E C 1 ATOM 7711 O O . PHE E 1 237 ? 37.421 41.149 38.013 1.00 110.89 ? 237 PHE E O 1 ATOM 7712 C CB . PHE E 1 237 ? 36.524 41.791 40.727 1.00 114.99 ? 237 PHE E CB 1 ATOM 7713 C CG . PHE E 1 237 ? 36.369 42.223 42.160 1.00 117.99 ? 237 PHE E CG 1 ATOM 7714 C CD1 . PHE E 1 237 ? 36.272 41.279 43.180 1.00 118.05 ? 237 PHE E CD1 1 ATOM 7715 C CD2 . PHE E 1 237 ? 36.307 43.574 42.489 1.00 121.47 ? 237 PHE E CD2 1 ATOM 7716 C CE1 . PHE E 1 237 ? 36.125 41.675 44.508 1.00 121.59 ? 237 PHE E CE1 1 ATOM 7717 C CE2 . PHE E 1 237 ? 36.159 43.981 43.815 1.00 124.78 ? 237 PHE E CE2 1 ATOM 7718 C CZ . PHE E 1 237 ? 36.068 43.028 44.826 1.00 124.82 ? 237 PHE E CZ 1 ATOM 7719 N N . LEU E 1 238 ? 38.629 39.522 39.008 1.00 108.78 ? 238 LEU E N 1 ATOM 7720 C CA . LEU E 1 238 ? 38.785 38.714 37.798 1.00 106.67 ? 238 LEU E CA 1 ATOM 7721 C C . LEU E 1 238 ? 38.407 37.256 38.066 1.00 105.47 ? 238 LEU E C 1 ATOM 7722 O O . LEU E 1 238 ? 38.773 36.709 39.100 1.00 106.43 ? 238 LEU E O 1 ATOM 7723 C CB . LEU E 1 238 ? 40.222 38.807 37.267 1.00 106.90 ? 238 LEU E CB 1 ATOM 7724 C CG . LEU E 1 238 ? 40.903 40.180 37.172 1.00 108.95 ? 238 LEU E CG 1 ATOM 7725 C CD1 . LEU E 1 238 ? 42.381 40.022 36.860 1.00 110.05 ? 238 LEU E CD1 1 ATOM 7726 C CD2 . LEU E 1 238 ? 40.236 41.089 36.150 1.00 109.67 ? 238 LEU E CD2 1 ATOM 7727 N N . PRO E 1 239 ? 37.675 36.620 37.133 1.00 104.19 ? 239 PRO E N 1 ATOM 7728 C CA . PRO E 1 239 ? 37.168 35.265 37.356 1.00 103.80 ? 239 PRO E CA 1 ATOM 7729 C C . PRO E 1 239 ? 38.195 34.166 37.092 1.00 103.62 ? 239 PRO E C 1 ATOM 7730 O O . PRO E 1 239 ? 39.152 34.378 36.349 1.00 103.35 ? 239 PRO E O 1 ATOM 7731 C CB . PRO E 1 239 ? 36.031 35.158 36.340 1.00 103.22 ? 239 PRO E CB 1 ATOM 7732 C CG . PRO E 1 239 ? 36.465 36.019 35.219 1.00 102.96 ? 239 PRO E CG 1 ATOM 7733 C CD . PRO E 1 239 ? 37.244 37.155 35.827 1.00 103.91 ? 239 PRO E CD 1 ATOM 7734 N N . ASN E 1 240 ? 37.977 33.000 37.697 1.00 104.66 ? 240 ASN E N 1 ATOM 7735 C CA . ASN E 1 240 ? 38.802 31.818 37.455 1.00 105.76 ? 240 ASN E CA 1 ATOM 7736 C C . ASN E 1 240 ? 38.000 30.692 36.800 1.00 105.55 ? 240 ASN E C 1 ATOM 7737 O O . ASN E 1 240 ? 36.786 30.602 36.984 1.00 105.53 ? 240 ASN E O 1 ATOM 7738 C CB . ASN E 1 240 ? 39.452 31.332 38.756 1.00 108.99 ? 240 ASN E CB 1 ATOM 7739 N N . ALA E 1 241 ? 38.694 29.832 36.056 1.00 106.24 ? 241 ALA E N 1 ATOM 7740 C CA . ALA E 1 241 ? 38.076 28.772 35.245 1.00 106.47 ? 241 ALA E CA 1 ATOM 7741 C C . ALA E 1 241 ? 37.251 27.744 36.026 1.00 108.73 ? 241 ALA E C 1 ATOM 7742 O O . ALA E 1 241 ? 36.486 26.981 35.432 1.00 109.14 ? 241 ALA E O 1 ATOM 7743 C CB . ALA E 1 241 ? 39.136 28.068 34.415 1.00 107.77 ? 241 ALA E CB 1 ATOM 7744 N N . ASP E 1 242 ? 37.418 27.718 37.346 1.00 110.98 ? 242 ASP E N 1 ATOM 7745 C CA . ASP E 1 242 ? 36.643 26.829 38.207 1.00 114.12 ? 242 ASP E CA 1 ATOM 7746 C C . ASP E 1 242 ? 35.619 27.615 39.028 1.00 113.83 ? 242 ASP E C 1 ATOM 7747 O O . ASP E 1 242 ? 35.161 27.150 40.072 1.00 117.17 ? 242 ASP E O 1 ATOM 7748 C CB . ASP E 1 242 ? 37.576 26.029 39.122 1.00 118.76 ? 242 ASP E CB 1 ATOM 7749 N N . GLU E 1 243 ? 35.256 28.800 38.532 1.00 110.71 ? 243 GLU E N 1 ATOM 7750 C CA . GLU E 1 243 ? 34.354 29.728 39.228 1.00 110.92 ? 243 GLU E CA 1 ATOM 7751 C C . GLU E 1 243 ? 34.890 30.078 40.617 1.00 113.11 ? 243 GLU E C 1 ATOM 7752 O O . GLU E 1 243 ? 34.210 29.880 41.623 1.00 115.97 ? 243 GLU E O 1 ATOM 7753 C CB . GLU E 1 243 ? 32.926 29.163 39.309 1.00 112.73 ? 243 GLU E CB 1 ATOM 7754 N N . THR E 1 244 ? 36.109 30.612 40.658 1.00 112.41 ? 244 THR E N 1 ATOM 7755 C CA . THR E 1 244 ? 36.833 30.760 41.920 1.00 115.60 ? 244 THR E CA 1 ATOM 7756 C C . THR E 1 244 ? 37.325 32.181 42.228 1.00 114.69 ? 244 THR E C 1 ATOM 7757 O O . THR E 1 244 ? 37.835 32.431 43.320 1.00 117.78 ? 244 THR E O 1 ATOM 7758 C CB . THR E 1 244 ? 38.032 29.773 42.001 1.00 118.21 ? 244 THR E CB 1 ATOM 7759 O OG1 . THR E 1 244 ? 38.005 28.863 40.894 1.00 116.95 ? 244 THR E OG1 1 ATOM 7760 C CG2 . THR E 1 244 ? 37.983 28.990 43.301 1.00 123.80 ? 244 THR E CG2 1 ATOM 7761 N N . TRP E 1 245 ? 37.166 33.100 41.275 1.00 111.30 ? 245 TRP E N 1 ATOM 7762 C CA . TRP E 1 245 ? 37.609 34.503 41.411 1.00 110.91 ? 245 TRP E CA 1 ATOM 7763 C C . TRP E 1 245 ? 39.136 34.703 41.517 1.00 111.88 ? 245 TRP E C 1 ATOM 7764 O O . TRP E 1 245 ? 39.907 33.738 41.539 1.00 113.28 ? 245 TRP E O 1 ATOM 7765 C CB . TRP E 1 245 ? 36.897 35.223 42.573 1.00 113.20 ? 245 TRP E CB 1 ATOM 7766 C CG . TRP E 1 245 ? 35.437 35.545 42.342 1.00 112.91 ? 245 TRP E CG 1 ATOM 7767 C CD1 . TRP E 1 245 ? 34.372 35.023 43.017 1.00 114.99 ? 245 TRP E CD1 1 ATOM 7768 C CD2 . TRP E 1 245 ? 34.890 36.470 41.388 1.00 111.42 ? 245 TRP E CD2 1 ATOM 7769 N NE1 . TRP E 1 245 ? 33.198 35.557 42.544 1.00 114.79 ? 245 TRP E NE1 1 ATOM 7770 C CE2 . TRP E 1 245 ? 33.485 36.447 41.544 1.00 112.92 ? 245 TRP E CE2 1 ATOM 7771 C CE3 . TRP E 1 245 ? 35.449 37.311 40.414 1.00 109.82 ? 245 TRP E CE3 1 ATOM 7772 C CZ2 . TRP E 1 245 ? 32.630 37.232 40.763 1.00 113.18 ? 245 TRP E CZ2 1 ATOM 7773 C CZ3 . TRP E 1 245 ? 34.596 38.092 39.637 1.00 110.03 ? 245 TRP E CZ3 1 ATOM 7774 C CH2 . TRP E 1 245 ? 33.202 38.045 39.819 1.00 111.83 ? 245 TRP E CH2 1 ATOM 7775 N N . TYR E 1 246 ? 39.542 35.975 41.568 1.00 111.89 ? 246 TYR E N 1 ATOM 7776 C CA . TYR E 1 246 ? 40.940 36.416 41.644 1.00 113.26 ? 246 TYR E CA 1 ATOM 7777 C C . TYR E 1 246 ? 40.961 37.940 41.796 1.00 113.87 ? 246 TYR E C 1 ATOM 7778 O O . TYR E 1 246 ? 40.221 38.645 41.104 1.00 112.24 ? 246 TYR E O 1 ATOM 7779 C CB . TYR E 1 246 ? 41.716 35.998 40.385 1.00 111.59 ? 246 TYR E CB 1 ATOM 7780 C CG . TYR E 1 246 ? 43.107 36.590 40.258 1.00 113.25 ? 246 TYR E CG 1 ATOM 7781 C CD1 . TYR E 1 246 ? 44.233 35.860 40.634 1.00 115.99 ? 246 TYR E CD1 1 ATOM 7782 C CD2 . TYR E 1 246 ? 43.297 37.875 39.745 1.00 112.64 ? 246 TYR E CD2 1 ATOM 7783 C CE1 . TYR E 1 246 ? 45.512 36.398 40.514 1.00 118.35 ? 246 TYR E CE1 1 ATOM 7784 C CE2 . TYR E 1 246 ? 44.570 38.423 39.625 1.00 114.92 ? 246 TYR E CE2 1 ATOM 7785 C CZ . TYR E 1 246 ? 45.672 37.680 40.010 1.00 117.64 ? 246 TYR E CZ 1 ATOM 7786 O OH . TYR E 1 246 ? 46.931 38.222 39.885 1.00 120.66 ? 246 TYR E OH 1 ATOM 7787 N N . LEU E 1 247 ? 41.808 38.445 42.691 1.00 117.05 ? 247 LEU E N 1 ATOM 7788 C CA . LEU E 1 247 ? 41.933 39.890 42.913 1.00 118.51 ? 247 LEU E CA 1 ATOM 7789 C C . LEU E 1 247 ? 43.377 40.306 43.198 1.00 121.61 ? 247 LEU E C 1 ATOM 7790 O O . LEU E 1 247 ? 44.167 39.508 43.702 1.00 123.86 ? 247 LEU E O 1 ATOM 7791 C CB . LEU E 1 247 ? 41.015 40.342 44.053 1.00 120.49 ? 247 LEU E CB 1 ATOM 7792 N N . GLN E 1 248 ? 43.709 41.557 42.876 1.00 122.63 ? 248 GLN E N 1 ATOM 7793 C CA . GLN E 1 248 ? 45.070 42.078 43.050 1.00 126.20 ? 248 GLN E CA 1 ATOM 7794 C C . GLN E 1 248 ? 45.104 43.510 43.588 1.00 129.39 ? 248 GLN E C 1 ATOM 7795 O O . GLN E 1 248 ? 44.253 44.334 43.246 1.00 128.57 ? 248 GLN E O 1 ATOM 7796 C CB . GLN E 1 248 ? 45.850 41.998 41.732 1.00 125.08 ? 248 GLN E CB 1 ATOM 7797 N N . ALA E 1 249 ? 46.097 43.789 44.432 1.00 133.91 ? 249 ALA E N 1 ATOM 7798 C CA . ALA E 1 249 ? 46.328 45.127 44.982 1.00 137.93 ? 249 ALA E CA 1 ATOM 7799 C C . ALA E 1 249 ? 47.800 45.318 45.337 1.00 142.87 ? 249 ALA E C 1 ATOM 7800 O O . ALA E 1 249 ? 48.435 46.284 44.911 1.00 145.29 ? 249 ALA E O 1 ATOM 7801 C CB . ALA E 1 249 ? 45.450 45.365 46.204 1.00 139.61 ? 249 ALA E CB 1 ATOM 7802 N N . GLN F 2 2 ? 32.258 51.256 18.210 1.00 61.27 ? 2 GLN F N 1 ATOM 7803 C CA . GLN F 2 2 ? 33.412 50.336 18.435 1.00 59.50 ? 2 GLN F CA 1 ATOM 7804 C C . GLN F 2 2 ? 34.180 50.667 19.714 1.00 60.09 ? 2 GLN F C 1 ATOM 7805 O O . GLN F 2 2 ? 34.812 51.725 19.816 1.00 63.88 ? 2 GLN F O 1 ATOM 7806 C CB . GLN F 2 2 ? 34.367 50.355 17.235 1.00 61.61 ? 2 GLN F CB 1 ATOM 7807 C CG . GLN F 2 2 ? 33.924 49.497 16.057 1.00 61.14 ? 2 GLN F CG 1 ATOM 7808 C CD . GLN F 2 2 ? 34.903 49.526 14.888 1.00 64.57 ? 2 GLN F CD 1 ATOM 7809 O OE1 . GLN F 2 2 ? 35.780 50.391 14.806 1.00 67.70 ? 2 GLN F OE1 1 ATOM 7810 N NE2 . GLN F 2 2 ? 34.750 48.576 13.972 1.00 64.66 ? 2 GLN F NE2 1 ATOM 7811 N N . LYS F 2 3 ? 34.125 49.754 20.680 1.00 57.15 ? 3 LYS F N 1 ATOM 7812 C CA . LYS F 2 3 ? 34.893 49.880 21.917 1.00 58.02 ? 3 LYS F CA 1 ATOM 7813 C C . LYS F 2 3 ? 36.092 48.928 21.918 1.00 56.45 ? 3 LYS F C 1 ATOM 7814 O O . LYS F 2 3 ? 35.949 47.736 21.635 1.00 53.37 ? 3 LYS F O 1 ATOM 7815 C CB . LYS F 2 3 ? 33.999 49.634 23.135 1.00 57.31 ? 3 LYS F CB 1 ATOM 7816 N N . THR F 2 4 ? 37.270 49.469 22.231 1.00 59.10 ? 4 THR F N 1 ATOM 7817 C CA . THR F 2 4 ? 38.525 48.700 22.246 1.00 58.28 ? 4 THR F CA 1 ATOM 7818 C C . THR F 2 4 ? 38.612 47.734 23.444 1.00 56.51 ? 4 THR F C 1 ATOM 7819 O O . THR F 2 4 ? 38.160 48.073 24.540 1.00 58.03 ? 4 THR F O 1 ATOM 7820 C CB . THR F 2 4 ? 39.767 49.634 22.181 1.00 62.46 ? 4 THR F CB 1 ATOM 7821 O OG1 . THR F 2 4 ? 40.963 48.868 22.363 1.00 61.95 ? 4 THR F OG1 1 ATOM 7822 C CG2 . THR F 2 4 ? 39.702 50.737 23.245 1.00 66.99 ? 4 THR F CG2 1 ATOM 7823 N N . PRO F 2 5 ? 39.177 46.522 23.235 1.00 54.08 ? 5 PRO F N 1 ATOM 7824 C CA . PRO F 2 5 ? 39.217 45.541 24.322 1.00 53.09 ? 5 PRO F CA 1 ATOM 7825 C C . PRO F 2 5 ? 40.367 45.734 25.310 1.00 55.70 ? 5 PRO F C 1 ATOM 7826 O O . PRO F 2 5 ? 41.454 46.176 24.930 1.00 57.24 ? 5 PRO F O 1 ATOM 7827 C CB . PRO F 2 5 ? 39.385 44.209 23.585 1.00 50.42 ? 5 PRO F CB 1 ATOM 7828 C CG . PRO F 2 5 ? 40.099 44.551 22.344 1.00 50.68 ? 5 PRO F CG 1 ATOM 7829 C CD . PRO F 2 5 ? 39.695 45.957 21.973 1.00 52.85 ? 5 PRO F CD 1 ATOM 7830 N N . GLN F 2 6 ? 40.108 45.408 26.573 1.00 56.88 ? 6 GLN F N 1 ATOM 7831 C CA . GLN F 2 6 ? 41.148 45.356 27.594 1.00 59.79 ? 6 GLN F CA 1 ATOM 7832 C C . GLN F 2 6 ? 41.505 43.894 27.814 1.00 57.89 ? 6 GLN F C 1 ATOM 7833 O O . GLN F 2 6 ? 40.628 43.030 27.820 1.00 55.94 ? 6 GLN F O 1 ATOM 7834 C CB . GLN F 2 6 ? 40.681 45.996 28.909 1.00 63.91 ? 6 GLN F CB 1 ATOM 7835 C CG . GLN F 2 6 ? 40.109 47.415 28.786 1.00 66.66 ? 6 GLN F CG 1 ATOM 7836 C CD . GLN F 2 6 ? 41.077 48.403 28.153 1.00 69.53 ? 6 GLN F CD 1 ATOM 7837 O OE1 . GLN F 2 6 ? 42.178 48.631 28.660 1.00 73.07 ? 6 GLN F OE1 1 ATOM 7838 N NE2 . GLN F 2 6 ? 40.661 49.004 27.041 1.00 68.32 ? 6 GLN F NE2 1 ATOM 7839 N N . ILE F 2 7 ? 42.797 43.622 27.976 1.00 59.00 ? 7 ILE F N 1 ATOM 7840 C CA . ILE F 2 7 ? 43.286 42.254 28.119 1.00 57.88 ? 7 ILE F CA 1 ATOM 7841 C C . ILE F 2 7 ? 44.103 42.108 29.402 1.00 61.52 ? 7 ILE F C 1 ATOM 7842 O O . ILE F 2 7 ? 45.024 42.888 29.652 1.00 64.33 ? 7 ILE F O 1 ATOM 7843 C CB . ILE F 2 7 ? 44.125 41.811 26.888 1.00 55.68 ? 7 ILE F CB 1 ATOM 7844 C CG1 . ILE F 2 7 ? 43.391 42.148 25.582 1.00 53.47 ? 7 ILE F CG1 1 ATOM 7845 C CG2 . ILE F 2 7 ? 44.418 40.315 26.949 1.00 54.83 ? 7 ILE F CG2 1 ATOM 7846 C CD1 . ILE F 2 7 ? 44.286 42.244 24.359 1.00 53.21 ? 7 ILE F CD1 1 ATOM 7847 N N . GLN F 2 8 ? 43.746 41.115 30.216 1.00 62.29 ? 8 GLN F N 1 ATOM 7848 C CA . GLN F 2 8 ? 44.447 40.842 31.470 1.00 66.47 ? 8 GLN F CA 1 ATOM 7849 C C . GLN F 2 8 ? 44.838 39.371 31.571 1.00 65.96 ? 8 GLN F C 1 ATOM 7850 O O . GLN F 2 8 ? 43.987 38.485 31.466 1.00 64.69 ? 8 GLN F O 1 ATOM 7851 C CB . GLN F 2 8 ? 43.597 41.263 32.674 1.00 70.48 ? 8 GLN F CB 1 ATOM 7852 C CG . GLN F 2 8 ? 43.366 42.769 32.777 1.00 72.75 ? 8 GLN F CG 1 ATOM 7853 C CD . GLN F 2 8 ? 42.561 43.167 34.002 1.00 77.75 ? 8 GLN F CD 1 ATOM 7854 O OE1 . GLN F 2 8 ? 42.959 42.899 35.135 1.00 83.07 ? 8 GLN F OE1 1 ATOM 7855 N NE2 . GLN F 2 8 ? 41.428 43.826 33.778 1.00 76.71 ? 8 GLN F NE2 1 ATOM 7856 N N . VAL F 2 9 ? 46.133 39.126 31.769 1.00 67.54 ? 9 VAL F N 1 ATOM 7857 C CA . VAL F 2 9 ? 46.678 37.766 31.824 1.00 67.67 ? 9 VAL F CA 1 ATOM 7858 C C . VAL F 2 9 ? 47.226 37.444 33.216 1.00 73.08 ? 9 VAL F C 1 ATOM 7859 O O . VAL F 2 9 ? 48.043 38.189 33.759 1.00 76.17 ? 9 VAL F O 1 ATOM 7860 C CB . VAL F 2 9 ? 47.772 37.536 30.741 1.00 65.01 ? 9 VAL F CB 1 ATOM 7861 C CG1 . VAL F 2 9 ? 48.386 36.150 30.873 1.00 65.97 ? 9 VAL F CG1 1 ATOM 7862 C CG2 . VAL F 2 9 ? 47.193 37.709 29.347 1.00 60.56 ? 9 VAL F CG2 1 ATOM 7863 N N . TYR F 2 10 ? 46.768 36.326 33.776 1.00 75.01 ? 10 TYR F N 1 ATOM 7864 C CA . TYR F 2 10 ? 47.114 35.925 35.140 1.00 81.21 ? 10 TYR F CA 1 ATOM 7865 C C . TYR F 2 10 ? 47.018 34.412 35.343 1.00 82.95 ? 10 TYR F C 1 ATOM 7866 O O . TYR F 2 10 ? 46.370 33.713 34.565 1.00 79.99 ? 10 TYR F O 1 ATOM 7867 C CB . TYR F 2 10 ? 46.226 36.658 36.155 1.00 85.24 ? 10 TYR F CB 1 ATOM 7868 C CG . TYR F 2 10 ? 44.738 36.487 35.931 1.00 83.34 ? 10 TYR F CG 1 ATOM 7869 C CD1 . TYR F 2 10 ? 43.997 35.589 36.697 1.00 87.25 ? 10 TYR F CD1 1 ATOM 7870 C CD2 . TYR F 2 10 ? 44.069 37.232 34.960 1.00 78.28 ? 10 TYR F CD2 1 ATOM 7871 C CE1 . TYR F 2 10 ? 42.627 35.433 36.499 1.00 85.79 ? 10 TYR F CE1 1 ATOM 7872 C CE2 . TYR F 2 10 ? 42.704 37.079 34.751 1.00 76.67 ? 10 TYR F CE2 1 ATOM 7873 C CZ . TYR F 2 10 ? 41.991 36.182 35.525 1.00 80.36 ? 10 TYR F CZ 1 ATOM 7874 O OH . TYR F 2 10 ? 40.641 36.038 35.318 1.00 79.35 ? 10 TYR F OH 1 ATOM 7875 N N . SER F 2 11 ? 47.667 33.918 36.394 1.00 88.69 ? 11 SER F N 1 ATOM 7876 C CA . SER F 2 11 ? 47.686 32.487 36.692 1.00 91.77 ? 11 SER F CA 1 ATOM 7877 C C . SER F 2 11 ? 46.701 32.116 37.800 1.00 97.80 ? 11 SER F C 1 ATOM 7878 O O . SER F 2 11 ? 46.354 32.948 38.643 1.00 101.18 ? 11 SER F O 1 ATOM 7879 C CB . SER F 2 11 ? 49.102 32.035 37.058 1.00 94.76 ? 11 SER F CB 1 ATOM 7880 O OG . SER F 2 11 ? 49.616 32.785 38.144 1.00 99.95 ? 11 SER F OG 1 ATOM 7881 N N . ARG F 2 12 ? 46.256 30.860 37.782 1.00 99.91 ? 12 ARG F N 1 ATOM 7882 C CA . ARG F 2 12 ? 45.293 30.346 38.756 1.00 106.44 ? 12 ARG F CA 1 ATOM 7883 C C . ARG F 2 12 ? 45.928 30.145 40.135 1.00 114.90 ? 12 ARG F C 1 ATOM 7884 O O . ARG F 2 12 ? 45.369 30.561 41.153 1.00 120.50 ? 12 ARG F O 1 ATOM 7885 C CB . ARG F 2 12 ? 44.665 29.039 38.242 1.00 107.03 ? 12 ARG F CB 1 ATOM 7886 C CG . ARG F 2 12 ? 43.811 28.271 39.255 1.00 115.25 ? 12 ARG F CG 1 ATOM 7887 C CD . ARG F 2 12 ? 42.571 29.042 39.661 1.00 116.11 ? 12 ARG F CD 1 ATOM 7888 N NE . ARG F 2 12 ? 41.925 28.451 40.830 1.00 125.99 ? 12 ARG F NE 1 ATOM 7889 C CZ . ARG F 2 12 ? 42.181 28.791 42.091 1.00 132.89 ? 12 ARG F CZ 1 ATOM 7890 N NH1 . ARG F 2 12 ? 43.083 29.726 42.369 1.00 131.61 ? 12 ARG F NH1 1 ATOM 7891 N NH2 . ARG F 2 12 ? 41.532 28.192 43.079 1.00 141.79 ? 12 ARG F NH2 1 ATOM 7892 N N . HIS F 2 13 ? 47.093 29.504 40.154 1.00 116.27 ? 13 HIS F N 1 ATOM 7893 C CA . HIS F 2 13 ? 47.829 29.260 41.388 1.00 124.54 ? 13 HIS F CA 1 ATOM 7894 C C . HIS F 2 13 ? 49.090 30.125 41.414 1.00 123.01 ? 13 HIS F C 1 ATOM 7895 O O . HIS F 2 13 ? 49.565 30.544 40.355 1.00 115.66 ? 13 HIS F O 1 ATOM 7896 C CB . HIS F 2 13 ? 48.181 27.773 41.505 1.00 128.96 ? 13 HIS F CB 1 ATOM 7897 C CG . HIS F 2 13 ? 46.994 26.863 41.420 1.00 131.47 ? 13 HIS F CG 1 ATOM 7898 N ND1 . HIS F 2 13 ? 46.164 26.619 42.495 1.00 139.76 ? 13 HIS F ND1 1 ATOM 7899 C CD2 . HIS F 2 13 ? 46.494 26.141 40.389 1.00 127.50 ? 13 HIS F CD2 1 ATOM 7900 C CE1 . HIS F 2 13 ? 45.206 25.787 42.128 1.00 140.73 ? 13 HIS F CE1 1 ATOM 7901 N NE2 . HIS F 2 13 ? 45.383 25.482 40.855 1.00 133.51 ? 13 HIS F NE2 1 ATOM 7902 N N . PRO F 2 14 ? 49.625 30.416 42.621 1.00 130.74 ? 14 PRO F N 1 ATOM 7903 C CA . PRO F 2 14 ? 50.893 31.139 42.721 1.00 130.86 ? 14 PRO F CA 1 ATOM 7904 C C . PRO F 2 14 ? 51.952 30.551 41.783 1.00 125.75 ? 14 PRO F C 1 ATOM 7905 O O . PRO F 2 14 ? 52.226 29.350 41.846 1.00 128.14 ? 14 PRO F O 1 ATOM 7906 C CB . PRO F 2 14 ? 51.293 30.932 44.182 1.00 141.86 ? 14 PRO F CB 1 ATOM 7907 C CG . PRO F 2 14 ? 50.004 30.825 44.902 1.00 146.99 ? 14 PRO F CG 1 ATOM 7908 C CD . PRO F 2 14 ? 49.015 30.201 43.948 1.00 140.47 ? 14 PRO F CD 1 ATOM 7909 N N . PRO F 2 15 ? 52.522 31.390 40.898 1.00 119.33 ? 15 PRO F N 1 ATOM 7910 C CA . PRO F 2 15 ? 53.507 30.948 39.908 1.00 114.38 ? 15 PRO F CA 1 ATOM 7911 C C . PRO F 2 15 ? 54.747 30.312 40.531 1.00 119.86 ? 15 PRO F C 1 ATOM 7912 O O . PRO F 2 15 ? 55.318 30.858 41.478 1.00 125.80 ? 15 PRO F O 1 ATOM 7913 C CB . PRO F 2 15 ? 53.886 32.245 39.177 1.00 109.26 ? 15 PRO F CB 1 ATOM 7914 C CG . PRO F 2 15 ? 53.406 33.354 40.054 1.00 113.51 ? 15 PRO F CG 1 ATOM 7915 C CD . PRO F 2 15 ? 52.202 32.820 40.746 1.00 116.94 ? 15 PRO F CD 1 ATOM 7916 N N . GLU F 2 16 ? 55.136 29.155 39.998 1.00 118.45 ? 16 GLU F N 1 ATOM 7917 C CA . GLU F 2 16 ? 56.340 28.444 40.426 1.00 123.05 ? 16 GLU F CA 1 ATOM 7918 C C . GLU F 2 16 ? 56.922 27.655 39.256 1.00 117.96 ? 16 GLU F C 1 ATOM 7919 O O . GLU F 2 16 ? 56.205 26.903 38.589 1.00 115.32 ? 16 GLU F O 1 ATOM 7920 C CB . GLU F 2 16 ? 56.036 27.508 41.601 1.00 131.89 ? 16 GLU F CB 1 ATOM 7921 N N . ASN F 2 17 ? 58.219 27.835 39.010 1.00 117.27 ? 17 ASN F N 1 ATOM 7922 C CA . ASN F 2 17 ? 58.901 27.171 37.899 1.00 113.02 ? 17 ASN F CA 1 ATOM 7923 C C . ASN F 2 17 ? 58.912 25.649 38.022 1.00 116.86 ? 17 ASN F C 1 ATOM 7924 O O . ASN F 2 17 ? 59.302 25.101 39.057 1.00 124.03 ? 17 ASN F O 1 ATOM 7925 C CB . ASN F 2 17 ? 60.329 27.709 37.727 1.00 112.63 ? 17 ASN F CB 1 ATOM 7926 C CG . ASN F 2 17 ? 60.378 29.029 36.966 1.00 107.10 ? 17 ASN F CG 1 ATOM 7927 O OD1 . ASN F 2 17 ? 59.398 29.446 36.346 1.00 102.72 ? 17 ASN F OD1 1 ATOM 7928 N ND2 . ASN F 2 17 ? 61.530 29.688 37.006 1.00 107.97 ? 17 ASN F ND2 1 ATOM 7929 N N . GLY F 2 18 ? 58.466 24.980 36.961 1.00 112.90 ? 18 GLY F N 1 ATOM 7930 C CA . GLY F 2 18 ? 58.432 23.520 36.909 1.00 116.82 ? 18 GLY F CA 1 ATOM 7931 C C . GLY F 2 18 ? 57.111 22.899 37.329 1.00 120.43 ? 18 GLY F C 1 ATOM 7932 O O . GLY F 2 18 ? 56.874 21.716 37.081 1.00 123.57 ? 18 GLY F O 1 ATOM 7933 N N . LYS F 2 19 ? 56.250 23.694 37.963 1.00 120.69 ? 19 LYS F N 1 ATOM 7934 C CA . LYS F 2 19 ? 54.978 23.193 38.484 1.00 125.00 ? 19 LYS F CA 1 ATOM 7935 C C . LYS F 2 19 ? 53.788 23.537 37.579 1.00 119.10 ? 19 LYS F C 1 ATOM 7936 O O . LYS F 2 19 ? 53.493 24.716 37.360 1.00 113.85 ? 19 LYS F O 1 ATOM 7937 C CB . LYS F 2 19 ? 54.737 23.697 39.913 1.00 131.14 ? 19 LYS F CB 1 ATOM 7938 N N . PRO F 2 20 ? 53.107 22.499 37.049 1.00 120.61 ? 20 PRO F N 1 ATOM 7939 C CA . PRO F 2 20 ? 51.906 22.626 36.219 1.00 116.54 ? 20 PRO F CA 1 ATOM 7940 C C . PRO F 2 20 ? 50.843 23.533 36.840 1.00 116.04 ? 20 PRO F C 1 ATOM 7941 O O . PRO F 2 20 ? 50.507 23.391 38.018 1.00 122.54 ? 20 PRO F O 1 ATOM 7942 C CB . PRO F 2 20 ? 51.395 21.187 36.132 1.00 122.75 ? 20 PRO F CB 1 ATOM 7943 C CG . PRO F 2 20 ? 52.626 20.369 36.203 1.00 126.44 ? 20 PRO F CG 1 ATOM 7944 C CD . PRO F 2 20 ? 53.533 21.090 37.165 1.00 127.10 ? 20 PRO F CD 1 ATOM 7945 N N . ASN F 2 21 ? 50.326 24.452 36.030 1.00 108.87 ? 21 ASN F N 1 ATOM 7946 C CA . ASN F 2 21 ? 49.399 25.484 36.479 1.00 107.39 ? 21 ASN F CA 1 ATOM 7947 C C . ASN F 2 21 ? 48.366 25.786 35.384 1.00 101.73 ? 21 ASN F C 1 ATOM 7948 O O . ASN F 2 21 ? 48.378 25.159 34.321 1.00 99.65 ? 21 ASN F O 1 ATOM 7949 C CB . ASN F 2 21 ? 50.193 26.746 36.849 1.00 104.90 ? 21 ASN F CB 1 ATOM 7950 C CG . ASN F 2 21 ? 49.459 27.653 37.826 1.00 107.24 ? 21 ASN F CG 1 ATOM 7951 O OD1 . ASN F 2 21 ? 48.290 27.437 38.146 1.00 110.08 ? 21 ASN F OD1 1 ATOM 7952 N ND2 . ASN F 2 21 ? 50.150 28.683 38.299 1.00 106.82 ? 21 ASN F ND2 1 ATOM 7953 N N . ILE F 2 22 ? 47.468 26.731 35.652 1.00 99.89 ? 22 ILE F N 1 ATOM 7954 C CA . ILE F 2 22 ? 46.517 27.201 34.651 1.00 94.38 ? 22 ILE F CA 1 ATOM 7955 C C . ILE F 2 22 ? 46.757 28.680 34.357 1.00 88.60 ? 22 ILE F C 1 ATOM 7956 O O . ILE F 2 22 ? 47.061 29.458 35.266 1.00 90.24 ? 22 ILE F O 1 ATOM 7957 C CB . ILE F 2 22 ? 45.059 26.987 35.104 1.00 97.69 ? 22 ILE F CB 1 ATOM 7958 N N . LEU F 2 23 ? 46.638 29.057 33.086 1.00 82.73 ? 23 LEU F N 1 ATOM 7959 C CA . LEU F 2 23 ? 46.801 30.451 32.680 1.00 77.85 ? 23 LEU F CA 1 ATOM 7960 C C . LEU F 2 23 ? 45.498 31.029 32.148 1.00 74.95 ? 23 LEU F C 1 ATOM 7961 O O . LEU F 2 23 ? 44.852 30.440 31.279 1.00 73.69 ? 23 LEU F O 1 ATOM 7962 C CB . LEU F 2 23 ? 47.915 30.601 31.640 1.00 74.08 ? 23 LEU F CB 1 ATOM 7963 C CG . LEU F 2 23 ? 48.372 32.023 31.288 1.00 70.40 ? 23 LEU F CG 1 ATOM 7964 C CD1 . LEU F 2 23 ? 48.959 32.749 32.492 1.00 73.43 ? 23 LEU F CD1 1 ATOM 7965 C CD2 . LEU F 2 23 ? 49.375 31.988 30.150 1.00 67.43 ? 23 LEU F CD2 1 ATOM 7966 N N . ASN F 2 24 ? 45.127 32.190 32.678 1.00 74.55 ? 24 ASN F N 1 ATOM 7967 C CA . ASN F 2 24 ? 43.885 32.856 32.315 1.00 72.10 ? 24 ASN F CA 1 ATOM 7968 C C . ASN F 2 24 ? 44.116 34.095 31.462 1.00 67.38 ? 24 ASN F C 1 ATOM 7969 O O . ASN F 2 24 ? 44.944 34.946 31.794 1.00 67.71 ? 24 ASN F O 1 ATOM 7970 C CB . ASN F 2 24 ? 43.097 33.235 33.574 1.00 76.13 ? 24 ASN F CB 1 ATOM 7971 C CG . ASN F 2 24 ? 42.566 32.023 34.324 1.00 81.84 ? 24 ASN F CG 1 ATOM 7972 O OD1 . ASN F 2 24 ? 42.374 30.953 33.746 1.00 82.49 ? 24 ASN F OD1 1 ATOM 7973 N ND2 . ASN F 2 24 ? 42.316 32.191 35.620 1.00 87.24 ? 24 ASN F ND2 1 ATOM 7974 N N . CYS F 2 25 ? 43.391 34.175 30.350 1.00 63.86 ? 25 CYS F N 1 ATOM 7975 C CA . CYS F 2 25 ? 43.278 35.409 29.585 1.00 60.19 ? 25 CYS F CA 1 ATOM 7976 C C . CYS F 2 25 ? 41.834 35.892 29.708 1.00 59.76 ? 25 CYS F C 1 ATOM 7977 O O . CYS F 2 25 ? 40.896 35.161 29.380 1.00 59.73 ? 25 CYS F O 1 ATOM 7978 C CB . CYS F 2 25 ? 43.675 35.197 28.118 1.00 57.12 ? 25 CYS F CB 1 ATOM 7979 S SG . CYS F 2 25 ? 43.605 36.703 27.108 1.00 54.12 ? 25 CYS F SG 1 ATOM 7980 N N . TYR F 2 26 ? 41.670 37.115 30.204 1.00 60.02 ? 26 TYR F N 1 ATOM 7981 C CA . TYR F 2 26 ? 40.352 37.698 30.453 1.00 60.16 ? 26 TYR F CA 1 ATOM 7982 C C . TYR F 2 26 ? 40.178 38.987 29.650 1.00 57.45 ? 26 TYR F C 1 ATOM 7983 O O . TYR F 2 26 ? 40.732 40.036 30.002 1.00 58.61 ? 26 TYR F O 1 ATOM 7984 C CB . TYR F 2 26 ? 40.176 37.944 31.957 1.00 64.83 ? 26 TYR F CB 1 ATOM 7985 C CG . TYR F 2 26 ? 38.831 38.491 32.398 1.00 65.66 ? 26 TYR F CG 1 ATOM 7986 C CD1 . TYR F 2 26 ? 37.641 37.832 32.087 1.00 64.67 ? 26 TYR F CD1 1 ATOM 7987 C CD2 . TYR F 2 26 ? 38.759 39.649 33.170 1.00 68.01 ? 26 TYR F CD2 1 ATOM 7988 C CE1 . TYR F 2 26 ? 36.413 38.332 32.511 1.00 66.06 ? 26 TYR F CE1 1 ATOM 7989 C CE2 . TYR F 2 26 ? 37.541 40.152 33.604 1.00 69.55 ? 26 TYR F CE2 1 ATOM 7990 C CZ . TYR F 2 26 ? 36.372 39.492 33.272 1.00 68.34 ? 26 TYR F CZ 1 ATOM 7991 O OH . TYR F 2 26 ? 35.166 39.997 33.701 1.00 69.85 ? 26 TYR F OH 1 ATOM 7992 N N . VAL F 2 27 ? 39.411 38.887 28.565 1.00 54.63 ? 27 VAL F N 1 ATOM 7993 C CA . VAL F 2 27 ? 39.201 39.998 27.632 1.00 52.37 ? 27 VAL F CA 1 ATOM 7994 C C . VAL F 2 27 ? 37.863 40.684 27.916 1.00 52.75 ? 27 VAL F C 1 ATOM 7995 O O . VAL F 2 27 ? 36.830 40.022 28.033 1.00 52.94 ? 27 VAL F O 1 ATOM 7996 C CB . VAL F 2 27 ? 39.260 39.529 26.152 1.00 49.82 ? 27 VAL F CB 1 ATOM 7997 C CG1 . VAL F 2 27 ? 39.444 40.716 25.221 1.00 48.65 ? 27 VAL F CG1 1 ATOM 7998 C CG2 . VAL F 2 27 ? 40.387 38.526 25.941 1.00 49.85 ? 27 VAL F CG2 1 ATOM 7999 N N . THR F 2 28 ? 37.895 42.011 28.029 1.00 53.46 ? 28 THR F N 1 ATOM 8000 C CA . THR F 2 28 ? 36.727 42.790 28.452 1.00 54.58 ? 28 THR F CA 1 ATOM 8001 C C . THR F 2 28 ? 36.530 44.068 27.645 1.00 53.87 ? 28 THR F C 1 ATOM 8002 O O . THR F 2 28 ? 37.408 44.474 26.882 1.00 53.29 ? 28 THR F O 1 ATOM 8003 C CB . THR F 2 28 ? 36.840 43.215 29.934 1.00 58.82 ? 28 THR F CB 1 ATOM 8004 O OG1 . THR F 2 28 ? 38.099 43.863 30.153 1.00 60.61 ? 28 THR F OG1 1 ATOM 8005 C CG2 . THR F 2 28 ? 36.726 42.025 30.850 1.00 60.71 ? 28 THR F CG2 1 ATOM 8006 N N . GLN F 2 29 ? 35.367 44.692 27.842 1.00 54.59 ? 29 GLN F N 1 ATOM 8007 C CA . GLN F 2 29 ? 35.055 46.051 27.362 1.00 55.38 ? 29 GLN F CA 1 ATOM 8008 C C . GLN F 2 29 ? 34.964 46.204 25.841 1.00 52.69 ? 29 GLN F C 1 ATOM 8009 O O . GLN F 2 29 ? 34.956 47.330 25.334 1.00 53.94 ? 29 GLN F O 1 ATOM 8010 C CB . GLN F 2 29 ? 36.038 47.096 27.932 1.00 59.13 ? 29 GLN F CB 1 ATOM 8011 C CG . GLN F 2 29 ? 36.339 46.984 29.429 1.00 63.39 ? 29 GLN F CG 1 ATOM 8012 C CD . GLN F 2 29 ? 35.214 47.476 30.328 1.00 66.98 ? 29 GLN F CD 1 ATOM 8013 O OE1 . GLN F 2 29 ? 34.159 47.912 29.863 1.00 65.94 ? 29 GLN F OE1 1 ATOM 8014 N NE2 . GLN F 2 29 ? 35.443 47.410 31.635 1.00 72.01 ? 29 GLN F NE2 1 ATOM 8015 N N . PHE F 2 30 ? 34.888 45.088 25.117 1.00 49.95 ? 30 PHE F N 1 ATOM 8016 C CA . PHE F 2 30 ? 34.869 45.137 23.655 1.00 48.29 ? 30 PHE F CA 1 ATOM 8017 C C . PHE F 2 30 ? 33.459 45.211 23.068 1.00 47.63 ? 30 PHE F C 1 ATOM 8018 O O . PHE F 2 30 ? 32.483 44.791 23.702 1.00 47.63 ? 30 PHE F O 1 ATOM 8019 C CB . PHE F 2 30 ? 35.683 43.992 23.035 1.00 46.90 ? 30 PHE F CB 1 ATOM 8020 C CG . PHE F 2 30 ? 35.236 42.619 23.451 1.00 46.20 ? 30 PHE F CG 1 ATOM 8021 C CD1 . PHE F 2 30 ? 35.780 42.007 24.579 1.00 47.01 ? 30 PHE F CD1 1 ATOM 8022 C CD2 . PHE F 2 30 ? 34.293 41.923 22.702 1.00 45.61 ? 30 PHE F CD2 1 ATOM 8023 C CE1 . PHE F 2 30 ? 35.376 40.730 24.967 1.00 47.33 ? 30 PHE F CE1 1 ATOM 8024 C CE2 . PHE F 2 30 ? 33.882 40.647 23.080 1.00 46.40 ? 30 PHE F CE2 1 ATOM 8025 C CZ . PHE F 2 30 ? 34.426 40.048 24.216 1.00 47.04 ? 30 PHE F CZ 1 ATOM 8026 N N . HIS F 2 31 ? 33.378 45.761 21.857 1.00 47.60 ? 31 HIS F N 1 ATOM 8027 C CA . HIS F 2 31 ? 32.143 45.882 21.089 1.00 47.39 ? 31 HIS F CA 1 ATOM 8028 C C . HIS F 2 31 ? 32.530 46.225 19.651 1.00 48.24 ? 31 HIS F C 1 ATOM 8029 O O . HIS F 2 31 ? 33.356 47.114 19.436 1.00 49.76 ? 31 HIS F O 1 ATOM 8030 C CB . HIS F 2 31 ? 31.242 46.977 21.669 1.00 48.55 ? 31 HIS F CB 1 ATOM 8031 C CG . HIS F 2 31 ? 29.872 47.020 21.065 1.00 48.65 ? 31 HIS F CG 1 ATOM 8032 N ND1 . HIS F 2 31 ? 28.789 46.377 21.626 1.00 48.40 ? 31 HIS F ND1 1 ATOM 8033 C CD2 . HIS F 2 31 ? 29.410 47.628 19.946 1.00 49.80 ? 31 HIS F CD2 1 ATOM 8034 C CE1 . HIS F 2 31 ? 27.719 46.589 20.882 1.00 48.63 ? 31 HIS F CE1 1 ATOM 8035 N NE2 . HIS F 2 31 ? 28.068 47.345 19.856 1.00 49.89 ? 31 HIS F NE2 1 ATOM 8036 N N . PRO F 2 32 ? 31.949 45.526 18.655 1.00 48.18 ? 32 PRO F N 1 ATOM 8037 C CA . PRO F 2 32 ? 30.941 44.461 18.700 1.00 47.52 ? 32 PRO F CA 1 ATOM 8038 C C . PRO F 2 32 ? 31.477 43.154 19.302 1.00 46.60 ? 32 PRO F C 1 ATOM 8039 O O . PRO F 2 32 ? 32.691 42.993 19.400 1.00 46.42 ? 32 PRO F O 1 ATOM 8040 C CB . PRO F 2 32 ? 30.592 44.261 17.221 1.00 49.30 ? 32 PRO F CB 1 ATOM 8041 C CG . PRO F 2 32 ? 31.819 44.660 16.498 1.00 50.43 ? 32 PRO F CG 1 ATOM 8042 C CD . PRO F 2 32 ? 32.352 45.823 17.268 1.00 50.04 ? 32 PRO F CD 1 ATOM 8043 N N . PRO F 2 33 ? 30.577 42.229 19.700 1.00 46.76 ? 33 PRO F N 1 ATOM 8044 C CA . PRO F 2 33 ? 30.946 40.979 20.375 1.00 46.92 ? 33 PRO F CA 1 ATOM 8045 C C . PRO F 2 33 ? 31.864 40.026 19.605 1.00 47.77 ? 33 PRO F C 1 ATOM 8046 O O . PRO F 2 33 ? 32.458 39.147 20.222 1.00 48.13 ? 33 PRO F O 1 ATOM 8047 C CB . PRO F 2 33 ? 29.590 40.302 20.630 1.00 48.23 ? 33 PRO F CB 1 ATOM 8048 C CG . PRO F 2 33 ? 28.658 40.939 19.687 1.00 48.70 ? 33 PRO F CG 1 ATOM 8049 C CD . PRO F 2 33 ? 29.112 42.356 19.606 1.00 47.46 ? 33 PRO F CD 1 ATOM 8050 N N . HIS F 2 34 ? 31.980 40.179 18.289 1.00 48.94 ? 34 HIS F N 1 ATOM 8051 C CA . HIS F 2 34 ? 32.832 39.285 17.506 1.00 50.80 ? 34 HIS F CA 1 ATOM 8052 C C . HIS F 2 34 ? 34.313 39.467 17.851 1.00 49.47 ? 34 HIS F C 1 ATOM 8053 O O . HIS F 2 34 ? 34.834 40.583 17.833 1.00 48.56 ? 34 HIS F O 1 ATOM 8054 C CB . HIS F 2 34 ? 32.603 39.456 16.001 1.00 53.51 ? 34 HIS F CB 1 ATOM 8055 C CG . HIS F 2 34 ? 33.496 38.597 15.161 1.00 56.75 ? 34 HIS F CG 1 ATOM 8056 N ND1 . HIS F 2 34 ? 33.302 37.239 15.016 1.00 60.23 ? 34 HIS F ND1 1 ATOM 8057 C CD2 . HIS F 2 34 ? 34.604 38.897 14.442 1.00 58.26 ? 34 HIS F CD2 1 ATOM 8058 C CE1 . HIS F 2 34 ? 34.245 36.742 14.236 1.00 62.86 ? 34 HIS F CE1 1 ATOM 8059 N NE2 . HIS F 2 34 ? 35.048 37.727 13.874 1.00 61.77 ? 34 HIS F NE2 1 ATOM 8060 N N . ILE F 2 35 ? 34.981 38.359 18.163 1.00 50.02 ? 35 ILE F N 1 ATOM 8061 C CA . ILE F 2 35 ? 36.362 38.398 18.636 1.00 48.86 ? 35 ILE F CA 1 ATOM 8062 C C . ILE F 2 35 ? 37.113 37.096 18.337 1.00 50.69 ? 35 ILE F C 1 ATOM 8063 O O . ILE F 2 35 ? 36.509 36.028 18.228 1.00 52.83 ? 35 ILE F O 1 ATOM 8064 C CB . ILE F 2 35 ? 36.423 38.744 20.158 1.00 47.19 ? 35 ILE F CB 1 ATOM 8065 C CG1 . ILE F 2 35 ? 37.716 39.496 20.500 1.00 46.17 ? 35 ILE F CG1 1 ATOM 8066 C CG2 . ILE F 2 35 ? 36.208 37.496 21.030 1.00 47.99 ? 35 ILE F CG2 1 ATOM 8067 C CD1 . ILE F 2 35 ? 37.608 40.386 21.723 1.00 44.91 ? 35 ILE F CD1 1 ATOM 8068 N N . GLU F 2 36 ? 38.430 37.204 18.186 1.00 50.45 ? 36 GLU F N 1 ATOM 8069 C CA . GLU F 2 36 ? 39.296 36.043 18.035 1.00 52.17 ? 36 GLU F CA 1 ATOM 8070 C C . GLU F 2 36 ? 40.389 36.110 19.092 1.00 50.71 ? 36 GLU F C 1 ATOM 8071 O O . GLU F 2 36 ? 41.133 37.090 19.167 1.00 49.42 ? 36 GLU F O 1 ATOM 8072 C CB . GLU F 2 36 ? 39.897 35.981 16.628 1.00 54.44 ? 36 GLU F CB 1 ATOM 8073 N N . ILE F 2 37 ? 40.459 35.069 19.920 1.00 51.67 ? 37 ILE F N 1 ATOM 8074 C CA . ILE F 2 37 ? 41.434 34.997 21.006 1.00 50.98 ? 37 ILE F CA 1 ATOM 8075 C C . ILE F 2 37 ? 42.355 33.798 20.821 1.00 53.11 ? 37 ILE F C 1 ATOM 8076 O O . ILE F 2 37 ? 41.902 32.691 20.519 1.00 55.71 ? 37 ILE F O 1 ATOM 8077 C CB . ILE F 2 37 ? 40.753 34.923 22.395 1.00 50.90 ? 37 ILE F CB 1 ATOM 8078 C CG1 . ILE F 2 37 ? 39.711 36.035 22.543 1.00 49.21 ? 37 ILE F CG1 1 ATOM 8079 C CG2 . ILE F 2 37 ? 41.791 35.033 23.512 1.00 51.08 ? 37 ILE F CG2 1 ATOM 8080 C CD1 . ILE F 2 37 ? 38.784 35.859 23.716 1.00 50.19 ? 37 ILE F CD1 1 ATOM 8081 N N . GLN F 2 38 ? 43.649 34.038 21.000 1.00 52.60 ? 38 GLN F N 1 ATOM 8082 C CA . GLN F 2 38 ? 44.661 32.997 20.909 1.00 54.65 ? 38 GLN F CA 1 ATOM 8083 C C . GLN F 2 38 ? 45.547 33.019 22.140 1.00 54.38 ? 38 GLN F C 1 ATOM 8084 O O . GLN F 2 38 ? 45.757 34.072 22.748 1.00 52.81 ? 38 GLN F O 1 ATOM 8085 C CB . GLN F 2 38 ? 45.526 33.200 19.670 1.00 55.28 ? 38 GLN F CB 1 ATOM 8086 C CG . GLN F 2 38 ? 44.849 32.839 18.363 1.00 57.79 ? 38 GLN F CG 1 ATOM 8087 C CD . GLN F 2 38 ? 45.694 33.201 17.163 1.00 59.56 ? 38 GLN F CD 1 ATOM 8088 O OE1 . GLN F 2 38 ? 46.163 32.326 16.437 1.00 63.00 ? 38 GLN F OE1 1 ATOM 8089 N NE2 . GLN F 2 38 ? 45.905 34.497 16.955 1.00 58.24 ? 38 GLN F NE2 1 ATOM 8090 N N . MET F 2 39 ? 46.063 31.849 22.502 1.00 56.71 ? 39 MET F N 1 ATOM 8091 C CA . MET F 2 39 ? 47.026 31.739 23.589 1.00 57.24 ? 39 MET F CA 1 ATOM 8092 C C . MET F 2 39 ? 48.314 31.108 23.070 1.00 58.63 ? 39 MET F C 1 ATOM 8093 O O . MET F 2 39 ? 48.291 30.049 22.444 1.00 61.04 ? 39 MET F O 1 ATOM 8094 C CB . MET F 2 39 ? 46.433 30.958 24.763 1.00 59.55 ? 39 MET F CB 1 ATOM 8095 C CG . MET F 2 39 ? 45.246 31.667 25.415 1.00 58.50 ? 39 MET F CG 1 ATOM 8096 S SD . MET F 2 39 ? 44.832 31.080 27.066 1.00 62.12 ? 39 MET F SD 1 ATOM 8097 C CE . MET F 2 39 ? 46.243 31.651 28.018 1.00 62.05 ? 39 MET F CE 1 ATOM 8098 N N . LEU F 2 40 ? 49.434 31.778 23.325 1.00 57.81 ? 40 LEU F N 1 ATOM 8099 C CA . LEU F 2 40 ? 50.704 31.428 22.696 1.00 58.93 ? 40 LEU F CA 1 ATOM 8100 C C . LEU F 2 40 ? 51.768 30.983 23.693 1.00 60.54 ? 40 LEU F C 1 ATOM 8101 O O . LEU F 2 40 ? 51.892 31.549 24.779 1.00 60.31 ? 40 LEU F O 1 ATOM 8102 C CB . LEU F 2 40 ? 51.235 32.615 21.882 1.00 57.53 ? 40 LEU F CB 1 ATOM 8103 C CG . LEU F 2 40 ? 50.340 33.270 20.823 1.00 56.36 ? 40 LEU F CG 1 ATOM 8104 C CD1 . LEU F 2 40 ? 50.734 34.724 20.627 1.00 55.08 ? 40 LEU F CD1 1 ATOM 8105 C CD2 . LEU F 2 40 ? 50.382 32.515 19.502 1.00 58.43 ? 40 LEU F CD2 1 ATOM 8106 N N . LYS F 2 41 ? 52.525 29.958 23.309 1.00 62.82 ? 41 LYS F N 1 ATOM 8107 C CA . LYS F 2 41 ? 53.724 29.551 24.033 1.00 64.64 ? 41 LYS F CA 1 ATOM 8108 C C . LYS F 2 41 ? 54.919 29.831 23.133 1.00 64.65 ? 41 LYS F C 1 ATOM 8109 O O . LYS F 2 41 ? 55.128 29.144 22.129 1.00 66.11 ? 41 LYS F O 1 ATOM 8110 C CB . LYS F 2 41 ? 53.665 28.071 24.421 1.00 68.12 ? 41 LYS F CB 1 ATOM 8111 N N . ASN F 2 42 ? 55.685 30.858 23.498 1.00 63.84 ? 42 ASN F N 1 ATOM 8112 C CA . ASN F 2 42 ? 56.794 31.373 22.682 1.00 64.26 ? 42 ASN F CA 1 ATOM 8113 C C . ASN F 2 42 ? 56.318 31.899 21.329 1.00 63.35 ? 42 ASN F C 1 ATOM 8114 O O . ASN F 2 42 ? 56.958 31.670 20.302 1.00 64.96 ? 42 ASN F O 1 ATOM 8115 C CB . ASN F 2 42 ? 57.908 30.325 22.504 1.00 66.79 ? 42 ASN F CB 1 ATOM 8116 C CG . ASN F 2 42 ? 58.365 29.722 23.820 1.00 68.20 ? 42 ASN F CG 1 ATOM 8117 O OD1 . ASN F 2 42 ? 58.554 30.426 24.813 1.00 67.99 ? 42 ASN F OD1 1 ATOM 8118 N ND2 . ASN F 2 42 ? 58.554 28.407 23.830 1.00 70.48 ? 42 ASN F ND2 1 ATOM 8119 N N . GLY F 2 43 ? 55.185 32.599 21.342 1.00 61.44 ? 43 GLY F N 1 ATOM 8120 C CA . GLY F 2 43 ? 54.586 33.153 20.127 1.00 61.06 ? 43 GLY F CA 1 ATOM 8121 C C . GLY F 2 43 ? 53.985 32.108 19.201 1.00 62.47 ? 43 GLY F C 1 ATOM 8122 O O . GLY F 2 43 ? 53.620 32.412 18.064 1.00 63.24 ? 43 GLY F O 1 ATOM 8123 N N . LYS F 2 44 ? 53.881 30.877 19.693 1.00 63.74 ? 44 LYS F N 1 ATOM 8124 C CA . LYS F 2 44 ? 53.357 29.761 18.917 1.00 66.42 ? 44 LYS F CA 1 ATOM 8125 C C . LYS F 2 44 ? 52.044 29.290 19.539 1.00 66.16 ? 44 LYS F C 1 ATOM 8126 O O . LYS F 2 44 ? 51.968 29.064 20.750 1.00 65.65 ? 44 LYS F O 1 ATOM 8127 C CB . LYS F 2 44 ? 54.387 28.628 18.875 1.00 69.64 ? 44 LYS F CB 1 ATOM 8128 C CG . LYS F 2 44 ? 54.214 27.638 17.734 1.00 73.83 ? 44 LYS F CG 1 ATOM 8129 C CD . LYS F 2 44 ? 55.375 26.654 17.700 1.00 77.18 ? 44 LYS F CD 1 ATOM 8130 C CE . LYS F 2 44 ? 55.095 25.489 16.765 1.00 82.53 ? 44 LYS F CE 1 ATOM 8131 N NZ . LYS F 2 44 ? 56.174 24.466 16.827 1.00 86.12 ? 44 LYS F NZ 1 ATOM 8132 N N . LYS F 2 45 ? 51.016 29.154 18.702 1.00 67.21 ? 45 LYS F N 1 ATOM 8133 C CA . LYS F 2 45 ? 49.657 28.851 19.159 1.00 67.19 ? 45 LYS F CA 1 ATOM 8134 C C . LYS F 2 45 ? 49.526 27.511 19.886 1.00 70.46 ? 45 LYS F C 1 ATOM 8135 O O . LYS F 2 45 ? 49.933 26.469 19.371 1.00 74.55 ? 45 LYS F O 1 ATOM 8136 C CB . LYS F 2 45 ? 48.672 28.914 17.984 1.00 68.64 ? 45 LYS F CB 1 ATOM 8137 N N . ILE F 2 46 ? 48.960 27.558 21.090 1.00 69.42 ? 46 ILE F N 1 ATOM 8138 C CA . ILE F 2 46 ? 48.639 26.357 21.860 1.00 73.36 ? 46 ILE F CA 1 ATOM 8139 C C . ILE F 2 46 ? 47.385 25.708 21.258 1.00 76.71 ? 46 ILE F C 1 ATOM 8140 O O . ILE F 2 46 ? 46.367 26.383 21.089 1.00 74.63 ? 46 ILE F O 1 ATOM 8141 C CB . ILE F 2 46 ? 48.434 26.679 23.368 1.00 72.07 ? 46 ILE F CB 1 ATOM 8142 C CG1 . ILE F 2 46 ? 49.649 27.432 23.923 1.00 69.49 ? 46 ILE F CG1 1 ATOM 8143 C CG2 . ILE F 2 46 ? 48.184 25.401 24.178 1.00 77.08 ? 46 ILE F CG2 1 ATOM 8144 C CD1 . ILE F 2 46 ? 49.377 28.234 25.183 1.00 67.65 ? 46 ILE F CD1 1 ATOM 8145 N N . PRO F 2 47 ? 47.464 24.401 20.920 1.00 82.56 ? 47 PRO F N 1 ATOM 8146 C CA . PRO F 2 47 ? 46.397 23.663 20.224 1.00 87.37 ? 47 PRO F CA 1 ATOM 8147 C C . PRO F 2 47 ? 45.016 23.705 20.895 1.00 87.79 ? 47 PRO F C 1 ATOM 8148 O O . PRO F 2 47 ? 44.064 24.233 20.308 1.00 86.59 ? 47 PRO F O 1 ATOM 8149 C CB . PRO F 2 47 ? 46.934 22.222 20.175 1.00 94.33 ? 47 PRO F CB 1 ATOM 8150 C CG . PRO F 2 47 ? 48.069 22.181 21.158 1.00 92.72 ? 47 PRO F CG 1 ATOM 8151 C CD . PRO F 2 47 ? 48.649 23.551 21.135 1.00 85.61 ? 47 PRO F CD 1 ATOM 8152 N N . LYS F 2 48 ? 44.911 23.154 22.103 1.00 90.00 ? 48 LYS F N 1 ATOM 8153 C CA . LYS F 2 48 ? 43.627 23.060 22.800 1.00 91.73 ? 48 LYS F CA 1 ATOM 8154 C C . LYS F 2 48 ? 43.492 24.129 23.880 1.00 86.48 ? 48 LYS F C 1 ATOM 8155 O O . LYS F 2 48 ? 44.097 24.028 24.951 1.00 86.95 ? 48 LYS F O 1 ATOM 8156 C CB . LYS F 2 48 ? 43.433 21.659 23.394 1.00 99.64 ? 48 LYS F CB 1 ATOM 8157 N N . VAL F 2 49 ? 42.705 25.160 23.582 1.00 82.18 ? 49 VAL F N 1 ATOM 8158 C CA . VAL F 2 49 ? 42.456 26.249 24.525 1.00 77.81 ? 49 VAL F CA 1 ATOM 8159 C C . VAL F 2 49 ? 40.954 26.344 24.807 1.00 79.02 ? 49 VAL F C 1 ATOM 8160 O O . VAL F 2 49 ? 40.184 26.838 23.978 1.00 77.19 ? 49 VAL F O 1 ATOM 8161 C CB . VAL F 2 49 ? 43.019 27.612 24.013 1.00 71.53 ? 49 VAL F CB 1 ATOM 8162 C CG1 . VAL F 2 49 ? 42.784 28.719 25.032 1.00 68.13 ? 49 VAL F CG1 1 ATOM 8163 C CG2 . VAL F 2 49 ? 44.506 27.507 23.701 1.00 70.84 ? 49 VAL F CG2 1 ATOM 8164 N N . GLU F 2 50 ? 40.551 25.855 25.979 1.00 82.65 ? 50 GLU F N 1 ATOM 8165 C CA . GLU F 2 50 ? 39.147 25.839 26.389 1.00 84.89 ? 50 GLU F CA 1 ATOM 8166 C C . GLU F 2 50 ? 38.618 27.250 26.629 1.00 79.43 ? 50 GLU F C 1 ATOM 8167 O O . GLU F 2 50 ? 39.225 28.038 27.359 1.00 76.50 ? 50 GLU F O 1 ATOM 8168 C CB . GLU F 2 50 ? 38.959 24.974 27.640 1.00 91.15 ? 50 GLU F CB 1 ATOM 8169 N N . MET F 2 51 ? 37.483 27.556 26.005 1.00 78.75 ? 51 MET F N 1 ATOM 8170 C CA . MET F 2 51 ? 36.905 28.895 26.043 1.00 73.91 ? 51 MET F CA 1 ATOM 8171 C C . MET F 2 51 ? 35.568 28.897 26.773 1.00 76.55 ? 51 MET F C 1 ATOM 8172 O O . MET F 2 51 ? 34.767 27.969 26.623 1.00 81.50 ? 51 MET F O 1 ATOM 8173 C CB . MET F 2 51 ? 36.710 29.421 24.621 1.00 70.72 ? 51 MET F CB 1 ATOM 8174 C CG . MET F 2 51 ? 36.771 30.934 24.501 1.00 65.40 ? 51 MET F CG 1 ATOM 8175 S SD . MET F 2 51 ? 38.418 31.537 24.070 1.00 61.91 ? 51 MET F SD 1 ATOM 8176 C CE . MET F 2 51 ? 38.404 31.306 22.291 1.00 62.82 ? 51 MET F CE 1 ATOM 8177 N N . SER F 2 52 ? 35.333 29.944 27.560 1.00 73.95 ? 52 SER F N 1 ATOM 8178 C CA . SER F 2 52 ? 34.051 30.128 28.240 1.00 76.17 ? 52 SER F CA 1 ATOM 8179 C C . SER F 2 52 ? 33.029 30.764 27.301 1.00 73.45 ? 52 SER F C 1 ATOM 8180 O O . SER F 2 52 ? 33.395 31.344 26.274 1.00 69.36 ? 52 SER F O 1 ATOM 8181 C CB . SER F 2 52 ? 34.221 30.995 29.490 1.00 75.54 ? 52 SER F CB 1 ATOM 8182 O OG . SER F 2 52 ? 34.428 32.355 29.146 1.00 69.92 ? 52 SER F OG 1 ATOM 8183 N N . ASP F 2 53 ? 31.752 30.655 27.656 1.00 76.31 ? 53 ASP F N 1 ATOM 8184 C CA . ASP F 2 53 ? 30.683 31.304 26.895 1.00 74.12 ? 53 ASP F CA 1 ATOM 8185 C C . ASP F 2 53 ? 30.674 32.809 27.152 1.00 69.04 ? 53 ASP F C 1 ATOM 8186 O O . ASP F 2 53 ? 30.751 33.252 28.297 1.00 69.76 ? 53 ASP F O 1 ATOM 8187 C CB . ASP F 2 53 ? 29.327 30.691 27.238 1.00 79.37 ? 53 ASP F CB 1 ATOM 8188 C CG . ASP F 2 53 ? 29.227 29.238 26.828 1.00 85.46 ? 53 ASP F CG 1 ATOM 8189 O OD1 . ASP F 2 53 ? 28.462 28.939 25.890 1.00 87.34 ? 53 ASP F OD1 1 ATOM 8190 O OD2 . ASP F 2 53 ? 29.923 28.395 27.432 1.00 89.50 ? 53 ASP F OD2 1 ATOM 8191 N N . MET F 2 54 ? 30.591 33.585 26.077 1.00 64.88 ? 54 MET F N 1 ATOM 8192 C CA . MET F 2 54 ? 30.629 35.044 26.162 1.00 60.63 ? 54 MET F CA 1 ATOM 8193 C C . MET F 2 54 ? 29.430 35.597 26.934 1.00 61.61 ? 54 MET F C 1 ATOM 8194 O O . MET F 2 54 ? 28.327 35.059 26.846 1.00 64.44 ? 54 MET F O 1 ATOM 8195 C CB . MET F 2 54 ? 30.695 35.645 24.757 1.00 57.46 ? 54 MET F CB 1 ATOM 8196 C CG . MET F 2 54 ? 31.129 37.106 24.701 1.00 54.24 ? 54 MET F CG 1 ATOM 8197 S SD . MET F 2 54 ? 31.885 37.551 23.122 1.00 52.72 ? 54 MET F SD 1 ATOM 8198 C CE . MET F 2 54 ? 30.603 37.048 21.967 1.00 54.76 ? 54 MET F CE 1 ATOM 8199 N N . SER F 2 55 ? 29.664 36.663 27.694 1.00 59.89 ? 55 SER F N 1 ATOM 8200 C CA . SER F 2 55 ? 28.636 37.298 28.512 1.00 61.17 ? 55 SER F CA 1 ATOM 8201 C C . SER F 2 55 ? 28.915 38.800 28.635 1.00 58.32 ? 55 SER F C 1 ATOM 8202 O O . SER F 2 55 ? 29.921 39.287 28.122 1.00 55.56 ? 55 SER F O 1 ATOM 8203 C CB . SER F 2 55 ? 28.592 36.634 29.893 1.00 66.12 ? 55 SER F CB 1 ATOM 8204 O OG . SER F 2 55 ? 27.488 37.081 30.658 1.00 68.95 ? 55 SER F OG 1 ATOM 8205 N N . PHE F 2 56 ? 28.021 39.532 29.297 1.00 59.64 ? 56 PHE F N 1 ATOM 8206 C CA . PHE F 2 56 ? 28.217 40.967 29.542 1.00 58.45 ? 56 PHE F CA 1 ATOM 8207 C C . PHE F 2 56 ? 27.779 41.392 30.945 1.00 62.77 ? 56 PHE F C 1 ATOM 8208 O O . PHE F 2 56 ? 26.938 40.742 31.564 1.00 66.11 ? 56 PHE F O 1 ATOM 8209 C CB . PHE F 2 56 ? 27.536 41.828 28.460 1.00 55.51 ? 56 PHE F CB 1 ATOM 8210 C CG . PHE F 2 56 ? 26.076 41.526 28.255 1.00 55.76 ? 56 PHE F CG 1 ATOM 8211 C CD1 . PHE F 2 56 ? 25.104 42.178 29.006 1.00 57.65 ? 56 PHE F CD1 1 ATOM 8212 C CD2 . PHE F 2 56 ? 25.673 40.606 27.296 1.00 54.54 ? 56 PHE F CD2 1 ATOM 8213 C CE1 . PHE F 2 56 ? 23.751 41.903 28.819 1.00 58.51 ? 56 PHE F CE1 1 ATOM 8214 C CE2 . PHE F 2 56 ? 24.324 40.324 27.101 1.00 56.19 ? 56 PHE F CE2 1 ATOM 8215 C CZ . PHE F 2 56 ? 23.361 40.975 27.864 1.00 57.74 ? 56 PHE F CZ 1 ATOM 8216 N N . SER F 2 57 ? 28.362 42.483 31.438 1.00 63.64 ? 57 SER F N 1 ATOM 8217 C CA . SER F 2 57 ? 28.072 42.983 32.784 1.00 68.83 ? 57 SER F CA 1 ATOM 8218 C C . SER F 2 57 ? 26.982 44.058 32.785 1.00 69.70 ? 57 SER F C 1 ATOM 8219 O O . SER F 2 57 ? 26.454 44.412 31.729 1.00 66.19 ? 57 SER F O 1 ATOM 8220 C CB . SER F 2 57 ? 29.352 43.485 33.466 1.00 71.01 ? 57 SER F CB 1 ATOM 8221 O OG . SER F 2 57 ? 30.133 44.282 32.593 1.00 67.53 ? 57 SER F OG 1 ATOM 8222 N N . LYS F 2 58 ? 26.658 44.570 33.974 1.00 75.06 ? 58 LYS F N 1 ATOM 8223 C CA . LYS F 2 58 ? 25.554 45.522 34.169 1.00 77.08 ? 58 LYS F CA 1 ATOM 8224 C C . LYS F 2 58 ? 25.652 46.792 33.317 1.00 74.35 ? 58 LYS F C 1 ATOM 8225 O O . LYS F 2 58 ? 24.630 47.370 32.943 1.00 73.88 ? 58 LYS F O 1 ATOM 8226 C CB . LYS F 2 58 ? 25.418 45.892 35.649 1.00 84.38 ? 58 LYS F CB 1 ATOM 8227 N N . ASP F 2 59 ? 26.877 47.215 33.015 1.00 73.11 ? 59 ASP F N 1 ATOM 8228 C CA . ASP F 2 59 ? 27.110 48.381 32.158 1.00 71.33 ? 59 ASP F CA 1 ATOM 8229 C C . ASP F 2 59 ? 27.145 48.020 30.667 1.00 65.29 ? 59 ASP F C 1 ATOM 8230 O O . ASP F 2 59 ? 27.533 48.842 29.830 1.00 64.02 ? 59 ASP F O 1 ATOM 8231 C CB . ASP F 2 59 ? 28.398 49.105 32.572 1.00 74.35 ? 59 ASP F CB 1 ATOM 8232 C CG . ASP F 2 59 ? 29.618 48.193 32.573 1.00 72.91 ? 59 ASP F CG 1 ATOM 8233 O OD1 . ASP F 2 59 ? 29.518 47.033 32.116 1.00 69.33 ? 59 ASP F OD1 1 ATOM 8234 O OD2 . ASP F 2 59 ? 30.686 48.646 33.037 1.00 76.28 ? 59 ASP F OD2 1 ATOM 8235 N N . TRP F 2 60 ? 26.752 46.783 30.359 1.00 62.57 ? 60 TRP F N 1 ATOM 8236 C CA . TRP F 2 60 ? 26.571 46.280 28.985 1.00 57.84 ? 60 TRP F CA 1 ATOM 8237 C C . TRP F 2 60 ? 27.834 45.774 28.281 1.00 55.23 ? 60 TRP F C 1 ATOM 8238 O O . TRP F 2 60 ? 27.745 45.089 27.261 1.00 52.53 ? 60 TRP F O 1 ATOM 8239 C CB . TRP F 2 60 ? 25.815 47.285 28.106 1.00 56.62 ? 60 TRP F CB 1 ATOM 8240 C CG . TRP F 2 60 ? 24.460 47.622 28.641 1.00 57.91 ? 60 TRP F CG 1 ATOM 8241 C CD1 . TRP F 2 60 ? 24.098 48.765 29.285 1.00 60.52 ? 60 TRP F CD1 1 ATOM 8242 C CD2 . TRP F 2 60 ? 23.291 46.797 28.594 1.00 56.91 ? 60 TRP F CD2 1 ATOM 8243 N NE1 . TRP F 2 60 ? 22.773 48.711 29.637 1.00 61.90 ? 60 TRP F NE1 1 ATOM 8244 C CE2 . TRP F 2 60 ? 22.253 47.513 29.224 1.00 59.66 ? 60 TRP F CE2 1 ATOM 8245 C CE3 . TRP F 2 60 ? 23.020 45.523 28.078 1.00 55.11 ? 60 TRP F CE3 1 ATOM 8246 C CZ2 . TRP F 2 60 ? 20.959 47.001 29.350 1.00 60.58 ? 60 TRP F CZ2 1 ATOM 8247 C CZ3 . TRP F 2 60 ? 21.735 45.014 28.204 1.00 56.38 ? 60 TRP F CZ3 1 ATOM 8248 C CH2 . TRP F 2 60 ? 20.721 45.753 28.836 1.00 59.11 ? 60 TRP F CH2 1 ATOM 8249 N N . SER F 2 61 ? 29.000 46.108 28.826 1.00 56.72 ? 61 SER F N 1 ATOM 8250 C CA . SER F 2 61 ? 30.273 45.733 28.214 1.00 54.74 ? 61 SER F CA 1 ATOM 8251 C C . SER F 2 61 ? 30.516 44.225 28.260 1.00 53.82 ? 61 SER F C 1 ATOM 8252 O O . SER F 2 61 ? 30.272 43.579 29.279 1.00 56.21 ? 61 SER F O 1 ATOM 8253 C CB . SER F 2 61 ? 31.431 46.495 28.862 1.00 57.26 ? 61 SER F CB 1 ATOM 8254 O OG . SER F 2 61 ? 31.341 46.468 30.274 1.00 61.08 ? 61 SER F OG 1 ATOM 8255 N N . PHE F 2 62 ? 30.991 43.680 27.140 1.00 51.17 ? 62 PHE F N 1 ATOM 8256 C CA . PHE F 2 62 ? 31.209 42.243 26.984 1.00 50.75 ? 62 PHE F CA 1 ATOM 8257 C C . PHE F 2 62 ? 32.449 41.753 27.717 1.00 51.98 ? 62 PHE F C 1 ATOM 8258 O O . PHE F 2 62 ? 33.394 42.511 27.925 1.00 52.37 ? 62 PHE F O 1 ATOM 8259 C CB . PHE F 2 62 ? 31.338 41.882 25.502 1.00 48.43 ? 62 PHE F CB 1 ATOM 8260 C CG . PHE F 2 62 ? 30.043 41.937 24.743 1.00 48.03 ? 62 PHE F CG 1 ATOM 8261 C CD1 . PHE F 2 62 ? 29.702 43.065 24.006 1.00 47.01 ? 62 PHE F CD1 1 ATOM 8262 C CD2 . PHE F 2 62 ? 29.170 40.854 24.753 1.00 49.30 ? 62 PHE F CD2 1 ATOM 8263 C CE1 . PHE F 2 62 ? 28.509 43.118 23.300 1.00 46.89 ? 62 PHE F CE1 1 ATOM 8264 C CE2 . PHE F 2 62 ? 27.973 40.899 24.047 1.00 49.33 ? 62 PHE F CE2 1 ATOM 8265 C CZ . PHE F 2 62 ? 27.644 42.033 23.320 1.00 47.93 ? 62 PHE F CZ 1 ATOM 8266 N N . TYR F 2 63 ? 32.430 40.479 28.105 1.00 53.37 ? 63 TYR F N 1 ATOM 8267 C CA . TYR F 2 63 ? 33.606 39.809 28.656 1.00 54.59 ? 63 TYR F CA 1 ATOM 8268 C C . TYR F 2 63 ? 33.656 38.319 28.308 1.00 55.14 ? 63 TYR F C 1 ATOM 8269 O O . TYR F 2 63 ? 32.624 37.699 28.040 1.00 56.06 ? 63 TYR F O 1 ATOM 8270 C CB . TYR F 2 63 ? 33.739 40.036 30.173 1.00 58.42 ? 63 TYR F CB 1 ATOM 8271 C CG . TYR F 2 63 ? 32.603 39.530 31.049 1.00 61.67 ? 63 TYR F CG 1 ATOM 8272 C CD1 . TYR F 2 63 ? 32.418 38.165 31.281 1.00 63.55 ? 63 TYR F CD1 1 ATOM 8273 C CD2 . TYR F 2 63 ? 31.748 40.425 31.693 1.00 63.47 ? 63 TYR F CD2 1 ATOM 8274 C CE1 . TYR F 2 63 ? 31.389 37.704 32.102 1.00 67.50 ? 63 TYR F CE1 1 ATOM 8275 C CE2 . TYR F 2 63 ? 30.718 39.974 32.519 1.00 67.12 ? 63 TYR F CE2 1 ATOM 8276 C CZ . TYR F 2 63 ? 30.545 38.613 32.718 1.00 69.19 ? 63 TYR F CZ 1 ATOM 8277 O OH . TYR F 2 63 ? 29.529 38.165 33.530 1.00 73.75 ? 63 TYR F OH 1 ATOM 8278 N N . ILE F 2 64 ? 34.865 37.762 28.312 1.00 55.18 ? 64 ILE F N 1 ATOM 8279 C CA . ILE F 2 64 ? 35.086 36.346 28.017 1.00 56.50 ? 64 ILE F CA 1 ATOM 8280 C C . ILE F 2 64 ? 36.424 35.876 28.603 1.00 57.97 ? 64 ILE F C 1 ATOM 8281 O O . ILE F 2 64 ? 37.407 36.624 28.618 1.00 56.52 ? 64 ILE F O 1 ATOM 8282 C CB . ILE F 2 64 ? 34.987 36.050 26.488 1.00 54.26 ? 64 ILE F CB 1 ATOM 8283 C CG1 . ILE F 2 64 ? 35.020 34.541 26.211 1.00 56.69 ? 64 ILE F CG1 1 ATOM 8284 C CG2 . ILE F 2 64 ? 36.066 36.804 25.707 1.00 51.51 ? 64 ILE F CG2 1 ATOM 8285 C CD1 . ILE F 2 64 ? 34.553 34.153 24.821 1.00 56.31 ? 64 ILE F CD1 1 ATOM 8286 N N . LEU F 2 65 ? 36.445 34.639 29.093 1.00 61.50 ? 65 LEU F N 1 ATOM 8287 C CA . LEU F 2 65 ? 37.621 34.086 29.755 1.00 63.58 ? 65 LEU F CA 1 ATOM 8288 C C . LEU F 2 65 ? 38.140 32.834 29.051 1.00 64.42 ? 65 LEU F C 1 ATOM 8289 O O . LEU F 2 65 ? 37.440 31.824 28.947 1.00 67.40 ? 65 LEU F O 1 ATOM 8290 C CB . LEU F 2 65 ? 37.310 33.792 31.229 1.00 68.56 ? 65 LEU F CB 1 ATOM 8291 C CG . LEU F 2 65 ? 38.408 33.230 32.142 1.00 72.24 ? 65 LEU F CG 1 ATOM 8292 C CD1 . LEU F 2 65 ? 39.546 34.228 32.350 1.00 70.27 ? 65 LEU F CD1 1 ATOM 8293 C CD2 . LEU F 2 65 ? 37.819 32.806 33.482 1.00 78.48 ? 65 LEU F CD2 1 ATOM 8294 N N . ALA F 2 66 ? 39.375 32.921 28.567 1.00 62.52 ? 66 ALA F N 1 ATOM 8295 C CA . ALA F 2 66 ? 40.075 31.784 27.984 1.00 63.88 ? 66 ALA F CA 1 ATOM 8296 C C . ALA F 2 66 ? 41.110 31.258 28.973 1.00 66.91 ? 66 ALA F C 1 ATOM 8297 O O . ALA F 2 66 ? 41.707 32.037 29.723 1.00 66.56 ? 66 ALA F O 1 ATOM 8298 C CB . ALA F 2 66 ? 40.748 32.192 26.689 1.00 60.23 ? 66 ALA F CB 1 ATOM 8299 N N . HIS F 2 67 ? 41.319 29.941 28.973 1.00 70.62 ? 67 HIS F N 1 ATOM 8300 C CA . HIS F 2 67 ? 42.322 29.313 29.839 1.00 74.04 ? 67 HIS F CA 1 ATOM 8301 C C . HIS F 2 67 ? 42.946 28.057 29.230 1.00 76.42 ? 67 HIS F C 1 ATOM 8302 O O . HIS F 2 67 ? 42.301 27.336 28.465 1.00 77.94 ? 67 HIS F O 1 ATOM 8303 C CB . HIS F 2 67 ? 41.734 28.993 31.219 1.00 79.19 ? 67 HIS F CB 1 ATOM 8304 C CG . HIS F 2 67 ? 40.598 28.020 31.180 1.00 83.48 ? 67 HIS F CG 1 ATOM 8305 N ND1 . HIS F 2 67 ? 40.762 26.676 31.434 1.00 89.21 ? 67 HIS F ND1 1 ATOM 8306 C CD2 . HIS F 2 67 ? 39.282 28.195 30.909 1.00 83.31 ? 67 HIS F CD2 1 ATOM 8307 C CE1 . HIS F 2 67 ? 39.596 26.065 31.325 1.00 92.89 ? 67 HIS F CE1 1 ATOM 8308 N NE2 . HIS F 2 67 ? 38.682 26.964 31.008 1.00 89.13 ? 67 HIS F NE2 1 ATOM 8309 N N . THR F 2 68 ? 44.207 27.812 29.578 1.00 77.34 ? 68 THR F N 1 ATOM 8310 C CA . THR F 2 68 ? 44.923 26.604 29.162 1.00 80.42 ? 68 THR F CA 1 ATOM 8311 C C . THR F 2 68 ? 45.901 26.143 30.248 1.00 84.16 ? 68 THR F C 1 ATOM 8312 O O . THR F 2 68 ? 46.253 26.914 31.146 1.00 83.55 ? 68 THR F O 1 ATOM 8313 C CB . THR F 2 68 ? 45.659 26.795 27.801 1.00 76.66 ? 68 THR F CB 1 ATOM 8314 O OG1 . THR F 2 68 ? 46.222 25.548 27.374 1.00 80.43 ? 68 THR F OG1 1 ATOM 8315 C CG2 . THR F 2 68 ? 46.768 27.846 27.904 1.00 72.68 ? 68 THR F CG2 1 ATOM 8316 N N . GLU F 2 69 ? 46.325 24.884 30.162 1.00 88.81 ? 69 GLU F N 1 ATOM 8317 C CA . GLU F 2 69 ? 47.285 24.318 31.112 1.00 93.16 ? 69 GLU F CA 1 ATOM 8318 C C . GLU F 2 69 ? 48.721 24.556 30.652 1.00 90.13 ? 69 GLU F C 1 ATOM 8319 O O . GLU F 2 69 ? 49.075 24.251 29.511 1.00 88.41 ? 69 GLU F O 1 ATOM 8320 C CB . GLU F 2 69 ? 47.029 22.821 31.318 1.00 100.62 ? 69 GLU F CB 1 ATOM 8321 N N . PHE F 2 70 ? 49.537 25.106 31.549 1.00 90.26 ? 70 PHE F N 1 ATOM 8322 C CA . PHE F 2 70 ? 50.938 25.418 31.253 1.00 88.03 ? 70 PHE F CA 1 ATOM 8323 C C . PHE F 2 70 ? 51.861 25.128 32.441 1.00 92.67 ? 70 PHE F C 1 ATOM 8324 O O . PHE F 2 70 ? 51.418 25.118 33.590 1.00 96.72 ? 70 PHE F O 1 ATOM 8325 C CB . PHE F 2 70 ? 51.077 26.879 30.784 1.00 81.93 ? 70 PHE F CB 1 ATOM 8326 C CG . PHE F 2 70 ? 51.133 27.898 31.905 1.00 82.16 ? 70 PHE F CG 1 ATOM 8327 C CD1 . PHE F 2 70 ? 50.129 27.973 32.870 1.00 84.84 ? 70 PHE F CD1 1 ATOM 8328 C CD2 . PHE F 2 70 ? 52.183 28.809 31.969 1.00 80.17 ? 70 PHE F CD2 1 ATOM 8329 C CE1 . PHE F 2 70 ? 50.190 28.920 33.892 1.00 86.03 ? 70 PHE F CE1 1 ATOM 8330 C CE2 . PHE F 2 70 ? 52.245 29.764 32.981 1.00 81.45 ? 70 PHE F CE2 1 ATOM 8331 C CZ . PHE F 2 70 ? 51.247 29.818 33.944 1.00 84.52 ? 70 PHE F CZ 1 ATOM 8332 N N . THR F 2 71 ? 53.137 24.885 32.152 1.00 92.70 ? 71 THR F N 1 ATOM 8333 C CA . THR F 2 71 ? 54.149 24.699 33.192 1.00 97.00 ? 71 THR F CA 1 ATOM 8334 C C . THR F 2 71 ? 55.243 25.766 33.062 1.00 93.63 ? 71 THR F C 1 ATOM 8335 O O . THR F 2 71 ? 56.111 25.660 32.189 1.00 91.47 ? 71 THR F O 1 ATOM 8336 C CB . THR F 2 71 ? 54.767 23.284 33.149 1.00 101.80 ? 71 THR F CB 1 ATOM 8337 N N . PRO F 2 72 ? 55.195 26.804 33.924 1.00 94.05 ? 72 PRO F N 1 ATOM 8338 C CA . PRO F 2 72 ? 56.138 27.927 33.862 1.00 91.85 ? 72 PRO F CA 1 ATOM 8339 C C . PRO F 2 72 ? 57.591 27.484 33.998 1.00 94.39 ? 72 PRO F C 1 ATOM 8340 O O . PRO F 2 72 ? 57.898 26.606 34.805 1.00 99.71 ? 72 PRO F O 1 ATOM 8341 C CB . PRO F 2 72 ? 55.748 28.790 35.069 1.00 94.85 ? 72 PRO F CB 1 ATOM 8342 C CG . PRO F 2 72 ? 54.357 28.404 35.393 1.00 95.98 ? 72 PRO F CG 1 ATOM 8343 C CD . PRO F 2 72 ? 54.231 26.961 35.029 1.00 97.66 ? 72 PRO F CD 1 ATOM 8344 N N . THR F 2 73 ? 58.462 28.081 33.189 1.00 91.12 ? 73 THR F N 1 ATOM 8345 C CA . THR F 2 73 ? 59.906 27.859 33.273 1.00 93.33 ? 73 THR F CA 1 ATOM 8346 C C . THR F 2 73 ? 60.635 29.202 33.255 1.00 92.28 ? 73 THR F C 1 ATOM 8347 O O . THR F 2 73 ? 60.009 30.252 33.081 1.00 89.78 ? 73 THR F O 1 ATOM 8348 C CB . THR F 2 73 ? 60.433 26.972 32.112 1.00 91.54 ? 73 THR F CB 1 ATOM 8349 O OG1 . THR F 2 73 ? 60.048 27.539 30.854 1.00 86.42 ? 73 THR F OG1 1 ATOM 8350 C CG2 . THR F 2 73 ? 59.897 25.546 32.214 1.00 94.53 ? 73 THR F CG2 1 ATOM 8351 N N . GLU F 2 74 ? 61.953 29.167 33.437 1.00 94.84 ? 74 GLU F N 1 ATOM 8352 C CA . GLU F 2 74 ? 62.772 30.372 33.348 1.00 94.91 ? 74 GLU F CA 1 ATOM 8353 C C . GLU F 2 74 ? 62.721 30.969 31.939 1.00 89.72 ? 74 GLU F C 1 ATOM 8354 O O . GLU F 2 74 ? 62.386 32.144 31.771 1.00 88.47 ? 74 GLU F O 1 ATOM 8355 C CB . GLU F 2 74 ? 64.218 30.077 33.756 1.00 98.99 ? 74 GLU F CB 1 ATOM 8356 N N . THR F 2 75 ? 63.014 30.140 30.937 1.00 87.56 ? 75 THR F N 1 ATOM 8357 C CA . THR F 2 75 ? 63.174 30.593 29.551 1.00 83.88 ? 75 THR F CA 1 ATOM 8358 C C . THR F 2 75 ? 61.874 30.963 28.814 1.00 79.82 ? 75 THR F C 1 ATOM 8359 O O . THR F 2 75 ? 61.807 32.015 28.171 1.00 78.09 ? 75 THR F O 1 ATOM 8360 C CB . THR F 2 75 ? 63.967 29.564 28.711 1.00 83.90 ? 75 THR F CB 1 ATOM 8361 N N . ASP F 2 76 ? 60.855 30.104 28.908 1.00 78.96 ? 76 ASP F N 1 ATOM 8362 C CA . ASP F 2 76 ? 59.646 30.219 28.071 1.00 75.39 ? 76 ASP F CA 1 ATOM 8363 C C . ASP F 2 76 ? 58.802 31.470 28.328 1.00 73.57 ? 76 ASP F C 1 ATOM 8364 O O . ASP F 2 76 ? 58.802 32.017 29.433 1.00 75.69 ? 76 ASP F O 1 ATOM 8365 C CB . ASP F 2 76 ? 58.766 28.966 28.197 1.00 76.20 ? 76 ASP F CB 1 ATOM 8366 C CG . ASP F 2 76 ? 59.396 27.729 27.564 1.00 78.04 ? 76 ASP F CG 1 ATOM 8367 O OD1 . ASP F 2 76 ? 60.157 27.861 26.579 1.00 77.55 ? 76 ASP F OD1 1 ATOM 8368 O OD2 . ASP F 2 76 ? 59.115 26.613 28.052 1.00 81.11 ? 76 ASP F OD2 1 ATOM 8369 N N . THR F 2 77 ? 58.093 31.912 27.288 1.00 70.28 ? 77 THR F N 1 ATOM 8370 C CA . THR F 2 77 ? 57.169 33.046 27.379 1.00 68.41 ? 77 THR F CA 1 ATOM 8371 C C . THR F 2 77 ? 55.745 32.604 27.070 1.00 66.27 ? 77 THR F C 1 ATOM 8372 O O . THR F 2 77 ? 55.528 31.660 26.305 1.00 65.70 ? 77 THR F O 1 ATOM 8373 C CB . THR F 2 77 ? 57.544 34.198 26.411 1.00 67.18 ? 77 THR F CB 1 ATOM 8374 O OG1 . THR F 2 77 ? 57.451 33.743 25.056 1.00 65.29 ? 77 THR F OG1 1 ATOM 8375 C CG2 . THR F 2 77 ? 58.954 34.718 26.685 1.00 69.96 ? 77 THR F CG2 1 ATOM 8376 N N . TYR F 2 78 ? 54.781 33.298 27.668 1.00 65.71 ? 78 TYR F N 1 ATOM 8377 C CA . TYR F 2 78 ? 53.363 33.027 27.445 1.00 63.89 ? 78 TYR F CA 1 ATOM 8378 C C . TYR F 2 78 ? 52.601 34.324 27.185 1.00 61.82 ? 78 TYR F C 1 ATOM 8379 O O . TYR F 2 78 ? 52.810 35.324 27.871 1.00 62.98 ? 78 TYR F O 1 ATOM 8380 C CB . TYR F 2 78 ? 52.768 32.267 28.635 1.00 66.38 ? 78 TYR F CB 1 ATOM 8381 C CG . TYR F 2 78 ? 53.268 30.842 28.756 1.00 69.03 ? 78 TYR F CG 1 ATOM 8382 C CD1 . TYR F 2 78 ? 54.377 30.534 29.548 1.00 72.28 ? 78 TYR F CD1 1 ATOM 8383 C CD2 . TYR F 2 78 ? 52.637 29.802 28.073 1.00 69.22 ? 78 TYR F CD2 1 ATOM 8384 C CE1 . TYR F 2 78 ? 54.843 29.225 29.659 1.00 75.14 ? 78 TYR F CE1 1 ATOM 8385 C CE2 . TYR F 2 78 ? 53.094 28.490 28.177 1.00 72.63 ? 78 TYR F CE2 1 ATOM 8386 C CZ . TYR F 2 78 ? 54.196 28.209 28.972 1.00 75.39 ? 78 TYR F CZ 1 ATOM 8387 O OH . TYR F 2 78 ? 54.649 26.913 29.079 1.00 79.11 ? 78 TYR F OH 1 ATOM 8388 N N . ALA F 2 79 ? 51.720 34.301 26.189 1.00 59.50 ? 79 ALA F N 1 ATOM 8389 C CA . ALA F 2 79 ? 51.021 35.507 25.752 1.00 57.83 ? 79 ALA F CA 1 ATOM 8390 C C . ALA F 2 79 ? 49.569 35.245 25.351 1.00 56.18 ? 79 ALA F C 1 ATOM 8391 O O . ALA F 2 79 ? 49.179 34.101 25.106 1.00 56.52 ? 79 ALA F O 1 ATOM 8392 C CB . ALA F 2 79 ? 51.783 36.156 24.599 1.00 57.41 ? 79 ALA F CB 1 ATOM 8393 N N . CYS F 2 80 ? 48.776 36.314 25.293 1.00 55.07 ? 80 CYS F N 1 ATOM 8394 C CA . CYS F 2 80 ? 47.404 36.246 24.789 1.00 53.59 ? 80 CYS F CA 1 ATOM 8395 C C . CYS F 2 80 ? 47.215 37.228 23.630 1.00 52.14 ? 80 CYS F C 1 ATOM 8396 O O . CYS F 2 80 ? 47.291 38.445 23.818 1.00 52.35 ? 80 CYS F O 1 ATOM 8397 C CB . CYS F 2 80 ? 46.393 36.521 25.907 1.00 54.07 ? 80 CYS F CB 1 ATOM 8398 S SG . CYS F 2 80 ? 44.664 36.257 25.433 1.00 53.46 ? 80 CYS F SG 1 ATOM 8399 N N . ARG F 2 81 ? 46.983 36.682 22.436 1.00 51.60 ? 81 ARG F N 1 ATOM 8400 C CA . ARG F 2 81 ? 46.819 37.474 21.215 1.00 51.21 ? 81 ARG F CA 1 ATOM 8401 C C . ARG F 2 81 ? 45.343 37.599 20.848 1.00 50.08 ? 81 ARG F C 1 ATOM 8402 O O . ARG F 2 81 ? 44.641 36.599 20.691 1.00 50.29 ? 81 ARG F O 1 ATOM 8403 C CB . ARG F 2 81 ? 47.615 36.850 20.062 1.00 52.61 ? 81 ARG F CB 1 ATOM 8404 C CG . ARG F 2 81 ? 47.599 37.642 18.752 1.00 54.11 ? 81 ARG F CG 1 ATOM 8405 C CD . ARG F 2 81 ? 48.706 37.176 17.815 1.00 57.21 ? 81 ARG F CD 1 ATOM 8406 N NE . ARG F 2 81 ? 50.027 37.585 18.300 1.00 59.10 ? 81 ARG F NE 1 ATOM 8407 C CZ . ARG F 2 81 ? 51.179 37.004 17.965 1.00 61.02 ? 81 ARG F CZ 1 ATOM 8408 N NH1 . ARG F 2 81 ? 51.199 35.964 17.138 1.00 62.81 ? 81 ARG F NH1 1 ATOM 8409 N NH2 . ARG F 2 81 ? 52.319 37.461 18.470 1.00 61.57 ? 81 ARG F NH2 1 ATOM 8410 N N . VAL F 2 82 ? 44.882 38.838 20.717 1.00 49.47 ? 82 VAL F N 1 ATOM 8411 C CA . VAL F 2 82 ? 43.469 39.122 20.471 1.00 48.44 ? 82 VAL F CA 1 ATOM 8412 C C . VAL F 2 82 ? 43.295 39.987 19.225 1.00 49.03 ? 82 VAL F C 1 ATOM 8413 O O . VAL F 2 82 ? 43.931 41.035 19.091 1.00 49.98 ? 82 VAL F O 1 ATOM 8414 C CB . VAL F 2 82 ? 42.804 39.812 21.700 1.00 47.82 ? 82 VAL F CB 1 ATOM 8415 C CG1 . VAL F 2 82 ? 41.342 40.139 21.423 1.00 46.96 ? 82 VAL F CG1 1 ATOM 8416 C CG2 . VAL F 2 82 ? 42.919 38.935 22.943 1.00 48.07 ? 82 VAL F CG2 1 ATOM 8417 N N . LYS F 2 83 ? 42.436 39.529 18.316 1.00 49.27 ? 83 LYS F N 1 ATOM 8418 C CA . LYS F 2 83 ? 42.064 40.295 17.128 1.00 50.61 ? 83 LYS F CA 1 ATOM 8419 C C . LYS F 2 83 ? 40.634 40.814 17.260 1.00 49.67 ? 83 LYS F C 1 ATOM 8420 O O . LYS F 2 83 ? 39.714 40.060 17.583 1.00 48.83 ? 83 LYS F O 1 ATOM 8421 C CB . LYS F 2 83 ? 42.216 39.447 15.862 1.00 52.92 ? 83 LYS F CB 1 ATOM 8422 N N . HIS F 2 84 ? 40.459 42.110 17.021 1.00 50.43 ? 84 HIS F N 1 ATOM 8423 C CA . HIS F 2 84 ? 39.147 42.749 17.087 1.00 49.95 ? 84 HIS F CA 1 ATOM 8424 C C . HIS F 2 84 ? 39.043 43.893 16.076 1.00 52.66 ? 84 HIS F C 1 ATOM 8425 O O . HIS F 2 84 ? 40.050 44.504 15.713 1.00 54.81 ? 84 HIS F O 1 ATOM 8426 C CB . HIS F 2 84 ? 38.879 43.257 18.505 1.00 48.26 ? 84 HIS F CB 1 ATOM 8427 C CG . HIS F 2 84 ? 37.462 43.673 18.740 1.00 47.28 ? 84 HIS F CG 1 ATOM 8428 N ND1 . HIS F 2 84 ? 37.043 44.981 18.631 1.00 48.09 ? 84 HIS F ND1 1 ATOM 8429 C CD2 . HIS F 2 84 ? 36.365 42.953 19.071 1.00 45.97 ? 84 HIS F CD2 1 ATOM 8430 C CE1 . HIS F 2 84 ? 35.750 45.049 18.888 1.00 47.56 ? 84 HIS F CE1 1 ATOM 8431 N NE2 . HIS F 2 84 ? 35.313 43.832 19.158 1.00 46.09 ? 84 HIS F NE2 1 ATOM 8432 N N . ALA F 2 85 ? 37.820 44.179 15.636 1.00 53.24 ? 85 ALA F N 1 ATOM 8433 C CA . ALA F 2 85 ? 37.556 45.208 14.624 1.00 56.51 ? 85 ALA F CA 1 ATOM 8434 C C . ALA F 2 85 ? 38.001 46.612 15.041 1.00 58.11 ? 85 ALA F C 1 ATOM 8435 O O . ALA F 2 85 ? 38.319 47.444 14.188 1.00 61.92 ? 85 ALA F O 1 ATOM 8436 C CB . ALA F 2 85 ? 36.080 45.212 14.249 1.00 56.55 ? 85 ALA F CB 1 ATOM 8437 N N . SER F 2 86 ? 38.029 46.860 16.349 1.00 56.19 ? 86 SER F N 1 ATOM 8438 C CA . SER F 2 86 ? 38.390 48.167 16.899 1.00 58.54 ? 86 SER F CA 1 ATOM 8439 C C . SER F 2 86 ? 39.874 48.504 16.755 1.00 61.30 ? 86 SER F C 1 ATOM 8440 O O . SER F 2 86 ? 40.266 49.664 16.896 1.00 64.89 ? 86 SER F O 1 ATOM 8441 C CB . SER F 2 86 ? 37.994 48.241 18.371 1.00 56.57 ? 86 SER F CB 1 ATOM 8442 O OG . SER F 2 86 ? 38.661 47.237 19.113 1.00 54.65 ? 86 SER F OG 1 ATOM 8443 N N . MET F 2 87 ? 40.689 47.488 16.481 1.00 60.26 ? 87 MET F N 1 ATOM 8444 C CA . MET F 2 87 ? 42.135 47.659 16.341 1.00 62.81 ? 87 MET F CA 1 ATOM 8445 C C . MET F 2 87 ? 42.610 47.270 14.941 1.00 65.12 ? 87 MET F C 1 ATOM 8446 O O . MET F 2 87 ? 42.102 46.316 14.350 1.00 63.54 ? 87 MET F O 1 ATOM 8447 C CB . MET F 2 87 ? 42.879 46.822 17.386 1.00 60.23 ? 87 MET F CB 1 ATOM 8448 C CG . MET F 2 87 ? 42.440 47.050 18.828 1.00 58.82 ? 87 MET F CG 1 ATOM 8449 S SD . MET F 2 87 ? 43.111 45.826 19.977 1.00 56.92 ? 87 MET F SD 1 ATOM 8450 C CE . MET F 2 87 ? 42.380 44.309 19.358 1.00 53.09 ? 87 MET F CE 1 ATOM 8451 N N . ALA F 2 88 ? 43.587 48.013 14.422 1.00 69.72 ? 88 ALA F N 1 ATOM 8452 C CA . ALA F 2 88 ? 44.172 47.732 13.109 1.00 73.31 ? 88 ALA F CA 1 ATOM 8453 C C . ALA F 2 88 ? 45.024 46.463 13.146 1.00 71.37 ? 88 ALA F C 1 ATOM 8454 O O . ALA F 2 88 ? 44.846 45.558 12.330 1.00 71.51 ? 88 ALA F O 1 ATOM 8455 C CB . ALA F 2 88 ? 44.994 48.920 12.628 1.00 79.56 ? 88 ALA F CB 1 ATOM 8456 N N . GLU F 2 89 ? 45.946 46.411 14.102 1.00 70.26 ? 89 GLU F N 1 ATOM 8457 C CA . GLU F 2 89 ? 46.767 45.232 14.341 1.00 68.26 ? 89 GLU F CA 1 ATOM 8458 C C . GLU F 2 89 ? 46.186 44.459 15.520 1.00 62.99 ? 89 GLU F C 1 ATOM 8459 O O . GLU F 2 89 ? 45.499 45.047 16.357 1.00 61.53 ? 89 GLU F O 1 ATOM 8460 C CB . GLU F 2 89 ? 48.207 45.647 14.658 1.00 71.00 ? 89 GLU F CB 1 ATOM 8461 C CG . GLU F 2 89 ? 48.952 46.305 13.502 1.00 77.69 ? 89 GLU F CG 1 ATOM 8462 C CD . GLU F 2 89 ? 49.607 45.303 12.560 1.00 79.70 ? 89 GLU F CD 1 ATOM 8463 O OE1 . GLU F 2 89 ? 50.141 44.278 13.044 1.00 76.99 ? 89 GLU F OE1 1 ATOM 8464 O OE2 . GLU F 2 89 ? 49.599 45.553 11.334 1.00 84.41 ? 89 GLU F OE2 1 ATOM 8465 N N . PRO F 2 90 ? 46.446 43.137 15.588 1.00 60.86 ? 90 PRO F N 1 ATOM 8466 C CA . PRO F 2 90 ? 46.106 42.379 16.792 1.00 56.99 ? 90 PRO F CA 1 ATOM 8467 C C . PRO F 2 90 ? 46.954 42.807 17.990 1.00 56.83 ? 90 PRO F C 1 ATOM 8468 O O . PRO F 2 90 ? 48.123 43.166 17.833 1.00 59.14 ? 90 PRO F O 1 ATOM 8469 C CB . PRO F 2 90 ? 46.432 40.934 16.404 1.00 56.55 ? 90 PRO F CB 1 ATOM 8470 C CG . PRO F 2 90 ? 46.358 40.914 14.928 1.00 59.55 ? 90 PRO F CG 1 ATOM 8471 C CD . PRO F 2 90 ? 46.878 42.248 14.495 1.00 62.67 ? 90 PRO F CD 1 ATOM 8472 N N . LYS F 2 91 ? 46.349 42.770 19.172 1.00 54.75 ? 91 LYS F N 1 ATOM 8473 C CA . LYS F 2 91 ? 47.019 43.158 20.405 1.00 55.45 ? 91 LYS F CA 1 ATOM 8474 C C . LYS F 2 91 ? 47.535 41.920 21.123 1.00 53.92 ? 91 LYS F C 1 ATOM 8475 O O . LYS F 2 91 ? 46.819 40.927 21.260 1.00 51.77 ? 91 LYS F O 1 ATOM 8476 C CB . LYS F 2 91 ? 46.054 43.935 21.300 1.00 55.35 ? 91 LYS F CB 1 ATOM 8477 C CG . LYS F 2 91 ? 46.695 44.708 22.442 1.00 58.34 ? 91 LYS F CG 1 ATOM 8478 C CD . LYS F 2 91 ? 45.676 45.677 23.024 1.00 60.32 ? 91 LYS F CD 1 ATOM 8479 C CE . LYS F 2 91 ? 45.863 45.899 24.515 1.00 62.64 ? 91 LYS F CE 1 ATOM 8480 N NZ . LYS F 2 91 ? 44.568 46.296 25.147 1.00 62.10 ? 91 LYS F NZ 1 ATOM 8481 N N . THR F 2 92 ? 48.786 41.987 21.567 1.00 55.68 ? 92 THR F N 1 ATOM 8482 C CA . THR F 2 92 ? 49.417 40.890 22.288 1.00 55.01 ? 92 THR F CA 1 ATOM 8483 C C . THR F 2 92 ? 49.909 41.382 23.645 1.00 57.06 ? 92 THR F C 1 ATOM 8484 O O . THR F 2 92 ? 50.726 42.303 23.716 1.00 59.98 ? 92 THR F O 1 ATOM 8485 C CB . THR F 2 92 ? 50.605 40.293 21.491 1.00 55.90 ? 92 THR F CB 1 ATOM 8486 O OG1 . THR F 2 92 ? 50.227 40.099 20.122 1.00 55.40 ? 92 THR F OG1 1 ATOM 8487 C CG2 . THR F 2 92 ? 51.044 38.960 22.084 1.00 55.03 ? 92 THR F CG2 1 ATOM 8488 N N . VAL F 2 93 ? 49.390 40.781 24.716 1.00 56.46 ? 93 VAL F N 1 ATOM 8489 C CA . VAL F 2 93 ? 49.915 41.017 26.066 1.00 59.27 ? 93 VAL F CA 1 ATOM 8490 C C . VAL F 2 93 ? 50.541 39.745 26.638 1.00 59.48 ? 93 VAL F C 1 ATOM 8491 O O . VAL F 2 93 ? 49.943 38.665 26.585 1.00 57.68 ? 93 VAL F O 1 ATOM 8492 C CB . VAL F 2 93 ? 48.861 41.607 27.057 1.00 60.18 ? 93 VAL F CB 1 ATOM 8493 C CG1 . VAL F 2 93 ? 48.326 42.946 26.560 1.00 60.83 ? 93 VAL F CG1 1 ATOM 8494 C CG2 . VAL F 2 93 ? 47.733 40.645 27.297 1.00 57.95 ? 93 VAL F CG2 1 ATOM 8495 N N . TYR F 2 94 ? 51.751 39.886 27.170 1.00 62.38 ? 94 TYR F N 1 ATOM 8496 C CA . TYR F 2 94 ? 52.496 38.764 27.728 1.00 63.27 ? 94 TYR F CA 1 ATOM 8497 C C . TYR F 2 94 ? 52.162 38.556 29.199 1.00 65.87 ? 94 TYR F C 1 ATOM 8498 O O . TYR F 2 94 ? 51.830 39.507 29.908 1.00 68.21 ? 94 TYR F O 1 ATOM 8499 C CB . TYR F 2 94 ? 54.006 38.985 27.550 1.00 65.60 ? 94 TYR F CB 1 ATOM 8500 C CG . TYR F 2 94 ? 54.439 39.010 26.101 1.00 64.13 ? 94 TYR F CG 1 ATOM 8501 C CD1 . TYR F 2 94 ? 54.451 40.204 25.376 1.00 65.26 ? 94 TYR F CD1 1 ATOM 8502 C CD2 . TYR F 2 94 ? 54.818 37.839 25.449 1.00 62.82 ? 94 TYR F CD2 1 ATOM 8503 C CE1 . TYR F 2 94 ? 54.832 40.229 24.039 1.00 64.80 ? 94 TYR F CE1 1 ATOM 8504 C CE2 . TYR F 2 94 ? 55.200 37.853 24.111 1.00 62.48 ? 94 TYR F CE2 1 ATOM 8505 C CZ . TYR F 2 94 ? 55.205 39.050 23.415 1.00 63.43 ? 94 TYR F CZ 1 ATOM 8506 O OH . TYR F 2 94 ? 55.583 39.068 22.094 1.00 64.18 ? 94 TYR F OH 1 ATOM 8507 N N . TRP F 2 95 ? 52.235 37.304 29.644 1.00 66.22 ? 95 TRP F N 1 ATOM 8508 C CA . TRP F 2 95 ? 52.158 36.994 31.063 1.00 70.22 ? 95 TRP F CA 1 ATOM 8509 C C . TRP F 2 95 ? 53.419 37.501 31.756 1.00 74.60 ? 95 TRP F C 1 ATOM 8510 O O . TRP F 2 95 ? 54.540 37.171 31.357 1.00 74.54 ? 95 TRP F O 1 ATOM 8511 C CB . TRP F 2 95 ? 51.984 35.488 31.301 1.00 70.38 ? 95 TRP F CB 1 ATOM 8512 C CG . TRP F 2 95 ? 52.020 35.097 32.770 1.00 75.75 ? 95 TRP F CG 1 ATOM 8513 C CD1 . TRP F 2 95 ? 51.078 35.385 33.722 1.00 78.53 ? 95 TRP F CD1 1 ATOM 8514 C CD2 . TRP F 2 95 ? 53.048 34.351 33.441 1.00 79.60 ? 95 TRP F CD2 1 ATOM 8515 N NE1 . TRP F 2 95 ? 51.456 34.866 34.939 1.00 83.89 ? 95 TRP F NE1 1 ATOM 8516 C CE2 . TRP F 2 95 ? 52.660 34.227 34.796 1.00 84.74 ? 95 TRP F CE2 1 ATOM 8517 C CE3 . TRP F 2 95 ? 54.259 33.776 33.029 1.00 79.48 ? 95 TRP F CE3 1 ATOM 8518 C CZ2 . TRP F 2 95 ? 53.440 33.552 35.742 1.00 90.00 ? 95 TRP F CZ2 1 ATOM 8519 C CZ3 . TRP F 2 95 ? 55.034 33.103 33.971 1.00 84.27 ? 95 TRP F CZ3 1 ATOM 8520 C CH2 . TRP F 2 95 ? 54.619 32.998 35.312 1.00 89.42 ? 95 TRP F CH2 1 ATOM 8521 N N . ASP F 2 96 ? 53.219 38.328 32.776 1.00 78.90 ? 96 ASP F N 1 ATOM 8522 C CA . ASP F 2 96 ? 54.300 38.777 33.632 1.00 84.69 ? 96 ASP F CA 1 ATOM 8523 C C . ASP F 2 96 ? 54.024 38.271 35.041 1.00 89.73 ? 96 ASP F C 1 ATOM 8524 O O . ASP F 2 96 ? 53.003 38.620 35.641 1.00 91.40 ? 96 ASP F O 1 ATOM 8525 C CB . ASP F 2 96 ? 54.409 40.305 33.611 1.00 87.32 ? 96 ASP F CB 1 ATOM 8526 C CG . ASP F 2 96 ? 55.721 40.812 34.200 1.00 93.56 ? 96 ASP F CG 1 ATOM 8527 O OD1 . ASP F 2 96 ? 56.652 40.004 34.415 1.00 94.26 ? 96 ASP F OD1 1 ATOM 8528 O OD2 . ASP F 2 96 ? 55.823 42.033 34.441 1.00 98.15 ? 96 ASP F OD2 1 ATOM 8529 N N . ARG F 2 97 ? 54.930 37.439 35.555 1.00 92.67 ? 97 ARG F N 1 ATOM 8530 C CA . ARG F 2 97 ? 54.815 36.869 36.902 1.00 98.68 ? 97 ARG F CA 1 ATOM 8531 C C . ARG F 2 97 ? 54.627 37.947 37.972 1.00 105.40 ? 97 ARG F C 1 ATOM 8532 O O . ARG F 2 97 ? 54.282 37.647 39.117 1.00 111.14 ? 97 ARG F O 1 ATOM 8533 C CB . ARG F 2 97 ? 56.043 36.011 37.226 1.00 101.54 ? 97 ARG F CB 1 ATOM 8534 N N . ASP F 2 98 ? 54.850 39.199 37.577 1.00 105.59 ? 98 ASP F N 1 ATOM 8535 C CA . ASP F 2 98 ? 54.691 40.358 38.446 1.00 112.44 ? 98 ASP F CA 1 ATOM 8536 C C . ASP F 2 98 ? 53.214 40.655 38.700 1.00 111.83 ? 98 ASP F C 1 ATOM 8537 O O . ASP F 2 98 ? 52.418 40.750 37.765 1.00 105.28 ? 98 ASP F O 1 ATOM 8538 C CB . ASP F 2 98 ? 55.370 41.574 37.809 1.00 113.05 ? 98 ASP F CB 1 ATOM 8539 C CG . ASP F 2 98 ? 55.798 42.610 38.828 1.00 122.85 ? 98 ASP F CG 1 ATOM 8540 O OD1 . ASP F 2 98 ? 57.016 42.876 38.909 1.00 126.92 ? 98 ASP F OD1 1 ATOM 8541 O OD2 . ASP F 2 98 ? 54.927 43.154 39.544 1.00 126.90 ? 98 ASP F OD2 1 ATOM 8542 N N . THR G 3 3 ? 0.048 22.017 2.295 1.00 50.53 ? 1 THR G N 1 ATOM 8543 C CA . THR G 3 3 ? 0.585 23.371 2.638 1.00 48.94 ? 1 THR G CA 1 ATOM 8544 C C . THR G 3 3 ? 0.666 23.531 4.159 1.00 47.21 ? 1 THR G C 1 ATOM 8545 O O . THR G 3 3 ? 0.667 22.538 4.890 1.00 48.36 ? 1 THR G O 1 ATOM 8546 C CB . THR G 3 3 ? -0.282 24.514 2.026 1.00 46.58 ? 1 THR G CB 1 ATOM 8547 O OG1 . THR G 3 3 ? -1.513 24.635 2.752 1.00 43.82 ? 1 THR G OG1 1 ATOM 8548 C CG2 . THR G 3 3 ? -0.583 24.252 0.548 1.00 48.30 ? 1 THR G CG2 1 ATOM 8549 N N . GLN G 3 4 ? 0.734 24.776 4.628 1.00 44.83 ? 2 GLN G N 1 ATOM 8550 C CA . GLN G 3 4 ? 0.724 25.066 6.062 1.00 43.17 ? 2 GLN G CA 1 ATOM 8551 C C . GLN G 3 4 ? -0.688 25.259 6.609 1.00 40.32 ? 2 GLN G C 1 ATOM 8552 O O . GLN G 3 4 ? -0.911 25.150 7.814 1.00 39.65 ? 2 GLN G O 1 ATOM 8553 C CB . GLN G 3 4 ? 1.574 26.298 6.370 1.00 42.71 ? 2 GLN G CB 1 ATOM 8554 C CG . GLN G 3 4 ? 3.070 26.054 6.308 1.00 45.72 ? 2 GLN G CG 1 ATOM 8555 C CD . GLN G 3 4 ? 3.866 27.233 6.825 1.00 45.92 ? 2 GLN G CD 1 ATOM 8556 O OE1 . GLN G 3 4 ? 4.509 27.148 7.871 1.00 46.92 ? 2 GLN G OE1 1 ATOM 8557 N NE2 . GLN G 3 4 ? 3.815 28.351 6.103 1.00 45.59 ? 2 GLN G NE2 1 ATOM 8558 N N . VAL G 3 5 ? -1.631 25.562 5.721 1.00 38.97 ? 3 VAL G N 1 ATOM 8559 C CA . VAL G 3 5 ? -3.038 25.739 6.093 1.00 36.71 ? 3 VAL G CA 1 ATOM 8560 C C . VAL G 3 5 ? -3.922 24.864 5.199 1.00 37.18 ? 3 VAL G C 1 ATOM 8561 O O . VAL G 3 5 ? -4.055 25.119 4.000 1.00 37.54 ? 3 VAL G O 1 ATOM 8562 C CB . VAL G 3 5 ? -3.482 27.225 6.006 1.00 34.54 ? 3 VAL G CB 1 ATOM 8563 C CG1 . VAL G 3 5 ? -4.930 27.372 6.420 1.00 33.10 ? 3 VAL G CG1 1 ATOM 8564 C CG2 . VAL G 3 5 ? -2.616 28.098 6.887 1.00 34.14 ? 3 VAL G CG2 1 ATOM 8565 N N . GLU G 3 6 ? -4.514 23.829 5.787 1.00 37.53 ? 4 GLU G N 1 ATOM 8566 C CA . GLU G 3 6 ? -5.329 22.876 5.034 1.00 38.43 ? 4 GLU G CA 1 ATOM 8567 C C . GLU G 3 6 ? -6.801 22.990 5.405 1.00 36.34 ? 4 GLU G C 1 ATOM 8568 O O . GLU G 3 6 ? -7.148 23.100 6.587 1.00 35.51 ? 4 GLU G O 1 ATOM 8569 C CB . GLU G 3 6 ? -4.842 21.441 5.254 1.00 41.27 ? 4 GLU G CB 1 ATOM 8570 C CG . GLU G 3 6 ? -3.373 21.185 4.912 1.00 45.32 ? 4 GLU G CG 1 ATOM 8571 C CD . GLU G 3 6 ? -3.063 21.318 3.425 1.00 48.46 ? 4 GLU G CD 1 ATOM 8572 O OE1 . GLU G 3 6 ? -2.788 20.277 2.779 1.00 51.58 ? 4 GLU G OE1 1 ATOM 8573 O OE2 . GLU G 3 6 ? -3.089 22.460 2.907 1.00 47.49 ? 4 GLU G OE2 1 ATOM 8574 N N . GLN G 3 7 ? -7.661 22.965 4.390 1.00 35.63 ? 5 GLN G N 1 ATOM 8575 C CA . GLN G 3 7 ? -9.099 23.094 4.602 1.00 33.90 ? 5 GLN G CA 1 ATOM 8576 C C . GLN G 3 7 ? -9.862 21.874 4.118 1.00 34.86 ? 5 GLN G C 1 ATOM 8577 O O . GLN G 3 7 ? -9.510 21.269 3.107 1.00 36.48 ? 5 GLN G O 1 ATOM 8578 C CB . GLN G 3 7 ? -9.639 24.356 3.934 1.00 32.38 ? 5 GLN G CB 1 ATOM 8579 C CG . GLN G 3 7 ? -9.141 25.648 4.565 1.00 31.25 ? 5 GLN G CG 1 ATOM 8580 C CD . GLN G 3 7 ? -9.832 26.873 4.008 1.00 30.77 ? 5 GLN G CD 1 ATOM 8581 O OE1 . GLN G 3 7 ? -9.180 27.787 3.508 1.00 31.75 ? 5 GLN G OE1 1 ATOM 8582 N NE2 . GLN G 3 7 ? -11.160 26.898 4.087 1.00 30.16 ? 5 GLN G NE2 1 ATOM 8583 N N . SER G 3 8 ? -10.904 21.519 4.862 1.00 34.13 ? 6 SER G N 1 ATOM 8584 C CA . SER G 3 8 ? -11.734 20.362 4.557 1.00 35.16 ? 6 SER G CA 1 ATOM 8585 C C . SER G 3 8 ? -13.197 20.713 4.814 1.00 33.67 ? 6 SER G C 1 ATOM 8586 O O . SER G 3 8 ? -13.497 21.415 5.779 1.00 32.64 ? 6 SER G O 1 ATOM 8587 C CB . SER G 3 8 ? -11.310 19.172 5.420 1.00 37.27 ? 6 SER G CB 1 ATOM 8588 O OG . SER G 3 8 ? -11.951 17.977 5.016 1.00 39.04 ? 6 SER G OG 1 ATOM 8589 N N . PRO G 3 9 ? -14.112 20.262 3.937 1.00 33.93 ? 7 PRO G N 1 ATOM 8590 C CA . PRO G 3 9 ? -13.857 19.546 2.692 1.00 35.46 ? 7 PRO G CA 1 ATOM 8591 C C . PRO G 3 9 ? -13.443 20.505 1.579 1.00 34.85 ? 7 PRO G C 1 ATOM 8592 O O . PRO G 3 9 ? -13.435 21.719 1.787 1.00 33.04 ? 7 PRO G O 1 ATOM 8593 C CB . PRO G 3 9 ? -15.214 18.913 2.375 1.00 35.94 ? 7 PRO G CB 1 ATOM 8594 C CG . PRO G 3 9 ? -16.210 19.819 2.985 1.00 33.77 ? 7 PRO G CG 1 ATOM 8595 C CD . PRO G 3 9 ? -15.558 20.433 4.188 1.00 33.10 ? 7 PRO G CD 1 ATOM 8596 N N . GLN G 3 10 ? -13.094 19.958 0.418 1.00 36.69 ? 8 GLN G N 1 ATOM 8597 C CA . GLN G 3 10 ? -12.712 20.762 -0.739 1.00 36.92 ? 8 GLN G CA 1 ATOM 8598 C C . GLN G 3 10 ? -13.910 21.554 -1.245 1.00 35.55 ? 8 GLN G C 1 ATOM 8599 O O . GLN G 3 10 ? -13.810 22.754 -1.509 1.00 34.75 ? 8 GLN G O 1 ATOM 8600 C CB . GLN G 3 10 ? -12.150 19.869 -1.848 1.00 39.83 ? 8 GLN G CB 1 ATOM 8601 C CG . GLN G 3 10 ? -11.698 20.620 -3.092 1.00 41.19 ? 8 GLN G CG 1 ATOM 8602 C CD . GLN G 3 10 ? -10.720 19.821 -3.924 1.00 44.85 ? 8 GLN G CD 1 ATOM 8603 O OE1 . GLN G 3 10 ? -9.554 19.673 -3.557 1.00 45.96 ? 8 GLN G OE1 1 ATOM 8604 N NE2 . GLN G 3 10 ? -11.189 19.303 -5.054 1.00 47.19 ? 8 GLN G NE2 1 ATOM 8605 N N . SER G 3 11 ? -15.039 20.864 -1.372 1.00 35.71 ? 9 SER G N 1 ATOM 8606 C CA . SER G 3 11 ? -16.302 21.473 -1.749 1.00 34.64 ? 9 SER G CA 1 ATOM 8607 C C . SER G 3 11 ? -17.427 20.626 -1.187 1.00 34.65 ? 9 SER G C 1 ATOM 8608 O O . SER G 3 11 ? -17.232 19.442 -0.904 1.00 35.96 ? 9 SER G O 1 ATOM 8609 C CB . SER G 3 11 ? -16.428 21.575 -3.273 1.00 36.11 ? 9 SER G CB 1 ATOM 8610 O OG . SER G 3 11 ? -16.337 20.301 -3.880 1.00 38.24 ? 9 SER G OG 1 ATOM 8611 N N . LEU G 3 12 ? -18.598 21.235 -1.020 1.00 33.46 ? 10 LEU G N 1 ATOM 8612 C CA . LEU G 3 12 ? -19.779 20.521 -0.538 1.00 33.68 ? 10 LEU G CA 1 ATOM 8613 C C . LEU G 3 12 ? -21.072 21.166 -1.028 1.00 33.27 ? 10 LEU G C 1 ATOM 8614 O O . LEU G 3 12 ? -21.129 22.377 -1.249 1.00 32.45 ? 10 LEU G O 1 ATOM 8615 C CB . LEU G 3 12 ? -19.772 20.403 0.996 1.00 32.88 ? 10 LEU G CB 1 ATOM 8616 C CG . LEU G 3 12 ? -20.144 21.602 1.874 1.00 31.20 ? 10 LEU G CG 1 ATOM 8617 C CD1 . LEU G 3 12 ? -20.638 21.121 3.227 1.00 31.35 ? 10 LEU G CD1 1 ATOM 8618 C CD2 . LEU G 3 12 ? -18.988 22.576 2.035 1.00 29.73 ? 10 LEU G CD2 1 ATOM 8619 N N . VAL G 3 13 ? -22.103 20.344 -1.193 1.00 34.20 ? 11 VAL G N 1 ATOM 8620 C CA . VAL G 3 13 ? -23.400 20.805 -1.670 1.00 34.31 ? 11 VAL G CA 1 ATOM 8621 C C . VAL G 3 13 ? -24.462 20.552 -0.602 1.00 34.40 ? 11 VAL G C 1 ATOM 8622 O O . VAL G 3 13 ? -24.657 19.416 -0.178 1.00 35.60 ? 11 VAL G O 1 ATOM 8623 C CB . VAL G 3 13 ? -23.806 20.091 -2.981 1.00 35.93 ? 11 VAL G CB 1 ATOM 8624 C CG1 . VAL G 3 13 ? -25.144 20.598 -3.470 1.00 35.99 ? 11 VAL G CG1 1 ATOM 8625 C CG2 . VAL G 3 13 ? -22.748 20.284 -4.053 1.00 36.37 ? 11 VAL G CG2 1 ATOM 8626 N N . VAL G 3 14 ? -25.142 21.610 -0.168 1.00 33.69 ? 12 VAL G N 1 ATOM 8627 C CA . VAL G 3 14 ? -26.208 21.478 0.831 1.00 34.17 ? 12 VAL G CA 1 ATOM 8628 C C . VAL G 3 14 ? -27.552 22.021 0.335 1.00 34.86 ? 12 VAL G C 1 ATOM 8629 O O . VAL G 3 14 ? -27.600 22.883 -0.544 1.00 34.65 ? 12 VAL G O 1 ATOM 8630 C CB . VAL G 3 14 ? -25.838 22.139 2.195 1.00 33.21 ? 12 VAL G CB 1 ATOM 8631 C CG1 . VAL G 3 14 ? -24.585 21.514 2.776 1.00 32.95 ? 12 VAL G CG1 1 ATOM 8632 C CG2 . VAL G 3 14 ? -25.661 23.643 2.053 1.00 32.29 ? 12 VAL G CG2 1 ATOM 8633 N N . ARG G 3 15 ? -28.636 21.494 0.894 1.00 36.13 ? 13 ARG G N 1 ATOM 8634 C CA . ARG G 3 15 ? -29.972 22.026 0.649 1.00 37.15 ? 13 ARG G CA 1 ATOM 8635 C C . ARG G 3 15 ? -30.251 23.157 1.628 1.00 36.81 ? 13 ARG G C 1 ATOM 8636 O O . ARG G 3 15 ? -29.872 23.079 2.795 1.00 36.60 ? 13 ARG G O 1 ATOM 8637 C CB . ARG G 3 15 ? -31.033 20.934 0.793 1.00 38.82 ? 13 ARG G CB 1 ATOM 8638 C CG . ARG G 3 15 ? -31.165 20.013 -0.416 1.00 40.21 ? 13 ARG G CG 1 ATOM 8639 C CD . ARG G 3 15 ? -32.203 18.913 -0.184 1.00 43.10 ? 13 ARG G CD 1 ATOM 8640 N NE . ARG G 3 15 ? -31.932 18.153 1.040 1.00 44.58 ? 13 ARG G NE 1 ATOM 8641 C CZ . ARG G 3 15 ? -32.538 17.020 1.387 1.00 46.66 ? 13 ARG G CZ 1 ATOM 8642 N NH1 . ARG G 3 15 ? -33.464 16.475 0.605 1.00 48.37 ? 13 ARG G NH1 1 ATOM 8643 N NH2 . ARG G 3 15 ? -32.209 16.424 2.526 1.00 47.66 ? 13 ARG G NH2 1 ATOM 8644 N N . GLN G 3 16 ? -30.916 24.202 1.142 1.00 37.23 ? 14 GLN G N 1 ATOM 8645 C CA . GLN G 3 16 ? -31.277 25.370 1.947 1.00 37.61 ? 14 GLN G CA 1 ATOM 8646 C C . GLN G 3 16 ? -31.912 24.994 3.288 1.00 38.80 ? 14 GLN G C 1 ATOM 8647 O O . GLN G 3 16 ? -32.783 24.123 3.352 1.00 40.22 ? 14 GLN G O 1 ATOM 8648 C CB . GLN G 3 16 ? -32.229 26.257 1.146 1.00 38.92 ? 14 GLN G CB 1 ATOM 8649 C CG . GLN G 3 16 ? -32.718 27.504 1.859 1.00 39.87 ? 14 GLN G CG 1 ATOM 8650 C CD . GLN G 3 16 ? -33.925 28.111 1.180 1.00 41.98 ? 14 GLN G CD 1 ATOM 8651 O OE1 . GLN G 3 16 ? -33.999 28.173 -0.049 1.00 42.34 ? 14 GLN G OE1 1 ATOM 8652 N NE2 . GLN G 3 16 ? -34.882 28.562 1.979 1.00 43.85 ? 14 GLN G NE2 1 ATOM 8653 N N . GLY G 3 17 ? -31.466 25.652 4.355 1.00 38.54 ? 15 GLY G N 1 ATOM 8654 C CA . GLY G 3 17 ? -32.014 25.421 5.688 1.00 40.13 ? 15 GLY G CA 1 ATOM 8655 C C . GLY G 3 17 ? -31.221 24.421 6.509 1.00 39.83 ? 15 GLY G C 1 ATOM 8656 O O . GLY G 3 17 ? -31.466 24.259 7.712 1.00 41.11 ? 15 GLY G O 1 ATOM 8657 N N . GLU G 3 18 ? -30.276 23.744 5.858 1.00 38.33 ? 16 GLU G N 1 ATOM 8658 C CA . GLU G 3 18 ? -29.426 22.768 6.533 1.00 38.29 ? 16 GLU G CA 1 ATOM 8659 C C . GLU G 3 18 ? -28.169 23.445 7.058 1.00 36.63 ? 16 GLU G C 1 ATOM 8660 O O . GLU G 3 18 ? -27.763 24.484 6.550 1.00 35.33 ? 16 GLU G O 1 ATOM 8661 C CB . GLU G 3 18 ? -29.074 21.603 5.598 1.00 38.13 ? 16 GLU G CB 1 ATOM 8662 C CG . GLU G 3 18 ? -30.251 20.671 5.293 1.00 40.75 ? 16 GLU G CG 1 ATOM 8663 C CD . GLU G 3 18 ? -29.937 19.595 4.249 1.00 42.34 ? 16 GLU G CD 1 ATOM 8664 O OE1 . GLU G 3 18 ? -28.823 19.614 3.667 1.00 41.22 ? 16 GLU G OE1 1 ATOM 8665 O OE2 . GLU G 3 18 ? -30.817 18.729 4.011 1.00 43.82 ? 16 GLU G OE2 1 ATOM 8666 N N . ASN G 3 19 ? -27.575 22.863 8.093 1.00 37.11 ? 17 ASN G N 1 ATOM 8667 C CA . ASN G 3 19 ? -26.321 23.363 8.641 1.00 35.96 ? 17 ASN G CA 1 ATOM 8668 C C . ASN G 3 19 ? -25.133 22.652 8.017 1.00 34.95 ? 17 ASN G C 1 ATOM 8669 O O . ASN G 3 19 ? -25.241 21.498 7.591 1.00 35.76 ? 17 ASN G O 1 ATOM 8670 C CB . ASN G 3 19 ? -26.269 23.177 10.158 1.00 37.42 ? 17 ASN G CB 1 ATOM 8671 C CG . ASN G 3 19 ? -27.535 23.634 10.855 1.00 39.30 ? 17 ASN G CG 1 ATOM 8672 O OD1 . ASN G 3 19 ? -28.236 24.532 10.390 1.00 39.68 ? 17 ASN G OD1 1 ATOM 8673 N ND2 . ASN G 3 19 ? -27.827 23.018 11.990 1.00 41.26 ? 17 ASN G ND2 1 ATOM 8674 N N . CYS G 3 20 ? -24.001 23.345 7.962 1.00 33.54 ? 18 CYS G N 1 ATOM 8675 C CA . CYS G 3 20 ? -22.744 22.715 7.571 1.00 33.05 ? 18 CYS G CA 1 ATOM 8676 C C . CYS G 3 20 ? -21.596 23.193 8.449 1.00 32.52 ? 18 CYS G C 1 ATOM 8677 O O . CYS G 3 20 ? -21.626 24.304 8.981 1.00 32.06 ? 18 CYS G O 1 ATOM 8678 C CB . CYS G 3 20 ? -22.441 22.958 6.092 1.00 31.87 ? 18 CYS G CB 1 ATOM 8679 S SG . CYS G 3 20 ? -22.404 24.683 5.609 1.00 31.27 ? 18 CYS G SG 1 ATOM 8680 N N . VAL G 3 21 ? -20.596 22.334 8.614 1.00 33.04 ? 19 VAL G N 1 ATOM 8681 C CA . VAL G 3 21 ? -19.391 22.684 9.360 1.00 32.90 ? 19 VAL G CA 1 ATOM 8682 C C . VAL G 3 21 ? -18.175 22.641 8.434 1.00 32.04 ? 19 VAL G C 1 ATOM 8683 O O . VAL G 3 21 ? -18.012 21.698 7.659 1.00 32.76 ? 19 VAL G O 1 ATOM 8684 C CB . VAL G 3 21 ? -19.165 21.737 10.567 1.00 34.73 ? 19 VAL G CB 1 ATOM 8685 C CG1 . VAL G 3 21 ? -18.068 22.276 11.475 1.00 34.70 ? 19 VAL G CG1 1 ATOM 8686 C CG2 . VAL G 3 21 ? -20.452 21.558 11.358 1.00 36.59 ? 19 VAL G CG2 1 ATOM 8687 N N . LEU G 3 22 ? -17.330 23.662 8.515 1.00 30.95 ? 20 LEU G N 1 ATOM 8688 C CA . LEU G 3 22 ? -16.087 23.682 7.749 1.00 30.64 ? 20 LEU G CA 1 ATOM 8689 C C . LEU G 3 22 ? -14.887 23.535 8.683 1.00 31.41 ? 20 LEU G C 1 ATOM 8690 O O . LEU G 3 22 ? -14.924 24.001 9.823 1.00 31.56 ? 20 LEU G O 1 ATOM 8691 C CB . LEU G 3 22 ? -15.991 24.952 6.899 1.00 29.25 ? 20 LEU G CB 1 ATOM 8692 C CG . LEU G 3 22 ? -17.211 25.299 6.033 1.00 28.98 ? 20 LEU G CG 1 ATOM 8693 C CD1 . LEU G 3 22 ? -16.921 26.484 5.152 1.00 28.18 ? 20 LEU G CD1 1 ATOM 8694 C CD2 . LEU G 3 22 ? -17.675 24.127 5.181 1.00 30.39 ? 20 LEU G CD2 1 ATOM 8695 N N . GLN G 3 23 ? -13.839 22.867 8.203 1.00 32.34 ? 21 GLN G N 1 ATOM 8696 C CA . GLN G 3 23 ? -12.675 22.543 9.031 1.00 33.66 ? 21 GLN G CA 1 ATOM 8697 C C . GLN G 3 23 ? -11.409 23.214 8.506 1.00 32.92 ? 21 GLN G C 1 ATOM 8698 O O . GLN G 3 23 ? -11.183 23.271 7.296 1.00 32.81 ? 21 GLN G O 1 ATOM 8699 C CB . GLN G 3 23 ? -12.452 21.023 9.093 1.00 36.12 ? 21 GLN G CB 1 ATOM 8700 C CG . GLN G 3 23 ? -13.670 20.173 9.496 1.00 39.10 ? 21 GLN G CG 1 ATOM 8701 C CD . GLN G 3 23 ? -13.892 20.101 11.008 1.00 42.56 ? 21 GLN G CD 1 ATOM 8702 O OE1 . GLN G 3 23 ? -14.067 21.125 11.672 1.00 42.56 ? 21 GLN G OE1 1 ATOM 8703 N NE2 . GLN G 3 23 ? -13.903 18.882 11.551 1.00 45.12 ? 21 GLN G NE2 1 ATOM 8704 N N . CYS G 3 24 ? -10.585 23.710 9.425 1.00 32.83 ? 22 CYS G N 1 ATOM 8705 C CA . CYS G 3 24 ? -9.284 24.288 9.092 1.00 32.67 ? 22 CYS G CA 1 ATOM 8706 C C . CYS G 3 24 ? -8.207 23.686 9.990 1.00 34.11 ? 22 CYS G C 1 ATOM 8707 O O . CYS G 3 24 ? -8.351 23.673 11.212 1.00 34.75 ? 22 CYS G O 1 ATOM 8708 C CB . CYS G 3 24 ? -9.316 25.815 9.248 1.00 31.23 ? 22 CYS G CB 1 ATOM 8709 S SG . CYS G 3 24 ? -7.811 26.656 8.708 1.00 31.76 ? 22 CYS G SG 1 ATOM 8710 N N . ASN G 3 25 ? -7.142 23.174 9.380 1.00 35.11 ? 23 ASN G N 1 ATOM 8711 C CA . ASN G 3 25 ? -6.017 22.592 10.119 1.00 36.78 ? 23 ASN G CA 1 ATOM 8712 C C . ASN G 3 25 ? -4.705 23.204 9.669 1.00 36.71 ? 23 ASN G C 1 ATOM 8713 O O . ASN G 3 25 ? -4.421 23.272 8.475 1.00 36.97 ? 23 ASN G O 1 ATOM 8714 C CB . ASN G 3 25 ? -5.975 21.074 9.945 1.00 39.33 ? 23 ASN G CB 1 ATOM 8715 C CG . ASN G 3 25 ? -7.093 20.371 10.688 1.00 40.15 ? 23 ASN G CG 1 ATOM 8716 O OD1 . ASN G 3 25 ? -7.002 20.135 11.895 1.00 41.20 ? 23 ASN G OD1 1 ATOM 8717 N ND2 . ASN G 3 25 ? -8.155 20.028 9.967 1.00 40.08 ? 23 ASN G ND2 1 ATOM 8718 N N . TYR G 3 26 ? -3.904 23.651 10.626 1.00 36.69 ? 24 TYR G N 1 ATOM 8719 C CA . TYR G 3 26 ? -2.698 24.398 10.303 1.00 36.56 ? 24 TYR G CA 1 ATOM 8720 C C . TYR G 3 26 ? -1.510 23.957 11.147 1.00 38.79 ? 24 TYR G C 1 ATOM 8721 O O . TYR G 3 26 ? -1.680 23.315 12.185 1.00 39.89 ? 24 TYR G O 1 ATOM 8722 C CB . TYR G 3 26 ? -2.948 25.904 10.460 1.00 34.22 ? 24 TYR G CB 1 ATOM 8723 C CG . TYR G 3 26 ? -3.273 26.331 11.874 1.00 33.20 ? 24 TYR G CG 1 ATOM 8724 C CD1 . TYR G 3 26 ? -2.258 26.664 12.767 1.00 33.91 ? 24 TYR G CD1 1 ATOM 8725 C CD2 . TYR G 3 26 ? -4.590 26.398 12.321 1.00 31.77 ? 24 TYR G CD2 1 ATOM 8726 C CE1 . TYR G 3 26 ? -2.543 27.053 14.065 1.00 33.75 ? 24 TYR G CE1 1 ATOM 8727 C CE2 . TYR G 3 26 ? -4.885 26.786 13.627 1.00 31.66 ? 24 TYR G CE2 1 ATOM 8728 C CZ . TYR G 3 26 ? -3.854 27.115 14.490 1.00 32.74 ? 24 TYR G CZ 1 ATOM 8729 O OH . TYR G 3 26 ? -4.122 27.500 15.782 1.00 33.38 ? 24 TYR G OH 1 ATOM 8730 N N . SER G 3 27 ? -0.312 24.312 10.692 1.00 39.70 ? 25 SER G N 1 ATOM 8731 C CA . SER G 3 27 ? 0.926 23.996 11.402 1.00 41.99 ? 25 SER G CA 1 ATOM 8732 C C . SER G 3 27 ? 1.750 25.258 11.669 1.00 41.29 ? 25 SER G C 1 ATOM 8733 O O . SER G 3 27 ? 2.849 25.187 12.232 1.00 43.04 ? 25 SER G O 1 ATOM 8734 C CB . SER G 3 27 ? 1.744 22.981 10.604 1.00 44.77 ? 25 SER G CB 1 ATOM 8735 O OG . SER G 3 27 ? 1.889 23.400 9.258 1.00 44.34 ? 25 SER G OG 1 ATOM 8736 N N . VAL G 3 28 ? 1.197 26.403 11.269 1.00 38.91 ? 26 VAL G N 1 ATOM 8737 C CA . VAL G 3 28 ? 1.852 27.711 11.373 1.00 38.32 ? 26 VAL G CA 1 ATOM 8738 C C . VAL G 3 28 ? 2.362 27.992 12.791 1.00 39.00 ? 26 VAL G C 1 ATOM 8739 O O . VAL G 3 28 ? 1.620 27.836 13.762 1.00 38.68 ? 26 VAL G O 1 ATOM 8740 C CB . VAL G 3 28 ? 0.894 28.845 10.906 1.00 35.84 ? 26 VAL G CB 1 ATOM 8741 C CG1 . VAL G 3 28 ? 1.529 30.221 11.078 1.00 35.36 ? 26 VAL G CG1 1 ATOM 8742 C CG2 . VAL G 3 28 ? 0.479 28.630 9.458 1.00 35.77 ? 26 VAL G CG2 1 ATOM 8743 N N . THR G 3 29 ? 3.630 28.394 12.890 1.00 40.31 ? 27 THR G N 1 ATOM 8744 C CA . THR G 3 29 ? 4.267 28.705 14.171 1.00 41.28 ? 27 THR G CA 1 ATOM 8745 C C . THR G 3 29 ? 4.888 30.108 14.148 1.00 40.64 ? 27 THR G C 1 ATOM 8746 O O . THR G 3 29 ? 5.721 30.400 13.291 1.00 41.49 ? 27 THR G O 1 ATOM 8747 C CB . THR G 3 29 ? 5.355 27.664 14.529 1.00 44.33 ? 27 THR G CB 1 ATOM 8748 O OG1 . THR G 3 29 ? 4.795 26.347 14.477 1.00 45.67 ? 27 THR G OG1 1 ATOM 8749 C CG2 . THR G 3 29 ? 5.918 27.914 15.926 1.00 45.61 ? 27 THR G CG2 1 ATOM 8750 N N . PRO G 3 30 ? 4.466 30.989 15.077 1.00 39.54 ? 28 PRO G N 1 ATOM 8751 C CA . PRO G 3 30 ? 3.393 30.755 16.036 1.00 38.85 ? 28 PRO G CA 1 ATOM 8752 C C . PRO G 3 30 ? 2.031 31.100 15.438 1.00 36.73 ? 28 PRO G C 1 ATOM 8753 O O . PRO G 3 30 ? 1.954 31.556 14.295 1.00 35.64 ? 28 PRO G O 1 ATOM 8754 C CB . PRO G 3 30 ? 3.734 31.705 17.193 1.00 39.23 ? 28 PRO G CB 1 ATOM 8755 C CG . PRO G 3 30 ? 4.878 32.570 16.713 1.00 39.45 ? 28 PRO G CG 1 ATOM 8756 C CD . PRO G 3 30 ? 5.063 32.322 15.258 1.00 39.29 ? 28 PRO G CD 1 ATOM 8757 N N . ASP G 3 31 ? 0.974 30.860 16.209 1.00 36.39 ? 29 ASP G N 1 ATOM 8758 C CA . ASP G 3 31 ? -0.395 31.088 15.760 1.00 34.67 ? 29 ASP G CA 1 ATOM 8759 C C . ASP G 3 31 ? -1.092 32.105 16.655 1.00 34.20 ? 29 ASP G C 1 ATOM 8760 O O . ASP G 3 31 ? -1.656 31.756 17.697 1.00 35.16 ? 29 ASP G O 1 ATOM 8761 C CB . ASP G 3 31 ? -1.183 29.768 15.689 1.00 35.02 ? 29 ASP G CB 1 ATOM 8762 C CG . ASP G 3 31 ? -1.099 28.937 16.978 1.00 37.19 ? 29 ASP G CG 1 ATOM 8763 O OD1 . ASP G 3 31 ? -0.111 29.056 17.738 1.00 38.05 ? 29 ASP G OD1 1 ATOM 8764 O OD2 . ASP G 3 31 ? -2.035 28.142 17.221 1.00 38.06 ? 29 ASP G OD2 1 ATOM 8765 N N . ASN G 3 32 ? -1.033 33.369 16.246 1.00 33.22 ? 30 ASN G N 1 ATOM 8766 C CA . ASN G 3 32 ? -1.622 34.460 17.014 1.00 33.14 ? 30 ASN G CA 1 ATOM 8767 C C . ASN G 3 32 ? -3.143 34.478 16.902 1.00 32.25 ? 30 ASN G C 1 ATOM 8768 O O . ASN G 3 32 ? -3.847 34.412 17.911 1.00 32.96 ? 30 ASN G O 1 ATOM 8769 C CB . ASN G 3 32 ? -1.026 35.805 16.580 1.00 33.05 ? 30 ASN G CB 1 ATOM 8770 C CG . ASN G 3 32 ? -1.717 36.996 17.225 1.00 33.29 ? 30 ASN G CG 1 ATOM 8771 O OD1 . ASN G 3 32 ? -2.562 37.645 16.608 1.00 32.71 ? 30 ASN G OD1 1 ATOM 8772 N ND2 . ASN G 3 32 ? -1.361 37.288 18.470 1.00 34.62 ? 30 ASN G ND2 1 ATOM 8773 N N . HIS G 3 33 ? -3.641 34.560 15.673 1.00 31.01 ? 31 HIS G N 1 ATOM 8774 C CA . HIS G 3 33 ? -5.078 34.643 15.430 1.00 30.43 ? 31 HIS G CA 1 ATOM 8775 C C . HIS G 3 33 ? -5.466 33.872 14.175 1.00 29.47 ? 31 HIS G C 1 ATOM 8776 O O . HIS G 3 33 ? -4.635 33.655 13.286 1.00 29.45 ? 31 HIS G O 1 ATOM 8777 C CB . HIS G 3 33 ? -5.513 36.105 15.297 1.00 30.37 ? 31 HIS G CB 1 ATOM 8778 C CG . HIS G 3 33 ? -4.937 36.794 14.101 1.00 29.97 ? 31 HIS G CG 1 ATOM 8779 N ND1 . HIS G 3 33 ? -3.673 37.343 14.096 1.00 30.72 ? 31 HIS G ND1 1 ATOM 8780 C CD2 . HIS G 3 33 ? -5.443 37.005 12.863 1.00 29.36 ? 31 HIS G CD2 1 ATOM 8781 C CE1 . HIS G 3 33 ? -3.431 37.873 12.911 1.00 30.63 ? 31 HIS G CE1 1 ATOM 8782 N NE2 . HIS G 3 33 ? -4.489 37.681 12.144 1.00 29.77 ? 31 HIS G NE2 1 ATOM 8783 N N . LEU G 3 34 ? -6.730 33.466 14.110 1.00 29.04 ? 32 LEU G N 1 ATOM 8784 C CA . LEU G 3 34 ? -7.259 32.763 12.947 1.00 28.24 ? 32 LEU G CA 1 ATOM 8785 C C . LEU G 3 34 ? -8.505 33.485 12.455 1.00 27.72 ? 32 LEU G C 1 ATOM 8786 O O . LEU G 3 34 ? -9.405 33.787 13.242 1.00 28.29 ? 32 LEU G O 1 ATOM 8787 C CB . LEU G 3 34 ? -7.563 31.304 13.300 1.00 28.67 ? 32 LEU G CB 1 ATOM 8788 C CG . LEU G 3 34 ? -7.883 30.327 12.168 1.00 28.47 ? 32 LEU G CG 1 ATOM 8789 C CD1 . LEU G 3 34 ? -7.310 28.964 12.470 1.00 29.02 ? 32 LEU G CD1 1 ATOM 8790 C CD2 . LEU G 3 34 ? -9.385 30.241 11.917 1.00 28.40 ? 32 LEU G CD2 1 ATOM 8791 N N . ARG G 3 35 ? -8.546 33.768 11.158 1.00 27.03 ? 33 ARG G N 1 ATOM 8792 C CA . ARG G 3 35 ? -9.630 34.541 10.573 1.00 26.92 ? 33 ARG G CA 1 ATOM 8793 C C . ARG G 3 35 ? -10.338 33.768 9.461 1.00 26.60 ? 33 ARG G C 1 ATOM 8794 O O . ARG G 3 35 ? -9.690 33.103 8.648 1.00 26.48 ? 33 ARG G O 1 ATOM 8795 C CB . ARG G 3 35 ? -9.095 35.873 10.045 1.00 27.29 ? 33 ARG G CB 1 ATOM 8796 C CG . ARG G 3 35 ? -10.169 36.826 9.538 1.00 27.77 ? 33 ARG G CG 1 ATOM 8797 C CD . ARG G 3 35 ? -9.568 37.994 8.773 1.00 28.12 ? 33 ARG G CD 1 ATOM 8798 N NE . ARG G 3 35 ? -8.805 38.907 9.626 1.00 29.40 ? 33 ARG G NE 1 ATOM 8799 C CZ . ARG G 3 35 ? -9.337 39.875 10.368 1.00 30.32 ? 33 ARG G CZ 1 ATOM 8800 N NH1 . ARG G 3 35 ? -10.649 40.063 10.390 1.00 30.88 ? 33 ARG G NH1 1 ATOM 8801 N NH2 . ARG G 3 35 ? -8.554 40.656 11.100 1.00 31.26 ? 33 ARG G NH2 1 ATOM 8802 N N . TRP G 3 36 ? -11.667 33.861 9.439 1.00 26.62 ? 34 TRP G N 1 ATOM 8803 C CA . TRP G 3 36 ? -12.479 33.220 8.410 1.00 26.53 ? 34 TRP G CA 1 ATOM 8804 C C . TRP G 3 36 ? -13.014 34.243 7.416 1.00 27.02 ? 34 TRP G C 1 ATOM 8805 O O . TRP G 3 36 ? -13.716 35.185 7.796 1.00 27.77 ? 34 TRP G O 1 ATOM 8806 C CB . TRP G 3 36 ? -13.643 32.448 9.035 1.00 26.72 ? 34 TRP G CB 1 ATOM 8807 C CG . TRP G 3 36 ? -13.284 31.077 9.532 1.00 26.56 ? 34 TRP G CG 1 ATOM 8808 C CD1 . TRP G 3 36 ? -12.986 30.724 10.813 1.00 27.03 ? 34 TRP G CD1 1 ATOM 8809 C CD2 . TRP G 3 36 ? -13.201 29.874 8.756 1.00 26.54 ? 34 TRP G CD2 1 ATOM 8810 N NE1 . TRP G 3 36 ? -12.720 29.378 10.887 1.00 27.44 ? 34 TRP G NE1 1 ATOM 8811 C CE2 . TRP G 3 36 ? -12.842 28.832 9.638 1.00 27.20 ? 34 TRP G CE2 1 ATOM 8812 C CE3 . TRP G 3 36 ? -13.393 29.576 7.400 1.00 26.47 ? 34 TRP G CE3 1 ATOM 8813 C CZ2 . TRP G 3 36 ? -12.667 27.513 9.210 1.00 27.95 ? 34 TRP G CZ2 1 ATOM 8814 C CZ3 . TRP G 3 36 ? -13.221 28.262 6.974 1.00 26.80 ? 34 TRP G CZ3 1 ATOM 8815 C CH2 . TRP G 3 36 ? -12.859 27.249 7.877 1.00 27.66 ? 34 TRP G CH2 1 ATOM 8816 N N . PHE G 3 37 ? -12.676 34.050 6.144 1.00 27.08 ? 35 PHE G N 1 ATOM 8817 C CA . PHE G 3 37 ? -13.149 34.920 5.069 1.00 27.65 ? 35 PHE G CA 1 ATOM 8818 C C . PHE G 3 37 ? -14.251 34.252 4.267 1.00 27.69 ? 35 PHE G C 1 ATOM 8819 O O . PHE G 3 37 ? -14.334 33.023 4.206 1.00 27.34 ? 35 PHE G O 1 ATOM 8820 C CB . PHE G 3 37 ? -12.010 35.282 4.114 1.00 28.19 ? 35 PHE G CB 1 ATOM 8821 C CG . PHE G 3 37 ? -11.210 36.474 4.537 1.00 28.90 ? 35 PHE G CG 1 ATOM 8822 C CD1 . PHE G 3 37 ? -11.772 37.748 4.525 1.00 29.94 ? 35 PHE G CD1 1 ATOM 8823 C CD2 . PHE G 3 37 ? -9.882 36.331 4.927 1.00 29.32 ? 35 PHE G CD2 1 ATOM 8824 C CE1 . PHE G 3 37 ? -11.032 38.862 4.906 1.00 30.80 ? 35 PHE G CE1 1 ATOM 8825 C CE2 . PHE G 3 37 ? -9.126 37.440 5.310 1.00 30.44 ? 35 PHE G CE2 1 ATOM 8826 C CZ . PHE G 3 37 ? -9.706 38.712 5.299 1.00 31.14 ? 35 PHE G CZ 1 ATOM 8827 N N . LYS G 3 38 ? -15.090 35.077 3.652 1.00 28.45 ? 36 LYS G N 1 ATOM 8828 C CA . LYS G 3 38 ? -16.062 34.625 2.670 1.00 28.75 ? 36 LYS G CA 1 ATOM 8829 C C . LYS G 3 38 ? -15.786 35.377 1.376 1.00 30.08 ? 36 LYS G C 1 ATOM 8830 O O . LYS G 3 38 ? -15.571 36.589 1.390 1.00 31.17 ? 36 LYS G O 1 ATOM 8831 C CB . LYS G 3 38 ? -17.483 34.908 3.154 1.00 29.11 ? 36 LYS G CB 1 ATOM 8832 C CG . LYS G 3 38 ? -18.568 34.446 2.205 1.00 29.63 ? 36 LYS G CG 1 ATOM 8833 C CD . LYS G 3 38 ? -19.904 35.049 2.570 1.00 30.78 ? 36 LYS G CD 1 ATOM 8834 C CE . LYS G 3 38 ? -20.937 34.754 1.499 1.00 31.88 ? 36 LYS G CE 1 ATOM 8835 N NZ . LYS G 3 38 ? -22.161 35.568 1.697 1.00 34.08 ? 36 LYS G NZ 1 ATOM 8836 N N . GLN G 3 39 ? -15.782 34.655 0.263 1.00 30.48 ? 37 GLN G N 1 ATOM 8837 C CA . GLN G 3 39 ? -15.540 35.257 -1.034 1.00 32.32 ? 37 GLN G CA 1 ATOM 8838 C C . GLN G 3 39 ? -16.582 34.776 -2.025 1.00 33.50 ? 37 GLN G C 1 ATOM 8839 O O . GLN G 3 39 ? -16.572 33.610 -2.422 1.00 33.36 ? 37 GLN G O 1 ATOM 8840 C CB . GLN G 3 39 ? -14.140 34.904 -1.533 1.00 32.50 ? 37 GLN G CB 1 ATOM 8841 C CG . GLN G 3 39 ? -13.737 35.621 -2.814 1.00 34.52 ? 37 GLN G CG 1 ATOM 8842 C CD . GLN G 3 39 ? -12.436 35.110 -3.401 1.00 35.04 ? 37 GLN G CD 1 ATOM 8843 O OE1 . GLN G 3 39 ? -12.133 33.918 -3.335 1.00 34.85 ? 37 GLN G OE1 1 ATOM 8844 N NE2 . GLN G 3 39 ? -11.661 36.013 -3.990 1.00 36.56 ? 37 GLN G NE2 1 ATOM 8845 N N . ASP G 3 40 ? -17.487 35.671 -2.409 1.00 35.23 ? 38 ASP G N 1 ATOM 8846 C CA . ASP G 3 40 ? -18.452 35.390 -3.466 1.00 37.10 ? 38 ASP G CA 1 ATOM 8847 C C . ASP G 3 40 ? -17.725 35.291 -4.803 1.00 38.97 ? 38 ASP G C 1 ATOM 8848 O O . ASP G 3 40 ? -16.673 35.913 -4.991 1.00 39.80 ? 38 ASP G O 1 ATOM 8849 C CB . ASP G 3 40 ? -19.525 36.482 -3.527 1.00 39.01 ? 38 ASP G CB 1 ATOM 8850 C CG . ASP G 3 40 ? -20.431 36.485 -2.306 1.00 38.63 ? 38 ASP G CG 1 ATOM 8851 O OD1 . ASP G 3 40 ? -20.964 35.411 -1.954 1.00 38.67 ? 38 ASP G OD1 1 ATOM 8852 O OD2 . ASP G 3 40 ? -20.618 37.564 -1.703 1.00 40.01 ? 38 ASP G OD2 1 ATOM 8853 N N . THR G 3 41 ? -18.286 34.507 -5.722 1.00 40.00 ? 39 THR G N 1 ATOM 8854 C CA . THR G 3 41 ? -17.642 34.224 -7.009 1.00 42.13 ? 39 THR G CA 1 ATOM 8855 C C . THR G 3 41 ? -17.238 35.509 -7.723 1.00 44.67 ? 39 THR G C 1 ATOM 8856 O O . THR G 3 41 ? -18.070 36.385 -7.965 1.00 46.20 ? 39 THR G O 1 ATOM 8857 C CB . THR G 3 41 ? -18.544 33.388 -7.942 1.00 43.29 ? 39 THR G CB 1 ATOM 8858 O OG1 . THR G 3 41 ? -19.675 34.173 -8.336 1.00 45.15 ? 39 THR G OG1 1 ATOM 8859 C CG2 . THR G 3 41 ? -19.020 32.104 -7.248 1.00 41.19 ? 39 THR G CG2 1 ATOM 8860 N N . GLY G 3 42 ? -15.948 35.612 -8.030 1.00 45.57 ? 40 GLY G N 1 ATOM 8861 C CA . GLY G 3 42 ? -15.389 36.770 -8.719 1.00 48.32 ? 40 GLY G CA 1 ATOM 8862 C C . GLY G 3 42 ? -15.485 38.068 -7.940 1.00 48.13 ? 40 GLY G C 1 ATOM 8863 O O . GLY G 3 42 ? -15.708 39.129 -8.525 1.00 50.91 ? 40 GLY G O 1 ATOM 8864 N N . LYS G 3 43 ? -15.317 37.992 -6.620 1.00 45.14 ? 41 LYS G N 1 ATOM 8865 C CA . LYS G 3 43 ? -15.434 39.179 -5.771 1.00 44.81 ? 41 LYS G CA 1 ATOM 8866 C C . LYS G 3 43 ? -14.387 39.241 -4.654 1.00 42.59 ? 41 LYS G C 1 ATOM 8867 O O . LYS G 3 43 ? -13.410 38.487 -4.665 1.00 41.50 ? 41 LYS G O 1 ATOM 8868 C CB . LYS G 3 43 ? -16.865 39.329 -5.228 1.00 44.30 ? 41 LYS G CB 1 ATOM 8869 C CG . LYS G 3 43 ? -17.865 39.835 -6.274 1.00 47.47 ? 41 LYS G CG 1 ATOM 8870 C CD . LYS G 3 43 ? -19.243 40.079 -5.684 1.00 48.31 ? 41 LYS G CD 1 ATOM 8871 N N . GLY G 3 44 ? -14.593 40.156 -3.709 1.00 42.08 ? 42 GLY G N 1 ATOM 8872 C CA . GLY G 3 44 ? -13.618 40.434 -2.663 1.00 40.52 ? 42 GLY G CA 1 ATOM 8873 C C . GLY G 3 44 ? -13.784 39.601 -1.410 1.00 37.50 ? 42 GLY G C 1 ATOM 8874 O O . GLY G 3 44 ? -14.775 38.884 -1.242 1.00 36.44 ? 42 GLY G O 1 ATOM 8875 N N . LEU G 3 45 ? -12.800 39.710 -0.524 1.00 36.32 ? 43 LEU G N 1 ATOM 8876 C CA . LEU G 3 45 ? -12.783 38.958 0.719 1.00 33.75 ? 43 LEU G CA 1 ATOM 8877 C C . LEU G 3 45 ? -13.554 39.683 1.810 1.00 33.63 ? 43 LEU G C 1 ATOM 8878 O O . LEU G 3 45 ? -13.175 40.774 2.219 1.00 34.78 ? 43 LEU G O 1 ATOM 8879 C CB . LEU G 3 45 ? -11.339 38.707 1.172 1.00 33.08 ? 43 LEU G CB 1 ATOM 8880 C CG . LEU G 3 45 ? -10.402 37.767 0.395 1.00 32.82 ? 43 LEU G CG 1 ATOM 8881 C CD1 . LEU G 3 45 ? -11.130 36.546 -0.132 1.00 31.43 ? 43 LEU G CD1 1 ATOM 8882 C CD2 . LEU G 3 45 ? -9.702 38.497 -0.740 1.00 35.24 ? 43 LEU G CD2 1 ATOM 8883 N N . VAL G 3 46 ? -14.640 39.070 2.271 1.00 32.80 ? 44 VAL G N 1 ATOM 8884 C CA . VAL G 3 46 ? -15.437 39.601 3.382 1.00 32.98 ? 44 VAL G CA 1 ATOM 8885 C C . VAL G 3 46 ? -15.101 38.818 4.652 1.00 31.04 ? 44 VAL G C 1 ATOM 8886 O O . VAL G 3 46 ? -15.198 37.593 4.673 1.00 29.75 ? 44 VAL G O 1 ATOM 8887 C CB . VAL G 3 46 ? -16.969 39.528 3.087 1.00 33.85 ? 44 VAL G CB 1 ATOM 8888 C CG1 . VAL G 3 46 ? -17.789 40.020 4.281 1.00 34.31 ? 44 VAL G CG1 1 ATOM 8889 C CG2 . VAL G 3 46 ? -17.317 40.331 1.845 1.00 35.97 ? 44 VAL G CG2 1 ATOM 8890 N N . SER G 3 47 ? -14.700 39.533 5.697 1.00 31.27 ? 45 SER G N 1 ATOM 8891 C CA . SER G 3 47 ? -14.322 38.917 6.971 1.00 30.17 ? 45 SER G CA 1 ATOM 8892 C C . SER G 3 47 ? -15.560 38.527 7.774 1.00 30.54 ? 45 SER G C 1 ATOM 8893 O O . SER G 3 47 ? -16.463 39.342 7.978 1.00 32.17 ? 45 SER G O 1 ATOM 8894 C CB . SER G 3 47 ? -13.428 39.869 7.778 1.00 30.72 ? 45 SER G CB 1 ATOM 8895 O OG . SER G 3 47 ? -13.161 39.368 9.073 1.00 29.11 ? 45 SER G OG 1 ATOM 8896 N N . LEU G 3 48 ? -15.598 37.277 8.226 1.00 29.55 ? 46 LEU G N 1 ATOM 8897 C CA . LEU G 3 48 ? -16.752 36.761 8.966 1.00 30.04 ? 46 LEU G CA 1 ATOM 8898 C C . LEU G 3 48 ? -16.529 36.816 10.469 1.00 30.67 ? 46 LEU G C 1 ATOM 8899 O O . LEU G 3 48 ? -17.447 37.146 11.223 1.00 32.16 ? 46 LEU G O 1 ATOM 8900 C CB . LEU G 3 48 ? -17.090 35.331 8.534 1.00 28.91 ? 46 LEU G CB 1 ATOM 8901 C CG . LEU G 3 48 ? -17.347 35.101 7.044 1.00 28.51 ? 46 LEU G CG 1 ATOM 8902 C CD1 . LEU G 3 48 ? -17.567 33.621 6.750 1.00 27.00 ? 46 LEU G CD1 1 ATOM 8903 C CD2 . LEU G 3 48 ? -18.520 35.950 6.558 1.00 29.59 ? 46 LEU G CD2 1 ATOM 8904 N N . THR G 3 49 ? -15.308 36.491 10.889 1.00 29.93 ? 47 THR G N 1 ATOM 8905 C CA . THR G 3 49 ? -14.922 36.500 12.295 1.00 30.76 ? 47 THR G CA 1 ATOM 8906 C C . THR G 3 49 ? -13.433 36.217 12.458 1.00 30.00 ? 47 THR G C 1 ATOM 8907 O O . THR G 3 49 ? -12.809 35.580 11.603 1.00 28.99 ? 47 THR G O 1 ATOM 8908 C CB . THR G 3 49 ? -15.738 35.476 13.138 1.00 31.38 ? 47 THR G CB 1 ATOM 8909 O OG1 . THR G 3 49 ? -15.422 35.641 14.524 1.00 33.13 ? 47 THR G OG1 1 ATOM 8910 C CG2 . THR G 3 49 ? -15.446 34.032 12.715 1.00 29.95 ? 47 THR G CG2 1 ATOM 8911 N N . VAL G 3 50 ? -12.870 36.697 13.561 1.00 30.89 ? 48 VAL G N 1 ATOM 8912 C CA . VAL G 3 50 ? -11.486 36.403 13.901 1.00 30.44 ? 48 VAL G CA 1 ATOM 8913 C C . VAL G 3 50 ? -11.413 35.786 15.296 1.00 31.39 ? 48 VAL G C 1 ATOM 8914 O O . VAL G 3 50 ? -12.080 36.242 16.228 1.00 33.07 ? 48 VAL G O 1 ATOM 8915 C CB . VAL G 3 50 ? -10.561 37.646 13.741 1.00 30.81 ? 48 VAL G CB 1 ATOM 8916 C CG1 . VAL G 3 50 ? -11.020 38.809 14.616 1.00 32.65 ? 48 VAL G CG1 1 ATOM 8917 C CG2 . VAL G 3 50 ? -9.100 37.286 14.013 1.00 30.43 ? 48 VAL G CG2 1 ATOM 8918 N N . LEU G 3 51 ? -10.625 34.724 15.414 1.00 30.84 ? 49 LEU G N 1 ATOM 8919 C CA . LEU G 3 51 ? -10.468 34.000 16.665 1.00 31.88 ? 49 LEU G CA 1 ATOM 8920 C C . LEU G 3 51 ? -9.057 34.219 17.183 1.00 32.20 ? 49 LEU G C 1 ATOM 8921 O O . LEU G 3 51 ? -8.100 34.270 16.406 1.00 31.24 ? 49 LEU G O 1 ATOM 8922 C CB . LEU G 3 51 ? -10.746 32.514 16.457 1.00 31.72 ? 49 LEU G CB 1 ATOM 8923 C CG . LEU G 3 51 ? -12.173 32.150 16.047 1.00 31.50 ? 49 LEU G CG 1 ATOM 8924 C CD1 . LEU G 3 51 ? -12.148 31.108 14.940 1.00 30.55 ? 49 LEU G CD1 1 ATOM 8925 C CD2 . LEU G 3 51 ? -12.989 31.674 17.241 1.00 33.21 ? 49 LEU G CD2 1 ATOM 8926 N N . VAL G 3 52 ? -8.933 34.319 18.501 1.00 33.80 ? 50 VAL G N 1 ATOM 8927 C CA . VAL G 3 52 ? -7.752 34.906 19.119 1.00 34.40 ? 50 VAL G CA 1 ATOM 8928 C C . VAL G 3 52 ? -7.169 34.065 20.259 1.00 36.14 ? 50 VAL G C 1 ATOM 8929 O O . VAL G 3 52 ? -5.954 33.864 20.334 1.00 36.27 ? 50 VAL G O 1 ATOM 8930 C CB . VAL G 3 52 ? -8.083 36.359 19.580 1.00 35.21 ? 50 VAL G CB 1 ATOM 8931 C CG1 . VAL G 3 52 ? -7.387 36.729 20.873 1.00 37.18 ? 50 VAL G CG1 1 ATOM 8932 C CG2 . VAL G 3 52 ? -7.760 37.344 18.472 1.00 33.73 ? 50 VAL G CG2 1 ATOM 8933 N N . ASP G 3 53 ? -8.039 33.568 21.133 1.00 37.87 ? 51 ASP G N 1 ATOM 8934 C CA . ASP G 3 53 ? -7.608 32.885 22.349 1.00 40.28 ? 51 ASP G CA 1 ATOM 8935 C C . ASP G 3 53 ? -7.112 31.455 22.105 1.00 40.24 ? 51 ASP G C 1 ATOM 8936 O O . ASP G 3 53 ? -7.267 30.911 21.007 1.00 38.44 ? 51 ASP G O 1 ATOM 8937 C CB . ASP G 3 53 ? -8.731 32.915 23.395 1.00 42.78 ? 51 ASP G CB 1 ATOM 8938 C CG . ASP G 3 53 ? -9.054 34.330 23.876 1.00 44.02 ? 51 ASP G CG 1 ATOM 8939 O OD1 . ASP G 3 53 ? -8.143 35.192 23.890 1.00 43.87 ? 51 ASP G OD1 1 ATOM 8940 O OD2 . ASP G 3 53 ? -10.224 34.579 24.247 1.00 45.88 ? 51 ASP G OD2 1 ATOM 8941 N N . GLN G 3 54 ? -6.496 30.872 23.136 1.00 42.46 ? 52 GLN G N 1 ATOM 8942 C CA . GLN G 3 54 ? -5.985 29.501 23.099 1.00 43.32 ? 52 GLN G CA 1 ATOM 8943 C C . GLN G 3 54 ? -7.108 28.513 22.774 1.00 43.30 ? 52 GLN G C 1 ATOM 8944 O O . GLN G 3 54 ? -6.983 27.696 21.861 1.00 42.25 ? 52 GLN G O 1 ATOM 8945 C CB . GLN G 3 54 ? -5.319 29.157 24.437 1.00 46.55 ? 52 GLN G CB 1 ATOM 8946 C CG . GLN G 3 54 ? -4.440 27.905 24.431 1.00 48.53 ? 52 GLN G CG 1 ATOM 8947 C CD . GLN G 3 54 ? -3.118 28.099 23.702 1.00 48.23 ? 52 GLN G CD 1 ATOM 8948 O OE1 . GLN G 3 54 ? -2.477 29.150 23.801 1.00 47.62 ? 52 GLN G OE1 1 ATOM 8949 N NE2 . GLN G 3 54 ? -2.701 27.073 22.968 1.00 48.76 ? 52 GLN G NE2 1 ATOM 8950 N N . LYS G 3 55 ? -8.201 28.597 23.527 1.00 44.77 ? 53 LYS G N 1 ATOM 8951 C CA . LYS G 3 55 ? -9.423 27.867 23.202 1.00 44.84 ? 53 LYS G CA 1 ATOM 8952 C C . LYS G 3 55 ? -10.561 28.873 23.066 1.00 43.99 ? 53 LYS G C 1 ATOM 8953 O O . LYS G 3 55 ? -11.169 29.283 24.055 1.00 46.24 ? 53 LYS G O 1 ATOM 8954 C CB . LYS G 3 55 ? -9.723 26.779 24.240 1.00 48.24 ? 53 LYS G CB 1 ATOM 8955 C CG . LYS G 3 55 ? -8.556 25.827 24.458 1.00 49.68 ? 53 LYS G CG 1 ATOM 8956 C CD . LYS G 3 55 ? -8.989 24.388 24.622 1.00 52.17 ? 53 LYS G CD 1 ATOM 8957 C CE . LYS G 3 55 ? -7.771 23.473 24.603 1.00 53.83 ? 53 LYS G CE 1 ATOM 8958 N NZ . LYS G 3 55 ? -8.114 22.039 24.816 1.00 56.99 ? 53 LYS G NZ 1 ATOM 8959 N N . ASP G 3 56 ? -10.826 29.274 21.825 1.00 41.14 ? 54 ASP G N 1 ATOM 8960 C CA . ASP G 3 56 ? -11.698 30.409 21.534 1.00 40.13 ? 54 ASP G CA 1 ATOM 8961 C C . ASP G 3 56 ? -13.000 30.007 20.844 1.00 39.40 ? 54 ASP G C 1 ATOM 8962 O O . ASP G 3 56 ? -13.037 29.054 20.069 1.00 38.37 ? 54 ASP G O 1 ATOM 8963 C CB . ASP G 3 56 ? -10.947 31.431 20.668 1.00 37.83 ? 54 ASP G CB 1 ATOM 8964 C CG . ASP G 3 56 ? -11.475 32.851 20.830 1.00 38.03 ? 54 ASP G CG 1 ATOM 8965 O OD1 . ASP G 3 56 ? -12.595 33.035 21.352 1.00 39.98 ? 54 ASP G OD1 1 ATOM 8966 O OD2 . ASP G 3 56 ? -10.762 33.794 20.430 1.00 36.74 ? 54 ASP G OD2 1 ATOM 8967 N N . LYS G 3 57 ? -14.063 30.746 21.149 1.00 40.27 ? 55 LYS G N 1 ATOM 8968 C CA . LYS G 3 57 ? -15.345 30.626 20.458 1.00 39.85 ? 55 LYS G CA 1 ATOM 8969 C C . LYS G 3 57 ? -15.836 32.023 20.090 1.00 39.32 ? 55 LYS G C 1 ATOM 8970 O O . LYS G 3 57 ? -15.745 32.949 20.904 1.00 40.88 ? 55 LYS G O 1 ATOM 8971 C CB . LYS G 3 57 ? -16.390 29.936 21.340 1.00 42.62 ? 55 LYS G CB 1 ATOM 8972 C CG . LYS G 3 57 ? -16.099 28.485 21.695 1.00 44.04 ? 55 LYS G CG 1 ATOM 8973 C CD . LYS G 3 57 ? -17.327 27.821 22.314 1.00 47.33 ? 55 LYS G CD 1 ATOM 8974 C CE . LYS G 3 57 ? -16.986 26.516 23.022 1.00 50.03 ? 55 LYS G CE 1 ATOM 8975 N NZ . LYS G 3 57 ? -16.590 25.432 22.080 1.00 48.99 ? 55 LYS G NZ 1 ATOM 8976 N N . THR G 3 58 ? -16.331 32.177 18.863 1.00 37.40 ? 56 THR G N 1 ATOM 8977 C CA . THR G 3 58 ? -16.974 33.423 18.428 1.00 37.42 ? 56 THR G CA 1 ATOM 8978 C C . THR G 3 58 ? -18.260 33.144 17.651 1.00 37.28 ? 56 THR G C 1 ATOM 8979 O O . THR G 3 58 ? -18.486 32.028 17.175 1.00 36.45 ? 56 THR G O 1 ATOM 8980 C CB . THR G 3 58 ? -16.054 34.309 17.541 1.00 35.43 ? 56 THR G CB 1 ATOM 8981 O OG1 . THR G 3 58 ? -15.624 33.570 16.391 1.00 33.61 ? 56 THR G OG1 1 ATOM 8982 C CG2 . THR G 3 58 ? -14.842 34.821 18.312 1.00 35.90 ? 56 THR G CG2 1 ATOM 8983 N N . SER G 3 59 ? -19.095 34.171 17.530 1.00 38.30 ? 57 SER G N 1 ATOM 8984 C CA . SER G 3 59 ? -20.301 34.100 16.723 1.00 38.34 ? 57 SER G CA 1 ATOM 8985 C C . SER G 3 59 ? -20.549 35.422 16.000 1.00 38.47 ? 57 SER G C 1 ATOM 8986 O O . SER G 3 59 ? -20.091 36.480 16.437 1.00 39.39 ? 57 SER G O 1 ATOM 8987 C CB . SER G 3 59 ? -21.510 33.717 17.581 1.00 40.98 ? 57 SER G CB 1 ATOM 8988 O OG . SER G 3 59 ? -21.752 34.681 18.590 1.00 43.49 ? 57 SER G OG 1 ATOM 8989 N N . ASN G 3 60 ? -21.268 35.339 14.885 1.00 37.82 ? 58 ASN G N 1 ATOM 8990 C CA . ASN G 3 60 ? -21.679 36.494 14.104 1.00 38.34 ? 58 ASN G CA 1 ATOM 8991 C C . ASN G 3 60 ? -22.909 36.104 13.292 1.00 38.70 ? 58 ASN G C 1 ATOM 8992 O O . ASN G 3 60 ? -22.793 35.507 12.222 1.00 37.00 ? 58 ASN G O 1 ATOM 8993 C CB . ASN G 3 60 ? -20.535 36.959 13.193 1.00 36.31 ? 58 ASN G CB 1 ATOM 8994 C CG . ASN G 3 60 ? -20.945 38.078 12.238 1.00 37.18 ? 58 ASN G CG 1 ATOM 8995 O OD1 . ASN G 3 60 ? -21.926 38.798 12.466 1.00 39.26 ? 58 ASN G OD1 1 ATOM 8996 N ND2 . ASN G 3 60 ? -20.185 38.227 11.157 1.00 35.05 ? 58 ASN G ND2 1 ATOM 8997 N N . GLY G 3 61 ? -24.085 36.422 13.819 1.00 41.33 ? 59 GLY G N 1 ATOM 8998 C CA . GLY G 3 61 ? -25.340 36.058 13.172 1.00 42.18 ? 59 GLY G CA 1 ATOM 8999 C C . GLY G 3 61 ? -25.494 34.553 13.061 1.00 41.04 ? 59 GLY G C 1 ATOM 9000 O O . GLY G 3 61 ? -25.514 33.847 14.069 1.00 42.01 ? 59 GLY G O 1 ATOM 9001 N N . ARG G 3 62 ? -25.589 34.063 11.830 1.00 39.34 ? 60 ARG G N 1 ATOM 9002 C CA . ARG G 3 62 ? -25.755 32.634 11.582 1.00 38.34 ? 60 ARG G CA 1 ATOM 9003 C C . ARG G 3 62 ? -24.409 31.899 11.521 1.00 36.00 ? 60 ARG G C 1 ATOM 9004 O O . ARG G 3 62 ? -24.367 30.669 11.427 1.00 35.35 ? 60 ARG G O 1 ATOM 9005 C CB . ARG G 3 62 ? -26.562 32.411 10.302 1.00 38.11 ? 60 ARG G CB 1 ATOM 9006 C CG . ARG G 3 62 ? -28.063 32.675 10.450 1.00 41.05 ? 60 ARG G CG 1 ATOM 9007 C CD . ARG G 3 62 ? -28.745 32.973 9.109 1.00 41.78 ? 60 ARG G CD 1 ATOM 9008 N NE . ARG G 3 62 ? -28.148 32.219 8.007 1.00 40.22 ? 60 ARG G NE 1 ATOM 9009 C CZ . ARG G 3 62 ? -27.387 32.746 7.051 1.00 39.17 ? 60 ARG G CZ 1 ATOM 9010 N NH1 . ARG G 3 62 ? -27.129 34.049 7.026 1.00 40.13 ? 60 ARG G NH1 1 ATOM 9011 N NH2 . ARG G 3 62 ? -26.888 31.963 6.109 1.00 37.56 ? 60 ARG G NH2 1 ATOM 9012 N N . TYR G 3 63 ? -23.319 32.661 11.577 1.00 34.96 ? 62 TYR G N 1 ATOM 9013 C CA . TYR G 3 63 ? -21.972 32.098 11.607 1.00 33.27 ? 62 TYR G CA 1 ATOM 9014 C C . TYR G 3 63 ? -21.450 31.991 13.043 1.00 34.04 ? 62 TYR G C 1 ATOM 9015 O O . TYR G 3 63 ? -21.508 32.953 13.808 1.00 35.30 ? 62 TYR G O 1 ATOM 9016 C CB . TYR G 3 63 ? -20.994 32.950 10.784 1.00 31.96 ? 62 TYR G CB 1 ATOM 9017 C CG . TYR G 3 63 ? -21.401 33.234 9.352 1.00 31.91 ? 62 TYR G CG 1 ATOM 9018 C CD1 . TYR G 3 63 ? -21.458 34.546 8.873 1.00 32.50 ? 62 TYR G CD1 1 ATOM 9019 C CD2 . TYR G 3 63 ? -21.713 32.197 8.470 1.00 31.81 ? 62 TYR G CD2 1 ATOM 9020 C CE1 . TYR G 3 63 ? -21.821 34.820 7.558 1.00 32.92 ? 62 TYR G CE1 1 ATOM 9021 C CE2 . TYR G 3 63 ? -22.079 32.457 7.151 1.00 32.12 ? 62 TYR G CE2 1 ATOM 9022 C CZ . TYR G 3 63 ? -22.130 33.771 6.698 1.00 33.06 ? 62 TYR G CZ 1 ATOM 9023 O OH . TYR G 3 63 ? -22.495 34.030 5.390 1.00 33.50 ? 62 TYR G OH 1 ATOM 9024 N N . SER G 3 64 ? -20.944 30.817 13.401 1.00 33.51 ? 63 SER G N 1 ATOM 9025 C CA . SER G 3 64 ? -20.241 30.640 14.663 1.00 34.34 ? 63 SER G CA 1 ATOM 9026 C C . SER G 3 64 ? -18.971 29.850 14.404 1.00 32.93 ? 63 SER G C 1 ATOM 9027 O O . SER G 3 64 ? -18.936 29.006 13.505 1.00 32.12 ? 63 SER G O 1 ATOM 9028 C CB . SER G 3 64 ? -21.119 29.937 15.697 1.00 36.63 ? 63 SER G CB 1 ATOM 9029 O OG . SER G 3 64 ? -21.419 28.614 15.302 1.00 36.56 ? 63 SER G OG 1 ATOM 9030 N N . ALA G 3 65 ? -17.929 30.135 15.180 1.00 32.92 ? 64 ALA G N 1 ATOM 9031 C CA . ALA G 3 65 ? -16.633 29.490 14.989 1.00 31.76 ? 64 ALA G CA 1 ATOM 9032 C C . ALA G 3 65 ? -15.960 29.109 16.306 1.00 33.24 ? 64 ALA G C 1 ATOM 9033 O O . ALA G 3 65 ? -16.262 29.668 17.365 1.00 34.87 ? 64 ALA G O 1 ATOM 9034 C CB . ALA G 3 65 ? -15.718 30.376 14.157 1.00 30.02 ? 64 ALA G CB 1 ATOM 9035 N N . THR G 3 66 ? -15.055 28.139 16.228 1.00 32.96 ? 65 THR G N 1 ATOM 9036 C CA . THR G 3 66 ? -14.262 27.721 17.373 1.00 34.49 ? 65 THR G CA 1 ATOM 9037 C C . THR G 3 66 ? -12.790 27.675 16.985 1.00 33.52 ? 65 THR G C 1 ATOM 9038 O O . THR G 3 66 ? -12.460 27.481 15.815 1.00 32.06 ? 65 THR G O 1 ATOM 9039 C CB . THR G 3 66 ? -14.693 26.332 17.886 1.00 36.54 ? 65 THR G CB 1 ATOM 9040 O OG1 . THR G 3 66 ? -14.662 25.386 16.809 1.00 35.49 ? 65 THR G OG1 1 ATOM 9041 C CG2 . THR G 3 66 ? -16.095 26.383 18.480 1.00 38.05 ? 65 THR G CG2 1 ATOM 9042 N N . LEU G 3 67 ? -11.910 27.867 17.963 1.00 34.61 ? 66 LEU G N 1 ATOM 9043 C CA . LEU G 3 67 ? -10.474 27.696 17.753 1.00 34.30 ? 66 LEU G CA 1 ATOM 9044 C C . LEU G 3 67 ? -9.839 26.936 18.905 1.00 36.77 ? 66 LEU G C 1 ATOM 9045 O O . LEU G 3 67 ? -10.006 27.296 20.071 1.00 38.46 ? 66 LEU G O 1 ATOM 9046 C CB . LEU G 3 67 ? -9.768 29.045 17.555 1.00 33.01 ? 66 LEU G CB 1 ATOM 9047 C CG . LEU G 3 67 ? -8.231 29.062 17.466 1.00 32.78 ? 66 LEU G CG 1 ATOM 9048 C CD1 . LEU G 3 67 ? -7.716 28.286 16.256 1.00 31.94 ? 66 LEU G CD1 1 ATOM 9049 C CD2 . LEU G 3 67 ? -7.687 30.485 17.454 1.00 31.36 ? 66 LEU G CD2 1 ATOM 9050 N N . ASP G 3 68 ? -9.117 25.875 18.563 1.00 37.45 ? 67 ASP G N 1 ATOM 9051 C CA . ASP G 3 68 ? -8.307 25.145 19.524 1.00 40.02 ? 67 ASP G CA 1 ATOM 9052 C C . ASP G 3 68 ? -6.858 25.219 19.061 1.00 39.55 ? 67 ASP G C 1 ATOM 9053 O O . ASP G 3 68 ? -6.473 24.553 18.095 1.00 39.27 ? 67 ASP G O 1 ATOM 9054 C CB . ASP G 3 68 ? -8.774 23.689 19.622 1.00 42.19 ? 67 ASP G CB 1 ATOM 9055 C CG . ASP G 3 68 ? -8.037 22.897 20.696 1.00 45.63 ? 67 ASP G CG 1 ATOM 9056 O OD1 . ASP G 3 68 ? -6.883 23.237 21.028 1.00 46.25 ? 67 ASP G OD1 1 ATOM 9057 O OD2 . ASP G 3 68 ? -8.621 21.920 21.207 1.00 48.52 ? 67 ASP G OD2 1 ATOM 9058 N N . LYS G 3 69 ? -6.061 26.034 19.747 1.00 39.76 ? 68 LYS G N 1 ATOM 9059 C CA . LYS G 3 69 ? -4.650 26.214 19.391 1.00 39.44 ? 68 LYS G CA 1 ATOM 9060 C C . LYS G 3 69 ? -3.772 25.016 19.756 1.00 41.91 ? 68 LYS G C 1 ATOM 9061 O O . LYS G 3 69 ? -2.744 24.793 19.128 1.00 41.86 ? 68 LYS G O 1 ATOM 9062 C CB . LYS G 3 69 ? -4.088 27.497 20.003 1.00 39.10 ? 68 LYS G CB 1 ATOM 9063 C CG . LYS G 3 69 ? -4.591 28.767 19.346 1.00 36.22 ? 68 LYS G CG 1 ATOM 9064 C CD . LYS G 3 69 ? -3.822 29.962 19.862 1.00 35.70 ? 68 LYS G CD 1 ATOM 9065 C CE . LYS G 3 69 ? -4.356 31.252 19.286 1.00 33.47 ? 68 LYS G CE 1 ATOM 9066 N NZ . LYS G 3 69 ? -3.513 32.393 19.712 1.00 33.48 ? 68 LYS G NZ 1 ATOM 9067 N N . ASP G 3 70 ? -4.180 24.252 20.764 1.00 44.51 ? 69 ASP G N 1 ATOM 9068 C CA . ASP G 3 70 ? -3.487 23.011 21.110 1.00 47.79 ? 69 ASP G CA 1 ATOM 9069 C C . ASP G 3 70 ? -3.530 21.996 19.967 1.00 47.76 ? 69 ASP G C 1 ATOM 9070 O O . ASP G 3 70 ? -2.509 21.409 19.612 1.00 49.13 ? 69 ASP G O 1 ATOM 9071 C CB . ASP G 3 70 ? -4.057 22.402 22.393 1.00 50.85 ? 69 ASP G CB 1 ATOM 9072 C CG . ASP G 3 70 ? -3.372 22.923 23.643 1.00 53.17 ? 69 ASP G CG 1 ATOM 9073 O OD1 . ASP G 3 70 ? -2.896 24.081 23.641 1.00 51.12 ? 69 ASP G OD1 1 ATOM 9074 O OD2 . ASP G 3 70 ? -3.311 22.164 24.635 1.00 57.75 ? 69 ASP G OD2 1 ATOM 9075 N N . ALA G 3 71 ? -4.713 21.810 19.388 1.00 46.55 ? 70 ALA G N 1 ATOM 9076 C CA . ALA G 3 71 ? -4.888 20.904 18.256 1.00 46.58 ? 70 ALA G CA 1 ATOM 9077 C C . ALA G 3 71 ? -4.623 21.601 16.921 1.00 43.76 ? 70 ALA G C 1 ATOM 9078 O O . ALA G 3 71 ? -4.576 20.950 15.874 1.00 43.87 ? 70 ALA G O 1 ATOM 9079 C CB . ALA G 3 71 ? -6.284 20.295 18.278 1.00 46.96 ? 70 ALA G CB 1 ATOM 9080 N N . LYS G 3 72 ? -4.443 22.922 16.973 1.00 41.68 ? 71 LYS G N 1 ATOM 9081 C CA . LYS G 3 72 ? -4.251 23.764 15.784 1.00 39.23 ? 71 LYS G CA 1 ATOM 9082 C C . LYS G 3 72 ? -5.359 23.527 14.758 1.00 37.90 ? 71 LYS G C 1 ATOM 9083 O O . LYS G 3 72 ? -5.111 23.311 13.569 1.00 37.49 ? 71 LYS G O 1 ATOM 9084 C CB . LYS G 3 72 ? -2.851 23.578 15.186 1.00 40.12 ? 71 LYS G CB 1 ATOM 9085 C CG . LYS G 3 72 ? -1.733 24.114 16.079 1.00 41.42 ? 71 LYS G CG 1 ATOM 9086 C CD . LYS G 3 72 ? -0.387 24.102 15.386 1.00 42.41 ? 71 LYS G CD 1 ATOM 9087 C CE . LYS G 3 72 ? 0.593 25.014 16.096 1.00 43.07 ? 71 LYS G CE 1 ATOM 9088 N NZ . LYS G 3 72 ? 1.881 25.117 15.349 1.00 44.58 ? 71 LYS G NZ 1 ATOM 9089 N N . HIS G 3 73 ? -6.590 23.590 15.253 1.00 37.59 ? 72 HIS G N 1 ATOM 9090 C CA . HIS G 3 73 ? -7.771 23.204 14.504 1.00 36.86 ? 72 HIS G CA 1 ATOM 9091 C C . HIS G 3 73 ? -8.894 24.212 14.736 1.00 35.15 ? 72 HIS G C 1 ATOM 9092 O O . HIS G 3 73 ? -9.074 24.710 15.849 1.00 35.64 ? 72 HIS G O 1 ATOM 9093 C CB . HIS G 3 73 ? -8.190 21.802 14.945 1.00 39.41 ? 72 HIS G CB 1 ATOM 9094 C CG . HIS G 3 73 ? -9.535 21.379 14.448 1.00 39.84 ? 72 HIS G CG 1 ATOM 9095 N ND1 . HIS G 3 73 ? -9.768 21.027 13.137 1.00 40.02 ? 72 HIS G ND1 1 ATOM 9096 C CD2 . HIS G 3 73 ? -10.717 21.236 15.093 1.00 40.93 ? 72 HIS G CD2 1 ATOM 9097 C CE1 . HIS G 3 73 ? -11.038 20.694 12.992 1.00 40.21 ? 72 HIS G CE1 1 ATOM 9098 N NE2 . HIS G 3 73 ? -11.635 20.811 14.164 1.00 41.05 ? 72 HIS G NE2 1 ATOM 9099 N N . SER G 3 74 ? -9.637 24.516 13.676 1.00 33.50 ? 73 SER G N 1 ATOM 9100 C CA . SER G 3 74 ? -10.757 25.446 13.757 1.00 32.25 ? 73 SER G CA 1 ATOM 9101 C C . SER G 3 74 ? -11.938 24.980 12.918 1.00 31.81 ? 73 SER G C 1 ATOM 9102 O O . SER G 3 74 ? -11.757 24.423 11.836 1.00 31.49 ? 73 SER G O 1 ATOM 9103 C CB . SER G 3 74 ? -10.325 26.845 13.314 1.00 30.71 ? 73 SER G CB 1 ATOM 9104 O OG . SER G 3 74 ? -11.369 27.786 13.496 1.00 29.83 ? 73 SER G OG 1 ATOM 9105 N N . THR G 3 75 ? -13.146 25.216 13.427 1.00 32.05 ? 74 THR G N 1 ATOM 9106 C CA . THR G 3 75 ? -14.373 24.863 12.717 1.00 31.85 ? 74 THR G CA 1 ATOM 9107 C C . THR G 3 75 ? -15.236 26.095 12.489 1.00 30.62 ? 74 THR G C 1 ATOM 9108 O O . THR G 3 75 ? -15.436 26.888 13.404 1.00 30.99 ? 74 THR G O 1 ATOM 9109 C CB . THR G 3 75 ? -15.224 23.834 13.495 1.00 33.84 ? 74 THR G CB 1 ATOM 9110 O OG1 . THR G 3 75 ? -15.884 24.487 14.585 1.00 35.35 ? 74 THR G OG1 1 ATOM 9111 C CG2 . THR G 3 75 ? -14.374 22.700 14.040 1.00 35.52 ? 74 THR G CG2 1 ATOM 9112 N N . LEU G 3 76 ? -15.744 26.248 11.269 1.00 29.69 ? 75 LEU G N 1 ATOM 9113 C CA . LEU G 3 76 ? -16.741 27.275 10.968 1.00 29.21 ? 75 LEU G CA 1 ATOM 9114 C C . LEU G 3 76 ? -18.107 26.633 10.779 1.00 30.10 ? 75 LEU G C 1 ATOM 9115 O O . LEU G 3 76 ? -18.311 25.846 9.856 1.00 29.85 ? 75 LEU G O 1 ATOM 9116 C CB . LEU G 3 76 ? -16.358 28.081 9.720 1.00 27.92 ? 75 LEU G CB 1 ATOM 9117 C CG . LEU G 3 76 ? -17.313 29.190 9.256 1.00 27.17 ? 75 LEU G CG 1 ATOM 9118 C CD1 . LEU G 3 76 ? -17.279 30.377 10.200 1.00 27.45 ? 75 LEU G CD1 1 ATOM 9119 C CD2 . LEU G 3 76 ? -16.976 29.637 7.847 1.00 25.73 ? 75 LEU G CD2 1 ATOM 9120 N N . HIS G 3 77 ? -19.033 26.968 11.672 1.00 31.48 ? 76 HIS G N 1 ATOM 9121 C CA . HIS G 3 77 ? -20.400 26.463 11.601 1.00 32.84 ? 76 HIS G CA 1 ATOM 9122 C C . HIS G 3 77 ? -21.295 27.508 10.946 1.00 32.33 ? 76 HIS G C 1 ATOM 9123 O O . HIS G 3 77 ? -21.251 28.687 11.304 1.00 32.42 ? 76 HIS G O 1 ATOM 9124 C CB . HIS G 3 77 ? -20.933 26.125 12.998 1.00 35.15 ? 76 HIS G CB 1 ATOM 9125 C CG . HIS G 3 77 ? -20.106 25.125 13.748 1.00 37.40 ? 76 HIS G CG 1 ATOM 9126 N ND1 . HIS G 3 77 ? -20.529 23.832 13.979 1.00 39.85 ? 76 HIS G ND1 1 ATOM 9127 C CD2 . HIS G 3 77 ? -18.890 25.232 14.339 1.00 38.47 ? 76 HIS G CD2 1 ATOM 9128 C CE1 . HIS G 3 77 ? -19.607 23.184 14.671 1.00 41.28 ? 76 HIS G CE1 1 ATOM 9129 N NE2 . HIS G 3 77 ? -18.600 24.010 14.899 1.00 40.44 ? 76 HIS G NE2 1 ATOM 9130 N N . ILE G 3 78 ? -22.089 27.071 9.975 1.00 32.21 ? 77 ILE G N 1 ATOM 9131 C CA . ILE G 3 78 ? -23.092 27.927 9.344 1.00 32.33 ? 77 ILE G CA 1 ATOM 9132 C C . ILE G 3 78 ? -24.464 27.324 9.599 1.00 33.86 ? 77 ILE G C 1 ATOM 9133 O O . ILE G 3 78 ? -24.758 26.226 9.124 1.00 34.17 ? 77 ILE G O 1 ATOM 9134 C CB . ILE G 3 78 ? -22.866 28.066 7.822 1.00 31.11 ? 77 ILE G CB 1 ATOM 9135 C CG1 . ILE G 3 78 ? -21.465 28.619 7.534 1.00 30.16 ? 77 ILE G CG1 1 ATOM 9136 C CG2 . ILE G 3 78 ? -23.938 28.952 7.208 1.00 31.66 ? 77 ILE G CG2 1 ATOM 9137 C CD1 . ILE G 3 78 ? -21.088 28.652 6.054 1.00 30.21 ? 77 ILE G CD1 1 ATOM 9138 N N . THR G 3 79 ? -25.289 28.035 10.362 1.00 35.29 ? 78 THR G N 1 ATOM 9139 C CA . THR G 3 79 ? -26.632 27.562 10.708 1.00 37.21 ? 78 THR G CA 1 ATOM 9140 C C . THR G 3 79 ? -27.658 28.055 9.691 1.00 37.44 ? 78 THR G C 1 ATOM 9141 O O . THR G 3 79 ? -27.598 29.204 9.248 1.00 37.11 ? 78 THR G O 1 ATOM 9142 C CB . THR G 3 79 ? -27.062 28.030 12.116 1.00 39.35 ? 78 THR G CB 1 ATOM 9143 O OG1 . THR G 3 79 ? -25.943 27.989 13.007 1.00 39.41 ? 78 THR G OG1 1 ATOM 9144 C CG2 . THR G 3 79 ? -28.159 27.140 12.665 1.00 41.74 ? 78 THR G CG2 1 ATOM 9145 N N . ALA G 3 80 ? -28.594 27.175 9.333 1.00 38.24 ? 79 ALA G N 1 ATOM 9146 C CA . ALA G 3 80 ? -29.713 27.504 8.449 1.00 38.95 ? 79 ALA G CA 1 ATOM 9147 C C . ALA G 3 80 ? -29.247 28.220 7.184 1.00 37.40 ? 79 ALA G C 1 ATOM 9148 O O . ALA G 3 80 ? -29.476 29.420 7.011 1.00 37.98 ? 79 ALA G O 1 ATOM 9149 C CB . ALA G 3 80 ? -30.764 28.328 9.195 1.00 41.33 ? 79 ALA G CB 1 ATOM 9150 N N . THR G 3 81 ? -28.584 27.468 6.312 1.00 35.93 ? 80 THR G N 1 ATOM 9151 C CA . THR G 3 81 ? -27.982 28.012 5.096 1.00 34.74 ? 80 THR G CA 1 ATOM 9152 C C . THR G 3 81 ? -28.997 28.640 4.146 1.00 35.90 ? 80 THR G C 1 ATOM 9153 O O . THR G 3 81 ? -30.077 28.093 3.912 1.00 37.20 ? 80 THR G O 1 ATOM 9154 C CB . THR G 3 81 ? -27.188 26.940 4.331 1.00 33.62 ? 80 THR G CB 1 ATOM 9155 O OG1 . THR G 3 81 ? -27.952 25.727 4.284 1.00 34.88 ? 80 THR G OG1 1 ATOM 9156 C CG2 . THR G 3 81 ? -25.851 26.670 5.012 1.00 32.24 ? 80 THR G CG2 1 ATOM 9157 N N . LEU G 3 82 ? -28.634 29.803 3.616 1.00 35.82 ? 81 LEU G N 1 ATOM 9158 C CA . LEU G 3 82 ? -29.413 30.486 2.594 1.00 37.04 ? 81 LEU G CA 1 ATOM 9159 C C . LEU G 3 82 ? -28.642 30.441 1.278 1.00 36.28 ? 81 LEU G C 1 ATOM 9160 O O . LEU G 3 82 ? -27.451 30.133 1.268 1.00 34.79 ? 81 LEU G O 1 ATOM 9161 C CB . LEU G 3 82 ? -29.668 31.942 3.001 1.00 38.33 ? 81 LEU G CB 1 ATOM 9162 C CG . LEU G 3 82 ? -30.464 32.278 4.267 1.00 39.63 ? 81 LEU G CG 1 ATOM 9163 C CD1 . LEU G 3 82 ? -30.383 33.767 4.535 1.00 40.66 ? 81 LEU G CD1 1 ATOM 9164 C CD2 . LEU G 3 82 ? -31.919 31.841 4.163 1.00 41.85 ? 81 LEU G CD2 1 ATOM 9165 N N . LEU G 3 83 ? -29.322 30.754 0.175 1.00 37.76 ? 82 LEU G N 1 ATOM 9166 C CA . LEU G 3 83 ? -28.707 30.784 -1.158 1.00 37.80 ? 82 LEU G CA 1 ATOM 9167 C C . LEU G 3 83 ? -27.445 31.659 -1.252 1.00 37.16 ? 82 LEU G C 1 ATOM 9168 O O . LEU G 3 83 ? -26.469 31.273 -1.893 1.00 36.38 ? 82 LEU G O 1 ATOM 9169 C CB . LEU G 3 83 ? -29.738 31.217 -2.208 1.00 39.93 ? 82 LEU G CB 1 ATOM 9170 C CG . LEU G 3 83 ? -29.318 31.315 -3.681 1.00 40.82 ? 82 LEU G CG 1 ATOM 9171 C CD1 . LEU G 3 83 ? -28.891 29.956 -4.248 1.00 40.04 ? 82 LEU G CD1 1 ATOM 9172 C CD2 . LEU G 3 83 ? -30.445 31.919 -4.512 1.00 43.41 ? 82 LEU G CD2 1 ATOM 9173 N N . ASP G 3 84 ? -27.470 32.820 -0.602 1.00 37.84 ? 83 ASP G N 1 ATOM 9174 C CA . ASP G 3 84 ? -26.352 33.768 -0.622 1.00 37.70 ? 83 ASP G CA 1 ATOM 9175 C C . ASP G 3 84 ? -25.105 33.265 0.115 1.00 35.48 ? 83 ASP G C 1 ATOM 9176 O O . ASP G 3 84 ? -24.061 33.921 0.099 1.00 35.16 ? 83 ASP G O 1 ATOM 9177 C CB . ASP G 3 84 ? -26.789 35.118 -0.043 1.00 39.50 ? 83 ASP G CB 1 ATOM 9178 C CG . ASP G 3 84 ? -28.065 35.646 -0.683 1.00 43.33 ? 83 ASP G CG 1 ATOM 9179 O OD1 . ASP G 3 84 ? -29.103 34.938 -0.650 1.00 45.03 ? 83 ASP G OD1 1 ATOM 9180 O OD2 . ASP G 3 84 ? -28.032 36.779 -1.213 1.00 46.27 ? 83 ASP G OD2 1 ATOM 9181 N N . ASP G 3 85 ? -25.211 32.105 0.757 1.00 34.21 ? 84 ASP G N 1 ATOM 9182 C CA . ASP G 3 85 ? -24.051 31.479 1.387 1.00 32.45 ? 84 ASP G CA 1 ATOM 9183 C C . ASP G 3 85 ? -23.167 30.776 0.361 1.00 31.75 ? 84 ASP G C 1 ATOM 9184 O O . ASP G 3 85 ? -22.028 30.412 0.665 1.00 30.77 ? 84 ASP G O 1 ATOM 9185 C CB . ASP G 3 85 ? -24.481 30.496 2.475 1.00 32.17 ? 84 ASP G CB 1 ATOM 9186 C CG . ASP G 3 85 ? -25.162 31.179 3.646 1.00 33.36 ? 84 ASP G CG 1 ATOM 9187 O OD1 . ASP G 3 85 ? -24.771 32.312 4.013 1.00 33.90 ? 84 ASP G OD1 1 ATOM 9188 O OD2 . ASP G 3 85 ? -26.092 30.568 4.209 1.00 34.27 ? 84 ASP G OD2 1 ATOM 9189 N N . THR G 3 86 ? -23.698 30.588 -0.846 1.00 32.53 ? 85 THR G N 1 ATOM 9190 C CA . THR G 3 86 ? -22.938 30.043 -1.964 1.00 32.68 ? 85 THR G CA 1 ATOM 9191 C C . THR G 3 86 ? -21.720 30.922 -2.220 1.00 32.70 ? 85 THR G C 1 ATOM 9192 O O . THR G 3 86 ? -21.835 32.043 -2.725 1.00 33.90 ? 85 THR G O 1 ATOM 9193 C CB . THR G 3 86 ? -23.799 29.922 -3.240 1.00 34.34 ? 85 THR G CB 1 ATOM 9194 O OG1 . THR G 3 86 ? -24.982 29.161 -2.951 1.00 34.96 ? 85 THR G OG1 1 ATOM 9195 C CG2 . THR G 3 86 ? -23.022 29.237 -4.356 1.00 34.82 ? 85 THR G CG2 1 ATOM 9196 N N . ALA G 3 87 ? -20.559 30.398 -1.838 1.00 31.69 ? 86 ALA G N 1 ATOM 9197 C CA . ALA G 3 87 ? -19.300 31.126 -1.872 1.00 31.57 ? 86 ALA G CA 1 ATOM 9198 C C . ALA G 3 87 ? -18.156 30.166 -1.575 1.00 30.89 ? 86 ALA G C 1 ATOM 9199 O O . ALA G 3 87 ? -18.382 29.001 -1.256 1.00 30.61 ? 86 ALA G O 1 ATOM 9200 C CB . ALA G 3 87 ? -19.318 32.248 -0.844 1.00 31.04 ? 86 ALA G CB 1 ATOM 9201 N N . THR G 3 88 ? -16.929 30.657 -1.700 1.00 31.02 ? 87 THR G N 1 ATOM 9202 C CA . THR G 3 88 ? -15.762 29.939 -1.222 1.00 30.44 ? 87 THR G CA 1 ATOM 9203 C C . THR G 3 88 ? -15.435 30.524 0.142 1.00 29.28 ? 87 THR G C 1 ATOM 9204 O O . THR G 3 88 ? -15.518 31.736 0.330 1.00 29.44 ? 87 THR G O 1 ATOM 9205 C CB . THR G 3 88 ? -14.568 30.101 -2.188 1.00 31.78 ? 87 THR G CB 1 ATOM 9206 O OG1 . THR G 3 88 ? -14.871 29.451 -3.427 1.00 33.08 ? 87 THR G OG1 1 ATOM 9207 C CG2 . THR G 3 88 ? -13.298 29.488 -1.608 1.00 31.34 ? 87 THR G CG2 1 ATOM 9208 N N . TYR G 3 89 ? -15.089 29.663 1.095 1.00 28.58 ? 88 TYR G N 1 ATOM 9209 C CA . TYR G 3 89 ? -14.750 30.103 2.445 1.00 27.76 ? 88 TYR G CA 1 ATOM 9210 C C . TYR G 3 89 ? -13.281 29.830 2.716 1.00 28.04 ? 88 TYR G C 1 ATOM 9211 O O . TYR G 3 89 ? -12.821 28.691 2.606 1.00 28.61 ? 88 TYR G O 1 ATOM 9212 C CB . TYR G 3 89 ? -15.656 29.434 3.486 1.00 27.06 ? 88 TYR G CB 1 ATOM 9213 C CG . TYR G 3 89 ? -17.109 29.851 3.355 1.00 27.32 ? 88 TYR G CG 1 ATOM 9214 C CD1 . TYR G 3 89 ? -17.955 29.226 2.442 1.00 27.47 ? 88 TYR G CD1 1 ATOM 9215 C CD2 . TYR G 3 89 ? -17.631 30.888 4.126 1.00 27.23 ? 88 TYR G CD2 1 ATOM 9216 C CE1 . TYR G 3 89 ? -19.277 29.618 2.306 1.00 28.12 ? 88 TYR G CE1 1 ATOM 9217 C CE2 . TYR G 3 89 ? -18.956 31.283 3.999 1.00 27.47 ? 88 TYR G CE2 1 ATOM 9218 C CZ . TYR G 3 89 ? -19.772 30.644 3.088 1.00 28.31 ? 88 TYR G CZ 1 ATOM 9219 O OH . TYR G 3 89 ? -21.087 31.032 2.955 1.00 29.82 ? 88 TYR G OH 1 ATOM 9220 N N . ILE G 3 90 ? -12.548 30.887 3.051 1.00 28.17 ? 89 ILE G N 1 ATOM 9221 C CA . ILE G 3 90 ? -11.096 30.805 3.200 1.00 28.62 ? 89 ILE G CA 1 ATOM 9222 C C . ILE G 3 90 ? -10.654 31.036 4.641 1.00 28.12 ? 89 ILE G C 1 ATOM 9223 O O . ILE G 3 90 ? -11.093 31.982 5.302 1.00 27.61 ? 89 ILE G O 1 ATOM 9224 C CB . ILE G 3 90 ? -10.365 31.796 2.259 1.00 29.54 ? 89 ILE G CB 1 ATOM 9225 C CG1 . ILE G 3 90 ? -10.773 31.555 0.802 1.00 30.19 ? 89 ILE G CG1 1 ATOM 9226 C CG2 . ILE G 3 90 ? -8.849 31.674 2.421 1.00 30.24 ? 89 ILE G CG2 1 ATOM 9227 C CD1 . ILE G 3 90 ? -10.631 32.770 -0.086 1.00 31.09 ? 89 ILE G CD1 1 ATOM 9228 N N . CYS G 3 91 ? -9.778 30.151 5.102 1.00 28.60 ? 90 CYS G N 1 ATOM 9229 C CA . CYS G 3 91 ? -9.201 30.203 6.433 1.00 28.75 ? 90 CYS G CA 1 ATOM 9230 C C . CYS G 3 91 ? -7.819 30.846 6.362 1.00 29.17 ? 90 CYS G C 1 ATOM 9231 O O . CYS G 3 91 ? -6.988 30.460 5.535 1.00 30.14 ? 90 CYS G O 1 ATOM 9232 C CB . CYS G 3 91 ? -9.086 28.781 6.979 1.00 29.49 ? 90 CYS G CB 1 ATOM 9233 S SG . CYS G 3 91 ? -8.310 28.635 8.590 1.00 31.15 ? 90 CYS G SG 1 ATOM 9234 N N . VAL G 3 92 ? -7.571 31.828 7.222 1.00 28.74 ? 91 VAL G N 1 ATOM 9235 C CA . VAL G 3 92 ? -6.264 32.479 7.252 1.00 29.19 ? 91 VAL G CA 1 ATOM 9236 C C . VAL G 3 92 ? -5.683 32.565 8.670 1.00 29.07 ? 91 VAL G C 1 ATOM 9237 O O . VAL G 3 92 ? -6.372 32.942 9.619 1.00 28.53 ? 91 VAL G O 1 ATOM 9238 C CB . VAL G 3 92 ? -6.269 33.849 6.503 1.00 29.47 ? 91 VAL G CB 1 ATOM 9239 C CG1 . VAL G 3 92 ? -7.299 34.797 7.081 1.00 29.51 ? 91 VAL G CG1 1 ATOM 9240 C CG2 . VAL G 3 92 ? -4.887 34.479 6.503 1.00 30.35 ? 91 VAL G CG2 1 ATOM 9241 N N . VAL G 3 93 ? -4.415 32.173 8.794 1.00 29.82 ? 92 VAL G N 1 ATOM 9242 C CA . VAL G 3 93 ? -3.700 32.182 10.068 1.00 30.04 ? 92 VAL G CA 1 ATOM 9243 C C . VAL G 3 93 ? -2.618 33.257 10.041 1.00 30.51 ? 92 VAL G C 1 ATOM 9244 O O . VAL G 3 93 ? -1.717 33.215 9.202 1.00 31.43 ? 92 VAL G O 1 ATOM 9245 C CB . VAL G 3 93 ? -3.058 30.808 10.362 1.00 31.09 ? 92 VAL G CB 1 ATOM 9246 C CG1 . VAL G 3 93 ? -2.330 30.825 11.704 1.00 31.88 ? 92 VAL G CG1 1 ATOM 9247 C CG2 . VAL G 3 93 ? -4.109 29.709 10.342 1.00 30.73 ? 92 VAL G CG2 1 ATOM 9248 N N . GLY G 3 94 ? -2.725 34.225 10.949 1.00 30.27 ? 93 GLY G N 1 ATOM 9249 C CA . GLY G 3 94 ? -1.714 35.278 11.101 1.00 30.78 ? 93 GLY G CA 1 ATOM 9250 C C . GLY G 3 94 ? -0.749 34.932 12.221 1.00 31.42 ? 93 GLY G C 1 ATOM 9251 O O . GLY G 3 94 ? -1.174 34.617 13.340 1.00 31.25 ? 93 GLY G O 1 ATOM 9252 N N . ASP G 3 95 ? 0.548 34.991 11.924 1.00 32.28 ? 94 ASP G N 1 ATOM 9253 C CA . ASP G 3 95 ? 1.569 34.526 12.873 1.00 33.35 ? 94 ASP G CA 1 ATOM 9254 C C . ASP G 3 95 ? 2.055 35.556 13.906 1.00 33.70 ? 94 ASP G C 1 ATOM 9255 O O . ASP G 3 95 ? 2.920 35.248 14.731 1.00 34.91 ? 94 ASP G O 1 ATOM 9256 C CB . ASP G 3 95 ? 2.752 33.852 12.145 1.00 34.73 ? 94 ASP G CB 1 ATOM 9257 C CG . ASP G 3 95 ? 3.493 34.788 11.197 1.00 35.70 ? 94 ASP G CG 1 ATOM 9258 O OD1 . ASP G 3 95 ? 3.415 36.026 11.355 1.00 36.21 ? 94 ASP G OD1 1 ATOM 9259 O OD2 . ASP G 3 95 ? 4.178 34.275 10.285 1.00 36.96 ? 94 ASP G OD2 1 ATOM 9260 N N . ARG G 3 96 ? 1.506 36.770 13.852 1.00 32.96 ? 95 ARG G N 1 ATOM 9261 C CA . ARG G 3 96 ? 1.822 37.818 14.829 1.00 33.43 ? 95 ARG G CA 1 ATOM 9262 C C . ARG G 3 96 ? 0.588 38.594 15.282 1.00 32.90 ? 95 ARG G C 1 ATOM 9263 O O . ARG G 3 96 ? -0.460 38.548 14.641 1.00 31.97 ? 95 ARG G O 1 ATOM 9264 C CB . ARG G 3 96 ? 2.843 38.815 14.271 1.00 34.24 ? 95 ARG G CB 1 ATOM 9265 C CG . ARG G 3 96 ? 4.220 38.264 13.973 1.00 34.99 ? 95 ARG G CG 1 ATOM 9266 C CD . ARG G 3 96 ? 5.040 37.961 15.221 1.00 35.36 ? 95 ARG G CD 1 ATOM 9267 N NE . ARG G 3 96 ? 6.411 37.613 14.856 1.00 36.18 ? 95 ARG G NE 1 ATOM 9268 C CZ . ARG G 3 96 ? 6.782 36.454 14.314 1.00 36.53 ? 95 ARG G CZ 1 ATOM 9269 N NH1 . ARG G 3 96 ? 8.056 36.252 14.011 1.00 38.42 ? 95 ARG G NH1 1 ATOM 9270 N NH2 . ARG G 3 96 ? 5.892 35.498 14.066 1.00 34.99 ? 95 ARG G NH2 1 ATOM 9271 N N . GLY G 3 97 ? 0.731 39.310 16.393 1.00 33.83 ? 96 GLY G N 1 ATOM 9272 C CA . GLY G 3 97 ? -0.302 40.220 16.869 1.00 34.07 ? 96 GLY G CA 1 ATOM 9273 C C . GLY G 3 97 ? -0.059 41.659 16.450 1.00 34.84 ? 96 GLY G C 1 ATOM 9274 O O . GLY G 3 97 ? -0.631 42.582 17.030 1.00 35.89 ? 96 GLY G O 1 ATOM 9275 N N . SER G 3 98 ? 0.791 41.848 15.441 1.00 34.79 ? 97 SER G N 1 ATOM 9276 C CA . SER G 3 98 ? 1.108 43.178 14.921 1.00 35.88 ? 97 SER G CA 1 ATOM 9277 C C . SER G 3 98 ? 1.318 43.160 13.402 1.00 35.79 ? 97 SER G C 1 ATOM 9278 O O . SER G 3 98 ? 1.098 42.137 12.748 1.00 34.74 ? 97 SER G O 1 ATOM 9279 C CB . SER G 3 98 ? 2.335 43.758 15.637 1.00 37.29 ? 97 SER G CB 1 ATOM 9280 O OG . SER G 3 98 ? 3.523 43.059 15.305 1.00 36.94 ? 97 SER G OG 1 ATOM 9281 N N . ALA G 3 99 ? 1.740 44.300 12.854 1.00 37.28 ? 98 ALA G N 1 ATOM 9282 C CA . ALA G 3 99 ? 2.006 44.451 11.419 1.00 37.81 ? 98 ALA G CA 1 ATOM 9283 C C . ALA G 3 99 ? 3.175 43.591 10.942 1.00 37.90 ? 98 ALA G C 1 ATOM 9284 O O . ALA G 3 99 ? 3.267 43.265 9.753 1.00 38.25 ? 98 ALA G O 1 ATOM 9285 C CB . ALA G 3 99 ? 2.262 45.910 11.084 1.00 39.82 ? 98 ALA G CB 1 ATOM 9286 N N . LEU G 3 100 ? 4.062 43.235 11.873 1.00 37.95 ? 99 LEU G N 1 ATOM 9287 C CA . LEU G 3 100 ? 5.230 42.402 11.586 1.00 38.28 ? 99 LEU G CA 1 ATOM 9288 C C . LEU G 3 100 ? 4.850 41.010 11.095 1.00 37.02 ? 99 LEU G C 1 ATOM 9289 O O . LEU G 3 100 ? 5.699 40.259 10.617 1.00 37.75 ? 99 LEU G O 1 ATOM 9290 C CB . LEU G 3 100 ? 6.120 42.283 12.824 1.00 38.79 ? 99 LEU G CB 1 ATOM 9291 C CG . LEU G 3 100 ? 6.755 43.556 13.390 1.00 40.56 ? 99 LEU G CG 1 ATOM 9292 C CD1 . LEU G 3 100 ? 7.830 43.205 14.410 1.00 41.07 ? 99 LEU G CD1 1 ATOM 9293 C CD2 . LEU G 3 100 ? 7.331 44.448 12.291 1.00 42.27 ? 99 LEU G CD2 1 ATOM 9294 N N . GLY G 3 101 ? 3.564 40.687 11.199 1.00 35.46 ? 100 GLY G N 1 ATOM 9295 C CA . GLY G 3 101 ? 3.061 39.367 10.861 1.00 34.33 ? 100 GLY G CA 1 ATOM 9296 C C . GLY G 3 101 ? 2.947 39.056 9.389 1.00 34.61 ? 100 GLY G C 1 ATOM 9297 O O . GLY G 3 101 ? 2.950 39.948 8.541 1.00 35.49 ? 100 GLY G O 1 ATOM 9298 N N . ARG G 3 102 ? 2.861 37.762 9.102 1.00 34.30 ? 103 ARG G N 1 ATOM 9299 C CA . ARG G 3 102 ? 2.577 37.262 7.767 1.00 34.61 ? 103 ARG G CA 1 ATOM 9300 C C . ARG G 3 102 ? 1.322 36.403 7.842 1.00 32.96 ? 103 ARG G C 1 ATOM 9301 O O . ARG G 3 102 ? 1.146 35.620 8.779 1.00 32.24 ? 103 ARG G O 1 ATOM 9302 C CB . ARG G 3 102 ? 3.758 36.446 7.230 1.00 36.27 ? 103 ARG G CB 1 ATOM 9303 C CG . ARG G 3 102 ? 5.068 37.223 7.144 1.00 38.54 ? 103 ARG G CG 1 ATOM 9304 C CD . ARG G 3 102 ? 5.109 38.159 5.939 1.00 39.95 ? 103 ARG G CD 1 ATOM 9305 N NE . ARG G 3 102 ? 5.793 37.537 4.810 1.00 42.06 ? 103 ARG G NE 1 ATOM 9306 C CZ . ARG G 3 102 ? 7.058 37.777 4.473 1.00 44.60 ? 103 ARG G CZ 1 ATOM 9307 N NH1 . ARG G 3 102 ? 7.789 38.642 5.169 1.00 44.76 ? 103 ARG G NH1 1 ATOM 9308 N NH2 . ARG G 3 102 ? 7.591 37.153 3.430 1.00 46.89 ? 103 ARG G NH2 1 ATOM 9309 N N . LEU G 3 103 ? 0.440 36.573 6.863 1.00 32.74 ? 104 LEU G N 1 ATOM 9310 C CA . LEU G 3 103 ? -0.800 35.806 6.802 1.00 31.29 ? 104 LEU G CA 1 ATOM 9311 C C . LEU G 3 103 ? -0.606 34.529 5.989 1.00 31.89 ? 104 LEU G C 1 ATOM 9312 O O . LEU G 3 103 ? 0.089 34.524 4.972 1.00 33.47 ? 104 LEU G O 1 ATOM 9313 C CB . LEU G 3 103 ? -1.934 36.657 6.222 1.00 30.79 ? 104 LEU G CB 1 ATOM 9314 C CG . LEU G 3 103 ? -2.328 37.972 6.915 1.00 30.72 ? 104 LEU G CG 1 ATOM 9315 C CD1 . LEU G 3 103 ? -3.565 38.562 6.255 1.00 31.30 ? 104 LEU G CD1 1 ATOM 9316 C CD2 . LEU G 3 103 ? -2.569 37.815 8.408 1.00 29.42 ? 104 LEU G CD2 1 ATOM 9317 N N . HIS G 3 104 ? -1.214 33.445 6.456 1.00 31.00 ? 105 HIS G N 1 ATOM 9318 C CA . HIS G 3 104 ? -1.093 32.145 5.805 1.00 31.73 ? 105 HIS G CA 1 ATOM 9319 C C . HIS G 3 104 ? -2.478 31.689 5.347 1.00 30.80 ? 105 HIS G C 1 ATOM 9320 O O . HIS G 3 104 ? -3.343 31.372 6.168 1.00 29.54 ? 105 HIS G O 1 ATOM 9321 C CB . HIS G 3 104 ? -0.450 31.127 6.755 1.00 32.16 ? 105 HIS G CB 1 ATOM 9322 C CG . HIS G 3 104 ? 0.896 31.545 7.271 1.00 33.20 ? 105 HIS G CG 1 ATOM 9323 N ND1 . HIS G 3 104 ? 2.075 31.014 6.793 1.00 35.27 ? 105 HIS G ND1 1 ATOM 9324 C CD2 . HIS G 3 104 ? 1.247 32.446 8.219 1.00 32.34 ? 105 HIS G CD2 1 ATOM 9325 C CE1 . HIS G 3 104 ? 3.094 31.570 7.425 1.00 35.73 ? 105 HIS G CE1 1 ATOM 9326 N NE2 . HIS G 3 104 ? 2.618 32.444 8.294 1.00 33.65 ? 105 HIS G NE2 1 ATOM 9327 N N . PHE G 3 105 ? -2.680 31.678 4.031 1.00 31.70 ? 106 PHE G N 1 ATOM 9328 C CA . PHE G 3 105 ? -3.988 31.424 3.436 1.00 31.00 ? 106 PHE G CA 1 ATOM 9329 C C . PHE G 3 105 ? -4.194 29.959 3.060 1.00 31.78 ? 106 PHE G C 1 ATOM 9330 O O . PHE G 3 105 ? -3.320 29.332 2.454 1.00 33.42 ? 106 PHE G O 1 ATOM 9331 C CB . PHE G 3 105 ? -4.174 32.277 2.182 1.00 31.99 ? 106 PHE G CB 1 ATOM 9332 C CG . PHE G 3 105 ? -4.264 33.754 2.445 1.00 31.89 ? 106 PHE G CG 1 ATOM 9333 C CD1 . PHE G 3 105 ? -3.111 34.526 2.588 1.00 33.28 ? 106 PHE G CD1 1 ATOM 9334 C CD2 . PHE G 3 105 ? -5.499 34.384 2.511 1.00 30.74 ? 106 PHE G CD2 1 ATOM 9335 C CE1 . PHE G 3 105 ? -3.194 35.896 2.817 1.00 33.08 ? 106 PHE G CE1 1 ATOM 9336 C CE2 . PHE G 3 105 ? -5.589 35.756 2.737 1.00 31.10 ? 106 PHE G CE2 1 ATOM 9337 C CZ . PHE G 3 105 ? -4.438 36.512 2.889 1.00 31.85 ? 106 PHE G CZ 1 ATOM 9338 N N . GLY G 3 106 ? -5.361 29.427 3.421 1.00 30.65 ? 107 GLY G N 1 ATOM 9339 C CA . GLY G 3 106 ? -5.806 28.126 2.938 1.00 31.46 ? 107 GLY G CA 1 ATOM 9340 C C . GLY G 3 106 ? -6.366 28.286 1.540 1.00 32.24 ? 107 GLY G C 1 ATOM 9341 O O . GLY G 3 106 ? -6.670 29.402 1.120 1.00 31.93 ? 107 GLY G O 1 ATOM 9342 N N . ALA G 3 107 ? -6.500 27.178 0.815 1.00 33.71 ? 108 ALA G N 1 ATOM 9343 C CA . ALA G 3 107 ? -7.000 27.220 -0.561 1.00 34.88 ? 108 ALA G CA 1 ATOM 9344 C C . ALA G 3 107 ? -8.522 27.369 -0.643 1.00 33.64 ? 108 ALA G C 1 ATOM 9345 O O . ALA G 3 107 ? -9.079 27.478 -1.736 1.00 34.59 ? 108 ALA G O 1 ATOM 9346 C CB . ALA G 3 107 ? -6.535 26.003 -1.339 1.00 37.32 ? 108 ALA G CB 1 ATOM 9347 N N . GLY G 3 108 ? -9.189 27.356 0.510 1.00 31.92 ? 109 GLY G N 1 ATOM 9348 C CA . GLY G 3 108 ? -10.627 27.615 0.578 1.00 31.01 ? 109 GLY G CA 1 ATOM 9349 C C . GLY G 3 108 ? -11.543 26.431 0.330 1.00 31.55 ? 109 GLY G C 1 ATOM 9350 O O . GLY G 3 108 ? -11.155 25.443 -0.293 1.00 33.22 ? 109 GLY G O 1 ATOM 9351 N N . THR G 3 109 ? -12.772 26.545 0.825 1.00 30.65 ? 110 THR G N 1 ATOM 9352 C CA . THR G 3 109 ? -13.798 25.520 0.641 1.00 31.18 ? 110 THR G CA 1 ATOM 9353 C C . THR G 3 109 ? -14.955 26.090 -0.165 1.00 31.10 ? 110 THR G C 1 ATOM 9354 O O . THR G 3 109 ? -15.516 27.118 0.208 1.00 30.25 ? 110 THR G O 1 ATOM 9355 C CB . THR G 3 109 ? -14.333 25.029 1.999 1.00 30.42 ? 110 THR G CB 1 ATOM 9356 O OG1 . THR G 3 109 ? -13.322 24.260 2.658 1.00 31.37 ? 110 THR G OG1 1 ATOM 9357 C CG2 . THR G 3 109 ? -15.570 24.167 1.817 1.00 30.93 ? 110 THR G CG2 1 ATOM 9358 N N . GLN G 3 110 ? -15.307 25.421 -1.264 1.00 32.41 ? 111 GLN G N 1 ATOM 9359 C CA . GLN G 3 110 ? -16.447 25.835 -2.093 1.00 32.74 ? 111 GLN G CA 1 ATOM 9360 C C . GLN G 3 110 ? -17.768 25.331 -1.518 1.00 31.74 ? 111 GLN G C 1 ATOM 9361 O O . GLN G 3 110 ? -17.970 24.128 -1.377 1.00 32.37 ? 111 GLN G O 1 ATOM 9362 C CB . GLN G 3 110 ? -16.282 25.344 -3.535 1.00 34.90 ? 111 GLN G CB 1 ATOM 9363 C CG . GLN G 3 110 ? -15.234 26.102 -4.345 1.00 37.29 ? 111 GLN G CG 1 ATOM 9364 C CD . GLN G 3 110 ? -14.609 25.261 -5.455 1.00 41.54 ? 111 GLN G CD 1 ATOM 9365 O OE1 . GLN G 3 110 ? -15.018 24.122 -5.703 1.00 43.02 ? 111 GLN G OE1 1 ATOM 9366 N NE2 . GLN G 3 110 ? -13.603 25.822 -6.123 1.00 43.58 ? 111 GLN G NE2 1 ATOM 9367 N N . LEU G 3 111 ? -18.657 26.253 -1.172 1.00 30.55 ? 112 LEU G N 1 ATOM 9368 C CA . LEU G 3 111 ? -19.997 25.887 -0.742 1.00 30.27 ? 112 LEU G CA 1 ATOM 9369 C C . LEU G 3 111 ? -21.027 26.215 -1.816 1.00 31.22 ? 112 LEU G C 1 ATOM 9370 O O . LEU G 3 111 ? -21.042 27.323 -2.353 1.00 31.64 ? 112 LEU G O 1 ATOM 9371 C CB . LEU G 3 111 ? -20.359 26.586 0.569 1.00 29.18 ? 112 LEU G CB 1 ATOM 9372 C CG . LEU G 3 111 ? -21.790 26.418 1.096 1.00 29.30 ? 112 LEU G CG 1 ATOM 9373 C CD1 . LEU G 3 111 ? -22.120 24.962 1.378 1.00 29.93 ? 112 LEU G CD1 1 ATOM 9374 C CD2 . LEU G 3 111 ? -22.005 27.255 2.341 1.00 28.91 ? 112 LEU G CD2 1 ATOM 9375 N N . ILE G 3 112 ? -21.872 25.239 -2.136 1.00 31.87 ? 113 ILE G N 1 ATOM 9376 C CA . ILE G 3 112 ? -23.030 25.476 -2.995 1.00 32.89 ? 113 ILE G CA 1 ATOM 9377 C C . ILE G 3 112 ? -24.303 25.130 -2.227 1.00 32.83 ? 113 ILE G C 1 ATOM 9378 O O . ILE G 3 112 ? -24.467 24.005 -1.748 1.00 32.81 ? 113 ILE G O 1 ATOM 9379 C CB . ILE G 3 112 ? -22.962 24.676 -4.324 1.00 34.43 ? 113 ILE G CB 1 ATOM 9380 C CG1 . ILE G 3 112 ? -21.766 25.130 -5.167 1.00 35.12 ? 113 ILE G CG1 1 ATOM 9381 C CG2 . ILE G 3 112 ? -24.263 24.836 -5.119 1.00 35.47 ? 113 ILE G CG2 1 ATOM 9382 C CD1 . ILE G 3 112 ? -21.511 24.282 -6.413 1.00 37.09 ? 113 ILE G CD1 1 ATOM 9383 N N . VAL G 3 113 ? -25.192 26.110 -2.102 1.00 33.10 ? 114 VAL G N 1 ATOM 9384 C CA . VAL G 3 113 ? -26.482 25.903 -1.444 1.00 33.56 ? 114 VAL G CA 1 ATOM 9385 C C . VAL G 3 113 ? -27.589 25.786 -2.497 1.00 35.14 ? 114 VAL G C 1 ATOM 9386 O O . VAL G 3 113 ? -27.784 26.689 -3.309 1.00 35.94 ? 114 VAL G O 1 ATOM 9387 C CB . VAL G 3 113 ? -26.803 27.035 -0.433 1.00 33.15 ? 114 VAL G CB 1 ATOM 9388 C CG1 . VAL G 3 113 ? -27.967 26.643 0.455 1.00 33.72 ? 114 VAL G CG1 1 ATOM 9389 C CG2 . VAL G 3 113 ? -25.589 27.354 0.423 1.00 31.68 ? 114 VAL G CG2 1 ATOM 9390 N N . ILE G 3 114 ? -28.291 24.659 -2.494 1.00 35.99 ? 115 ILE G N 1 ATOM 9391 C CA . ILE G 3 114 ? -29.410 24.457 -3.409 1.00 37.84 ? 115 ILE G CA 1 ATOM 9392 C C . ILE G 3 114 ? -30.646 25.162 -2.848 1.00 38.77 ? 115 ILE G C 1 ATOM 9393 O O . ILE G 3 114 ? -31.038 24.900 -1.707 1.00 38.49 ? 115 ILE G O 1 ATOM 9394 C CB . ILE G 3 114 ? -29.714 22.956 -3.639 1.00 38.64 ? 115 ILE G CB 1 ATOM 9395 C CG1 . ILE G 3 114 ? -28.487 22.232 -4.204 1.00 38.43 ? 115 ILE G CG1 1 ATOM 9396 C CG2 . ILE G 3 114 ? -30.915 22.780 -4.575 1.00 40.29 ? 115 ILE G CG2 1 ATOM 9397 C CD1 . ILE G 3 114 ? -28.646 20.708 -4.266 1.00 40.18 ? 115 ILE G CD1 1 ATOM 9398 N N . PRO G 3 115 ? -31.257 26.065 -3.646 1.00 40.22 ? 116 PRO G N 1 ATOM 9399 C CA . PRO G 3 115 ? -32.423 26.828 -3.195 1.00 41.53 ? 116 PRO G CA 1 ATOM 9400 C C . PRO G 3 115 ? -33.678 25.969 -3.101 1.00 42.91 ? 116 PRO G C 1 ATOM 9401 O O . PRO G 3 115 ? -33.862 25.054 -3.905 1.00 43.40 ? 116 PRO G O 1 ATOM 9402 C CB . PRO G 3 115 ? -32.588 27.894 -4.284 1.00 42.89 ? 116 PRO G CB 1 ATOM 9403 C CG . PRO G 3 115 ? -32.014 27.273 -5.502 1.00 43.07 ? 116 PRO G CG 1 ATOM 9404 C CD . PRO G 3 115 ? -30.868 26.424 -5.025 1.00 41.04 ? 116 PRO G CD 1 ATOM 9405 N N . ASP G 3 116 ? -34.521 26.268 -2.115 1.00 43.87 ? 117 ASP G N 1 ATOM 9406 C CA . ASP G 3 116 ? -35.785 25.564 -1.919 1.00 45.81 ? 117 ASP G CA 1 ATOM 9407 C C . ASP G 3 116 ? -36.906 26.280 -2.676 1.00 47.98 ? 117 ASP G C 1 ATOM 9408 O O . ASP G 3 116 ? -37.245 27.426 -2.366 1.00 49.11 ? 117 ASP G O 1 ATOM 9409 C CB . ASP G 3 116 ? -36.114 25.469 -0.423 1.00 46.21 ? 117 ASP G CB 1 ATOM 9410 C CG . ASP G 3 116 ? -37.219 24.458 -0.114 1.00 48.78 ? 117 ASP G CG 1 ATOM 9411 O OD1 . ASP G 3 116 ? -37.855 23.922 -1.052 1.00 50.32 ? 117 ASP G OD1 1 ATOM 9412 O OD2 . ASP G 3 116 ? -37.452 24.198 1.089 1.00 50.42 ? 117 ASP G OD2 1 ATOM 9413 N N . ILE G 3 117 ? -37.468 25.604 -3.673 1.00 60.02 ? 118 ILE G N 1 ATOM 9414 C CA . ILE G 3 117 ? -38.542 26.182 -4.476 1.00 58.04 ? 118 ILE G CA 1 ATOM 9415 C C . ILE G 3 117 ? -39.912 25.652 -4.041 1.00 61.05 ? 118 ILE G C 1 ATOM 9416 O O . ILE G 3 117 ? -40.191 24.454 -4.140 1.00 63.67 ? 118 ILE G O 1 ATOM 9417 C CB . ILE G 3 117 ? -38.284 26.000 -5.993 1.00 55.78 ? 118 ILE G CB 1 ATOM 9418 C CG1 . ILE G 3 117 ? -37.096 26.876 -6.417 1.00 52.61 ? 118 ILE G CG1 1 ATOM 9419 C CG2 . ILE G 3 117 ? -39.541 26.339 -6.808 1.00 55.31 ? 118 ILE G CG2 1 ATOM 9420 C CD1 . ILE G 3 117 ? -36.640 26.697 -7.850 1.00 50.73 ? 118 ILE G CD1 1 ATOM 9421 N N . GLN G 3 118 ? -40.750 26.568 -3.558 1.00 61.17 ? 119 GLN G N 1 ATOM 9422 C CA . GLN G 3 118 ? -42.030 26.229 -2.932 1.00 64.73 ? 119 GLN G CA 1 ATOM 9423 C C . GLN G 3 118 ? -43.107 25.766 -3.920 1.00 65.55 ? 119 GLN G C 1 ATOM 9424 O O . GLN G 3 118 ? -43.706 24.702 -3.737 1.00 69.00 ? 119 GLN G O 1 ATOM 9425 C CB . GLN G 3 118 ? -42.542 27.412 -2.100 1.00 65.17 ? 119 GLN G CB 1 ATOM 9426 N N . ASN G 3 119 ? -43.350 26.562 -4.959 1.00 62.92 ? 120 ASN G N 1 ATOM 9427 C CA . ASN G 3 119 ? -44.374 26.234 -5.953 1.00 64.19 ? 120 ASN G CA 1 ATOM 9428 C C . ASN G 3 119 ? -43.841 26.201 -7.394 1.00 61.43 ? 120 ASN G C 1 ATOM 9429 O O . ASN G 3 119 ? -43.970 27.188 -8.126 1.00 59.28 ? 120 ASN G O 1 ATOM 9430 C CB . ASN G 3 119 ? -45.578 27.178 -5.825 1.00 65.39 ? 120 ASN G CB 1 ATOM 9431 N N . PRO G 3 120 ? -43.238 25.063 -7.803 1.00 62.01 ? 121 PRO G N 1 ATOM 9432 C CA . PRO G 3 120 ? -42.726 24.916 -9.168 1.00 60.12 ? 121 PRO G CA 1 ATOM 9433 C C . PRO G 3 120 ? -43.842 24.936 -10.218 1.00 61.58 ? 121 PRO G C 1 ATOM 9434 O O . PRO G 3 120 ? -44.906 24.342 -10.013 1.00 65.34 ? 121 PRO G O 1 ATOM 9435 C CB . PRO G 3 120 ? -42.031 23.548 -9.142 1.00 62.10 ? 121 PRO G CB 1 ATOM 9436 C CG . PRO G 3 120 ? -42.670 22.812 -8.024 1.00 66.11 ? 121 PRO G CG 1 ATOM 9437 C CD . PRO G 3 120 ? -42.997 23.851 -6.996 1.00 65.16 ? 121 PRO G CD 1 ATOM 9438 N N . ASP G 3 121 ? -43.585 25.624 -11.327 1.00 59.02 ? 122 ASP G N 1 ATOM 9439 C CA . ASP G 3 121 ? -44.548 25.769 -12.414 1.00 60.51 ? 122 ASP G CA 1 ATOM 9440 C C . ASP G 3 121 ? -43.803 25.736 -13.753 1.00 58.76 ? 122 ASP G C 1 ATOM 9441 O O . ASP G 3 121 ? -43.773 26.737 -14.471 1.00 57.01 ? 122 ASP G O 1 ATOM 9442 C CB . ASP G 3 121 ? -45.323 27.085 -12.244 1.00 60.06 ? 122 ASP G CB 1 ATOM 9443 C CG . ASP G 3 121 ? -46.543 27.184 -13.149 1.00 63.44 ? 122 ASP G CG 1 ATOM 9444 O OD1 . ASP G 3 121 ? -46.995 26.151 -13.693 1.00 66.91 ? 122 ASP G OD1 1 ATOM 9445 O OD2 . ASP G 3 121 ? -47.057 28.311 -13.306 1.00 63.51 ? 122 ASP G OD2 1 ATOM 9446 N N . PRO G 3 122 ? -43.200 24.576 -14.093 1.00 59.85 ? 123 PRO G N 1 ATOM 9447 C CA . PRO G 3 122 ? -42.311 24.448 -15.254 1.00 58.53 ? 123 PRO G CA 1 ATOM 9448 C C . PRO G 3 122 ? -42.982 24.836 -16.565 1.00 59.58 ? 123 PRO G C 1 ATOM 9449 O O . PRO G 3 122 ? -44.104 24.399 -16.837 1.00 63.37 ? 123 PRO G O 1 ATOM 9450 C CB . PRO G 3 122 ? -41.957 22.957 -15.269 1.00 61.60 ? 123 PRO G CB 1 ATOM 9451 C CG . PRO G 3 122 ? -42.227 22.484 -13.888 1.00 63.21 ? 123 PRO G CG 1 ATOM 9452 C CD . PRO G 3 122 ? -43.399 23.279 -13.425 1.00 63.35 ? 123 PRO G CD 1 ATOM 9453 N N . ALA G 3 123 ? -42.290 25.654 -17.356 1.00 56.72 ? 124 ALA G N 1 ATOM 9454 C CA . ALA G 3 123 ? -42.798 26.135 -18.640 1.00 57.82 ? 124 ALA G CA 1 ATOM 9455 C C . ALA G 3 123 ? -41.674 26.560 -19.586 1.00 55.50 ? 124 ALA G C 1 ATOM 9456 O O . ALA G 3 123 ? -40.568 26.884 -19.150 1.00 52.22 ? 124 ALA G O 1 ATOM 9457 C CB . ALA G 3 123 ? -43.777 27.281 -18.429 1.00 57.90 ? 124 ALA G CB 1 ATOM 9458 N N . VAL G 3 124 ? -41.972 26.551 -20.883 1.00 57.72 ? 125 VAL G N 1 ATOM 9459 C CA . VAL G 3 124 ? -41.028 26.988 -21.911 1.00 56.41 ? 125 VAL G CA 1 ATOM 9460 C C . VAL G 3 124 ? -41.649 28.117 -22.733 1.00 57.11 ? 125 VAL G C 1 ATOM 9461 O O . VAL G 3 124 ? -42.643 27.913 -23.432 1.00 60.93 ? 125 VAL G O 1 ATOM 9462 C CB . VAL G 3 124 ? -40.585 25.819 -22.830 1.00 59.21 ? 125 VAL G CB 1 ATOM 9463 C CG1 . VAL G 3 124 ? -39.707 26.324 -23.966 1.00 58.69 ? 125 VAL G CG1 1 ATOM 9464 C CG2 . VAL G 3 124 ? -39.843 24.758 -22.030 1.00 58.87 ? 125 VAL G CG2 1 ATOM 9465 N N . TYR G 3 125 ? -41.054 29.304 -22.638 1.00 54.04 ? 126 TYR G N 1 ATOM 9466 C CA . TYR G 3 125 ? -41.591 30.502 -23.278 1.00 55.03 ? 126 TYR G CA 1 ATOM 9467 C C . TYR G 3 125 ? -40.725 30.980 -24.441 1.00 54.95 ? 126 TYR G C 1 ATOM 9468 O O . TYR G 3 125 ? -39.505 30.819 -24.426 1.00 52.71 ? 126 TYR G O 1 ATOM 9469 C CB . TYR G 3 125 ? -41.742 31.634 -22.257 1.00 52.77 ? 126 TYR G CB 1 ATOM 9470 C CG . TYR G 3 125 ? -42.635 31.324 -21.074 1.00 53.15 ? 126 TYR G CG 1 ATOM 9471 C CD1 . TYR G 3 125 ? -44.017 31.209 -21.225 1.00 56.71 ? 126 TYR G CD1 1 ATOM 9472 C CD2 . TYR G 3 125 ? -42.097 31.171 -19.793 1.00 50.32 ? 126 TYR G CD2 1 ATOM 9473 C CE1 . TYR G 3 125 ? -44.840 30.932 -20.133 1.00 57.62 ? 126 TYR G CE1 1 ATOM 9474 C CE2 . TYR G 3 125 ? -42.910 30.897 -18.697 1.00 50.83 ? 126 TYR G CE2 1 ATOM 9475 C CZ . TYR G 3 125 ? -44.279 30.782 -18.871 1.00 54.61 ? 126 TYR G CZ 1 ATOM 9476 O OH . TYR G 3 125 ? -45.083 30.510 -17.785 1.00 55.57 ? 126 TYR G OH 1 ATOM 9477 N N . GLN G 3 126 ? -41.370 31.575 -25.442 1.00 57.96 ? 127 GLN G N 1 ATOM 9478 C CA . GLN G 3 126 ? -40.675 32.141 -26.593 1.00 58.69 ? 127 GLN G CA 1 ATOM 9479 C C . GLN G 3 126 ? -40.600 33.662 -26.466 1.00 57.76 ? 127 GLN G C 1 ATOM 9480 O O . GLN G 3 126 ? -41.625 34.348 -26.457 1.00 60.01 ? 127 GLN G O 1 ATOM 9481 C CB . GLN G 3 126 ? -41.379 31.736 -27.890 1.00 63.69 ? 127 GLN G CB 1 ATOM 9482 C CG . GLN G 3 126 ? -40.583 32.018 -29.160 1.00 65.09 ? 127 GLN G CG 1 ATOM 9483 C CD . GLN G 3 126 ? -41.260 31.496 -30.422 1.00 70.92 ? 127 GLN G CD 1 ATOM 9484 O OE1 . GLN G 3 126 ? -40.631 31.401 -31.474 1.00 72.95 ? 127 GLN G OE1 1 ATOM 9485 N NE2 . GLN G 3 126 ? -42.543 31.159 -30.322 1.00 74.16 ? 127 GLN G NE2 1 ATOM 9486 N N . LEU G 3 127 ? -39.378 34.176 -26.366 1.00 55.03 ? 128 LEU G N 1 ATOM 9487 C CA . LEU G 3 127 ? -39.136 35.603 -26.168 1.00 54.38 ? 128 LEU G CA 1 ATOM 9488 C C . LEU G 3 127 ? -38.487 36.209 -27.403 1.00 56.36 ? 128 LEU G C 1 ATOM 9489 O O . LEU G 3 127 ? -37.479 35.703 -27.889 1.00 55.63 ? 128 LEU G O 1 ATOM 9490 C CB . LEU G 3 127 ? -38.230 35.828 -24.956 1.00 50.38 ? 128 LEU G CB 1 ATOM 9491 C CG . LEU G 3 127 ? -38.748 35.632 -23.529 1.00 48.48 ? 128 LEU G CG 1 ATOM 9492 C CD1 . LEU G 3 127 ? -39.011 34.170 -23.201 1.00 48.20 ? 128 LEU G CD1 1 ATOM 9493 C CD2 . LEU G 3 127 ? -37.733 36.206 -22.566 1.00 45.29 ? 128 LEU G CD2 1 ATOM 9494 N N . ARG G 3 128 ? -39.056 37.303 -27.898 1.00 59.51 ? 129 ARG G N 1 ATOM 9495 C CA . ARG G 3 128 ? -38.591 37.901 -29.148 1.00 62.54 ? 129 ARG G CA 1 ATOM 9496 C C . ARG G 3 128 ? -37.717 39.136 -28.940 1.00 61.67 ? 129 ARG G C 1 ATOM 9497 O O . ARG G 3 128 ? -37.824 39.817 -27.918 1.00 60.10 ? 129 ARG G O 1 ATOM 9498 C CB . ARG G 3 128 ? -39.777 38.198 -30.071 1.00 67.86 ? 129 ARG G CB 1 ATOM 9499 C CG . ARG G 3 128 ? -40.495 36.938 -30.529 1.00 70.35 ? 129 ARG G CG 1 ATOM 9500 C CD . ARG G 3 128 ? -41.595 37.232 -31.527 1.00 77.61 ? 129 ARG G CD 1 ATOM 9501 N NE . ARG G 3 128 ? -42.187 35.997 -32.037 1.00 80.99 ? 129 ARG G NE 1 ATOM 9502 C CZ . ARG G 3 128 ? -41.785 35.360 -33.136 1.00 83.81 ? 129 ARG G CZ 1 ATOM 9503 N NH1 . ARG G 3 128 ? -40.782 35.837 -33.865 1.00 84.02 ? 129 ARG G NH1 1 ATOM 9504 N NH2 . ARG G 3 128 ? -42.393 34.242 -33.510 1.00 86.92 ? 129 ARG G NH2 1 ATOM 9505 N N . ASP G 3 129 ? -36.846 39.401 -29.913 1.00 63.23 ? 130 ASP G N 1 ATOM 9506 C CA . ASP G 3 129 ? -35.923 40.535 -29.874 1.00 63.38 ? 130 ASP G CA 1 ATOM 9507 C C . ASP G 3 129 ? -36.671 41.861 -30.009 1.00 67.14 ? 130 ASP G C 1 ATOM 9508 O O . ASP G 3 129 ? -37.688 41.945 -30.702 1.00 71.01 ? 130 ASP G O 1 ATOM 9509 C CB . ASP G 3 129 ? -34.875 40.397 -30.986 1.00 64.88 ? 130 ASP G CB 1 ATOM 9510 C CG . ASP G 3 129 ? -33.660 41.296 -30.781 1.00 64.45 ? 130 ASP G CG 1 ATOM 9511 O OD1 . ASP G 3 129 ? -33.819 42.515 -30.563 1.00 66.21 ? 130 ASP G OD1 1 ATOM 9512 O OD2 . ASP G 3 129 ? -32.529 40.779 -30.866 1.00 63.23 ? 130 ASP G OD2 1 ATOM 9513 N N . SER G 3 130 ? -36.157 42.888 -29.337 1.00 66.70 ? 131 SER G N 1 ATOM 9514 C CA . SER G 3 130 ? -36.740 44.229 -29.373 1.00 70.81 ? 131 SER G CA 1 ATOM 9515 C C . SER G 3 130 ? -36.403 44.974 -30.662 1.00 75.65 ? 131 SER G C 1 ATOM 9516 O O . SER G 3 130 ? -37.140 45.869 -31.075 1.00 80.51 ? 131 SER G O 1 ATOM 9517 C CB . SER G 3 130 ? -36.273 45.045 -28.165 1.00 69.13 ? 131 SER G CB 1 ATOM 9518 O OG . SER G 3 130 ? -34.863 45.194 -28.161 1.00 67.84 ? 131 SER G OG 1 ATOM 9519 N N . LYS G 3 131 ? -35.287 44.602 -31.285 1.00 74.97 ? 132 LYS G N 1 ATOM 9520 C CA . LYS G 3 131 ? -34.814 45.249 -32.510 1.00 79.76 ? 132 LYS G CA 1 ATOM 9521 C C . LYS G 3 131 ? -34.993 44.375 -33.755 1.00 81.92 ? 132 LYS G C 1 ATOM 9522 O O . LYS G 3 131 ? -34.671 44.794 -34.869 1.00 86.35 ? 132 LYS G O 1 ATOM 9523 C CB . LYS G 3 131 ? -33.349 45.685 -32.354 1.00 78.70 ? 132 LYS G CB 1 ATOM 9524 C CG . LYS G 3 131 ? -33.159 47.133 -31.899 1.00 81.56 ? 132 LYS G CG 1 ATOM 9525 C CD . LYS G 3 131 ? -33.636 47.375 -30.469 1.00 79.30 ? 132 LYS G CD 1 ATOM 9526 C CE . LYS G 3 131 ? -33.882 48.859 -30.216 1.00 84.30 ? 132 LYS G CE 1 ATOM 9527 N NZ . LYS G 3 131 ? -34.487 49.106 -28.874 1.00 82.65 ? 132 LYS G NZ 1 ATOM 9528 N N . SER G 3 132 ? -35.512 43.165 -33.555 1.00 79.42 ? 133 SER G N 1 ATOM 9529 C CA . SER G 3 132 ? -35.762 42.223 -34.645 1.00 81.77 ? 133 SER G CA 1 ATOM 9530 C C . SER G 3 132 ? -36.973 41.341 -34.340 1.00 81.24 ? 133 SER G C 1 ATOM 9531 O O . SER G 3 132 ? -37.052 40.722 -33.278 1.00 76.79 ? 133 SER G O 1 ATOM 9532 C CB . SER G 3 132 ? -34.523 41.359 -34.904 1.00 79.40 ? 133 SER G CB 1 ATOM 9533 O OG . SER G 3 132 ? -34.784 40.357 -35.872 1.00 81.89 ? 133 SER G OG 1 ATOM 9534 N N . SER G 3 133 ? -37.912 41.290 -35.282 1.00 86.47 ? 134 SER G N 1 ATOM 9535 C CA . SER G 3 133 ? -39.116 40.470 -35.144 1.00 87.32 ? 134 SER G CA 1 ATOM 9536 C C . SER G 3 133 ? -38.813 38.975 -35.302 1.00 85.37 ? 134 SER G C 1 ATOM 9537 O O . SER G 3 133 ? -39.504 38.129 -34.727 1.00 83.96 ? 134 SER G O 1 ATOM 9538 C CB . SER G 3 133 ? -40.171 40.906 -36.166 1.00 94.49 ? 134 SER G CB 1 ATOM 9539 O OG . SER G 3 133 ? -41.377 40.179 -36.007 1.00 95.99 ? 134 SER G OG 1 ATOM 9540 N N . ASP G 3 134 ? -37.766 38.668 -36.066 1.00 85.75 ? 135 ASP G N 1 ATOM 9541 C CA . ASP G 3 134 ? -37.446 37.295 -36.462 1.00 85.47 ? 135 ASP G CA 1 ATOM 9542 C C . ASP G 3 134 ? -36.287 36.657 -35.684 1.00 79.90 ? 135 ASP G C 1 ATOM 9543 O O . ASP G 3 134 ? -35.740 35.637 -36.113 1.00 80.34 ? 135 ASP G O 1 ATOM 9544 C CB . ASP G 3 134 ? -37.148 37.246 -37.964 1.00 91.00 ? 135 ASP G CB 1 ATOM 9545 C CG . ASP G 3 134 ? -36.046 38.206 -38.366 1.00 91.61 ? 135 ASP G CG 1 ATOM 9546 O OD1 . ASP G 3 134 ? -34.883 37.763 -38.479 1.00 90.05 ? 135 ASP G OD1 1 ATOM 9547 O OD2 . ASP G 3 134 ? -36.341 39.408 -38.546 1.00 94.33 ? 135 ASP G OD2 1 ATOM 9548 N N . LYS G 3 135 ? -35.913 37.255 -34.555 1.00 75.40 ? 136 LYS G N 1 ATOM 9549 C CA . LYS G 3 135 ? -34.899 36.672 -33.669 1.00 70.43 ? 136 LYS G CA 1 ATOM 9550 C C . LYS G 3 135 ? -35.487 36.408 -32.287 1.00 66.43 ? 136 LYS G C 1 ATOM 9551 O O . LYS G 3 135 ? -36.073 37.304 -31.676 1.00 65.89 ? 136 LYS G O 1 ATOM 9552 C CB . LYS G 3 135 ? -33.665 37.575 -33.566 1.00 69.25 ? 136 LYS G CB 1 ATOM 9553 C CG . LYS G 3 135 ? -32.743 37.518 -34.776 1.00 72.61 ? 136 LYS G CG 1 ATOM 9554 C CD . LYS G 3 135 ? -31.420 38.218 -34.495 1.00 71.46 ? 136 LYS G CD 1 ATOM 9555 N N . SER G 3 136 ? -35.337 35.179 -31.800 1.00 64.21 ? 137 SER G N 1 ATOM 9556 C CA . SER G 3 136 ? -35.936 34.795 -30.520 1.00 61.11 ? 137 SER G CA 1 ATOM 9557 C C . SER G 3 136 ? -35.095 33.820 -29.692 1.00 57.76 ? 137 SER G C 1 ATOM 9558 O O . SER G 3 136 ? -34.170 33.188 -30.204 1.00 58.27 ? 137 SER G O 1 ATOM 9559 C CB . SER G 3 136 ? -37.355 34.239 -30.731 1.00 63.83 ? 137 SER G CB 1 ATOM 9560 O OG . SER G 3 136 ? -37.335 32.958 -31.332 1.00 65.78 ? 137 SER G OG 1 ATOM 9561 N N . VAL G 3 137 ? -35.425 33.728 -28.404 1.00 54.85 ? 138 VAL G N 1 ATOM 9562 C CA . VAL G 3 137 ? -34.847 32.734 -27.498 1.00 52.51 ? 138 VAL G CA 1 ATOM 9563 C C . VAL G 3 137 ? -35.950 31.892 -26.856 1.00 52.84 ? 138 VAL G C 1 ATOM 9564 O O . VAL G 3 137 ? -37.127 32.267 -26.883 1.00 54.14 ? 138 VAL G O 1 ATOM 9565 C CB . VAL G 3 137 ? -33.984 33.375 -26.373 1.00 49.11 ? 138 VAL G CB 1 ATOM 9566 C CG1 . VAL G 3 137 ? -32.715 33.985 -26.942 1.00 49.30 ? 138 VAL G CG1 1 ATOM 9567 C CG2 . VAL G 3 137 ? -34.781 34.410 -25.580 1.00 47.94 ? 138 VAL G CG2 1 ATOM 9568 N N . CYS G 3 138 ? -35.560 30.757 -26.281 1.00 52.20 ? 139 CYS G N 1 ATOM 9569 C CA . CYS G 3 138 ? -36.486 29.907 -25.540 1.00 52.67 ? 139 CYS G CA 1 ATOM 9570 C C . CYS G 3 138 ? -36.093 29.853 -24.072 1.00 49.52 ? 139 CYS G C 1 ATOM 9571 O O . CYS G 3 138 ? -34.941 29.570 -23.738 1.00 48.29 ? 139 CYS G O 1 ATOM 9572 C CB . CYS G 3 138 ? -36.534 28.507 -26.138 1.00 55.72 ? 139 CYS G CB 1 ATOM 9573 S SG . CYS G 3 138 ? -37.084 28.495 -27.849 1.00 61.13 ? 139 CYS G SG 1 ATOM 9574 N N . LEU G 3 139 ? -37.058 30.132 -23.204 1.00 48.83 ? 140 LEU G N 1 ATOM 9575 C CA . LEU G 3 139 ? -36.808 30.206 -21.773 1.00 46.35 ? 140 LEU G CA 1 ATOM 9576 C C . LEU G 3 139 ? -37.518 29.092 -21.017 1.00 47.53 ? 140 LEU G C 1 ATOM 9577 O O . LEU G 3 139 ? -38.743 29.101 -20.888 1.00 49.17 ? 140 LEU G O 1 ATOM 9578 C CB . LEU G 3 139 ? -37.236 31.575 -21.231 1.00 45.05 ? 140 LEU G CB 1 ATOM 9579 C CG . LEU G 3 139 ? -37.002 31.895 -19.751 1.00 42.91 ? 140 LEU G CG 1 ATOM 9580 C CD1 . LEU G 3 139 ? -35.517 32.083 -19.446 1.00 41.14 ? 140 LEU G CD1 1 ATOM 9581 C CD2 . LEU G 3 139 ? -37.786 33.131 -19.358 1.00 42.54 ? 140 LEU G CD2 1 ATOM 9582 N N . PHE G 3 140 ? -36.734 28.134 -20.529 1.00 47.30 ? 141 PHE G N 1 ATOM 9583 C CA . PHE G 3 140 ? -37.223 27.088 -19.640 1.00 48.51 ? 141 PHE G CA 1 ATOM 9584 C C . PHE G 3 140 ? -37.112 27.649 -18.232 1.00 46.27 ? 141 PHE G C 1 ATOM 9585 O O . PHE G 3 140 ? -36.009 27.947 -17.772 1.00 44.55 ? 141 PHE G O 1 ATOM 9586 C CB . PHE G 3 140 ? -36.368 25.825 -19.814 1.00 50.25 ? 141 PHE G CB 1 ATOM 9587 C CG . PHE G 3 140 ? -36.832 24.634 -19.013 1.00 52.57 ? 141 PHE G CG 1 ATOM 9588 C CD1 . PHE G 3 140 ? -38.185 24.390 -18.794 1.00 54.40 ? 141 PHE G CD1 1 ATOM 9589 C CD2 . PHE G 3 140 ? -35.900 23.727 -18.511 1.00 53.65 ? 141 PHE G CD2 1 ATOM 9590 C CE1 . PHE G 3 140 ? -38.600 23.279 -18.061 1.00 57.40 ? 141 PHE G CE1 1 ATOM 9591 C CE2 . PHE G 3 140 ? -36.304 22.613 -17.781 1.00 56.46 ? 141 PHE G CE2 1 ATOM 9592 C CZ . PHE G 3 140 ? -37.657 22.388 -17.555 1.00 58.29 ? 141 PHE G CZ 1 ATOM 9593 N N . THR G 3 141 ? -38.250 27.813 -17.558 1.00 46.82 ? 142 THR G N 1 ATOM 9594 C CA . THR G 3 141 ? -38.271 28.466 -16.242 1.00 45.31 ? 142 THR G CA 1 ATOM 9595 C C . THR G 3 141 ? -39.233 27.847 -15.221 1.00 47.19 ? 142 THR G C 1 ATOM 9596 O O . THR G 3 141 ? -40.140 27.094 -15.583 1.00 49.92 ? 142 THR G O 1 ATOM 9597 C CB . THR G 3 141 ? -38.557 29.987 -16.367 1.00 43.75 ? 142 THR G CB 1 ATOM 9598 O OG1 . THR G 3 141 ? -38.415 30.613 -15.087 1.00 42.83 ? 142 THR G OG1 1 ATOM 9599 C CG2 . THR G 3 141 ? -39.956 30.236 -16.879 1.00 45.96 ? 142 THR G CG2 1 ATOM 9600 N N . ASP G 3 142 ? -39.006 28.173 -13.948 1.00 46.26 ? 143 ASP G N 1 ATOM 9601 C CA . ASP G 3 142 ? -39.870 27.785 -12.824 1.00 48.25 ? 143 ASP G CA 1 ATOM 9602 C C . ASP G 3 142 ? -39.919 26.285 -12.525 1.00 51.06 ? 143 ASP G C 1 ATOM 9603 O O . ASP G 3 142 ? -40.846 25.799 -11.865 1.00 53.64 ? 143 ASP G O 1 ATOM 9604 C CB . ASP G 3 142 ? -41.286 28.358 -12.991 1.00 49.54 ? 143 ASP G CB 1 ATOM 9605 C CG . ASP G 3 142 ? -41.315 29.876 -12.938 1.00 48.04 ? 143 ASP G CG 1 ATOM 9606 O OD1 . ASP G 3 142 ? -40.229 30.498 -12.970 1.00 45.18 ? 143 ASP G OD1 1 ATOM 9607 O OD2 . ASP G 3 142 ? -42.431 30.445 -12.865 1.00 49.88 ? 143 ASP G OD2 1 ATOM 9608 N N . PHE G 3 143 ? -38.917 25.555 -13.002 1.00 51.10 ? 144 PHE G N 1 ATOM 9609 C CA . PHE G 3 143 ? -38.790 24.138 -12.687 1.00 54.25 ? 144 PHE G CA 1 ATOM 9610 C C . PHE G 3 143 ? -38.133 23.961 -11.315 1.00 54.74 ? 144 PHE G C 1 ATOM 9611 O O . PHE G 3 143 ? -37.442 24.863 -10.831 1.00 52.32 ? 144 PHE G O 1 ATOM 9612 C CB . PHE G 3 143 ? -38.013 23.397 -13.782 1.00 54.98 ? 144 PHE G CB 1 ATOM 9613 C CG . PHE G 3 143 ? -36.704 24.044 -14.156 1.00 51.97 ? 144 PHE G CG 1 ATOM 9614 C CD1 . PHE G 3 143 ? -35.521 23.667 -13.528 1.00 51.99 ? 144 PHE G CD1 1 ATOM 9615 C CD2 . PHE G 3 143 ? -36.650 25.019 -15.149 1.00 49.52 ? 144 PHE G CD2 1 ATOM 9616 C CE1 . PHE G 3 143 ? -34.308 24.255 -13.877 1.00 49.90 ? 144 PHE G CE1 1 ATOM 9617 C CE2 . PHE G 3 143 ? -35.443 25.615 -15.500 1.00 47.28 ? 144 PHE G CE2 1 ATOM 9618 C CZ . PHE G 3 143 ? -34.269 25.229 -14.862 1.00 47.38 ? 144 PHE G CZ 1 ATOM 9619 N N . ASP G 3 144 ? -38.366 22.810 -10.687 1.00 58.43 ? 145 ASP G N 1 ATOM 9620 C CA . ASP G 3 144 ? -37.778 22.516 -9.382 1.00 59.87 ? 145 ASP G CA 1 ATOM 9621 C C . ASP G 3 144 ? -36.299 22.140 -9.515 1.00 59.99 ? 145 ASP G C 1 ATOM 9622 O O . ASP G 3 144 ? -35.765 22.074 -10.625 1.00 59.10 ? 145 ASP G O 1 ATOM 9623 C CB . ASP G 3 144 ? -38.573 21.418 -8.659 1.00 64.44 ? 145 ASP G CB 1 ATOM 9624 C CG . ASP G 3 144 ? -38.521 20.074 -9.378 1.00 68.37 ? 145 ASP G CG 1 ATOM 9625 O OD1 . ASP G 3 144 ? -38.394 20.050 -10.623 1.00 67.90 ? 145 ASP G OD1 1 ATOM 9626 O OD2 . ASP G 3 144 ? -38.618 19.037 -8.690 1.00 72.64 ? 145 ASP G OD2 1 ATOM 9627 N N . SER G 3 145 ? -35.646 21.894 -8.381 1.00 61.74 ? 146 SER G N 1 ATOM 9628 C CA . SER G 3 145 ? -34.215 21.591 -8.356 1.00 62.62 ? 146 SER G CA 1 ATOM 9629 C C . SER G 3 145 ? -33.896 20.115 -8.627 1.00 67.20 ? 146 SER G C 1 ATOM 9630 O O . SER G 3 145 ? -32.730 19.709 -8.598 1.00 69.06 ? 146 SER G O 1 ATOM 9631 C CB . SER G 3 145 ? -33.601 22.043 -7.029 1.00 63.14 ? 146 SER G CB 1 ATOM 9632 O OG . SER G 3 145 ? -33.549 23.458 -6.948 1.00 59.43 ? 146 SER G OG 1 ATOM 9633 N N . GLN G 3 146 ? -34.931 19.321 -8.893 1.00 69.66 ? 147 GLN G N 1 ATOM 9634 C CA . GLN G 3 146 ? -34.754 17.920 -9.277 1.00 74.53 ? 147 GLN G CA 1 ATOM 9635 C C . GLN G 3 146 ? -34.647 17.786 -10.799 1.00 73.68 ? 147 GLN G C 1 ATOM 9636 O O . GLN G 3 146 ? -34.673 16.676 -11.341 1.00 77.93 ? 147 GLN G O 1 ATOM 9637 C CB . GLN G 3 146 ? -35.901 17.060 -8.734 1.00 78.79 ? 147 GLN G CB 1 ATOM 9638 N N . THR G 3 147 ? -34.523 18.929 -11.474 1.00 68.65 ? 148 THR G N 1 ATOM 9639 C CA . THR G 3 147 ? -34.401 18.987 -12.927 1.00 67.59 ? 148 THR G CA 1 ATOM 9640 C C . THR G 3 147 ? -32.995 19.434 -13.321 1.00 65.76 ? 148 THR G C 1 ATOM 9641 O O . THR G 3 147 ? -32.508 20.468 -12.856 1.00 62.49 ? 148 THR G O 1 ATOM 9642 C CB . THR G 3 147 ? -35.436 19.963 -13.539 1.00 64.15 ? 148 THR G CB 1 ATOM 9643 O OG1 . THR G 3 147 ? -36.748 19.644 -13.056 1.00 66.09 ? 148 THR G OG1 1 ATOM 9644 C CG2 . THR G 3 147 ? -35.426 19.890 -15.064 1.00 64.25 ? 148 THR G CG2 1 ATOM 9645 N N . ASN G 3 148 ? -32.350 18.644 -14.174 1.00 68.50 ? 149 ASN G N 1 ATOM 9646 C CA . ASN G 3 148 ? -31.026 18.977 -14.685 1.00 67.59 ? 149 ASN G CA 1 ATOM 9647 C C . ASN G 3 148 ? -31.066 19.252 -16.183 1.00 66.38 ? 149 ASN G C 1 ATOM 9648 O O . ASN G 3 148 ? -31.317 18.349 -16.981 1.00 69.87 ? 149 ASN G O 1 ATOM 9649 C CB . ASN G 3 148 ? -30.021 17.862 -14.368 1.00 72.69 ? 149 ASN G CB 1 ATOM 9650 C CG . ASN G 3 148 ? -29.771 17.698 -12.872 1.00 74.24 ? 149 ASN G CG 1 ATOM 9651 O OD1 . ASN G 3 148 ? -30.091 18.580 -12.071 1.00 71.00 ? 149 ASN G OD1 1 ATOM 9652 N ND2 . ASN G 3 148 ? -29.188 16.563 -12.494 1.00 79.36 ? 149 ASN G ND2 1 ATOM 9653 N N . VAL G 3 149 ? -30.831 20.508 -16.552 1.00 62.01 ? 150 VAL G N 1 ATOM 9654 C CA . VAL G 3 149 ? -30.791 20.912 -17.955 1.00 60.99 ? 150 VAL G CA 1 ATOM 9655 C C . VAL G 3 149 ? -29.460 20.474 -18.561 1.00 63.52 ? 150 VAL G C 1 ATOM 9656 O O . VAL G 3 149 ? -28.394 20.851 -18.073 1.00 62.93 ? 150 VAL G O 1 ATOM 9657 C CB . VAL G 3 149 ? -30.982 22.443 -18.121 1.00 56.20 ? 150 VAL G CB 1 ATOM 9658 C CG1 . VAL G 3 149 ? -31.057 22.822 -19.593 1.00 55.69 ? 150 VAL G CG1 1 ATOM 9659 C CG2 . VAL G 3 149 ? -32.237 22.915 -17.392 1.00 54.24 ? 150 VAL G CG2 1 ATOM 9660 N N . SER G 3 150 ? -29.534 19.668 -19.619 1.00 66.95 ? 151 SER G N 1 ATOM 9661 C CA . SER G 3 150 ? -28.342 19.109 -20.254 1.00 70.39 ? 151 SER G CA 1 ATOM 9662 C C . SER G 3 150 ? -27.795 19.995 -21.369 1.00 68.53 ? 151 SER G C 1 ATOM 9663 O O . SER G 3 150 ? -28.525 20.798 -21.956 1.00 65.58 ? 151 SER G O 1 ATOM 9664 C CB . SER G 3 150 ? -28.624 17.704 -20.788 1.00 76.12 ? 151 SER G CB 1 ATOM 9665 O OG . SER G 3 150 ? -28.862 16.795 -19.730 1.00 78.99 ? 151 SER G OG 1 ATOM 9666 N N . GLN G 3 151 ? -26.504 19.823 -21.658 1.00 70.97 ? 152 GLN G N 1 ATOM 9667 C CA . GLN G 3 151 ? -25.801 20.593 -22.686 1.00 70.17 ? 152 GLN G CA 1 ATOM 9668 C C . GLN G 3 151 ? -26.420 20.430 -24.075 1.00 71.68 ? 152 GLN G C 1 ATOM 9669 O O . GLN G 3 151 ? -27.162 19.477 -24.335 1.00 74.65 ? 152 GLN G O 1 ATOM 9670 C CB . GLN G 3 151 ? -24.314 20.223 -22.715 1.00 73.65 ? 152 GLN G CB 1 ATOM 9671 N N . SER G 3 152 ? -26.093 21.372 -24.954 1.00 70.21 ? 153 SER G N 1 ATOM 9672 C CA . SER G 3 152 ? -26.701 21.490 -26.280 1.00 71.42 ? 153 SER G CA 1 ATOM 9673 C C . SER G 3 152 ? -26.737 20.193 -27.094 1.00 77.29 ? 153 SER G C 1 ATOM 9674 O O . SER G 3 152 ? -25.775 19.421 -27.104 1.00 81.12 ? 153 SER G O 1 ATOM 9675 C CB . SER G 3 152 ? -25.996 22.587 -27.076 1.00 70.12 ? 153 SER G CB 1 ATOM 9676 O OG . SER G 3 152 ? -26.598 22.754 -28.343 1.00 71.80 ? 153 SER G OG 1 ATOM 9677 N N . LYS G 3 153 ? -27.861 19.982 -27.778 1.00 78.50 ? 154 LYS G N 1 ATOM 9678 C CA . LYS G 3 153 ? -28.078 18.803 -28.619 1.00 84.60 ? 154 LYS G CA 1 ATOM 9679 C C . LYS G 3 153 ? -27.298 18.862 -29.937 1.00 87.88 ? 154 LYS G C 1 ATOM 9680 O O . LYS G 3 153 ? -26.948 17.826 -30.504 1.00 93.66 ? 154 LYS G O 1 ATOM 9681 C CB . LYS G 3 153 ? -29.573 18.634 -28.904 1.00 85.29 ? 154 LYS G CB 1 ATOM 9682 N N . ASP G 3 154 ? -27.039 20.080 -30.411 1.00 84.61 ? 155 ASP G N 1 ATOM 9683 C CA . ASP G 3 154 ? -26.343 20.318 -31.674 1.00 87.47 ? 155 ASP G CA 1 ATOM 9684 C C . ASP G 3 154 ? -25.280 21.412 -31.506 1.00 84.14 ? 155 ASP G C 1 ATOM 9685 O O . ASP G 3 154 ? -25.374 22.249 -30.604 1.00 79.00 ? 155 ASP G O 1 ATOM 9686 C CB . ASP G 3 154 ? -27.359 20.709 -32.759 1.00 88.49 ? 155 ASP G CB 1 ATOM 9687 C CG . ASP G 3 154 ? -26.720 20.929 -34.127 1.00 92.53 ? 155 ASP G CG 1 ATOM 9688 O OD1 . ASP G 3 154 ? -25.925 20.074 -34.574 1.00 97.58 ? 155 ASP G OD1 1 ATOM 9689 O OD2 . ASP G 3 154 ? -27.027 21.961 -34.761 1.00 91.36 ? 155 ASP G OD2 1 ATOM 9690 N N . SER G 3 155 ? -24.272 21.392 -32.377 1.00 87.54 ? 156 SER G N 1 ATOM 9691 C CA . SER G 3 155 ? -23.190 22.382 -32.361 1.00 85.62 ? 156 SER G CA 1 ATOM 9692 C C . SER G 3 155 ? -23.688 23.813 -32.581 1.00 81.20 ? 156 SER G C 1 ATOM 9693 O O . SER G 3 155 ? -23.158 24.758 -31.989 1.00 77.84 ? 156 SER G O 1 ATOM 9694 C CB . SER G 3 155 ? -22.137 22.036 -33.416 1.00 91.23 ? 156 SER G CB 1 ATOM 9695 O OG . SER G 3 155 ? -21.638 20.724 -33.229 1.00 96.10 ? 156 SER G OG 1 ATOM 9696 N N . ASP G 3 156 ? -24.708 23.957 -33.426 1.00 81.82 ? 157 ASP G N 1 ATOM 9697 C CA . ASP G 3 156 ? -25.256 25.264 -33.792 1.00 78.86 ? 157 ASP G CA 1 ATOM 9698 C C . ASP G 3 156 ? -26.344 25.746 -32.819 1.00 73.90 ? 157 ASP G C 1 ATOM 9699 O O . ASP G 3 156 ? -26.883 26.846 -32.973 1.00 71.64 ? 157 ASP G O 1 ATOM 9700 C CB . ASP G 3 156 ? -25.790 25.233 -35.232 1.00 83.05 ? 157 ASP G CB 1 ATOM 9701 C CG . ASP G 3 156 ? -24.740 24.782 -36.244 1.00 88.54 ? 157 ASP G CG 1 ATOM 9702 O OD1 . ASP G 3 156 ? -25.053 23.898 -37.070 1.00 93.42 ? 157 ASP G OD1 1 ATOM 9703 O OD2 . ASP G 3 156 ? -23.604 25.301 -36.217 1.00 88.43 ? 157 ASP G OD2 1 ATOM 9704 N N . VAL G 3 157 ? -26.658 24.921 -31.823 1.00 72.69 ? 158 VAL G N 1 ATOM 9705 C CA . VAL G 3 157 ? -27.618 25.279 -30.779 1.00 68.33 ? 158 VAL G CA 1 ATOM 9706 C C . VAL G 3 157 ? -26.863 25.600 -29.487 1.00 64.87 ? 158 VAL G C 1 ATOM 9707 O O . VAL G 3 157 ? -25.821 25.003 -29.210 1.00 66.56 ? 158 VAL G O 1 ATOM 9708 C CB . VAL G 3 157 ? -28.663 24.151 -30.559 1.00 70.12 ? 158 VAL G CB 1 ATOM 9709 C CG1 . VAL G 3 157 ? -29.592 24.465 -29.392 1.00 66.10 ? 158 VAL G CG1 1 ATOM 9710 C CG2 . VAL G 3 157 ? -29.477 23.928 -31.827 1.00 74.02 ? 158 VAL G CG2 1 ATOM 9711 N N . TYR G 3 158 ? -27.379 26.552 -28.714 1.00 60.60 ? 159 TYR G N 1 ATOM 9712 C CA . TYR G 3 158 ? -26.727 26.976 -27.477 1.00 57.60 ? 159 TYR G CA 1 ATOM 9713 C C . TYR G 3 158 ? -27.679 26.917 -26.290 1.00 54.82 ? 159 TYR G C 1 ATOM 9714 O O . TYR G 3 158 ? -28.777 27.468 -26.338 1.00 53.25 ? 159 TYR G O 1 ATOM 9715 C CB . TYR G 3 158 ? -26.159 28.386 -27.626 1.00 55.79 ? 159 TYR G CB 1 ATOM 9716 C CG . TYR G 3 158 ? -25.196 28.539 -28.778 1.00 58.79 ? 159 TYR G CG 1 ATOM 9717 C CD1 . TYR G 3 158 ? -23.840 28.262 -28.618 1.00 60.72 ? 159 TYR G CD1 1 ATOM 9718 C CD2 . TYR G 3 158 ? -25.638 28.960 -30.030 1.00 60.56 ? 159 TYR G CD2 1 ATOM 9719 C CE1 . TYR G 3 158 ? -22.947 28.400 -29.677 1.00 63.95 ? 159 TYR G CE1 1 ATOM 9720 C CE2 . TYR G 3 158 ? -24.754 29.101 -31.095 1.00 63.85 ? 159 TYR G CE2 1 ATOM 9721 C CZ . TYR G 3 158 ? -23.412 28.820 -30.910 1.00 65.32 ? 159 TYR G CZ 1 ATOM 9722 O OH . TYR G 3 158 ? -22.535 28.959 -31.957 1.00 68.89 ? 159 TYR G OH 1 ATOM 9723 N N . ILE G 3 159 ? -27.251 26.230 -25.235 1.00 54.81 ? 160 ILE G N 1 ATOM 9724 C CA . ILE G 3 159 ? -28.046 26.075 -24.021 1.00 52.81 ? 160 ILE G CA 1 ATOM 9725 C C . ILE G 3 159 ? -27.177 26.369 -22.804 1.00 51.52 ? 160 ILE G C 1 ATOM 9726 O O . ILE G 3 159 ? -26.154 25.717 -22.587 1.00 53.85 ? 160 ILE G O 1 ATOM 9727 C CB . ILE G 3 159 ? -28.665 24.654 -23.903 1.00 55.48 ? 160 ILE G CB 1 ATOM 9728 C CG1 . ILE G 3 159 ? -29.556 24.345 -25.113 1.00 57.53 ? 160 ILE G CG1 1 ATOM 9729 C CG2 . ILE G 3 159 ? -29.462 24.521 -22.607 1.00 53.72 ? 160 ILE G CG2 1 ATOM 9730 C CD1 . ILE G 3 159 ? -30.017 22.905 -25.210 1.00 61.35 ? 160 ILE G CD1 1 ATOM 9731 N N . THR G 3 160 ? -27.592 27.361 -22.022 1.00 48.58 ? 161 THR G N 1 ATOM 9732 C CA . THR G 3 160 ? -26.873 27.765 -20.816 1.00 47.68 ? 161 THR G CA 1 ATOM 9733 C C . THR G 3 160 ? -27.218 26.816 -19.678 1.00 48.60 ? 161 THR G C 1 ATOM 9734 O O . THR G 3 160 ? -28.197 26.073 -19.762 1.00 49.27 ? 161 THR G O 1 ATOM 9735 C CB . THR G 3 160 ? -27.227 29.213 -20.393 1.00 44.74 ? 161 THR G CB 1 ATOM 9736 O OG1 . THR G 3 160 ? -28.603 29.284 -19.993 1.00 42.96 ? 161 THR G OG1 1 ATOM 9737 C CG2 . THR G 3 160 ? -26.978 30.189 -21.537 1.00 44.42 ? 161 THR G CG2 1 ATOM 9738 N N . ASP G 3 161 ? -26.413 26.836 -18.618 1.00 49.34 ? 162 ASP G N 1 ATOM 9739 C CA . ASP G 3 161 ? -26.732 26.071 -17.422 1.00 50.63 ? 162 ASP G CA 1 ATOM 9740 C C . ASP G 3 161 ? -27.774 26.823 -16.604 1.00 48.02 ? 162 ASP G C 1 ATOM 9741 O O . ASP G 3 161 ? -27.833 28.057 -16.638 1.00 45.91 ? 162 ASP G O 1 ATOM 9742 C CB . ASP G 3 161 ? -25.481 25.801 -16.583 1.00 53.08 ? 162 ASP G CB 1 ATOM 9743 C CG . ASP G 3 161 ? -25.601 24.529 -15.740 1.00 56.63 ? 162 ASP G CG 1 ATOM 9744 O OD1 . ASP G 3 161 ? -26.644 24.329 -15.074 1.00 56.31 ? 162 ASP G OD1 1 ATOM 9745 O OD2 . ASP G 3 161 ? -24.643 23.726 -15.744 1.00 60.95 ? 162 ASP G OD2 1 ATOM 9746 N N . LYS G 3 162 ? -28.601 26.073 -15.880 1.00 48.95 ? 163 LYS G N 1 ATOM 9747 C CA . LYS G 3 162 ? -29.622 26.670 -15.025 1.00 47.16 ? 163 LYS G CA 1 ATOM 9748 C C . LYS G 3 162 ? -28.992 27.538 -13.941 1.00 46.51 ? 163 LYS G C 1 ATOM 9749 O O . LYS G 3 162 ? -27.964 27.180 -13.353 1.00 48.41 ? 163 LYS G O 1 ATOM 9750 C CB . LYS G 3 162 ? -30.532 25.600 -14.400 1.00 48.94 ? 163 LYS G CB 1 ATOM 9751 C CG . LYS G 3 162 ? -29.845 24.636 -13.441 1.00 51.98 ? 163 LYS G CG 1 ATOM 9752 C CD . LYS G 3 162 ? -30.843 24.045 -12.462 1.00 53.64 ? 163 LYS G CD 1 ATOM 9753 C CE . LYS G 3 162 ? -30.171 23.080 -11.498 1.00 57.64 ? 163 LYS G CE 1 ATOM 9754 N NZ . LYS G 3 162 ? -31.149 22.518 -10.523 1.00 60.14 ? 163 LYS G NZ 1 ATOM 9755 N N . CYS G 3 163 ? -29.599 28.694 -13.704 1.00 44.32 ? 164 CYS G N 1 ATOM 9756 C CA . CYS G 3 163 ? -29.195 29.545 -12.598 1.00 44.39 ? 164 CYS G CA 1 ATOM 9757 C C . CYS G 3 163 ? -30.441 30.152 -11.960 1.00 42.87 ? 164 CYS G C 1 ATOM 9758 O O . CYS G 3 163 ? -31.497 30.214 -12.595 1.00 41.94 ? 164 CYS G O 1 ATOM 9759 C CB . CYS G 3 163 ? -28.191 30.608 -13.057 1.00 44.00 ? 164 CYS G CB 1 ATOM 9760 S SG . CYS G 3 163 ? -28.903 32.136 -13.685 1.00 43.68 ? 164 CYS G SG 1 ATOM 9761 N N . VAL G 3 164 ? -30.317 30.581 -10.707 1.00 43.22 ? 165 VAL G N 1 ATOM 9762 C CA . VAL G 3 164 ? -31.476 30.990 -9.919 1.00 42.70 ? 165 VAL G CA 1 ATOM 9763 C C . VAL G 3 164 ? -31.465 32.478 -9.537 1.00 42.02 ? 165 VAL G C 1 ATOM 9764 O O . VAL G 3 164 ? -30.475 32.994 -9.011 1.00 42.99 ? 165 VAL G O 1 ATOM 9765 C CB . VAL G 3 164 ? -31.668 30.059 -8.675 1.00 44.97 ? 165 VAL G CB 1 ATOM 9766 C CG1 . VAL G 3 164 ? -30.414 30.025 -7.794 1.00 46.99 ? 165 VAL G CG1 1 ATOM 9767 C CG2 . VAL G 3 164 ? -32.907 30.446 -7.871 1.00 45.16 ? 165 VAL G CG2 1 ATOM 9768 N N . LEU G 3 165 ? -32.575 33.156 -9.830 1.00 40.90 ? 166 LEU G N 1 ATOM 9769 C CA . LEU G 3 165 ? -32.768 34.559 -9.462 1.00 40.93 ? 166 LEU G CA 1 ATOM 9770 C C . LEU G 3 165 ? -33.660 34.683 -8.228 1.00 42.33 ? 166 LEU G C 1 ATOM 9771 O O . LEU G 3 165 ? -34.437 33.778 -7.923 1.00 42.82 ? 166 LEU G O 1 ATOM 9772 C CB . LEU G 3 165 ? -33.342 35.366 -10.639 1.00 39.74 ? 166 LEU G CB 1 ATOM 9773 C CG . LEU G 3 165 ? -34.701 35.025 -11.270 1.00 39.34 ? 166 LEU G CG 1 ATOM 9774 C CD1 . LEU G 3 165 ? -35.863 35.617 -10.483 1.00 40.60 ? 166 LEU G CD1 1 ATOM 9775 C CD2 . LEU G 3 165 ? -34.749 35.527 -12.699 1.00 38.56 ? 166 LEU G CD2 1 ATOM 9776 N N . ASP G 3 166 ? -33.547 35.811 -7.531 1.00 43.50 ? 167 ASP G N 1 ATOM 9777 C CA . ASP G 3 166 ? -34.281 36.037 -6.290 1.00 45.41 ? 167 ASP G CA 1 ATOM 9778 C C . ASP G 3 166 ? -34.952 37.407 -6.318 1.00 46.22 ? 167 ASP G C 1 ATOM 9779 O O . ASP G 3 166 ? -34.284 38.441 -6.246 1.00 47.17 ? 167 ASP G O 1 ATOM 9780 C CB . ASP G 3 166 ? -33.336 35.918 -5.085 1.00 47.56 ? 167 ASP G CB 1 ATOM 9781 C CG . ASP G 3 166 ? -34.070 35.794 -3.751 1.00 50.34 ? 167 ASP G CG 1 ATOM 9782 O OD1 . ASP G 3 166 ? -35.296 36.037 -3.680 1.00 50.86 ? 167 ASP G OD1 1 ATOM 9783 O OD2 . ASP G 3 166 ? -33.402 35.451 -2.753 1.00 52.99 ? 167 ASP G OD2 1 ATOM 9784 N N . MET G 3 167 ? -36.277 37.403 -6.435 1.00 46.39 ? 168 MET G N 1 ATOM 9785 C CA . MET G 3 167 ? -37.059 38.630 -6.395 1.00 47.92 ? 168 MET G CA 1 ATOM 9786 C C . MET G 3 167 ? -37.354 38.956 -4.934 1.00 50.96 ? 168 MET G C 1 ATOM 9787 O O . MET G 3 167 ? -38.425 38.637 -4.408 1.00 52.32 ? 168 MET G O 1 ATOM 9788 C CB . MET G 3 167 ? -38.337 38.480 -7.225 1.00 47.61 ? 168 MET G CB 1 ATOM 9789 C CG . MET G 3 167 ? -38.081 38.258 -8.713 1.00 45.07 ? 168 MET G CG 1 ATOM 9790 S SD . MET G 3 167 ? -39.562 37.978 -9.709 1.00 46.04 ? 168 MET G SD 1 ATOM 9791 C CE . MET G 3 167 ? -40.394 39.567 -9.597 1.00 48.39 ? 168 MET G CE 1 ATOM 9792 N N . ARG G 3 168 ? -36.380 39.599 -4.293 1.00 52.51 ? 169 ARG G N 1 ATOM 9793 C CA . ARG G 3 168 ? -36.339 39.760 -2.834 1.00 55.93 ? 169 ARG G CA 1 ATOM 9794 C C . ARG G 3 168 ? -37.606 40.339 -2.203 1.00 58.87 ? 169 ARG G C 1 ATOM 9795 O O . ARG G 3 168 ? -38.057 39.852 -1.168 1.00 60.86 ? 169 ARG G O 1 ATOM 9796 C CB . ARG G 3 168 ? -35.107 40.573 -2.415 1.00 57.79 ? 169 ARG G CB 1 ATOM 9797 C CG . ARG G 3 168 ? -33.794 39.986 -2.902 1.00 56.01 ? 169 ARG G CG 1 ATOM 9798 C CD . ARG G 3 168 ? -32.593 40.754 -2.384 1.00 59.54 ? 169 ARG G CD 1 ATOM 9799 N NE . ARG G 3 168 ? -31.429 40.576 -3.255 1.00 59.02 ? 169 ARG G NE 1 ATOM 9800 C CZ . ARG G 3 168 ? -30.574 39.554 -3.198 1.00 58.77 ? 169 ARG G CZ 1 ATOM 9801 N NH1 . ARG G 3 168 ? -30.726 38.581 -2.302 1.00 59.48 ? 169 ARG G NH1 1 ATOM 9802 N NH2 . ARG G 3 168 ? -29.555 39.506 -4.046 1.00 57.93 ? 169 ARG G NH2 1 ATOM 9803 N N . SER G 3 169 ? -38.174 41.365 -2.835 1.00 59.76 ? 170 SER G N 1 ATOM 9804 C CA . SER G 3 169 ? -39.374 42.043 -2.330 1.00 63.34 ? 170 SER G CA 1 ATOM 9805 C C . SER G 3 169 ? -40.601 41.126 -2.232 1.00 63.41 ? 170 SER G C 1 ATOM 9806 O O . SER G 3 169 ? -41.474 41.335 -1.386 1.00 66.81 ? 170 SER G O 1 ATOM 9807 C CB . SER G 3 169 ? -39.697 43.264 -3.195 1.00 64.39 ? 170 SER G CB 1 ATOM 9808 N N . MET G 3 170 ? -40.653 40.116 -3.097 1.00 60.22 ? 171 MET G N 1 ATOM 9809 C CA . MET G 3 170 ? -41.760 39.162 -3.137 1.00 60.60 ? 171 MET G CA 1 ATOM 9810 C C . MET G 3 170 ? -41.440 37.837 -2.447 1.00 59.80 ? 171 MET G C 1 ATOM 9811 O O . MET G 3 170 ? -42.301 36.955 -2.365 1.00 60.51 ? 171 MET G O 1 ATOM 9812 C CB . MET G 3 170 ? -42.158 38.888 -4.588 1.00 58.58 ? 171 MET G CB 1 ATOM 9813 C CG . MET G 3 170 ? -43.185 39.847 -5.154 1.00 61.97 ? 171 MET G CG 1 ATOM 9814 S SD . MET G 3 170 ? -43.539 39.471 -6.885 1.00 62.46 ? 171 MET G SD 1 ATOM 9815 C CE . MET G 3 170 ? -45.210 40.116 -7.032 1.00 66.55 ? 171 MET G CE 1 ATOM 9816 N N . ASP G 3 171 ? -40.208 37.706 -1.952 1.00 58.96 ? 172 ASP G N 1 ATOM 9817 C CA . ASP G 3 171 ? -39.687 36.440 -1.421 1.00 58.46 ? 172 ASP G CA 1 ATOM 9818 C C . ASP G 3 171 ? -39.982 35.305 -2.403 1.00 55.85 ? 172 ASP G C 1 ATOM 9819 O O . ASP G 3 171 ? -40.730 34.373 -2.097 1.00 57.16 ? 172 ASP G O 1 ATOM 9820 C CB . ASP G 3 171 ? -40.250 36.141 -0.019 1.00 62.34 ? 172 ASP G CB 1 ATOM 9821 C CG . ASP G 3 171 ? -39.464 35.057 0.722 1.00 63.44 ? 172 ASP G CG 1 ATOM 9822 O OD1 . ASP G 3 171 ? -38.628 34.365 0.098 1.00 61.63 ? 172 ASP G OD1 1 ATOM 9823 O OD2 . ASP G 3 171 ? -39.686 34.893 1.942 1.00 67.20 ? 172 ASP G OD2 1 ATOM 9824 N N . PHE G 3 172 ? -39.394 35.407 -3.591 1.00 52.59 ? 173 PHE G N 1 ATOM 9825 C CA . PHE G 3 172 ? -39.651 34.461 -4.666 1.00 50.47 ? 173 PHE G CA 1 ATOM 9826 C C . PHE G 3 172 ? -38.381 34.117 -5.444 1.00 47.81 ? 173 PHE G C 1 ATOM 9827 O O . PHE G 3 172 ? -37.657 35.002 -5.906 1.00 46.51 ? 173 PHE G O 1 ATOM 9828 C CB . PHE G 3 172 ? -40.726 35.010 -5.607 1.00 50.38 ? 173 PHE G CB 1 ATOM 9829 C CG . PHE G 3 172 ? -41.080 34.080 -6.727 1.00 49.35 ? 173 PHE G CG 1 ATOM 9830 C CD1 . PHE G 3 172 ? -41.976 33.033 -6.521 1.00 51.09 ? 173 PHE G CD1 1 ATOM 9831 C CD2 . PHE G 3 172 ? -40.514 34.244 -7.989 1.00 47.15 ? 173 PHE G CD2 1 ATOM 9832 C CE1 . PHE G 3 172 ? -42.305 32.162 -7.554 1.00 50.79 ? 173 PHE G CE1 1 ATOM 9833 C CE2 . PHE G 3 172 ? -40.835 33.378 -9.030 1.00 46.70 ? 173 PHE G CE2 1 ATOM 9834 C CZ . PHE G 3 172 ? -41.734 32.336 -8.812 1.00 48.70 ? 173 PHE G CZ 1 ATOM 9835 N N . LYS G 3 173 ? -38.132 32.819 -5.587 1.00 47.43 ? 174 LYS G N 1 ATOM 9836 C CA . LYS G 3 173 ? -36.966 32.317 -6.305 1.00 45.66 ? 174 LYS G CA 1 ATOM 9837 C C . LYS G 3 173 ? -37.403 31.469 -7.492 1.00 44.72 ? 174 LYS G C 1 ATOM 9838 O O . LYS G 3 173 ? -38.411 30.764 -7.421 1.00 46.19 ? 174 LYS G O 1 ATOM 9839 C CB . LYS G 3 173 ? -36.073 31.494 -5.372 1.00 47.21 ? 174 LYS G CB 1 ATOM 9840 C CG . LYS G 3 173 ? -35.429 32.294 -4.243 1.00 48.65 ? 174 LYS G CG 1 ATOM 9841 C CD . LYS G 3 173 ? -34.723 31.378 -3.253 1.00 51.18 ? 174 LYS G CD 1 ATOM 9842 C CE . LYS G 3 173 ? -33.811 32.152 -2.307 1.00 52.83 ? 174 LYS G CE 1 ATOM 9843 N NZ . LYS G 3 173 ? -34.561 32.923 -1.278 1.00 54.50 ? 174 LYS G NZ 1 ATOM 9844 N N . SER G 3 174 ? -36.647 31.547 -8.585 1.00 42.88 ? 175 SER G N 1 ATOM 9845 C CA . SER G 3 174 ? -36.958 30.779 -9.789 1.00 42.39 ? 175 SER G CA 1 ATOM 9846 C C . SER G 3 174 ? -35.708 30.316 -10.520 1.00 41.53 ? 175 SER G C 1 ATOM 9847 O O . SER G 3 174 ? -34.763 31.086 -10.708 1.00 40.41 ? 175 SER G O 1 ATOM 9848 C CB . SER G 3 174 ? -37.857 31.579 -10.739 1.00 41.82 ? 175 SER G CB 1 ATOM 9849 O OG . SER G 3 174 ? -37.133 32.573 -11.445 1.00 39.98 ? 175 SER G OG 1 ATOM 9850 N N . ASN G 3 175 ? -35.716 29.046 -10.916 1.00 42.70 ? 176 ASN G N 1 ATOM 9851 C CA . ASN G 3 175 ? -34.707 28.492 -11.808 1.00 42.47 ? 176 ASN G CA 1 ATOM 9852 C C . ASN G 3 175 ? -34.985 28.927 -13.244 1.00 41.35 ? 176 ASN G C 1 ATOM 9853 O O . ASN G 3 175 ? -36.129 29.233 -13.594 1.00 41.37 ? 176 ASN G O 1 ATOM 9854 C CB . ASN G 3 175 ? -34.712 26.964 -11.721 1.00 44.90 ? 176 ASN G CB 1 ATOM 9855 C CG . ASN G 3 175 ? -34.021 26.438 -10.472 1.00 46.65 ? 176 ASN G CG 1 ATOM 9856 O OD1 . ASN G 3 175 ? -33.084 27.049 -9.959 1.00 46.49 ? 176 ASN G OD1 1 ATOM 9857 N ND2 . ASN G 3 175 ? -34.470 25.285 -9.992 1.00 49.21 ? 176 ASN G ND2 1 ATOM 9858 N N . SER G 3 176 ? -33.942 28.968 -14.070 1.00 40.88 ? 177 SER G N 1 ATOM 9859 C CA . SER G 3 176 ? -34.103 29.309 -15.484 1.00 40.59 ? 177 SER G CA 1 ATOM 9860 C C . SER G 3 176 ? -32.942 28.830 -16.339 1.00 41.05 ? 177 SER G C 1 ATOM 9861 O O . SER G 3 176 ? -31.789 28.900 -15.925 1.00 41.25 ? 177 SER G O 1 ATOM 9862 C CB . SER G 3 176 ? -34.271 30.820 -15.663 1.00 39.10 ? 177 SER G CB 1 ATOM 9863 O OG . SER G 3 176 ? -33.092 31.497 -15.278 1.00 38.73 ? 177 SER G OG 1 ATOM 9864 N N . ALA G 3 177 ? -33.263 28.347 -17.535 1.00 42.04 ? 178 ALA G N 1 ATOM 9865 C CA . ALA G 3 177 ? -32.262 28.042 -18.551 1.00 42.83 ? 178 ALA G CA 1 ATOM 9866 C C . ALA G 3 177 ? -32.709 28.646 -19.872 1.00 42.82 ? 178 ALA G C 1 ATOM 9867 O O . ALA G 3 177 ? -33.905 28.685 -20.169 1.00 43.49 ? 178 ALA G O 1 ATOM 9868 C CB . ALA G 3 177 ? -32.066 26.543 -18.686 1.00 45.57 ? 178 ALA G CB 1 ATOM 9869 N N . VAL G 3 178 ? -31.747 29.127 -20.653 1.00 42.68 ? 179 VAL G N 1 ATOM 9870 C CA . VAL G 3 178 ? -32.035 29.801 -21.917 1.00 43.02 ? 179 VAL G CA 1 ATOM 9871 C C . VAL G 3 178 ? -31.429 29.018 -23.080 1.00 45.41 ? 179 VAL G C 1 ATOM 9872 O O . VAL G 3 178 ? -30.301 28.530 -22.988 1.00 46.10 ? 179 VAL G O 1 ATOM 9873 C CB . VAL G 3 178 ? -31.504 31.266 -21.926 1.00 41.50 ? 179 VAL G CB 1 ATOM 9874 C CG1 . VAL G 3 178 ? -31.991 32.021 -23.152 1.00 42.25 ? 179 VAL G CG1 1 ATOM 9875 C CG2 . VAL G 3 178 ? -31.927 32.008 -20.668 1.00 39.68 ? 179 VAL G CG2 1 ATOM 9876 N N . ALA G 3 179 ? -32.194 28.892 -24.161 1.00 47.21 ? 180 ALA G N 1 ATOM 9877 C CA . ALA G 3 179 ? -31.715 28.254 -25.383 1.00 50.10 ? 180 ALA G CA 1 ATOM 9878 C C . ALA G 3 179 ? -31.972 29.131 -26.602 1.00 51.17 ? 180 ALA G C 1 ATOM 9879 O O . ALA G 3 179 ? -33.015 29.783 -26.699 1.00 51.00 ? 180 ALA G O 1 ATOM 9880 C CB . ALA G 3 179 ? -32.361 26.894 -25.566 1.00 52.88 ? 180 ALA G CB 1 ATOM 9881 N N . TRP G 3 180 ? -31.008 29.145 -27.521 1.00 52.83 ? 181 TRP G N 1 ATOM 9882 C CA . TRP G 3 180 ? -31.148 29.847 -28.795 1.00 54.80 ? 181 TRP G CA 1 ATOM 9883 C C . TRP G 3 180 ? -30.324 29.173 -29.888 1.00 58.33 ? 181 TRP G C 1 ATOM 9884 O O . TRP G 3 180 ? -29.391 28.418 -29.602 1.00 58.71 ? 181 TRP G O 1 ATOM 9885 C CB . TRP G 3 180 ? -30.756 31.324 -28.662 1.00 52.88 ? 181 TRP G CB 1 ATOM 9886 C CG . TRP G 3 180 ? -29.283 31.566 -28.544 1.00 52.19 ? 181 TRP G CG 1 ATOM 9887 C CD1 . TRP G 3 180 ? -28.421 31.881 -29.555 1.00 54.30 ? 181 TRP G CD1 1 ATOM 9888 C CD2 . TRP G 3 180 ? -28.498 31.518 -27.348 1.00 49.82 ? 181 TRP G CD2 1 ATOM 9889 N NE1 . TRP G 3 180 ? -27.145 32.029 -29.064 1.00 53.70 ? 181 TRP G NE1 1 ATOM 9890 C CE2 . TRP G 3 180 ? -27.164 31.812 -27.711 1.00 51.00 ? 181 TRP G CE2 1 ATOM 9891 C CE3 . TRP G 3 180 ? -28.790 31.253 -26.003 1.00 47.42 ? 181 TRP G CE3 1 ATOM 9892 C CZ2 . TRP G 3 180 ? -26.122 31.849 -26.779 1.00 50.02 ? 181 TRP G CZ2 1 ATOM 9893 C CZ3 . TRP G 3 180 ? -27.753 31.289 -25.074 1.00 46.29 ? 181 TRP G CZ3 1 ATOM 9894 C CH2 . TRP G 3 180 ? -26.436 31.585 -25.469 1.00 47.76 ? 181 TRP G CH2 1 ATOM 9895 N N . SER G 3 181 ? -30.684 29.459 -31.136 1.00 61.45 ? 182 SER G N 1 ATOM 9896 C CA . SER G 3 181 ? -29.987 28.930 -32.305 1.00 65.52 ? 182 SER G CA 1 ATOM 9897 C C . SER G 3 181 ? -30.130 29.882 -33.492 1.00 68.03 ? 182 SER G C 1 ATOM 9898 O O . SER G 3 181 ? -30.963 30.795 -33.473 1.00 67.23 ? 182 SER G O 1 ATOM 9899 C CB . SER G 3 181 ? -30.531 27.543 -32.670 1.00 68.88 ? 182 SER G CB 1 ATOM 9900 O OG . SER G 3 181 ? -29.807 26.968 -33.744 1.00 73.02 ? 182 SER G OG 1 ATOM 9901 N N . ASN G 3 182 ? -29.302 29.673 -34.513 1.00 71.63 ? 183 ASN G N 1 ATOM 9902 C CA . ASN G 3 182 ? -29.449 30.370 -35.790 1.00 75.23 ? 183 ASN G CA 1 ATOM 9903 C C . ASN G 3 182 ? -30.077 29.453 -36.836 1.00 80.33 ? 183 ASN G C 1 ATOM 9904 O O . ASN G 3 182 ? -30.666 29.923 -37.811 1.00 83.69 ? 183 ASN G O 1 ATOM 9905 C CB . ASN G 3 182 ? -28.101 30.901 -36.284 1.00 76.39 ? 183 ASN G CB 1 ATOM 9906 N N . LYS G 3 183 ? -29.957 28.146 -36.610 1.00 81.55 ? 184 LYS G N 1 ATOM 9907 C CA . LYS G 3 183 ? -30.472 27.131 -37.529 1.00 87.18 ? 184 LYS G CA 1 ATOM 9908 C C . LYS G 3 183 ? -31.996 27.044 -37.510 1.00 88.18 ? 184 LYS G C 1 ATOM 9909 O O . LYS G 3 183 ? -32.626 27.214 -36.462 1.00 84.33 ? 184 LYS G O 1 ATOM 9910 C CB . LYS G 3 183 ? -29.868 25.759 -37.205 1.00 88.54 ? 184 LYS G CB 1 ATOM 9911 N N . SER G 3 184 ? -32.572 26.773 -38.680 1.00 94.01 ? 185 SER G N 1 ATOM 9912 C CA . SER G 3 184 ? -34.012 26.556 -38.830 1.00 96.62 ? 185 SER G CA 1 ATOM 9913 C C . SER G 3 184 ? -34.460 25.263 -38.137 1.00 97.04 ? 185 SER G C 1 ATOM 9914 O O . SER G 3 184 ? -33.643 24.562 -37.530 1.00 95.33 ? 185 SER G O 1 ATOM 9915 C CB . SER G 3 184 ? -34.392 26.529 -40.316 1.00 103.70 ? 185 SER G CB 1 ATOM 9916 N N . ASP G 3 185 ? -35.757 24.959 -38.233 1.00 99.95 ? 186 ASP G N 1 ATOM 9917 C CA . ASP G 3 185 ? -36.372 23.799 -37.569 1.00 100.97 ? 186 ASP G CA 1 ATOM 9918 C C . ASP G 3 185 ? -36.115 23.797 -36.055 1.00 94.50 ? 186 ASP G C 1 ATOM 9919 O O . ASP G 3 185 ? -35.964 22.740 -35.433 1.00 94.82 ? 186 ASP G O 1 ATOM 9920 C CB . ASP G 3 185 ? -35.918 22.481 -38.217 1.00 106.63 ? 186 ASP G CB 1 ATOM 9921 N N . PHE G 3 186 ? -36.073 24.998 -35.479 1.00 89.24 ? 187 PHE G N 1 ATOM 9922 C CA . PHE G 3 186 ? -35.804 25.185 -34.059 1.00 83.25 ? 187 PHE G CA 1 ATOM 9923 C C . PHE G 3 186 ? -36.960 25.916 -33.370 1.00 81.04 ? 187 PHE G C 1 ATOM 9924 O O . PHE G 3 186 ? -37.051 27.149 -33.409 1.00 78.96 ? 187 PHE G O 1 ATOM 9925 C CB . PHE G 3 186 ? -34.478 25.934 -33.858 1.00 79.25 ? 187 PHE G CB 1 ATOM 9926 C CG . PHE G 3 186 ? -34.129 26.188 -32.415 1.00 73.41 ? 187 PHE G CG 1 ATOM 9927 C CD1 . PHE G 3 186 ? -34.361 27.433 -31.839 1.00 69.14 ? 187 PHE G CD1 1 ATOM 9928 C CD2 . PHE G 3 186 ? -33.567 25.183 -31.634 1.00 72.48 ? 187 PHE G CD2 1 ATOM 9929 C CE1 . PHE G 3 186 ? -34.044 27.675 -30.508 1.00 64.53 ? 187 PHE G CE1 1 ATOM 9930 C CE2 . PHE G 3 186 ? -33.245 25.415 -30.302 1.00 67.95 ? 187 PHE G CE2 1 ATOM 9931 C CZ . PHE G 3 186 ? -33.484 26.666 -29.738 1.00 63.94 ? 187 PHE G CZ 1 ATOM 9932 N N . ALA G 3 187 ? -37.843 25.139 -32.751 1.00 82.16 ? 188 ALA G N 1 ATOM 9933 C CA . ALA G 3 187 ? -38.952 25.680 -31.973 1.00 80.50 ? 188 ALA G CA 1 ATOM 9934 C C . ALA G 3 187 ? -38.691 25.460 -30.488 1.00 75.92 ? 188 ALA G C 1 ATOM 9935 O O . ALA G 3 187 ? -37.902 24.589 -30.114 1.00 75.39 ? 188 ALA G O 1 ATOM 9936 C CB . ALA G 3 187 ? -40.265 25.029 -32.390 1.00 86.03 ? 188 ALA G CB 1 ATOM 9937 N N . CYS G 3 188 ? -39.355 26.254 -29.649 1.00 73.18 ? 189 CYS G N 1 ATOM 9938 C CA . CYS G 3 188 ? -39.198 26.154 -28.200 1.00 69.32 ? 189 CYS G CA 1 ATOM 9939 C C . CYS G 3 188 ? -39.662 24.804 -27.656 1.00 71.67 ? 189 CYS G C 1 ATOM 9940 O O . CYS G 3 188 ? -39.096 24.288 -26.689 1.00 69.63 ? 189 CYS G O 1 ATOM 9941 C CB . CYS G 3 188 ? -39.900 27.318 -27.498 1.00 66.77 ? 189 CYS G CB 1 ATOM 9942 S SG . CYS G 3 188 ? -39.080 28.927 -27.740 1.00 64.15 ? 189 CYS G SG 1 ATOM 9943 N N . ALA G 3 189 ? -40.687 24.235 -28.283 1.00 76.65 ? 190 ALA G N 1 ATOM 9944 C CA . ALA G 3 189 ? -41.004 22.828 -28.088 1.00 80.48 ? 190 ALA G CA 1 ATOM 9945 C C . ALA G 3 189 ? -39.957 22.035 -28.860 1.00 82.58 ? 190 ALA G C 1 ATOM 9946 O O . ALA G 3 189 ? -39.675 22.346 -30.021 1.00 84.49 ? 190 ALA G O 1 ATOM 9947 C CB . ALA G 3 189 ? -42.403 22.514 -28.593 1.00 86.07 ? 190 ALA G CB 1 ATOM 9948 N N . ASN G 3 190 ? -39.374 21.030 -28.209 1.00 82.68 ? 191 ASN G N 1 ATOM 9949 C CA . ASN G 3 190 ? -38.251 20.258 -28.765 1.00 84.62 ? 191 ASN G CA 1 ATOM 9950 C C . ASN G 3 190 ? -36.912 21.015 -28.770 1.00 79.98 ? 191 ASN G C 1 ATOM 9951 O O . ASN G 3 190 ? -35.942 20.577 -29.392 1.00 81.84 ? 191 ASN G O 1 ATOM 9952 C CB . ASN G 3 190 ? -38.579 19.693 -30.159 1.00 91.02 ? 191 ASN G CB 1 ATOM 9953 N N . ALA G 3 191 ? -36.867 22.146 -28.071 1.00 74.49 ? 192 ALA G N 1 ATOM 9954 C CA . ALA G 3 191 ? -35.617 22.873 -27.868 1.00 70.36 ? 192 ALA G CA 1 ATOM 9955 C C . ALA G 3 191 ? -34.838 22.255 -26.714 1.00 68.77 ? 192 ALA G C 1 ATOM 9956 O O . ALA G 3 191 ? -33.610 22.159 -26.762 1.00 68.33 ? 192 ALA G O 1 ATOM 9957 C CB . ALA G 3 191 ? -35.885 24.346 -27.597 1.00 66.08 ? 192 ALA G CB 1 ATOM 9958 N N . PHE G 3 192 ? -35.564 21.834 -25.681 1.00 68.46 ? 193 PHE G N 1 ATOM 9959 C CA . PHE G 3 192 ? -34.955 21.236 -24.502 1.00 67.57 ? 193 PHE G CA 1 ATOM 9960 C C . PHE G 3 192 ? -35.077 19.713 -24.492 1.00 72.94 ? 193 PHE G C 1 ATOM 9961 O O . PHE G 3 192 ? -35.196 19.095 -23.432 1.00 73.61 ? 193 PHE G O 1 ATOM 9962 C CB . PHE G 3 192 ? -35.535 21.855 -23.227 1.00 63.90 ? 193 PHE G CB 1 ATOM 9963 C CG . PHE G 3 192 ? -35.138 23.290 -23.021 1.00 58.89 ? 193 PHE G CG 1 ATOM 9964 C CD1 . PHE G 3 192 ? -35.950 24.324 -23.477 1.00 57.38 ? 193 PHE G CD1 1 ATOM 9965 C CD2 . PHE G 3 192 ? -33.947 23.609 -22.380 1.00 55.97 ? 193 PHE G CD2 1 ATOM 9966 C CE1 . PHE G 3 192 ? -35.583 25.652 -23.297 1.00 53.33 ? 193 PHE G CE1 1 ATOM 9967 C CE2 . PHE G 3 192 ? -33.573 24.934 -22.192 1.00 52.25 ? 193 PHE G CE2 1 ATOM 9968 C CZ . PHE G 3 192 ? -34.393 25.958 -22.653 1.00 50.94 ? 193 PHE G CZ 1 ATOM 9969 N N . ASN G 3 193 ? -35.052 19.115 -25.681 1.00 77.38 ? 194 ASN G N 1 ATOM 9970 C CA . ASN G 3 193 ? -34.921 17.667 -25.814 1.00 83.27 ? 194 ASN G CA 1 ATOM 9971 C C . ASN G 3 193 ? -33.483 17.255 -25.520 1.00 83.64 ? 194 ASN G C 1 ATOM 9972 O O . ASN G 3 193 ? -32.575 18.092 -25.562 1.00 80.09 ? 194 ASN G O 1 ATOM 9973 C CB . ASN G 3 193 ? -35.350 17.203 -27.206 1.00 88.48 ? 194 ASN G CB 1 ATOM 9974 C CG . ASN G 3 193 ? -36.846 17.337 -27.433 1.00 89.93 ? 194 ASN G CG 1 ATOM 9975 O OD1 . ASN G 3 193 ? -37.577 17.843 -26.579 1.00 86.93 ? 194 ASN G OD1 1 ATOM 9976 N ND2 . ASN G 3 193 ? -37.307 16.887 -28.592 1.00 95.09 ? 194 ASN G ND2 1 ATOM 9977 N N . ASN G 3 194 ? -33.281 15.969 -25.233 1.00 88.68 ? 195 ASN G N 1 ATOM 9978 C CA . ASN G 3 194 ? -32.033 15.480 -24.634 1.00 89.64 ? 195 ASN G CA 1 ATOM 9979 C C . ASN G 3 194 ? -31.809 16.153 -23.275 1.00 84.43 ? 195 ASN G C 1 ATOM 9980 O O . ASN G 3 194 ? -30.704 16.593 -22.946 1.00 82.18 ? 195 ASN G O 1 ATOM 9981 C CB . ASN G 3 194 ? -30.832 15.669 -25.575 1.00 90.46 ? 195 ASN G CB 1 ATOM 9982 N N . SER G 3 195 ? -32.895 16.229 -22.507 1.00 83.09 ? 196 SER G N 1 ATOM 9983 C CA . SER G 3 195 ? -32.937 16.847 -21.186 1.00 78.80 ? 196 SER G CA 1 ATOM 9984 C C . SER G 3 195 ? -34.239 16.389 -20.528 1.00 80.50 ? 196 SER G C 1 ATOM 9985 O O . SER G 3 195 ? -35.327 16.685 -21.029 1.00 80.39 ? 196 SER G O 1 ATOM 9986 C CB . SER G 3 195 ? -32.894 18.376 -21.309 1.00 72.59 ? 196 SER G CB 1 ATOM 9987 O OG . SER G 3 195 ? -32.966 19.013 -20.047 1.00 68.71 ? 196 SER G OG 1 ATOM 9988 N N . ILE G 3 196 ? -34.128 15.652 -19.423 1.00 82.78 ? 197 ILE G N 1 ATOM 9989 C CA . ILE G 3 196 ? -35.306 15.119 -18.729 1.00 85.18 ? 197 ILE G CA 1 ATOM 9990 C C . ILE G 3 196 ? -36.088 16.238 -18.037 1.00 80.10 ? 197 ILE G C 1 ATOM 9991 O O . ILE G 3 196 ? -35.618 16.832 -17.061 1.00 76.73 ? 197 ILE G O 1 ATOM 9992 C CB . ILE G 3 196 ? -34.933 14.010 -17.717 1.00 89.67 ? 197 ILE G CB 1 ATOM 9993 N N . ILE G 3 197 ? -37.276 16.524 -18.570 1.00 80.19 ? 198 ILE G N 1 ATOM 9994 C CA . ILE G 3 197 ? -38.126 17.625 -18.093 1.00 75.99 ? 198 ILE G CA 1 ATOM 9995 C C . ILE G 3 197 ? -39.460 17.103 -17.533 1.00 79.33 ? 198 ILE G C 1 ATOM 9996 O O . ILE G 3 197 ? -39.914 16.025 -17.933 1.00 84.89 ? 198 ILE G O 1 ATOM 9997 C CB . ILE G 3 197 ? -38.374 18.694 -19.204 1.00 73.00 ? 198 ILE G CB 1 ATOM 9998 C CG1 . ILE G 3 197 ? -39.104 18.088 -20.411 1.00 77.72 ? 198 ILE G CG1 1 ATOM 9999 C CG2 . ILE G 3 197 ? -37.057 19.342 -19.627 1.00 69.50 ? 198 ILE G CG2 1 ATOM 10000 C CD1 . ILE G 3 197 ? -39.787 19.110 -21.312 1.00 76.15 ? 198 ILE G CD1 1 ATOM 10001 N N . PRO G 3 198 ? -40.088 17.858 -16.602 1.00 76.50 ? 199 PRO G N 1 ATOM 10002 C CA . PRO G 3 198 ? -41.350 17.431 -15.982 1.00 79.87 ? 199 PRO G CA 1 ATOM 10003 C C . PRO G 3 198 ? -42.461 17.158 -16.995 1.00 83.64 ? 199 PRO G C 1 ATOM 10004 O O . PRO G 3 198 ? -42.521 17.807 -18.042 1.00 82.00 ? 199 PRO G O 1 ATOM 10005 C CB . PRO G 3 198 ? -41.728 18.624 -15.100 1.00 75.55 ? 199 PRO G CB 1 ATOM 10006 C CG . PRO G 3 198 ? -40.442 19.296 -14.802 1.00 70.82 ? 199 PRO G CG 1 ATOM 10007 C CD . PRO G 3 198 ? -39.613 19.137 -16.036 1.00 70.70 ? 199 PRO G CD 1 ATOM 10008 N N . GLU G 3 199 ? -43.327 16.198 -16.676 1.00 89.20 ? 200 GLU G N 1 ATOM 10009 C CA . GLU G 3 199 ? -44.431 15.807 -17.555 1.00 94.03 ? 200 GLU G CA 1 ATOM 10010 C C . GLU G 3 199 ? -45.474 16.915 -17.711 1.00 92.06 ? 200 GLU G C 1 ATOM 10011 O O . GLU G 3 199 ? -46.116 17.027 -18.758 1.00 94.45 ? 200 GLU G O 1 ATOM 10012 C CB . GLU G 3 199 ? -45.096 14.527 -17.044 1.00 101.05 ? 200 GLU G CB 1 ATOM 10013 N N . ASP G 3 200 ? -45.628 17.729 -16.668 1.00 88.26 ? 201 ASP G N 1 ATOM 10014 C CA . ASP G 3 200 ? -46.609 18.815 -16.654 1.00 86.83 ? 201 ASP G CA 1 ATOM 10015 C C . ASP G 3 200 ? -46.013 20.171 -17.058 1.00 80.69 ? 201 ASP G C 1 ATOM 10016 O O . ASP G 3 200 ? -46.521 21.224 -16.659 1.00 78.38 ? 201 ASP G O 1 ATOM 10017 C CB . ASP G 3 200 ? -47.273 18.909 -15.275 1.00 87.48 ? 201 ASP G CB 1 ATOM 10018 N N . THR G 3 201 ? -44.945 20.138 -17.855 1.00 78.60 ? 202 THR G N 1 ATOM 10019 C CA . THR G 3 201 ? -44.302 21.357 -18.351 1.00 73.50 ? 202 THR G CA 1 ATOM 10020 C C . THR G 3 201 ? -45.205 22.052 -19.372 1.00 75.02 ? 202 THR G C 1 ATOM 10021 O O . THR G 3 201 ? -45.753 21.407 -20.273 1.00 79.64 ? 202 THR G O 1 ATOM 10022 C CB . THR G 3 201 ? -42.914 21.066 -18.965 1.00 71.70 ? 202 THR G CB 1 ATOM 10023 O OG1 . THR G 3 201 ? -42.153 20.255 -18.065 1.00 71.72 ? 202 THR G OG1 1 ATOM 10024 C CG2 . THR G 3 201 ? -42.150 22.355 -19.219 1.00 66.52 ? 202 THR G CG2 1 ATOM 10025 N N . PHE G 3 202 ? -45.355 23.365 -19.211 1.00 71.69 ? 203 PHE G N 1 ATOM 10026 C CA . PHE G 3 202 ? -46.295 24.159 -20.001 1.00 73.56 ? 203 PHE G CA 1 ATOM 10027 C C . PHE G 3 202 ? -45.683 24.652 -21.315 1.00 72.58 ? 203 PHE G C 1 ATOM 10028 O O . PHE G 3 202 ? -44.633 25.300 -21.320 1.00 68.17 ? 203 PHE G O 1 ATOM 10029 C CB . PHE G 3 202 ? -46.824 25.328 -19.156 1.00 71.49 ? 203 PHE G CB 1 ATOM 10030 C CG . PHE G 3 202 ? -47.816 26.209 -19.871 1.00 74.05 ? 203 PHE G CG 1 ATOM 10031 C CD1 . PHE G 3 202 ? -49.101 25.754 -20.154 1.00 79.80 ? 203 PHE G CD1 1 ATOM 10032 C CD2 . PHE G 3 202 ? -47.471 27.506 -20.240 1.00 71.26 ? 203 PHE G CD2 1 ATOM 10033 C CE1 . PHE G 3 202 ? -50.021 26.573 -20.809 1.00 82.87 ? 203 PHE G CE1 1 ATOM 10034 C CE2 . PHE G 3 202 ? -48.386 28.332 -20.895 1.00 74.29 ? 203 PHE G CE2 1 ATOM 10035 C CZ . PHE G 3 202 ? -49.661 27.865 -21.179 1.00 79.79 ? 203 PHE G CZ 1 ATOM 10036 N N . PHE G 3 203 ? -46.349 24.328 -22.423 1.00 77.25 ? 204 PHE G N 1 ATOM 10037 C CA . PHE G 3 203 ? -45.929 24.767 -23.753 1.00 77.53 ? 204 PHE G CA 1 ATOM 10038 C C . PHE G 3 203 ? -47.058 25.534 -24.444 1.00 81.09 ? 204 PHE G C 1 ATOM 10039 O O . PHE G 3 203 ? -47.992 24.924 -24.975 1.00 86.84 ? 204 PHE G O 1 ATOM 10040 C CB . PHE G 3 203 ? -45.501 23.576 -24.615 1.00 80.85 ? 204 PHE G CB 1 ATOM 10041 C CG . PHE G 3 203 ? -44.276 22.863 -24.115 1.00 78.21 ? 204 PHE G CG 1 ATOM 10042 C CD1 . PHE G 3 203 ? -44.393 21.762 -23.271 1.00 80.08 ? 204 PHE G CD1 1 ATOM 10043 C CD2 . PHE G 3 203 ? -43.006 23.279 -24.501 1.00 74.62 ? 204 PHE G CD2 1 ATOM 10044 C CE1 . PHE G 3 203 ? -43.260 21.092 -22.809 1.00 78.31 ? 204 PHE G CE1 1 ATOM 10045 C CE2 . PHE G 3 203 ? -41.868 22.614 -24.049 1.00 72.79 ? 204 PHE G CE2 1 ATOM 10046 C CZ . PHE G 3 203 ? -41.995 21.520 -23.199 1.00 74.74 ? 204 PHE G CZ 1 ATOM 10047 N N . PRO G 3 204 ? -46.985 26.879 -24.427 1.00 78.36 ? 205 PRO G N 1 ATOM 10048 C CA . PRO G 3 204 ? -48.000 27.720 -25.069 1.00 82.07 ? 205 PRO G CA 1 ATOM 10049 C C . PRO G 3 204 ? -47.865 27.774 -26.593 1.00 85.35 ? 205 PRO G C 1 ATOM 10050 O O . PRO G 3 204 ? -46.761 27.968 -27.110 1.00 82.47 ? 205 PRO G O 1 ATOM 10051 C CB . PRO G 3 204 ? -47.748 29.100 -24.459 1.00 77.91 ? 205 PRO G CB 1 ATOM 10052 C CG . PRO G 3 204 ? -46.316 29.086 -24.064 1.00 72.14 ? 205 PRO G CG 1 ATOM 10053 C CD . PRO G 3 204 ? -46.000 27.678 -23.672 1.00 72.21 ? 205 PRO G CD 1 ATOM 10054 N N . SER G 3 205 ? -48.994 27.599 -27.286 1.00 91.86 ? 206 SER G N 1 ATOM 10055 C CA . SER G 3 205 ? -49.089 27.669 -28.754 1.00 96.48 ? 206 SER G CA 1 ATOM 10056 C C . SER G 3 205 ? -47.886 27.088 -29.513 1.00 95.10 ? 206 SER G C 1 ATOM 10057 O O . SER G 3 205 ? -47.033 27.824 -30.022 1.00 92.37 ? 206 SER G O 1 ATOM 10058 C CB . SER G 3 205 ? -49.390 29.101 -29.211 1.00 97.22 ? 206 SER G CB 1 ATOM 10059 O OG . SER G 3 205 ? -50.715 29.469 -28.876 1.00 101.46 ? 206 SER G OG 1 ATOM 10060 N N . GLU H 4 2 ? -14.840 50.824 8.251 1.00 56.83 ? 1 GLU H N 1 ATOM 10061 C CA . GLU H 4 2 ? -14.988 51.755 7.093 1.00 58.38 ? 1 GLU H CA 1 ATOM 10062 C C . GLU H 4 2 ? -13.651 52.070 6.396 1.00 55.85 ? 1 GLU H C 1 ATOM 10063 O O . GLU H 4 2 ? -13.558 53.045 5.640 1.00 57.43 ? 1 GLU H O 1 ATOM 10064 C CB . GLU H 4 2 ? -15.685 53.046 7.539 1.00 62.73 ? 1 GLU H CB 1 ATOM 10065 N N . ALA H 4 3 ? -12.632 51.240 6.636 1.00 52.24 ? 2 ALA H N 1 ATOM 10066 C CA . ALA H 4 3 ? -11.297 51.449 6.061 1.00 49.92 ? 2 ALA H CA 1 ATOM 10067 C C . ALA H 4 3 ? -11.241 51.086 4.571 1.00 48.80 ? 2 ALA H C 1 ATOM 10068 O O . ALA H 4 3 ? -11.104 49.915 4.209 1.00 46.74 ? 2 ALA H O 1 ATOM 10069 C CB . ALA H 4 3 ? -10.242 50.678 6.853 1.00 47.05 ? 2 ALA H CB 1 ATOM 10070 N N . ALA H 4 4 ? -11.331 52.108 3.719 1.00 50.62 ? 3 ALA H N 1 ATOM 10071 C CA . ALA H 4 4 ? -11.512 51.932 2.270 1.00 50.39 ? 3 ALA H CA 1 ATOM 10072 C C . ALA H 4 4 ? -10.215 51.722 1.475 1.00 47.75 ? 3 ALA H C 1 ATOM 10073 O O . ALA H 4 4 ? -9.299 52.553 1.534 1.00 48.02 ? 3 ALA H O 1 ATOM 10074 C CB . ALA H 4 4 ? -12.301 53.113 1.693 1.00 54.11 ? 3 ALA H CB 1 ATOM 10075 N N . VAL H 4 5 ? -10.157 50.620 0.723 1.00 45.52 ? 4 VAL H N 1 ATOM 10076 C CA . VAL H 4 5 ? -9.036 50.347 -0.189 1.00 43.21 ? 4 VAL H CA 1 ATOM 10077 C C . VAL H 4 5 ? -9.503 50.200 -1.647 1.00 43.76 ? 4 VAL H C 1 ATOM 10078 O O . VAL H 4 5 ? -10.381 49.388 -1.953 1.00 43.90 ? 4 VAL H O 1 ATOM 10079 C CB . VAL H 4 5 ? -8.205 49.119 0.255 1.00 40.20 ? 4 VAL H CB 1 ATOM 10080 C CG1 . VAL H 4 5 ? -7.027 48.895 -0.688 1.00 38.68 ? 4 VAL H CG1 1 ATOM 10081 C CG2 . VAL H 4 5 ? -7.702 49.308 1.679 1.00 39.55 ? 4 VAL H CG2 1 ATOM 10082 N N . THR H 4 6 ? -8.895 50.992 -2.530 1.00 44.24 ? 5 THR H N 1 ATOM 10083 C CA . THR H 4 6 ? -9.268 51.076 -3.944 1.00 45.21 ? 5 THR H CA 1 ATOM 10084 C C . THR H 4 6 ? -8.216 50.414 -4.833 1.00 43.08 ? 5 THR H C 1 ATOM 10085 O O . THR H 4 6 ? -7.025 50.455 -4.527 1.00 41.82 ? 5 THR H O 1 ATOM 10086 C CB . THR H 4 6 ? -9.464 52.559 -4.359 1.00 48.34 ? 5 THR H CB 1 ATOM 10087 O OG1 . THR H 4 6 ? -10.604 53.093 -3.679 1.00 50.67 ? 5 THR H OG1 1 ATOM 10088 C CG2 . THR H 4 6 ? -9.672 52.712 -5.865 1.00 49.74 ? 5 THR H CG2 1 ATOM 10089 N N . GLN H 4 7 ? -8.664 49.797 -5.925 1.00 43.04 ? 6 GLN H N 1 ATOM 10090 C CA . GLN H 4 7 ? -7.762 49.187 -6.900 1.00 41.55 ? 6 GLN H CA 1 ATOM 10091 C C . GLN H 4 7 ? -8.112 49.608 -8.314 1.00 43.57 ? 6 GLN H C 1 ATOM 10092 O O . GLN H 4 7 ? -9.289 49.703 -8.664 1.00 45.45 ? 6 GLN H O 1 ATOM 10093 C CB . GLN H 4 7 ? -7.816 47.667 -6.815 1.00 39.65 ? 6 GLN H CB 1 ATOM 10094 C CG . GLN H 4 7 ? -6.989 47.068 -5.708 1.00 37.05 ? 6 GLN H CG 1 ATOM 10095 C CD . GLN H 4 7 ? -6.880 45.566 -5.827 1.00 35.30 ? 6 GLN H CD 1 ATOM 10096 O OE1 . GLN H 4 7 ? -7.142 44.845 -4.872 1.00 34.94 ? 6 GLN H OE1 1 ATOM 10097 N NE2 . GLN H 4 7 ? -6.493 45.085 -7.004 1.00 35.23 ? 6 GLN H NE2 1 ATOM 10098 N N . SER H 4 8 ? -7.083 49.839 -9.125 1.00 43.51 ? 7 SER H N 1 ATOM 10099 C CA . SER H 4 8 ? -7.260 50.283 -10.505 1.00 45.62 ? 7 SER H CA 1 ATOM 10100 C C . SER H 4 8 ? -6.192 49.699 -11.433 1.00 44.69 ? 7 SER H C 1 ATOM 10101 O O . SER H 4 8 ? -5.008 49.708 -11.095 1.00 43.65 ? 7 SER H O 1 ATOM 10102 C CB . SER H 4 8 ? -7.236 51.809 -10.577 1.00 48.16 ? 7 SER H CB 1 ATOM 10103 O OG . SER H 4 8 ? -7.480 52.255 -11.897 1.00 50.81 ? 7 SER H OG 1 ATOM 10104 N N . PRO H 4 9 ? -6.609 49.160 -12.595 1.00 45.48 ? 8 PRO H N 1 ATOM 10105 C CA . PRO H 4 9 ? -8.001 48.939 -12.983 1.00 46.98 ? 8 PRO H CA 1 ATOM 10106 C C . PRO H 4 9 ? -8.541 47.686 -12.302 1.00 45.37 ? 8 PRO H C 1 ATOM 10107 O O . PRO H 4 9 ? -7.798 47.008 -11.596 1.00 43.28 ? 8 PRO H O 1 ATOM 10108 C CB . PRO H 4 9 ? -7.907 48.723 -14.496 1.00 48.30 ? 8 PRO H CB 1 ATOM 10109 C CG . PRO H 4 9 ? -6.561 48.122 -14.698 1.00 46.47 ? 8 PRO H CG 1 ATOM 10110 C CD . PRO H 4 9 ? -5.670 48.747 -13.656 1.00 45.32 ? 8 PRO H CD 1 ATOM 10111 N N . ARG H 4 10 ? -9.816 47.383 -12.512 1.00 46.83 ? 9 ARG H N 1 ATOM 10112 C CA . ARG H 4 10 ? -10.430 46.206 -11.902 1.00 45.89 ? 9 ARG H CA 1 ATOM 10113 C C . ARG H 4 10 ? -10.319 44.996 -12.826 1.00 45.56 ? 9 ARG H C 1 ATOM 10114 O O . ARG H 4 10 ? -10.339 43.850 -12.370 1.00 44.47 ? 9 ARG H O 1 ATOM 10115 C CB . ARG H 4 10 ? -11.892 46.489 -11.539 1.00 48.10 ? 9 ARG H CB 1 ATOM 10116 C CG . ARG H 4 10 ? -12.077 47.706 -10.623 1.00 49.46 ? 9 ARG H CG 1 ATOM 10117 C CD . ARG H 4 10 ? -11.931 47.364 -9.137 1.00 47.81 ? 9 ARG H CD 1 ATOM 10118 N NE . ARG H 4 10 ? -13.241 47.205 -8.510 1.00 49.71 ? 9 ARG H NE 1 ATOM 10119 C CZ . ARG H 4 10 ? -13.867 46.042 -8.347 1.00 49.92 ? 9 ARG H CZ 1 ATOM 10120 N NH1 . ARG H 4 10 ? -13.296 44.908 -8.743 1.00 47.86 ? 9 ARG H NH1 1 ATOM 10121 N NH2 . ARG H 4 10 ? -15.066 46.013 -7.770 1.00 51.73 ? 9 ARG H NH2 1 ATOM 10122 N N . ASN H 4 11 ? -10.193 45.261 -14.124 1.00 46.73 ? 10 ASN H N 1 ATOM 10123 C CA . ASN H 4 11 ? -10.062 44.209 -15.125 1.00 46.83 ? 10 ASN H CA 1 ATOM 10124 C C . ASN H 4 11 ? -9.135 44.645 -16.260 1.00 47.17 ? 10 ASN H C 1 ATOM 10125 O O . ASN H 4 11 ? -9.315 45.716 -16.838 1.00 48.90 ? 10 ASN H O 1 ATOM 10126 C CB . ASN H 4 11 ? -11.442 43.814 -15.662 1.00 49.10 ? 10 ASN H CB 1 ATOM 10127 C CG . ASN H 4 11 ? -11.463 42.415 -16.247 1.00 49.37 ? 10 ASN H CG 1 ATOM 10128 O OD1 . ASN H 4 11 ? -10.664 42.078 -17.120 1.00 49.60 ? 10 ASN H OD1 1 ATOM 10129 N ND2 . ASN H 4 11 ? -12.389 41.594 -15.772 1.00 50.07 ? 10 ASN H ND2 1 ATOM 10130 N N . LYS H 4 12 ? -8.149 43.810 -16.574 1.00 45.90 ? 11 LYS H N 1 ATOM 10131 C CA . LYS H 4 12 ? -7.103 44.179 -17.526 1.00 46.31 ? 11 LYS H CA 1 ATOM 10132 C C . LYS H 4 12 ? -6.758 43.053 -18.492 1.00 46.90 ? 11 LYS H C 1 ATOM 10133 O O . LYS H 4 12 ? -6.574 41.905 -18.084 1.00 46.01 ? 11 LYS H O 1 ATOM 10134 C CB . LYS H 4 12 ? -5.843 44.645 -16.780 1.00 44.57 ? 11 LYS H CB 1 ATOM 10135 C CG . LYS H 4 12 ? -4.649 45.022 -17.663 1.00 45.29 ? 11 LYS H CG 1 ATOM 10136 C CD . LYS H 4 12 ? -4.943 46.212 -18.574 1.00 47.62 ? 11 LYS H CD 1 ATOM 10137 C CE . LYS H 4 12 ? -3.773 46.491 -19.504 1.00 48.57 ? 11 LYS H CE 1 ATOM 10138 N NZ . LYS H 4 12 ? -4.175 47.335 -20.663 1.00 51.65 ? 11 LYS H NZ 1 ATOM 10139 N N . VAL H 4 13 ? -6.674 43.402 -19.774 1.00 48.75 ? 12 VAL H N 1 ATOM 10140 C CA . VAL H 4 13 ? -6.256 42.471 -20.815 1.00 49.66 ? 12 VAL H CA 1 ATOM 10141 C C . VAL H 4 13 ? -4.976 43.001 -21.456 1.00 50.08 ? 12 VAL H C 1 ATOM 10142 O O . VAL H 4 13 ? -4.945 44.128 -21.958 1.00 51.37 ? 12 VAL H O 1 ATOM 10143 C CB . VAL H 4 13 ? -7.350 42.270 -21.893 1.00 52.15 ? 12 VAL H CB 1 ATOM 10144 C CG1 . VAL H 4 13 ? -6.934 41.186 -22.880 1.00 53.45 ? 12 VAL H CG1 1 ATOM 10145 C CG2 . VAL H 4 13 ? -8.690 41.915 -21.251 1.00 51.92 ? 12 VAL H CG2 1 ATOM 10146 N N . ALA H 4 14 ? -3.928 42.180 -21.425 1.00 49.40 ? 13 ALA H N 1 ATOM 10147 C CA . ALA H 4 14 ? -2.604 42.557 -21.918 1.00 49.87 ? 13 ALA H CA 1 ATOM 10148 C C . ALA H 4 14 ? -1.997 41.474 -22.807 1.00 51.32 ? 13 ALA H C 1 ATOM 10149 O O . ALA H 4 14 ? -2.568 40.391 -22.958 1.00 51.73 ? 13 ALA H O 1 ATOM 10150 C CB . ALA H 4 14 ? -1.685 42.854 -20.755 1.00 47.82 ? 13 ALA H CB 1 ATOM 10151 N N . VAL H 4 15 ? -0.837 41.774 -23.389 1.00 52.44 ? 14 VAL H N 1 ATOM 10152 C CA . VAL H 4 15 ? -0.138 40.836 -24.268 1.00 54.29 ? 14 VAL H CA 1 ATOM 10153 C C . VAL H 4 15 ? 1.281 40.539 -23.762 1.00 53.91 ? 14 VAL H C 1 ATOM 10154 O O . VAL H 4 15 ? 1.912 41.390 -23.125 1.00 52.81 ? 14 VAL H O 1 ATOM 10155 C CB . VAL H 4 15 ? -0.131 41.336 -25.751 1.00 57.14 ? 14 VAL H CB 1 ATOM 10156 C CG1 . VAL H 4 15 ? 0.893 42.451 -25.973 1.00 57.83 ? 14 VAL H CG1 1 ATOM 10157 C CG2 . VAL H 4 15 ? 0.101 40.183 -26.720 1.00 59.34 ? 14 VAL H CG2 1 ATOM 10158 N N . THR H 4 16 ? 1.761 39.326 -24.039 1.00 55.17 ? 15 THR H N 1 ATOM 10159 C CA . THR H 4 16 ? 3.125 38.905 -23.701 1.00 55.63 ? 15 THR H CA 1 ATOM 10160 C C . THR H 4 16 ? 4.144 39.942 -24.169 1.00 56.90 ? 15 THR H C 1 ATOM 10161 O O . THR H 4 16 ? 4.136 40.352 -25.332 1.00 59.06 ? 15 THR H O 1 ATOM 10162 C CB . THR H 4 16 ? 3.473 37.524 -24.325 1.00 58.01 ? 15 THR H CB 1 ATOM 10163 O OG1 . THR H 4 16 ? 2.420 36.587 -24.058 1.00 57.53 ? 15 THR H OG1 1 ATOM 10164 C CG2 . THR H 4 16 ? 4.788 36.982 -23.763 1.00 58.35 ? 15 THR H CG2 1 ATOM 10165 N N . GLY H 4 17 ? 5.004 40.374 -23.252 1.00 55.78 ? 16 GLY H N 1 ATOM 10166 C CA . GLY H 4 17 ? 6.028 41.367 -23.564 1.00 57.28 ? 16 GLY H CA 1 ATOM 10167 C C . GLY H 4 17 ? 5.606 42.795 -23.267 1.00 56.25 ? 16 GLY H C 1 ATOM 10168 O O . GLY H 4 17 ? 6.447 43.696 -23.211 1.00 57.14 ? 16 GLY H O 1 ATOM 10169 N N . GLY H 4 18 ? 4.304 42.998 -23.076 1.00 54.74 ? 17 GLY H N 1 ATOM 10170 C CA . GLY H 4 18 ? 3.755 44.315 -22.754 1.00 54.12 ? 17 GLY H CA 1 ATOM 10171 C C . GLY H 4 18 ? 4.059 44.749 -21.332 1.00 51.99 ? 17 GLY H C 1 ATOM 10172 O O . GLY H 4 18 ? 4.602 43.975 -20.540 1.00 50.77 ? 17 GLY H O 1 ATOM 10173 N N . LYS H 4 19 ? 3.711 45.992 -21.012 1.00 51.91 ? 18 LYS H N 1 ATOM 10174 C CA . LYS H 4 19 ? 3.911 46.526 -19.669 1.00 50.27 ? 18 LYS H CA 1 ATOM 10175 C C . LYS H 4 19 ? 2.569 46.785 -18.991 1.00 48.77 ? 18 LYS H C 1 ATOM 10176 O O . LYS H 4 19 ? 1.710 47.481 -19.539 1.00 49.92 ? 18 LYS H O 1 ATOM 10177 C CB . LYS H 4 19 ? 4.750 47.805 -19.709 1.00 51.97 ? 18 LYS H CB 1 ATOM 10178 C CG . LYS H 4 19 ? 5.288 48.238 -18.354 1.00 50.57 ? 18 LYS H CG 1 ATOM 10179 C CD . LYS H 4 19 ? 5.975 49.587 -18.443 1.00 53.10 ? 18 LYS H CD 1 ATOM 10180 C CE . LYS H 4 19 ? 6.248 50.154 -17.064 1.00 52.07 ? 18 LYS H CE 1 ATOM 10181 N NZ . LYS H 4 19 ? 6.644 51.585 -17.131 1.00 54.85 ? 18 LYS H NZ 1 ATOM 10182 N N . VAL H 4 20 ? 2.399 46.213 -17.801 1.00 46.51 ? 19 VAL H N 1 ATOM 10183 C CA . VAL H 4 20 ? 1.157 46.339 -17.043 1.00 45.19 ? 19 VAL H CA 1 ATOM 10184 C C . VAL H 4 20 ? 1.425 46.940 -15.667 1.00 43.97 ? 19 VAL H C 1 ATOM 10185 O O . VAL H 4 20 ? 2.324 46.496 -14.950 1.00 43.09 ? 19 VAL H O 1 ATOM 10186 C CB . VAL H 4 20 ? 0.448 44.975 -16.874 1.00 43.95 ? 19 VAL H CB 1 ATOM 10187 C CG1 . VAL H 4 20 ? -0.909 45.148 -16.186 1.00 42.97 ? 19 VAL H CG1 1 ATOM 10188 C CG2 . VAL H 4 20 ? 0.277 44.286 -18.219 1.00 45.49 ? 19 VAL H CG2 1 ATOM 10189 N N . THR H 4 21 ? 0.633 47.947 -15.308 1.00 44.35 ? 20 THR H N 1 ATOM 10190 C CA . THR H 4 21 ? 0.742 48.606 -14.012 1.00 43.51 ? 20 THR H CA 1 ATOM 10191 C C . THR H 4 21 ? -0.565 48.438 -13.247 1.00 42.34 ? 20 THR H C 1 ATOM 10192 O O . THR H 4 21 ? -1.614 48.901 -13.694 1.00 43.59 ? 20 THR H O 1 ATOM 10193 C CB . THR H 4 21 ? 1.076 50.110 -14.171 1.00 45.61 ? 20 THR H CB 1 ATOM 10194 O OG1 . THR H 4 21 ? 2.191 50.261 -15.056 1.00 47.58 ? 20 THR H OG1 1 ATOM 10195 C CG2 . THR H 4 21 ? 1.422 50.745 -12.830 1.00 45.05 ? 20 THR H CG2 1 ATOM 10196 N N . LEU H 4 22 ? -0.495 47.764 -12.103 1.00 40.39 ? 21 LEU H N 1 ATOM 10197 C CA . LEU H 4 22 ? -1.653 47.613 -11.224 1.00 39.64 ? 21 LEU H CA 1 ATOM 10198 C C . LEU H 4 22 ? -1.534 48.584 -10.058 1.00 39.77 ? 21 LEU H C 1 ATOM 10199 O O . LEU H 4 22 ? -0.531 48.583 -9.342 1.00 39.20 ? 21 LEU H O 1 ATOM 10200 C CB . LEU H 4 22 ? -1.777 46.174 -10.716 1.00 37.77 ? 21 LEU H CB 1 ATOM 10201 C CG . LEU H 4 22 ? -1.702 45.054 -11.759 1.00 38.00 ? 21 LEU H CG 1 ATOM 10202 C CD1 . LEU H 4 22 ? -1.732 43.711 -11.069 1.00 36.75 ? 21 LEU H CD1 1 ATOM 10203 C CD2 . LEU H 4 22 ? -2.813 45.157 -12.812 1.00 39.09 ? 21 LEU H CD2 1 ATOM 10204 N N . SER H 4 23 ? -2.553 49.419 -9.880 1.00 41.05 ? 22 SER H N 1 ATOM 10205 C CA . SER H 4 23 ? -2.496 50.501 -8.899 1.00 41.82 ? 22 SER H CA 1 ATOM 10206 C C . SER H 4 23 ? -3.436 50.268 -7.727 1.00 41.08 ? 22 SER H C 1 ATOM 10207 O O . SER H 4 23 ? -4.496 49.653 -7.876 1.00 40.98 ? 22 SER H O 1 ATOM 10208 C CB . SER H 4 23 ? -2.813 51.837 -9.564 1.00 44.63 ? 22 SER H CB 1 ATOM 10209 O OG . SER H 4 23 ? -1.964 52.052 -10.677 1.00 46.00 ? 22 SER H OG 1 ATOM 10210 N N . CYS H 4 24 ? -3.039 50.771 -6.562 1.00 40.90 ? 23 CYS H N 1 ATOM 10211 C CA . CYS H 4 24 ? -3.814 50.604 -5.344 1.00 40.39 ? 23 CYS H CA 1 ATOM 10212 C C . CYS H 4 24 ? -3.780 51.868 -4.504 1.00 41.96 ? 23 CYS H C 1 ATOM 10213 O O . CYS H 4 24 ? -2.706 52.380 -4.188 1.00 42.23 ? 23 CYS H O 1 ATOM 10214 C CB . CYS H 4 24 ? -3.267 49.437 -4.536 1.00 38.04 ? 23 CYS H CB 1 ATOM 10215 S SG . CYS H 4 24 ? -4.075 49.186 -2.957 1.00 38.34 ? 23 CYS H SG 1 ATOM 10216 N N . ASN H 4 25 ? -4.962 52.356 -4.136 1.00 43.35 ? 24 ASN H N 1 ATOM 10217 C CA . ASN H 4 25 ? -5.088 53.588 -3.368 1.00 45.41 ? 24 ASN H CA 1 ATOM 10218 C C . ASN H 4 25 ? -5.856 53.396 -2.061 1.00 45.16 ? 24 ASN H C 1 ATOM 10219 O O . ASN H 4 25 ? -6.913 52.764 -2.039 1.00 45.13 ? 24 ASN H O 1 ATOM 10220 C CB . ASN H 4 25 ? -5.762 54.667 -4.218 1.00 48.73 ? 24 ASN H CB 1 ATOM 10221 C CG . ASN H 4 25 ? -5.787 56.023 -3.535 1.00 51.78 ? 24 ASN H CG 1 ATOM 10222 O OD1 . ASN H 4 25 ? -6.825 56.463 -3.039 1.00 53.79 ? 24 ASN H OD1 1 ATOM 10223 N ND2 . ASN H 4 25 ? -4.639 56.691 -3.504 1.00 52.82 ? 24 ASN H ND2 1 ATOM 10224 N N . GLN H 4 26 ? -5.313 53.944 -0.977 1.00 45.30 ? 25 GLN H N 1 ATOM 10225 C CA . GLN H 4 26 ? -6.006 53.977 0.311 1.00 45.55 ? 25 GLN H CA 1 ATOM 10226 C C . GLN H 4 26 ? -5.832 55.332 0.993 1.00 48.25 ? 25 GLN H C 1 ATOM 10227 O O . GLN H 4 26 ? -4.752 55.930 0.941 1.00 48.78 ? 25 GLN H O 1 ATOM 10228 C CB . GLN H 4 26 ? -5.554 52.826 1.219 1.00 42.63 ? 25 GLN H CB 1 ATOM 10229 C CG . GLN H 4 26 ? -4.043 52.712 1.450 1.00 41.11 ? 25 GLN H CG 1 ATOM 10230 C CD . GLN H 4 26 ? -3.548 53.480 2.669 1.00 42.02 ? 25 GLN H CD 1 ATOM 10231 O OE1 . GLN H 4 26 ? -4.330 54.059 3.423 1.00 43.74 ? 25 GLN H OE1 1 ATOM 10232 N NE2 . GLN H 4 26 ? -2.235 53.478 2.868 1.00 41.28 ? 25 GLN H NE2 1 ATOM 10233 N N . THR H 4 27 ? -6.902 55.819 1.615 1.00 50.30 ? 26 THR H N 1 ATOM 10234 C CA . THR H 4 27 ? -6.871 57.112 2.300 1.00 53.36 ? 26 THR H CA 1 ATOM 10235 C C . THR H 4 27 ? -7.048 56.940 3.811 1.00 53.08 ? 26 THR H C 1 ATOM 10236 O O . THR H 4 27 ? -7.601 57.808 4.493 1.00 56.21 ? 26 THR H O 1 ATOM 10237 C CB . THR H 4 27 ? -7.931 58.089 1.736 1.00 57.43 ? 26 THR H CB 1 ATOM 10238 O OG1 . THR H 4 27 ? -9.242 57.554 1.945 1.00 57.93 ? 26 THR H OG1 1 ATOM 10239 C CG2 . THR H 4 27 ? -7.711 58.328 0.248 1.00 57.84 ? 26 THR H CG2 1 ATOM 10240 N N . ASN H 4 28 ? -6.562 55.808 4.319 1.00 49.52 ? 27 ASN H N 1 ATOM 10241 C CA . ASN H 4 28 ? -6.649 55.470 5.737 1.00 48.87 ? 27 ASN H CA 1 ATOM 10242 C C . ASN H 4 28 ? -5.445 55.979 6.523 1.00 48.94 ? 27 ASN H C 1 ATOM 10243 O O . ASN H 4 28 ? -5.427 55.917 7.754 1.00 49.10 ? 27 ASN H O 1 ATOM 10244 C CB . ASN H 4 28 ? -6.773 53.954 5.908 1.00 45.55 ? 27 ASN H CB 1 ATOM 10245 C CG . ASN H 4 28 ? -7.982 53.374 5.188 1.00 45.72 ? 27 ASN H CG 1 ATOM 10246 O OD1 . ASN H 4 28 ? -9.087 53.914 5.266 1.00 48.86 ? 27 ASN H OD1 1 ATOM 10247 N ND2 . ASN H 4 28 ? -7.777 52.263 4.490 1.00 42.78 ? 27 ASN H ND2 1 ATOM 10248 N N . ASN H 4 29 ? -4.455 56.495 5.795 1.00 49.08 ? 28 ASN H N 1 ATOM 10249 C CA . ASN H 4 29 ? -3.142 56.860 6.340 1.00 49.03 ? 28 ASN H CA 1 ATOM 10250 C C . ASN H 4 29 ? -2.431 55.657 6.965 1.00 45.69 ? 28 ASN H C 1 ATOM 10251 O O . ASN H 4 29 ? -1.788 55.764 8.011 1.00 45.84 ? 28 ASN H O 1 ATOM 10252 C CB . ASN H 4 29 ? -3.236 58.047 7.316 1.00 52.56 ? 28 ASN H CB 1 ATOM 10253 C CG . ASN H 4 29 ? -1.880 58.691 7.595 1.00 53.47 ? 28 ASN H CG 1 ATOM 10254 O OD1 . ASN H 4 29 ? -0.979 58.678 6.753 1.00 52.64 ? 28 ASN H OD1 1 ATOM 10255 N ND2 . ASN H 4 29 ? -1.737 59.261 8.783 1.00 55.30 ? 28 ASN H ND2 1 ATOM 10256 N N . HIS H 4 30 ? -2.569 54.508 6.309 1.00 42.97 ? 29 HIS H N 1 ATOM 10257 C CA . HIS H 4 30 ? -1.869 53.299 6.707 1.00 40.20 ? 29 HIS H CA 1 ATOM 10258 C C . HIS H 4 30 ? -0.463 53.306 6.134 1.00 39.53 ? 29 HIS H C 1 ATOM 10259 O O . HIS H 4 30 ? -0.275 53.577 4.947 1.00 39.81 ? 29 HIS H O 1 ATOM 10260 C CB . HIS H 4 30 ? -2.613 52.051 6.230 1.00 38.13 ? 29 HIS H CB 1 ATOM 10261 C CG . HIS H 4 30 ? -3.896 51.788 6.957 1.00 38.74 ? 29 HIS H CG 1 ATOM 10262 N ND1 . HIS H 4 30 ? -4.894 50.992 6.435 1.00 37.91 ? 29 HIS H ND1 1 ATOM 10263 C CD2 . HIS H 4 30 ? -4.348 52.217 8.160 1.00 40.19 ? 29 HIS H CD2 1 ATOM 10264 C CE1 . HIS H 4 30 ? -5.899 50.933 7.289 1.00 39.25 ? 29 HIS H CE1 1 ATOM 10265 N NE2 . HIS H 4 30 ? -5.595 51.670 8.343 1.00 40.63 ? 29 HIS H NE2 1 ATOM 10266 N N . ASN H 4 31 ? 0.517 53.020 6.990 1.00 39.04 ? 30 ASN H N 1 ATOM 10267 C CA . ASN H 4 31 ? 1.915 52.906 6.578 1.00 38.65 ? 30 ASN H CA 1 ATOM 10268 C C . ASN H 4 31 ? 2.146 51.701 5.673 1.00 36.42 ? 30 ASN H C 1 ATOM 10269 O O . ASN H 4 31 ? 2.936 51.763 4.731 1.00 36.60 ? 30 ASN H O 1 ATOM 10270 C CB . ASN H 4 31 ? 2.829 52.794 7.804 1.00 38.79 ? 30 ASN H CB 1 ATOM 10271 C CG . ASN H 4 31 ? 3.052 54.124 8.506 1.00 41.75 ? 30 ASN H CG 1 ATOM 10272 O OD1 . ASN H 4 31 ? 2.623 55.178 8.039 1.00 44.19 ? 30 ASN H OD1 1 ATOM 10273 N ND2 . ASN H 4 31 ? 3.743 54.076 9.638 1.00 42.13 ? 30 ASN H ND2 1 ATOM 10274 N N . ASN H 4 32 ? 1.431 50.617 5.957 1.00 34.71 ? 31 ASN H N 1 ATOM 10275 C CA . ASN H 4 32 ? 1.733 49.317 5.374 1.00 32.90 ? 31 ASN H CA 1 ATOM 10276 C C . ASN H 4 32 ? 0.748 48.881 4.298 1.00 32.30 ? 31 ASN H C 1 ATOM 10277 O O . ASN H 4 32 ? -0.466 48.940 4.494 1.00 32.52 ? 31 ASN H O 1 ATOM 10278 C CB . ASN H 4 32 ? 1.833 48.272 6.487 1.00 31.79 ? 31 ASN H CB 1 ATOM 10279 C CG . ASN H 4 32 ? 2.577 48.797 7.701 1.00 32.79 ? 31 ASN H CG 1 ATOM 10280 O OD1 . ASN H 4 32 ? 3.700 49.281 7.584 1.00 34.63 ? 31 ASN H OD1 1 ATOM 10281 N ND2 . ASN H 4 32 ? 1.946 48.729 8.867 1.00 32.80 ? 31 ASN H ND2 1 ATOM 10282 N N . MET H 4 33 ? 1.291 48.457 3.157 1.00 31.82 ? 32 MET H N 1 ATOM 10283 C CA . MET H 4 33 ? 0.497 47.994 2.019 1.00 31.37 ? 32 MET H CA 1 ATOM 10284 C C . MET H 4 33 ? 1.093 46.719 1.412 1.00 30.43 ? 32 MET H C 1 ATOM 10285 O O . MET H 4 33 ? 2.315 46.552 1.386 1.00 30.64 ? 32 MET H O 1 ATOM 10286 C CB . MET H 4 33 ? 0.389 49.089 0.962 1.00 32.53 ? 32 MET H CB 1 ATOM 10287 C CG . MET H 4 33 ? -0.262 50.365 1.459 1.00 34.17 ? 32 MET H CG 1 ATOM 10288 S SD . MET H 4 33 ? -0.583 51.564 0.157 1.00 35.80 ? 32 MET H SD 1 ATOM 10289 C CE . MET H 4 33 ? -1.941 50.762 -0.695 1.00 35.15 ? 32 MET H CE 1 ATOM 10290 N N . TYR H 4 34 ? 0.227 45.828 0.928 1.00 29.83 ? 33 TYR H N 1 ATOM 10291 C CA . TYR H 4 34 ? 0.637 44.480 0.519 1.00 29.12 ? 33 TYR H CA 1 ATOM 10292 C C . TYR H 4 34 ? 0.001 44.071 -0.806 1.00 29.14 ? 33 TYR H C 1 ATOM 10293 O O . TYR H 4 34 ? -1.181 44.345 -1.037 1.00 29.74 ? 33 TYR H O 1 ATOM 10294 C CB . TYR H 4 34 ? 0.247 43.453 1.592 1.00 28.61 ? 33 TYR H CB 1 ATOM 10295 C CG . TYR H 4 34 ? 0.544 43.869 3.014 1.00 28.86 ? 33 TYR H CG 1 ATOM 10296 C CD1 . TYR H 4 34 ? -0.334 44.693 3.721 1.00 29.69 ? 33 TYR H CD1 1 ATOM 10297 C CD2 . TYR H 4 34 ? 1.697 43.433 3.658 1.00 29.22 ? 33 TYR H CD2 1 ATOM 10298 C CE1 . TYR H 4 34 ? -0.062 45.079 5.031 1.00 30.33 ? 33 TYR H CE1 1 ATOM 10299 C CE2 . TYR H 4 34 ? 1.982 43.813 4.972 1.00 29.73 ? 33 TYR H CE2 1 ATOM 10300 C CZ . TYR H 4 34 ? 1.097 44.634 5.652 1.00 30.07 ? 33 TYR H CZ 1 ATOM 10301 O OH . TYR H 4 34 ? 1.372 45.010 6.946 1.00 30.25 ? 33 TYR H OH 1 ATOM 10302 N N . TRP H 4 35 ? 0.778 43.410 -1.663 1.00 28.81 ? 34 TRP H N 1 ATOM 10303 C CA . TRP H 4 35 ? 0.261 42.872 -2.919 1.00 28.92 ? 34 TRP H CA 1 ATOM 10304 C C . TRP H 4 35 ? 0.261 41.350 -2.893 1.00 28.84 ? 34 TRP H C 1 ATOM 10305 O O . TRP H 4 35 ? 1.298 40.719 -2.676 1.00 28.90 ? 34 TRP H O 1 ATOM 10306 C CB . TRP H 4 35 ? 1.078 43.359 -4.123 1.00 29.71 ? 34 TRP H CB 1 ATOM 10307 C CG . TRP H 4 35 ? 0.649 44.675 -4.707 1.00 30.03 ? 34 TRP H CG 1 ATOM 10308 C CD1 . TRP H 4 35 ? 1.339 45.850 -4.664 1.00 30.84 ? 34 TRP H CD1 1 ATOM 10309 C CD2 . TRP H 4 35 ? -0.555 44.945 -5.440 1.00 30.40 ? 34 TRP H CD2 1 ATOM 10310 N NE1 . TRP H 4 35 ? 0.638 46.841 -5.314 1.00 31.69 ? 34 TRP H NE1 1 ATOM 10311 C CE2 . TRP H 4 35 ? -0.527 46.312 -5.800 1.00 31.23 ? 34 TRP H CE2 1 ATOM 10312 C CE3 . TRP H 4 35 ? -1.657 44.168 -5.821 1.00 30.27 ? 34 TRP H CE3 1 ATOM 10313 C CZ2 . TRP H 4 35 ? -1.555 46.918 -6.524 1.00 32.32 ? 34 TRP H CZ2 1 ATOM 10314 C CZ3 . TRP H 4 35 ? -2.682 44.773 -6.541 1.00 31.10 ? 34 TRP H CZ3 1 ATOM 10315 C CH2 . TRP H 4 35 ? -2.622 46.135 -6.885 1.00 32.24 ? 34 TRP H CH2 1 ATOM 10316 N N . TYR H 4 36 ? -0.915 40.773 -3.114 1.00 29.05 ? 35 TYR H N 1 ATOM 10317 C CA . TYR H 4 36 ? -1.074 39.328 -3.225 1.00 29.50 ? 35 TYR H CA 1 ATOM 10318 C C . TYR H 4 36 ? -1.579 38.962 -4.618 1.00 30.48 ? 35 TYR H C 1 ATOM 10319 O O . TYR H 4 36 ? -2.146 39.804 -5.323 1.00 30.75 ? 35 TYR H O 1 ATOM 10320 C CB . TYR H 4 36 ? -2.099 38.825 -2.211 1.00 29.40 ? 35 TYR H CB 1 ATOM 10321 C CG . TYR H 4 36 ? -1.769 39.041 -0.752 1.00 28.51 ? 35 TYR H CG 1 ATOM 10322 C CD1 . TYR H 4 36 ? -2.154 40.208 -0.095 1.00 27.70 ? 35 TYR H CD1 1 ATOM 10323 C CD2 . TYR H 4 36 ? -1.118 38.054 -0.014 1.00 28.77 ? 35 TYR H CD2 1 ATOM 10324 C CE1 . TYR H 4 36 ? -1.880 40.401 1.250 1.00 27.26 ? 35 TYR H CE1 1 ATOM 10325 C CE2 . TYR H 4 36 ? -0.836 38.238 1.335 1.00 28.35 ? 35 TYR H CE2 1 ATOM 10326 C CZ . TYR H 4 36 ? -1.222 39.415 1.960 1.00 27.55 ? 35 TYR H CZ 1 ATOM 10327 O OH . TYR H 4 36 ? -0.951 39.601 3.297 1.00 27.43 ? 35 TYR H OH 1 ATOM 10328 N N . ARG H 4 37 ? -1.376 37.708 -5.011 1.00 31.34 ? 36 ARG H N 1 ATOM 10329 C CA . ARG H 4 37 ? -2.100 37.143 -6.151 1.00 32.58 ? 36 ARG H CA 1 ATOM 10330 C C . ARG H 4 37 ? -2.856 35.898 -5.704 1.00 33.48 ? 36 ARG H C 1 ATOM 10331 O O . ARG H 4 37 ? -2.424 35.204 -4.782 1.00 33.36 ? 36 ARG H O 1 ATOM 10332 C CB . ARG H 4 37 ? -1.182 36.846 -7.348 1.00 33.48 ? 36 ARG H CB 1 ATOM 10333 C CG . ARG H 4 37 ? -0.155 35.743 -7.134 1.00 34.33 ? 36 ARG H CG 1 ATOM 10334 C CD . ARG H 4 37 ? 0.674 35.501 -8.385 1.00 36.13 ? 36 ARG H CD 1 ATOM 10335 N NE . ARG H 4 37 ? -0.069 34.759 -9.403 1.00 38.29 ? 36 ARG H NE 1 ATOM 10336 C CZ . ARG H 4 37 ? 0.410 34.417 -10.598 1.00 39.84 ? 36 ARG H CZ 1 ATOM 10337 N NH1 . ARG H 4 37 ? 1.647 34.742 -10.955 1.00 39.99 ? 36 ARG H NH1 1 ATOM 10338 N NH2 . ARG H 4 37 ? -0.357 33.744 -11.444 1.00 41.50 ? 36 ARG H NH2 1 ATOM 10339 N N . GLN H 4 38 ? -3.993 35.642 -6.351 1.00 34.60 ? 37 GLN H N 1 ATOM 10340 C CA . GLN H 4 38 ? -4.818 34.475 -6.059 1.00 36.19 ? 37 GLN H CA 1 ATOM 10341 C C . GLN H 4 38 ? -4.931 33.585 -7.289 1.00 38.32 ? 37 GLN H C 1 ATOM 10342 O O . GLN H 4 38 ? -5.237 34.061 -8.383 1.00 38.71 ? 37 GLN H O 1 ATOM 10343 C CB . GLN H 4 38 ? -6.211 34.897 -5.581 1.00 36.16 ? 37 GLN H CB 1 ATOM 10344 C CG . GLN H 4 38 ? -7.033 33.759 -4.990 1.00 37.70 ? 37 GLN H CG 1 ATOM 10345 C CD . GLN H 4 38 ? -8.443 34.168 -4.598 1.00 38.09 ? 37 GLN H CD 1 ATOM 10346 O OE1 . GLN H 4 38 ? -9.066 35.009 -5.246 1.00 37.97 ? 37 GLN H OE1 1 ATOM 10347 N NE2 . GLN H 4 38 ? -8.961 33.557 -3.536 1.00 38.80 ? 37 GLN H NE2 1 ATOM 10348 N N . ASP H 4 39 ? -4.672 32.295 -7.097 1.00 40.15 ? 38 ASP H N 1 ATOM 10349 C CA . ASP H 4 39 ? -4.826 31.298 -8.153 1.00 42.91 ? 38 ASP H CA 1 ATOM 10350 C C . ASP H 4 39 ? -5.625 30.114 -7.627 1.00 45.19 ? 38 ASP H C 1 ATOM 10351 O O . ASP H 4 39 ? -5.554 29.792 -6.435 1.00 45.02 ? 38 ASP H O 1 ATOM 10352 C CB . ASP H 4 39 ? -3.459 30.832 -8.660 1.00 43.73 ? 38 ASP H CB 1 ATOM 10353 C CG . ASP H 4 39 ? -2.616 31.975 -9.196 1.00 42.59 ? 38 ASP H CG 1 ATOM 10354 O OD1 . ASP H 4 39 ? -2.865 32.430 -10.335 1.00 42.91 ? 38 ASP H OD1 1 ATOM 10355 O OD2 . ASP H 4 39 ? -1.700 32.420 -8.473 1.00 42.19 ? 38 ASP H OD2 1 ATOM 10356 N N . THR H 4 40 ? -6.387 29.473 -8.512 1.00 47.68 ? 39 THR H N 1 ATOM 10357 C CA . THR H 4 40 ? -7.210 28.325 -8.127 1.00 50.58 ? 39 THR H CA 1 ATOM 10358 C C . THR H 4 40 ? -6.374 27.231 -7.465 1.00 52.14 ? 39 THR H C 1 ATOM 10359 O O . THR H 4 40 ? -5.285 26.890 -7.939 1.00 52.70 ? 39 THR H O 1 ATOM 10360 C CB . THR H 4 40 ? -7.992 27.732 -9.320 1.00 53.37 ? 39 THR H CB 1 ATOM 10361 O OG1 . THR H 4 40 ? -7.096 27.480 -10.409 1.00 54.34 ? 39 THR H OG1 1 ATOM 10362 C CG2 . THR H 4 40 ? -9.087 28.693 -9.774 1.00 52.83 ? 39 THR H CG2 1 ATOM 10363 N N . GLY H 4 41 ? -6.887 26.711 -6.353 1.00 53.15 ? 40 GLY H N 1 ATOM 10364 C CA . GLY H 4 41 ? -6.218 25.662 -5.588 1.00 55.23 ? 40 GLY H CA 1 ATOM 10365 C C . GLY H 4 41 ? -4.967 26.116 -4.856 1.00 53.25 ? 40 GLY H C 1 ATOM 10366 O O . GLY H 4 41 ? -4.089 25.303 -4.558 1.00 55.04 ? 40 GLY H O 1 ATOM 10367 N N . HIS H 4 42 ? -4.883 27.409 -4.550 1.00 50.02 ? 41 HIS H N 1 ATOM 10368 C CA . HIS H 4 42 ? -3.687 27.951 -3.913 1.00 48.22 ? 41 HIS H CA 1 ATOM 10369 C C . HIS H 4 42 ? -3.916 28.773 -2.645 1.00 45.67 ? 41 HIS H C 1 ATOM 10370 O O . HIS H 4 42 ? -3.262 28.541 -1.626 1.00 45.71 ? 41 HIS H O 1 ATOM 10371 C CB . HIS H 4 42 ? -2.853 28.745 -4.923 1.00 47.02 ? 41 HIS H CB 1 ATOM 10372 C CG . HIS H 4 42 ? -1.879 27.904 -5.687 1.00 50.25 ? 41 HIS H CG 1 ATOM 10373 N ND1 . HIS H 4 42 ? -2.274 26.979 -6.631 1.00 53.76 ? 41 HIS H ND1 1 ATOM 10374 C CD2 . HIS H 4 42 ? -0.527 27.841 -5.639 1.00 51.36 ? 41 HIS H CD2 1 ATOM 10375 C CE1 . HIS H 4 42 ? -1.206 26.387 -7.136 1.00 56.11 ? 41 HIS H CE1 1 ATOM 10376 N NE2 . HIS H 4 42 ? -0.134 26.892 -6.551 1.00 54.95 ? 41 HIS H NE2 1 ATOM 10377 N N . GLY H 4 43 ? -4.827 29.734 -2.700 1.00 43.71 ? 42 GLY H N 1 ATOM 10378 C CA . GLY H 4 43 ? -4.918 30.708 -1.619 1.00 41.28 ? 42 GLY H CA 1 ATOM 10379 C C . GLY H 4 43 ? -3.855 31.773 -1.816 1.00 38.75 ? 42 GLY H C 1 ATOM 10380 O O . GLY H 4 43 ? -2.817 31.529 -2.437 1.00 39.08 ? 42 GLY H O 1 ATOM 10381 N N . LEU H 4 44 ? -4.117 32.958 -1.279 1.00 36.61 ? 43 LEU H N 1 ATOM 10382 C CA . LEU H 4 44 ? -3.323 34.142 -1.579 1.00 34.55 ? 43 LEU H CA 1 ATOM 10383 C C . LEU H 4 44 ? -1.840 33.985 -1.234 1.00 34.30 ? 43 LEU H C 1 ATOM 10384 O O . LEU H 4 44 ? -1.483 33.366 -0.229 1.00 34.85 ? 43 LEU H O 1 ATOM 10385 C CB . LEU H 4 44 ? -3.932 35.376 -0.902 1.00 33.15 ? 43 LEU H CB 1 ATOM 10386 C CG . LEU H 4 44 ? -5.164 36.024 -1.557 1.00 33.01 ? 43 LEU H CG 1 ATOM 10387 C CD1 . LEU H 4 44 ? -6.408 35.157 -1.475 1.00 34.40 ? 43 LEU H CD1 1 ATOM 10388 C CD2 . LEU H 4 44 ? -5.444 37.378 -0.925 1.00 32.16 ? 43 LEU H CD2 1 ATOM 10389 N N . ARG H 4 45 ? -0.991 34.534 -2.100 1.00 33.78 ? 44 ARG H N 1 ATOM 10390 C CA . ARG H 4 45 ? 0.462 34.508 -1.929 1.00 33.75 ? 44 ARG H CA 1 ATOM 10391 C C . ARG H 4 45 ? 1.049 35.911 -2.099 1.00 32.23 ? 44 ARG H C 1 ATOM 10392 O O . ARG H 4 45 ? 0.730 36.613 -3.060 1.00 31.99 ? 44 ARG H O 1 ATOM 10393 C CB . ARG H 4 45 ? 1.105 33.546 -2.929 1.00 35.56 ? 44 ARG H CB 1 ATOM 10394 C CG . ARG H 4 45 ? 0.856 32.070 -2.637 1.00 37.80 ? 44 ARG H CG 1 ATOM 10395 C CD . ARG H 4 45 ? 1.380 31.186 -3.766 1.00 40.75 ? 44 ARG H CD 1 ATOM 10396 N NE . ARG H 4 45 ? 0.804 31.547 -5.065 1.00 41.14 ? 44 ARG H NE 1 ATOM 10397 C CZ . ARG H 4 45 ? 1.099 30.953 -6.221 1.00 43.33 ? 44 ARG H CZ 1 ATOM 10398 N NH1 . ARG H 4 45 ? 1.968 29.948 -6.266 1.00 45.56 ? 44 ARG H NH1 1 ATOM 10399 N NH2 . ARG H 4 45 ? 0.519 31.366 -7.340 1.00 43.22 ? 44 ARG H NH2 1 ATOM 10400 N N . LEU H 4 46 ? 1.911 36.301 -1.162 1.00 31.54 ? 45 LEU H N 1 ATOM 10401 C CA . LEU H 4 46 ? 2.498 37.639 -1.124 1.00 30.35 ? 45 LEU H CA 1 ATOM 10402 C C . LEU H 4 46 ? 3.556 37.831 -2.210 1.00 31.07 ? 45 LEU H C 1 ATOM 10403 O O . LEU H 4 46 ? 4.442 36.990 -2.376 1.00 32.47 ? 45 LEU H O 1 ATOM 10404 C CB . LEU H 4 46 ? 3.111 37.893 0.257 1.00 29.99 ? 45 LEU H CB 1 ATOM 10405 C CG . LEU H 4 46 ? 3.494 39.316 0.666 1.00 29.30 ? 45 LEU H CG 1 ATOM 10406 C CD1 . LEU H 4 46 ? 2.257 40.185 0.869 1.00 28.65 ? 45 LEU H CD1 1 ATOM 10407 C CD2 . LEU H 4 46 ? 4.330 39.274 1.931 1.00 29.06 ? 45 LEU H CD2 1 ATOM 10408 N N . ILE H 4 47 ? 3.457 38.942 -2.941 1.00 30.39 ? 46 ILE H N 1 ATOM 10409 C CA . ILE H 4 47 ? 4.406 39.263 -4.004 1.00 31.07 ? 46 ILE H CA 1 ATOM 10410 C C . ILE H 4 47 ? 5.404 40.325 -3.544 1.00 31.07 ? 46 ILE H C 1 ATOM 10411 O O . ILE H 4 47 ? 6.614 40.105 -3.576 1.00 32.23 ? 46 ILE H O 1 ATOM 10412 C CB . ILE H 4 47 ? 3.698 39.751 -5.290 1.00 31.16 ? 46 ILE H CB 1 ATOM 10413 C CG1 . ILE H 4 47 ? 2.620 38.758 -5.742 1.00 31.24 ? 46 ILE H CG1 1 ATOM 10414 C CG2 . ILE H 4 47 ? 4.716 39.968 -6.402 1.00 32.56 ? 46 ILE H CG2 1 ATOM 10415 C CD1 . ILE H 4 47 ? 1.678 39.305 -6.811 1.00 30.71 ? 46 ILE H CD1 1 ATOM 10416 N N . HIS H 4 48 ? 4.882 41.479 -3.136 1.00 30.14 ? 47 HIS H N 1 ATOM 10417 C CA . HIS H 4 48 ? 5.685 42.588 -2.629 1.00 30.37 ? 47 HIS H CA 1 ATOM 10418 C C . HIS H 4 48 ? 4.913 43.301 -1.533 1.00 29.52 ? 47 HIS H C 1 ATOM 10419 O O . HIS H 4 48 ? 3.685 43.235 -1.493 1.00 28.88 ? 47 HIS H O 1 ATOM 10420 C CB . HIS H 4 48 ? 5.985 43.594 -3.741 1.00 31.21 ? 47 HIS H CB 1 ATOM 10421 C CG . HIS H 4 48 ? 7.092 43.183 -4.657 1.00 32.38 ? 47 HIS H CG 1 ATOM 10422 N ND1 . HIS H 4 48 ? 8.403 43.080 -4.242 1.00 33.74 ? 47 HIS H ND1 1 ATOM 10423 C CD2 . HIS H 4 48 ? 7.089 42.878 -5.976 1.00 33.01 ? 47 HIS H CD2 1 ATOM 10424 C CE1 . HIS H 4 48 ? 9.156 42.711 -5.263 1.00 35.21 ? 47 HIS H CE1 1 ATOM 10425 N NE2 . HIS H 4 48 ? 8.383 42.581 -6.327 1.00 34.73 ? 47 HIS H NE2 1 ATOM 10426 N N . TYR H 4 49 ? 5.628 43.987 -0.647 1.00 29.99 ? 48 TYR H N 1 ATOM 10427 C CA . TYR H 4 49 ? 4.982 44.821 0.367 1.00 29.76 ? 48 TYR H CA 1 ATOM 10428 C C . TYR H 4 49 ? 5.788 46.074 0.702 1.00 31.04 ? 48 TYR H C 1 ATOM 10429 O O . TYR H 4 49 ? 6.951 46.198 0.311 1.00 32.16 ? 48 TYR H O 1 ATOM 10430 C CB . TYR H 4 49 ? 4.622 44.018 1.629 1.00 28.94 ? 48 TYR H CB 1 ATOM 10431 C CG . TYR H 4 49 ? 5.783 43.426 2.402 1.00 29.39 ? 48 TYR H CG 1 ATOM 10432 C CD1 . TYR H 4 49 ? 6.505 42.341 1.904 1.00 29.89 ? 48 TYR H CD1 1 ATOM 10433 C CD2 . TYR H 4 49 ? 6.130 43.925 3.655 1.00 29.99 ? 48 TYR H CD2 1 ATOM 10434 C CE1 . TYR H 4 49 ? 7.561 41.786 2.618 1.00 30.69 ? 48 TYR H CE1 1 ATOM 10435 C CE2 . TYR H 4 49 ? 7.185 43.373 4.382 1.00 30.93 ? 48 TYR H CE2 1 ATOM 10436 C CZ . TYR H 4 49 ? 7.894 42.305 3.856 1.00 31.37 ? 48 TYR H CZ 1 ATOM 10437 O OH . TYR H 4 49 ? 8.932 41.755 4.570 1.00 32.81 ? 48 TYR H OH 1 ATOM 10438 N N . SER H 4 50 ? 5.148 47.003 1.409 1.00 31.19 ? 49 SER H N 1 ATOM 10439 C CA . SER H 4 50 ? 5.752 48.286 1.736 1.00 32.77 ? 49 SER H CA 1 ATOM 10440 C C . SER H 4 50 ? 5.404 48.723 3.150 1.00 32.91 ? 49 SER H C 1 ATOM 10441 O O . SER H 4 50 ? 4.260 48.594 3.585 1.00 32.04 ? 49 SER H O 1 ATOM 10442 C CB . SER H 4 50 ? 5.304 49.353 0.734 1.00 33.98 ? 49 SER H CB 1 ATOM 10443 O OG . SER H 4 50 ? 5.751 50.648 1.113 1.00 35.66 ? 49 SER H OG 1 ATOM 10444 N N . TYR H 4 51 ? 6.407 49.244 3.852 1.00 34.31 ? 50 TYR H N 1 ATOM 10445 C CA . TYR H 4 51 ? 6.232 49.794 5.195 1.00 34.99 ? 50 TYR H CA 1 ATOM 10446 C C . TYR H 4 51 ? 6.141 51.322 5.179 1.00 37.08 ? 50 TYR H C 1 ATOM 10447 O O . TYR H 4 51 ? 6.099 51.961 6.235 1.00 38.35 ? 50 TYR H O 1 ATOM 10448 C CB . TYR H 4 51 ? 7.379 49.357 6.110 1.00 35.38 ? 50 TYR H CB 1 ATOM 10449 C CG . TYR H 4 51 ? 7.332 47.913 6.546 1.00 34.09 ? 50 TYR H CG 1 ATOM 10450 C CD1 . TYR H 4 51 ? 6.178 47.370 7.109 1.00 33.24 ? 50 TYR H CD1 1 ATOM 10451 C CD2 . TYR H 4 51 ? 8.456 47.094 6.428 1.00 34.72 ? 50 TYR H CD2 1 ATOM 10452 C CE1 . TYR H 4 51 ? 6.134 46.044 7.526 1.00 32.62 ? 50 TYR H CE1 1 ATOM 10453 C CE2 . TYR H 4 51 ? 8.425 45.764 6.843 1.00 34.24 ? 50 TYR H CE2 1 ATOM 10454 C CZ . TYR H 4 51 ? 7.260 45.247 7.392 1.00 33.20 ? 50 TYR H CZ 1 ATOM 10455 O OH . TYR H 4 51 ? 7.212 43.935 7.807 1.00 33.16 ? 50 TYR H OH 1 ATOM 10456 N N . GLY H 4 52 ? 6.117 51.904 3.984 1.00 37.85 ? 51 GLY H N 1 ATOM 10457 C CA . GLY H 4 52 ? 6.004 53.352 3.843 1.00 40.29 ? 51 GLY H CA 1 ATOM 10458 C C . GLY H 4 52 ? 6.463 53.891 2.502 1.00 41.69 ? 51 GLY H C 1 ATOM 10459 O O . GLY H 4 52 ? 6.949 53.143 1.647 1.00 40.79 ? 51 GLY H O 1 ATOM 10460 N N . ALA H 4 53 ? 6.306 55.200 2.330 1.00 44.28 ? 52 ALA H N 1 ATOM 10461 C CA . ALA H 4 53 ? 6.666 55.877 1.089 1.00 46.23 ? 52 ALA H CA 1 ATOM 10462 C C . ALA H 4 53 ? 8.140 55.685 0.761 1.00 47.05 ? 52 ALA H C 1 ATOM 10463 O O . ALA H 4 53 ? 9.010 55.927 1.598 1.00 48.19 ? 52 ALA H O 1 ATOM 10464 C CB . ALA H 4 53 ? 6.323 57.359 1.174 1.00 49.49 ? 52 ALA H CB 1 ATOM 10465 N N . GLY H 4 54 ? 8.405 55.222 -0.456 1.00 46.71 ? 53 GLY H N 1 ATOM 10466 C CA . GLY H 4 54 ? 9.769 55.075 -0.949 1.00 48.23 ? 53 GLY H CA 1 ATOM 10467 C C . GLY H 4 54 ? 10.465 53.777 -0.586 1.00 46.53 ? 53 GLY H C 1 ATOM 10468 O O . GLY H 4 54 ? 11.625 53.580 -0.946 1.00 47.93 ? 53 GLY H O 1 ATOM 10469 N N . SER H 4 55 ? 9.775 52.894 0.130 1.00 43.95 ? 54 SER H N 1 ATOM 10470 C CA . SER H 4 55 ? 10.335 51.589 0.459 1.00 42.68 ? 54 SER H CA 1 ATOM 10471 C C . SER H 4 55 ? 9.462 50.484 -0.108 1.00 40.31 ? 54 SER H C 1 ATOM 10472 O O . SER H 4 55 ? 8.234 50.542 -0.029 1.00 39.11 ? 54 SER H O 1 ATOM 10473 C CB . SER H 4 55 ? 10.498 51.407 1.977 1.00 42.43 ? 54 SER H CB 1 ATOM 10474 O OG . SER H 4 55 ? 9.432 50.646 2.549 1.00 40.33 ? 54 SER H OG 1 ATOM 10475 N N . THR H 4 56 ? 10.115 49.477 -0.676 1.00 40.10 ? 55 THR H N 1 ATOM 10476 C CA . THR H 4 56 ? 9.446 48.293 -1.192 1.00 38.16 ? 55 THR H CA 1 ATOM 10477 C C . THR H 4 56 ? 10.228 47.078 -0.731 1.00 37.88 ? 55 THR H C 1 ATOM 10478 O O . THR H 4 56 ? 11.459 47.108 -0.690 1.00 39.67 ? 55 THR H O 1 ATOM 10479 C CB . THR H 4 56 ? 9.384 48.305 -2.730 1.00 38.86 ? 55 THR H CB 1 ATOM 10480 O OG1 . THR H 4 56 ? 10.673 48.648 -3.251 1.00 41.41 ? 55 THR H OG1 1 ATOM 10481 C CG2 . THR H 4 56 ? 8.355 49.323 -3.225 1.00 38.84 ? 55 THR H CG2 1 ATOM 10482 N N . GLU H 4 57 ? 9.512 46.016 -0.375 1.00 36.16 ? 56 GLU H N 1 ATOM 10483 C CA . GLU H 4 57 ? 10.135 44.795 0.129 1.00 36.20 ? 56 GLU H CA 1 ATOM 10484 C C . GLU H 4 57 ? 9.651 43.570 -0.635 1.00 35.58 ? 56 GLU H C 1 ATOM 10485 O O . GLU H 4 57 ? 8.468 43.461 -0.968 1.00 34.35 ? 56 GLU H O 1 ATOM 10486 C CB . GLU H 4 57 ? 9.851 44.620 1.623 1.00 35.42 ? 56 GLU H CB 1 ATOM 10487 C CG . GLU H 4 57 ? 10.337 45.763 2.519 1.00 36.53 ? 56 GLU H CG 1 ATOM 10488 C CD . GLU H 4 57 ? 11.850 45.946 2.503 1.00 39.24 ? 56 GLU H CD 1 ATOM 10489 O OE1 . GLU H 4 57 ? 12.583 44.954 2.284 1.00 39.78 ? 56 GLU H OE1 1 ATOM 10490 O OE2 . GLU H 4 57 ? 12.303 47.092 2.717 1.00 40.89 ? 56 GLU H OE2 1 ATOM 10491 N N . LYS H 4 58 ? 10.575 42.652 -0.904 1.00 36.95 ? 57 LYS H N 1 ATOM 10492 C CA . LYS H 4 58 ? 10.269 41.399 -1.592 1.00 36.97 ? 57 LYS H CA 1 ATOM 10493 C C . LYS H 4 58 ? 9.448 40.467 -0.711 1.00 35.76 ? 57 LYS H C 1 ATOM 10494 O O . LYS H 4 58 ? 9.792 40.234 0.451 1.00 35.99 ? 57 LYS H O 1 ATOM 10495 C CB . LYS H 4 58 ? 11.556 40.693 -2.021 1.00 39.30 ? 57 LYS H CB 1 ATOM 10496 C CG . LYS H 4 58 ? 12.238 41.308 -3.224 1.00 41.29 ? 57 LYS H CG 1 ATOM 10497 C CD . LYS H 4 58 ? 13.413 40.459 -3.672 1.00 44.59 ? 57 LYS H CD 1 ATOM 10498 C CE . LYS H 4 58 ? 14.044 41.028 -4.930 1.00 47.06 ? 57 LYS H CE 1 ATOM 10499 N NZ . LYS H 4 58 ? 15.258 40.260 -5.329 1.00 50.85 ? 57 LYS H NZ 1 ATOM 10500 N N . GLY H 4 59 ? 8.365 39.937 -1.274 1.00 34.87 ? 58 GLY H N 1 ATOM 10501 C CA . GLY H 4 59 ? 7.514 38.979 -0.572 1.00 34.30 ? 58 GLY H CA 1 ATOM 10502 C C . GLY H 4 59 ? 7.938 37.541 -0.814 1.00 36.04 ? 58 GLY H C 1 ATOM 10503 O O . GLY H 4 59 ? 9.125 37.262 -1.009 1.00 37.98 ? 58 GLY H O 1 ATOM 10504 N N . ASP H 4 60 ? 6.966 36.630 -0.806 1.00 35.81 ? 59 ASP H N 1 ATOM 10505 C CA . ASP H 4 60 ? 7.235 35.204 -0.995 1.00 37.80 ? 59 ASP H CA 1 ATOM 10506 C C . ASP H 4 60 ? 7.539 34.828 -2.444 1.00 39.10 ? 59 ASP H C 1 ATOM 10507 O O . ASP H 4 60 ? 8.368 33.956 -2.693 1.00 41.49 ? 59 ASP H O 1 ATOM 10508 C CB . ASP H 4 60 ? 6.077 34.355 -0.463 1.00 37.66 ? 59 ASP H CB 1 ATOM 10509 C CG . ASP H 4 60 ? 6.010 34.339 1.055 1.00 37.97 ? 59 ASP H CG 1 ATOM 10510 O OD1 . ASP H 4 60 ? 7.076 34.271 1.711 1.00 40.08 ? 59 ASP H OD1 1 ATOM 10511 O OD2 . ASP H 4 60 ? 4.884 34.382 1.596 1.00 37.64 ? 59 ASP H OD2 1 ATOM 10512 N N . ILE H 4 61 ? 6.867 35.481 -3.391 1.00 37.95 ? 60 ILE H N 1 ATOM 10513 C CA . ILE H 4 61 ? 7.066 35.204 -4.819 1.00 39.21 ? 60 ILE H CA 1 ATOM 10514 C C . ILE H 4 61 ? 7.235 36.488 -5.655 1.00 38.57 ? 60 ILE H C 1 ATOM 10515 O O . ILE H 4 61 ? 6.364 36.829 -6.464 1.00 37.95 ? 60 ILE H O 1 ATOM 10516 C CB . ILE H 4 61 ? 5.936 34.304 -5.409 1.00 39.54 ? 60 ILE H CB 1 ATOM 10517 C CG1 . ILE H 4 61 ? 4.547 34.854 -5.052 1.00 37.36 ? 60 ILE H CG1 1 ATOM 10518 C CG2 . ILE H 4 61 ? 6.098 32.859 -4.940 1.00 41.13 ? 60 ILE H CG2 1 ATOM 10519 C CD1 . ILE H 4 61 ? 3.440 34.425 -6.007 1.00 37.59 ? 60 ILE H CD1 1 ATOM 10520 N N . PRO H 4 62 ? 8.370 37.193 -5.476 1.00 39.05 ? 61 PRO H N 1 ATOM 10521 C CA . PRO H 4 62 ? 8.573 38.480 -6.140 1.00 38.64 ? 61 PRO H CA 1 ATOM 10522 C C . PRO H 4 62 ? 8.982 38.398 -7.615 1.00 40.44 ? 61 PRO H C 1 ATOM 10523 O O . PRO H 4 62 ? 8.801 39.373 -8.345 1.00 40.39 ? 61 PRO H O 1 ATOM 10524 C CB . PRO H 4 62 ? 9.703 39.107 -5.324 1.00 39.16 ? 61 PRO H CB 1 ATOM 10525 C CG . PRO H 4 62 ? 10.501 37.950 -4.859 1.00 40.75 ? 61 PRO H CG 1 ATOM 10526 C CD . PRO H 4 62 ? 9.519 36.838 -4.618 1.00 40.37 ? 61 PRO H CD 1 ATOM 10527 N N . ASP H 4 63 ? 9.526 37.260 -8.045 1.00 42.44 ? 62 ASP H N 1 ATOM 10528 C CA . ASP H 4 63 ? 10.096 37.128 -9.394 1.00 44.59 ? 62 ASP H CA 1 ATOM 10529 C C . ASP H 4 63 ? 9.115 37.462 -10.524 1.00 43.85 ? 62 ASP H C 1 ATOM 10530 O O . ASP H 4 63 ? 8.045 36.866 -10.629 1.00 43.07 ? 62 ASP H O 1 ATOM 10531 C CB . ASP H 4 63 ? 10.711 35.737 -9.594 1.00 47.29 ? 62 ASP H CB 1 ATOM 10532 C CG . ASP H 4 63 ? 12.056 35.581 -8.890 1.00 49.37 ? 62 ASP H CG 1 ATOM 10533 O OD1 . ASP H 4 63 ? 12.715 34.537 -9.103 1.00 51.93 ? 62 ASP H OD1 1 ATOM 10534 O OD2 . ASP H 4 63 ? 12.455 36.496 -8.129 1.00 48.28 ? 62 ASP H OD2 1 ATOM 10535 N N . GLY H 4 64 ? 9.498 38.425 -11.358 1.00 44.45 ? 63 GLY H N 1 ATOM 10536 C CA . GLY H 4 64 ? 8.675 38.862 -12.481 1.00 44.10 ? 63 GLY H CA 1 ATOM 10537 C C . GLY H 4 64 ? 7.880 40.126 -12.205 1.00 42.03 ? 63 GLY H C 1 ATOM 10538 O O . GLY H 4 64 ? 7.239 40.668 -13.106 1.00 42.25 ? 63 GLY H O 1 ATOM 10539 N N . TYR H 4 65 ? 7.922 40.598 -10.961 1.00 40.34 ? 64 TYR H N 1 ATOM 10540 C CA . TYR H 4 65 ? 7.176 41.787 -10.554 1.00 38.60 ? 64 TYR H CA 1 ATOM 10541 C C . TYR H 4 65 ? 8.079 42.840 -9.923 1.00 38.92 ? 64 TYR H C 1 ATOM 10542 O O . TYR H 4 65 ? 9.063 42.511 -9.263 1.00 39.53 ? 64 TYR H O 1 ATOM 10543 C CB . TYR H 4 65 ? 6.098 41.419 -9.535 1.00 36.49 ? 64 TYR H CB 1 ATOM 10544 C CG . TYR H 4 65 ? 5.102 40.369 -9.969 1.00 35.95 ? 64 TYR H CG 1 ATOM 10545 C CD1 . TYR H 4 65 ? 3.894 40.732 -10.568 1.00 35.42 ? 64 TYR H CD1 1 ATOM 10546 C CD2 . TYR H 4 65 ? 5.349 39.016 -9.749 1.00 36.34 ? 64 TYR H CD2 1 ATOM 10547 C CE1 . TYR H 4 65 ? 2.969 39.773 -10.956 1.00 35.05 ? 64 TYR H CE1 1 ATOM 10548 C CE2 . TYR H 4 65 ? 4.429 38.049 -10.131 1.00 36.54 ? 64 TYR H CE2 1 ATOM 10549 C CZ . TYR H 4 65 ? 3.243 38.435 -10.732 1.00 35.77 ? 64 TYR H CZ 1 ATOM 10550 O OH . TYR H 4 65 ? 2.333 37.478 -11.103 1.00 36.37 ? 64 TYR H OH 1 ATOM 10551 N N . LYS H 4 66 ? 7.729 44.107 -10.122 1.00 38.91 ? 65 LYS H N 1 ATOM 10552 C CA . LYS H 4 66 ? 8.360 45.210 -9.405 1.00 39.43 ? 65 LYS H CA 1 ATOM 10553 C C . LYS H 4 66 ? 7.292 45.984 -8.653 1.00 37.85 ? 65 LYS H C 1 ATOM 10554 O O . LYS H 4 66 ? 6.145 46.053 -9.095 1.00 37.32 ? 65 LYS H O 1 ATOM 10555 C CB . LYS H 4 66 ? 9.109 46.138 -10.365 1.00 41.87 ? 65 LYS H CB 1 ATOM 10556 C CG . LYS H 4 66 ? 10.495 45.637 -10.761 1.00 44.53 ? 65 LYS H CG 1 ATOM 10557 C CD . LYS H 4 66 ? 11.004 46.342 -12.015 1.00 47.72 ? 65 LYS H CD 1 ATOM 10558 C CE . LYS H 4 66 ? 12.233 45.647 -12.595 1.00 50.25 ? 65 LYS H CE 1 ATOM 10559 N NZ . LYS H 4 66 ? 12.401 45.913 -14.061 1.00 52.17 ? 65 LYS H NZ 1 ATOM 10560 N N . ALA H 4 67 ? 7.663 46.557 -7.514 1.00 37.48 ? 66 ALA H N 1 ATOM 10561 C CA . ALA H 4 67 ? 6.736 47.377 -6.747 1.00 36.53 ? 66 ALA H CA 1 ATOM 10562 C C . ALA H 4 67 ? 7.202 48.820 -6.661 1.00 38.28 ? 66 ALA H C 1 ATOM 10563 O O . ALA H 4 67 ? 8.399 49.101 -6.683 1.00 39.88 ? 66 ALA H O 1 ATOM 10564 C CB . ALA H 4 67 ? 6.534 46.807 -5.361 1.00 34.99 ? 66 ALA H CB 1 ATOM 10565 N N . SER H 4 68 ? 6.241 49.729 -6.558 1.00 38.43 ? 67 SER H N 1 ATOM 10566 C CA . SER H 4 68 ? 6.525 51.150 -6.422 1.00 40.50 ? 67 SER H CA 1 ATOM 10567 C C . SER H 4 68 ? 5.627 51.743 -5.345 1.00 40.04 ? 67 SER H C 1 ATOM 10568 O O . SER H 4 68 ? 4.408 51.549 -5.371 1.00 39.19 ? 67 SER H O 1 ATOM 10569 C CB . SER H 4 68 ? 6.303 51.862 -7.758 1.00 42.36 ? 67 SER H CB 1 ATOM 10570 O OG . SER H 4 68 ? 6.721 53.211 -7.697 1.00 44.91 ? 67 SER H OG 1 ATOM 10571 N N . ARG H 4 69 ? 6.230 52.443 -4.389 1.00 40.90 ? 68 ARG H N 1 ATOM 10572 C CA . ARG H 4 69 ? 5.465 53.136 -3.361 1.00 41.03 ? 68 ARG H CA 1 ATOM 10573 C C . ARG H 4 69 ? 5.805 54.627 -3.387 1.00 44.28 ? 68 ARG H C 1 ATOM 10574 O O . ARG H 4 69 ? 6.611 55.095 -2.581 1.00 45.48 ? 68 ARG H O 1 ATOM 10575 C CB . ARG H 4 69 ? 5.715 52.523 -1.977 1.00 39.37 ? 68 ARG H CB 1 ATOM 10576 C CG . ARG H 4 69 ? 4.809 53.062 -0.863 1.00 39.34 ? 68 ARG H CG 1 ATOM 10577 C CD . ARG H 4 69 ? 3.477 52.326 -0.784 1.00 36.78 ? 68 ARG H CD 1 ATOM 10578 N NE . ARG H 4 69 ? 2.570 52.912 0.204 1.00 37.20 ? 68 ARG H NE 1 ATOM 10579 C CZ . ARG H 4 69 ? 2.583 52.633 1.507 1.00 36.36 ? 68 ARG H CZ 1 ATOM 10580 N NH1 . ARG H 4 69 ? 3.467 51.779 2.002 1.00 35.07 ? 68 ARG H NH1 1 ATOM 10581 N NH2 . ARG H 4 69 ? 1.714 53.216 2.322 1.00 36.84 ? 68 ARG H NH2 1 ATOM 10582 N N . PRO H 4 70 ? 5.184 55.377 -4.318 1.00 46.10 ? 69 PRO H N 1 ATOM 10583 C CA . PRO H 4 70 ? 5.511 56.790 -4.526 1.00 49.78 ? 69 PRO H CA 1 ATOM 10584 C C . PRO H 4 70 ? 5.050 57.675 -3.376 1.00 51.20 ? 69 PRO H C 1 ATOM 10585 O O . PRO H 4 70 ? 5.650 58.717 -3.124 1.00 54.17 ? 69 PRO H O 1 ATOM 10586 C CB . PRO H 4 70 ? 4.735 57.154 -5.803 1.00 51.07 ? 69 PRO H CB 1 ATOM 10587 C CG . PRO H 4 70 ? 4.180 55.865 -6.340 1.00 48.12 ? 69 PRO H CG 1 ATOM 10588 C CD . PRO H 4 70 ? 4.065 54.950 -5.176 1.00 45.14 ? 69 PRO H CD 1 ATOM 10589 N N . SER H 4 71 ? 3.991 57.252 -2.691 1.00 49.52 ? 70 SER H N 1 ATOM 10590 C CA . SER H 4 71 ? 3.400 58.010 -1.597 1.00 51.02 ? 70 SER H CA 1 ATOM 10591 C C . SER H 4 71 ? 2.795 57.070 -0.556 1.00 48.38 ? 70 SER H C 1 ATOM 10592 O O . SER H 4 71 ? 2.809 55.845 -0.722 1.00 45.61 ? 70 SER H O 1 ATOM 10593 C CB . SER H 4 71 ? 2.325 58.953 -2.140 1.00 53.61 ? 70 SER H CB 1 ATOM 10594 O OG . SER H 4 71 ? 1.282 58.226 -2.768 1.00 51.62 ? 70 SER H OG 1 ATOM 10595 N N . GLN H 4 72 ? 2.265 57.651 0.517 1.00 49.79 ? 71 GLN H N 1 ATOM 10596 C CA . GLN H 4 72 ? 1.552 56.900 1.545 1.00 47.97 ? 71 GLN H CA 1 ATOM 10597 C C . GLN H 4 72 ? 0.281 56.248 0.985 1.00 46.79 ? 71 GLN H C 1 ATOM 10598 O O . GLN H 4 72 ? -0.078 55.134 1.376 1.00 44.27 ? 71 GLN H O 1 ATOM 10599 C CB . GLN H 4 72 ? 1.203 57.827 2.713 1.00 50.37 ? 71 GLN H CB 1 ATOM 10600 C CG . GLN H 4 72 ? 0.562 57.150 3.918 1.00 49.01 ? 71 GLN H CG 1 ATOM 10601 C CD . GLN H 4 72 ? 1.564 56.477 4.840 1.00 48.12 ? 71 GLN H CD 1 ATOM 10602 O OE1 . GLN H 4 72 ? 2.731 56.275 4.489 1.00 48.11 ? 71 GLN H OE1 1 ATOM 10603 N NE2 . GLN H 4 72 ? 1.107 56.124 6.032 1.00 47.61 ? 71 GLN H NE2 1 ATOM 10604 N N . GLU H 4 73 ? -0.381 56.945 0.062 1.00 49.05 ? 72 GLU H N 1 ATOM 10605 C CA . GLU H 4 73 ? -1.672 56.511 -0.475 1.00 48.79 ? 72 GLU H CA 1 ATOM 10606 C C . GLU H 4 73 ? -1.566 55.451 -1.578 1.00 46.49 ? 72 GLU H C 1 ATOM 10607 O O . GLU H 4 73 ? -2.340 54.493 -1.596 1.00 44.66 ? 72 GLU H O 1 ATOM 10608 C CB . GLU H 4 73 ? -2.479 57.713 -0.975 1.00 52.50 ? 72 GLU H CB 1 ATOM 10609 C CG . GLU H 4 73 ? -2.902 58.699 0.117 1.00 56.27 ? 72 GLU H CG 1 ATOM 10610 C CD . GLU H 4 73 ? -1.790 59.667 0.535 1.00 59.55 ? 72 GLU H CD 1 ATOM 10611 O OE1 . GLU H 4 73 ? -1.846 60.181 1.678 1.00 61.11 ? 72 GLU H OE1 1 ATOM 10612 O OE2 . GLU H 4 73 ? -0.865 59.915 -0.273 1.00 60.29 ? 72 GLU H OE2 1 ATOM 10613 N N . ASN H 4 74 ? -0.609 55.624 -2.488 1.00 46.92 ? 73 ASN H N 1 ATOM 10614 C CA . ASN H 4 74 ? -0.490 54.750 -3.659 1.00 45.43 ? 73 ASN H CA 1 ATOM 10615 C C . ASN H 4 74 ? 0.576 53.660 -3.542 1.00 42.92 ? 73 ASN H C 1 ATOM 10616 O O . ASN H 4 74 ? 1.677 53.907 -3.053 1.00 43.43 ? 73 ASN H O 1 ATOM 10617 C CB . ASN H 4 74 ? -0.255 55.578 -4.928 1.00 47.92 ? 73 ASN H CB 1 ATOM 10618 C CG . ASN H 4 74 ? -1.442 56.468 -5.279 1.00 50.71 ? 73 ASN H CG 1 ATOM 10619 O OD1 . ASN H 4 74 ? -2.580 56.003 -5.377 1.00 50.21 ? 73 ASN H OD1 1 ATOM 10620 N ND2 . ASN H 4 74 ? -1.174 57.753 -5.481 1.00 54.02 ? 73 ASN H ND2 1 ATOM 10621 N N . PHE H 4 75 ? 0.229 52.458 -3.998 1.00 40.69 ? 74 PHE H N 1 ATOM 10622 C CA . PHE H 4 75 ? 1.154 51.332 -4.068 1.00 38.66 ? 74 PHE H CA 1 ATOM 10623 C C . PHE H 4 75 ? 0.933 50.631 -5.402 1.00 38.34 ? 74 PHE H C 1 ATOM 10624 O O . PHE H 4 75 ? -0.172 50.160 -5.690 1.00 37.92 ? 74 PHE H O 1 ATOM 10625 C CB . PHE H 4 75 ? 0.905 50.368 -2.901 1.00 36.56 ? 74 PHE H CB 1 ATOM 10626 C CG . PHE H 4 75 ? 2.000 49.344 -2.684 1.00 35.08 ? 74 PHE H CG 1 ATOM 10627 C CD1 . PHE H 4 75 ? 3.329 49.628 -2.986 1.00 36.04 ? 74 PHE H CD1 1 ATOM 10628 C CD2 . PHE H 4 75 ? 1.697 48.106 -2.129 1.00 33.29 ? 74 PHE H CD2 1 ATOM 10629 C CE1 . PHE H 4 75 ? 4.331 48.684 -2.761 1.00 35.12 ? 74 PHE H CE1 1 ATOM 10630 C CE2 . PHE H 4 75 ? 2.693 47.158 -1.898 1.00 32.49 ? 74 PHE H CE2 1 ATOM 10631 C CZ . PHE H 4 75 ? 4.011 47.448 -2.215 1.00 33.33 ? 74 PHE H CZ 1 ATOM 10632 N N . SER H 4 76 ? 1.979 50.576 -6.222 1.00 38.90 ? 75 SER H N 1 ATOM 10633 C CA . SER H 4 76 ? 1.868 50.002 -7.562 1.00 39.01 ? 75 SER H CA 1 ATOM 10634 C C . SER H 4 76 ? 2.595 48.675 -7.737 1.00 37.58 ? 75 SER H C 1 ATOM 10635 O O . SER H 4 76 ? 3.700 48.488 -7.225 1.00 37.58 ? 75 SER H O 1 ATOM 10636 C CB . SER H 4 76 ? 2.347 50.997 -8.617 1.00 41.38 ? 75 SER H CB 1 ATOM 10637 O OG . SER H 4 76 ? 1.279 51.822 -9.038 1.00 43.31 ? 75 SER H OG 1 ATOM 10638 N N . LEU H 4 77 ? 1.954 47.759 -8.460 1.00 36.76 ? 76 LEU H N 1 ATOM 10639 C CA . LEU H 4 77 ? 2.590 46.531 -8.911 1.00 36.12 ? 76 LEU H CA 1 ATOM 10640 C C . LEU H 4 77 ? 2.865 46.661 -10.403 1.00 37.75 ? 76 LEU H C 1 ATOM 10641 O O . LEU H 4 77 ? 1.968 46.998 -11.179 1.00 38.48 ? 76 LEU H O 1 ATOM 10642 C CB . LEU H 4 77 ? 1.701 45.321 -8.623 1.00 34.61 ? 76 LEU H CB 1 ATOM 10643 C CG . LEU H 4 77 ? 2.320 43.925 -8.741 1.00 34.10 ? 76 LEU H CG 1 ATOM 10644 C CD1 . LEU H 4 77 ? 3.525 43.749 -7.820 1.00 33.69 ? 76 LEU H CD1 1 ATOM 10645 C CD2 . LEU H 4 77 ? 1.274 42.874 -8.441 1.00 32.96 ? 76 LEU H CD2 1 ATOM 10646 N N . ILE H 4 78 ? 4.112 46.417 -10.798 1.00 38.67 ? 77 ILE H N 1 ATOM 10647 C CA . ILE H 4 78 ? 4.524 46.623 -12.184 1.00 40.74 ? 77 ILE H CA 1 ATOM 10648 C C . ILE H 4 78 ? 5.115 45.360 -12.817 1.00 41.16 ? 77 ILE H C 1 ATOM 10649 O O . ILE H 4 78 ? 6.030 44.739 -12.268 1.00 41.11 ? 77 ILE H O 1 ATOM 10650 C CB . ILE H 4 78 ? 5.516 47.811 -12.328 1.00 42.72 ? 77 ILE H CB 1 ATOM 10651 C CG1 . ILE H 4 78 ? 5.027 49.029 -11.533 1.00 42.81 ? 77 ILE H CG1 1 ATOM 10652 C CG2 . ILE H 4 78 ? 5.716 48.167 -13.806 1.00 44.76 ? 77 ILE H CG2 1 ATOM 10653 C CD1 . ILE H 4 78 ? 6.066 50.130 -11.359 1.00 45.02 ? 77 ILE H CD1 1 ATOM 10654 N N . LEU H 4 79 ? 4.566 45.000 -13.975 1.00 41.91 ? 78 LEU H N 1 ATOM 10655 C CA . LEU H 4 79 ? 5.028 43.874 -14.774 1.00 42.88 ? 78 LEU H CA 1 ATOM 10656 C C . LEU H 4 79 ? 5.586 44.430 -16.079 1.00 45.38 ? 78 LEU H C 1 ATOM 10657 O O . LEU H 4 79 ? 4.822 44.861 -16.947 1.00 46.13 ? 78 LEU H O 1 ATOM 10658 C CB . LEU H 4 79 ? 3.862 42.929 -15.085 1.00 42.18 ? 78 LEU H CB 1 ATOM 10659 C CG . LEU H 4 79 ? 3.074 42.198 -13.995 1.00 40.16 ? 78 LEU H CG 1 ATOM 10660 C CD1 . LEU H 4 79 ? 2.282 43.141 -13.102 1.00 38.90 ? 78 LEU H CD1 1 ATOM 10661 C CD2 . LEU H 4 79 ? 2.137 41.215 -14.660 1.00 40.27 ? 78 LEU H CD2 1 ATOM 10662 N N . GLU H 4 80 ? 6.910 44.423 -16.220 1.00 46.97 ? 79 GLU H N 1 ATOM 10663 C CA . GLU H 4 80 ? 7.557 45.067 -17.371 1.00 49.84 ? 79 GLU H CA 1 ATOM 10664 C C . GLU H 4 80 ? 7.635 44.178 -18.612 1.00 51.50 ? 79 GLU H C 1 ATOM 10665 O O . GLU H 4 80 ? 7.686 44.671 -19.741 1.00 53.61 ? 79 GLU H O 1 ATOM 10666 C CB . GLU H 4 80 ? 8.936 45.610 -16.994 1.00 51.35 ? 79 GLU H CB 1 ATOM 10667 C CG . GLU H 4 80 ? 8.895 46.581 -15.818 1.00 50.89 ? 79 GLU H CG 1 ATOM 10668 C CD . GLU H 4 80 ? 9.746 47.820 -16.033 1.00 54.57 ? 79 GLU H CD 1 ATOM 10669 O OE1 . GLU H 4 80 ? 9.669 48.433 -17.129 1.00 57.08 ? 79 GLU H OE1 1 ATOM 10670 O OE2 . GLU H 4 80 ? 10.482 48.190 -15.091 1.00 54.92 ? 79 GLU H OE2 1 ATOM 10671 N N . LEU H 4 81 ? 7.654 42.868 -18.389 1.00 50.92 ? 80 LEU H N 1 ATOM 10672 C CA . LEU H 4 81 ? 7.561 41.888 -19.463 1.00 52.38 ? 80 LEU H CA 1 ATOM 10673 C C . LEU H 4 81 ? 6.542 40.840 -19.033 1.00 50.54 ? 80 LEU H C 1 ATOM 10674 O O . LEU H 4 81 ? 6.892 39.821 -18.428 1.00 50.26 ? 80 LEU H O 1 ATOM 10675 C CB . LEU H 4 81 ? 8.925 41.242 -19.748 1.00 54.87 ? 80 LEU H CB 1 ATOM 10676 C CG . LEU H 4 81 ? 10.094 42.125 -20.202 1.00 57.51 ? 80 LEU H CG 1 ATOM 10677 C CD1 . LEU H 4 81 ? 11.431 41.451 -19.906 1.00 59.54 ? 80 LEU H CD1 1 ATOM 10678 C CD2 . LEU H 4 81 ? 9.984 42.493 -21.681 1.00 60.19 ? 80 LEU H CD2 1 ATOM 10679 N N . ALA H 4 82 ? 5.275 41.118 -19.327 1.00 49.46 ? 81 ALA H N 1 ATOM 10680 C CA . ALA H 4 82 ? 4.177 40.241 -18.943 1.00 48.01 ? 81 ALA H CA 1 ATOM 10681 C C . ALA H 4 82 ? 4.277 38.872 -19.606 1.00 49.75 ? 81 ALA H C 1 ATOM 10682 O O . ALA H 4 82 ? 4.577 38.764 -20.796 1.00 52.08 ? 81 ALA H O 1 ATOM 10683 C CB . ALA H 4 82 ? 2.846 40.891 -19.257 1.00 47.42 ? 81 ALA H CB 1 ATOM 10684 N N . THR H 4 83 ? 4.034 37.834 -18.812 1.00 48.93 ? 82 THR H N 1 ATOM 10685 C CA . THR H 4 83 ? 4.046 36.451 -19.279 1.00 50.85 ? 82 THR H CA 1 ATOM 10686 C C . THR H 4 83 ? 2.665 35.831 -19.052 1.00 50.07 ? 82 THR H C 1 ATOM 10687 O O . THR H 4 83 ? 1.916 36.307 -18.196 1.00 47.81 ? 82 THR H O 1 ATOM 10688 C CB . THR H 4 83 ? 5.114 35.622 -18.537 1.00 51.54 ? 82 THR H CB 1 ATOM 10689 O OG1 . THR H 4 83 ? 4.950 35.787 -17.122 1.00 49.26 ? 82 THR H OG1 1 ATOM 10690 C CG2 . THR H 4 83 ? 6.518 36.060 -18.944 1.00 52.99 ? 82 THR H CG2 1 ATOM 10691 N N . PRO H 4 84 ? 2.316 34.774 -19.816 1.00 52.28 ? 83 PRO H N 1 ATOM 10692 C CA . PRO H 4 84 ? 0.999 34.154 -19.650 1.00 52.02 ? 83 PRO H CA 1 ATOM 10693 C C . PRO H 4 84 ? 0.797 33.581 -18.250 1.00 50.50 ? 83 PRO H C 1 ATOM 10694 O O . PRO H 4 84 ? -0.341 33.488 -17.783 1.00 49.59 ? 83 PRO H O 1 ATOM 10695 C CB . PRO H 4 84 ? 1.003 33.025 -20.687 1.00 55.32 ? 83 PRO H CB 1 ATOM 10696 C CG . PRO H 4 84 ? 2.039 33.414 -21.677 1.00 57.13 ? 83 PRO H CG 1 ATOM 10697 C CD . PRO H 4 84 ? 3.092 34.113 -20.882 1.00 55.50 ? 83 PRO H CD 1 ATOM 10698 N N . SER H 4 85 ? 1.897 33.220 -17.588 1.00 50.46 ? 84 SER H N 1 ATOM 10699 C CA . SER H 4 85 ? 1.857 32.667 -16.234 1.00 49.26 ? 84 SER H CA 1 ATOM 10700 C C . SER H 4 85 ? 1.491 33.706 -15.168 1.00 46.11 ? 84 SER H C 1 ATOM 10701 O O . SER H 4 85 ? 1.318 33.359 -13.993 1.00 45.11 ? 84 SER H O 1 ATOM 10702 C CB . SER H 4 85 ? 3.198 32.018 -15.884 1.00 50.74 ? 84 SER H CB 1 ATOM 10703 O OG . SER H 4 85 ? 4.185 32.998 -15.610 1.00 49.49 ? 84 SER H OG 1 ATOM 10704 N N . GLN H 4 86 ? 1.387 34.971 -15.576 1.00 44.81 ? 85 GLN H N 1 ATOM 10705 C CA . GLN H 4 86 ? 1.018 36.056 -14.662 1.00 42.16 ? 85 GLN H CA 1 ATOM 10706 C C . GLN H 4 86 ? -0.478 36.359 -14.706 1.00 41.57 ? 85 GLN H C 1 ATOM 10707 O O . GLN H 4 86 ? -0.963 37.238 -13.988 1.00 40.01 ? 85 GLN H O 1 ATOM 10708 C CB . GLN H 4 86 ? 1.844 37.313 -14.941 1.00 41.61 ? 85 GLN H CB 1 ATOM 10709 C CG . GLN H 4 86 ? 3.259 37.244 -14.387 1.00 41.58 ? 85 GLN H CG 1 ATOM 10710 C CD . GLN H 4 86 ? 4.141 38.382 -14.862 1.00 41.82 ? 85 GLN H CD 1 ATOM 10711 O OE1 . GLN H 4 86 ? 4.081 38.790 -16.019 1.00 42.63 ? 85 GLN H OE1 1 ATOM 10712 N NE2 . GLN H 4 86 ? 4.975 38.895 -13.966 1.00 41.12 ? 85 GLN H NE2 1 ATOM 10713 N N . THR H 4 87 ? -1.198 35.626 -15.555 1.00 43.21 ? 86 THR H N 1 ATOM 10714 C CA . THR H 4 87 ? -2.657 35.677 -15.606 1.00 43.09 ? 86 THR H CA 1 ATOM 10715 C C . THR H 4 87 ? -3.206 35.188 -14.270 1.00 41.97 ? 86 THR H C 1 ATOM 10716 O O . THR H 4 87 ? -2.994 34.035 -13.882 1.00 42.79 ? 86 THR H O 1 ATOM 10717 C CB . THR H 4 87 ? -3.199 34.813 -16.771 1.00 45.65 ? 86 THR H CB 1 ATOM 10718 O OG1 . THR H 4 87 ? -2.778 35.378 -18.019 1.00 46.80 ? 86 THR H OG1 1 ATOM 10719 C CG2 . THR H 4 87 ? -4.720 34.727 -16.741 1.00 45.95 ? 86 THR H CG2 1 ATOM 10720 N N . SER H 4 88 ? -3.894 36.079 -13.565 1.00 40.43 ? 87 SER H N 1 ATOM 10721 C CA . SER H 4 88 ? -4.347 35.813 -12.202 1.00 39.39 ? 87 SER H CA 1 ATOM 10722 C C . SER H 4 88 ? -5.322 36.891 -11.735 1.00 38.44 ? 87 SER H C 1 ATOM 10723 O O . SER H 4 88 ? -5.753 37.736 -12.522 1.00 38.98 ? 87 SER H O 1 ATOM 10724 C CB . SER H 4 88 ? -3.140 35.762 -11.254 1.00 38.09 ? 87 SER H CB 1 ATOM 10725 O OG . SER H 4 88 ? -3.491 35.220 -9.995 1.00 37.77 ? 87 SER H OG 1 ATOM 10726 N N . VAL H 4 89 ? -5.674 36.842 -10.454 1.00 37.40 ? 88 VAL H N 1 ATOM 10727 C CA . VAL H 4 89 ? -6.426 37.909 -9.813 1.00 36.61 ? 88 VAL H CA 1 ATOM 10728 C C . VAL H 4 89 ? -5.560 38.498 -8.703 1.00 34.96 ? 88 VAL H C 1 ATOM 10729 O O . VAL H 4 89 ? -5.099 37.777 -7.816 1.00 34.53 ? 88 VAL H O 1 ATOM 10730 C CB . VAL H 4 89 ? -7.775 37.413 -9.257 1.00 37.47 ? 88 VAL H CB 1 ATOM 10731 C CG1 . VAL H 4 89 ? -8.432 38.482 -8.399 1.00 37.10 ? 88 VAL H CG1 1 ATOM 10732 C CG2 . VAL H 4 89 ? -8.700 37.015 -10.394 1.00 39.40 ? 88 VAL H CG2 1 ATOM 10733 N N . TYR H 4 90 ? -5.338 39.808 -8.767 1.00 34.45 ? 89 TYR H N 1 ATOM 10734 C CA . TYR H 4 90 ? -4.422 40.490 -7.856 1.00 33.10 ? 89 TYR H CA 1 ATOM 10735 C C . TYR H 4 90 ? -5.153 41.301 -6.794 1.00 32.80 ? 89 TYR H C 1 ATOM 10736 O O . TYR H 4 90 ? -6.029 42.109 -7.112 1.00 33.66 ? 89 TYR H O 1 ATOM 10737 C CB . TYR H 4 90 ? -3.462 41.381 -8.647 1.00 33.12 ? 89 TYR H CB 1 ATOM 10738 C CG . TYR H 4 90 ? -2.535 40.600 -9.548 1.00 33.66 ? 89 TYR H CG 1 ATOM 10739 C CD1 . TYR H 4 90 ? -2.955 40.162 -10.805 1.00 35.25 ? 89 TYR H CD1 1 ATOM 10740 C CD2 . TYR H 4 90 ? -1.239 40.287 -9.140 1.00 32.97 ? 89 TYR H CD2 1 ATOM 10741 C CE1 . TYR H 4 90 ? -2.108 39.435 -11.631 1.00 36.00 ? 89 TYR H CE1 1 ATOM 10742 C CE2 . TYR H 4 90 ? -0.386 39.561 -9.958 1.00 33.69 ? 89 TYR H CE2 1 ATOM 10743 C CZ . TYR H 4 90 ? -0.826 39.141 -11.201 1.00 35.28 ? 89 TYR H CZ 1 ATOM 10744 O OH . TYR H 4 90 ? 0.015 38.427 -12.016 1.00 37.15 ? 89 TYR H OH 1 ATOM 10745 N N . PHE H 4 91 ? -4.787 41.072 -5.534 1.00 31.93 ? 90 PHE H N 1 ATOM 10746 C CA . PHE H 4 91 ? -5.367 41.798 -4.407 1.00 31.82 ? 90 PHE H CA 1 ATOM 10747 C C . PHE H 4 91 ? -4.342 42.698 -3.727 1.00 31.31 ? 90 PHE H C 1 ATOM 10748 O O . PHE H 4 91 ? -3.185 42.317 -3.540 1.00 30.64 ? 90 PHE H O 1 ATOM 10749 C CB . PHE H 4 91 ? -5.952 40.837 -3.369 1.00 31.70 ? 90 PHE H CB 1 ATOM 10750 C CG . PHE H 4 91 ? -7.245 40.196 -3.783 1.00 32.23 ? 90 PHE H CG 1 ATOM 10751 C CD1 . PHE H 4 91 ? -7.254 38.932 -4.365 1.00 32.47 ? 90 PHE H CD1 1 ATOM 10752 C CD2 . PHE H 4 91 ? -8.454 40.841 -3.570 1.00 32.36 ? 90 PHE H CD2 1 ATOM 10753 C CE1 . PHE H 4 91 ? -8.449 38.329 -4.744 1.00 33.40 ? 90 PHE H CE1 1 ATOM 10754 C CE2 . PHE H 4 91 ? -9.649 40.244 -3.944 1.00 33.70 ? 90 PHE H CE2 1 ATOM 10755 C CZ . PHE H 4 91 ? -9.645 38.987 -4.533 1.00 34.05 ? 90 PHE H CZ 1 ATOM 10756 N N . CYS H 4 92 ? -4.793 43.893 -3.363 1.00 32.07 ? 91 CYS H N 1 ATOM 10757 C CA . CYS H 4 92 ? -4.012 44.830 -2.576 1.00 32.15 ? 91 CYS H CA 1 ATOM 10758 C C . CYS H 4 92 ? -4.639 44.993 -1.194 1.00 31.90 ? 91 CYS H C 1 ATOM 10759 O O . CYS H 4 92 ? -5.863 45.019 -1.061 1.00 32.91 ? 91 CYS H O 1 ATOM 10760 C CB . CYS H 4 92 ? -3.956 46.183 -3.279 1.00 33.49 ? 91 CYS H CB 1 ATOM 10761 S SG . CYS H 4 92 ? -3.183 47.487 -2.286 1.00 36.39 ? 91 CYS H SG 1 ATOM 10762 N N . ALA H 4 93 ? -3.803 45.109 -0.169 1.00 30.91 ? 92 ALA H N 1 ATOM 10763 C CA . ALA H 4 93 ? -4.300 45.346 1.184 1.00 31.05 ? 92 ALA H CA 1 ATOM 10764 C C . ALA H 4 93 ? -3.530 46.469 1.858 1.00 31.30 ? 92 ALA H C 1 ATOM 10765 O O . ALA H 4 93 ? -2.451 46.844 1.402 1.00 31.13 ? 92 ALA H O 1 ATOM 10766 C CB . ALA H 4 93 ? -4.227 44.076 2.017 1.00 30.27 ? 92 ALA H CB 1 ATOM 10767 N N . SER H 4 94 ? -4.096 47.008 2.934 1.00 31.92 ? 93 SER H N 1 ATOM 10768 C CA . SER H 4 94 ? -3.423 48.029 3.724 1.00 32.63 ? 93 SER H CA 1 ATOM 10769 C C . SER H 4 94 ? -3.613 47.776 5.215 1.00 32.67 ? 93 SER H C 1 ATOM 10770 O O . SER H 4 94 ? -4.549 47.087 5.616 1.00 32.70 ? 93 SER H O 1 ATOM 10771 C CB . SER H 4 94 ? -3.923 49.425 3.347 1.00 34.67 ? 93 SER H CB 1 ATOM 10772 O OG . SER H 4 94 ? -5.163 49.714 3.969 1.00 36.33 ? 93 SER H OG 1 ATOM 10773 N N . GLY H 4 95 ? -2.724 48.336 6.031 1.00 32.96 ? 94 GLY H N 1 ATOM 10774 C CA . GLY H 4 95 ? -2.822 48.189 7.479 1.00 33.50 ? 94 GLY H CA 1 ATOM 10775 C C . GLY H 4 95 ? -1.876 49.075 8.264 1.00 34.50 ? 94 GLY H C 1 ATOM 10776 O O . GLY H 4 95 ? -0.849 49.518 7.743 1.00 34.62 ? 94 GLY H O 1 ATOM 10777 N N . ASP H 4 96 ? -2.231 49.341 9.521 1.00 35.58 ? 95 ASP H N 1 ATOM 10778 C CA . ASP H 4 96 ? -1.363 50.096 10.424 1.00 36.63 ? 95 ASP H CA 1 ATOM 10779 C C . ASP H 4 96 ? -0.479 49.128 11.215 1.00 35.39 ? 95 ASP H C 1 ATOM 10780 O O . ASP H 4 96 ? -0.146 48.054 10.715 1.00 33.90 ? 95 ASP H O 1 ATOM 10781 C CB . ASP H 4 96 ? -2.174 51.032 11.340 1.00 38.93 ? 95 ASP H CB 1 ATOM 10782 C CG . ASP H 4 96 ? -3.207 50.299 12.186 1.00 39.14 ? 95 ASP H CG 1 ATOM 10783 O OD1 . ASP H 4 96 ? -4.267 50.896 12.471 1.00 41.02 ? 95 ASP H OD1 1 ATOM 10784 O OD2 . ASP H 4 96 ? -2.968 49.136 12.575 1.00 38.17 ? 95 ASP H OD2 1 ATOM 10785 N N . GLU H 4 97 ? -0.113 49.498 12.440 1.00 36.40 ? 96 GLU H N 1 ATOM 10786 C CA . GLU H 4 97 ? 0.755 48.662 13.273 1.00 35.72 ? 96 GLU H CA 1 ATOM 10787 C C . GLU H 4 97 ? 0.083 47.362 13.740 1.00 34.69 ? 96 GLU H C 1 ATOM 10788 O O . GLU H 4 97 ? 0.766 46.418 14.138 1.00 33.95 ? 96 GLU H O 1 ATOM 10789 C CB . GLU H 4 97 ? 1.317 49.459 14.460 1.00 37.43 ? 96 GLU H CB 1 ATOM 10790 C CG . GLU H 4 97 ? 0.274 49.990 15.440 1.00 39.59 ? 96 GLU H CG 1 ATOM 10791 C CD . GLU H 4 97 ? -0.326 51.330 15.033 1.00 42.48 ? 96 GLU H CD 1 ATOM 10792 O OE1 . GLU H 4 97 ? -1.167 51.845 15.799 1.00 45.02 ? 96 GLU H OE1 1 ATOM 10793 O OE2 . GLU H 4 97 ? 0.036 51.877 13.966 1.00 42.68 ? 96 GLU H OE2 1 ATOM 10794 N N . GLY H 4 98 ? -1.248 47.324 13.679 1.00 35.00 ? 97 GLY H N 1 ATOM 10795 C CA . GLY H 4 98 ? -2.027 46.144 14.058 1.00 34.59 ? 97 GLY H CA 1 ATOM 10796 C C . GLY H 4 98 ? -1.936 45.033 13.028 1.00 33.09 ? 97 GLY H C 1 ATOM 10797 O O . GLY H 4 98 ? -1.424 45.239 11.925 1.00 32.30 ? 97 GLY H O 1 ATOM 10798 N N . TYR H 4 99 ? -2.429 43.849 13.384 1.00 33.02 ? 98 TYR H N 1 ATOM 10799 C CA . TYR H 4 99 ? -2.352 42.700 12.482 1.00 32.02 ? 98 TYR H CA 1 ATOM 10800 C C . TYR H 4 99 ? -3.339 42.752 11.307 1.00 31.98 ? 98 TYR H C 1 ATOM 10801 O O . TYR H 4 99 ? -3.057 42.190 10.248 1.00 31.43 ? 98 TYR H O 1 ATOM 10802 C CB . TYR H 4 99 ? -2.460 41.365 13.238 1.00 32.36 ? 98 TYR H CB 1 ATOM 10803 C CG . TYR H 4 99 ? -3.687 41.196 14.113 1.00 33.13 ? 98 TYR H CG 1 ATOM 10804 C CD1 . TYR H 4 99 ? -3.579 41.234 15.501 1.00 33.69 ? 98 TYR H CD1 1 ATOM 10805 C CD2 . TYR H 4 99 ? -4.951 40.970 13.555 1.00 33.03 ? 98 TYR H CD2 1 ATOM 10806 C CE1 . TYR H 4 99 ? -4.698 41.070 16.315 1.00 35.31 ? 98 TYR H CE1 1 ATOM 10807 C CE2 . TYR H 4 99 ? -6.075 40.808 14.358 1.00 34.35 ? 98 TYR H CE2 1 ATOM 10808 C CZ . TYR H 4 99 ? -5.940 40.859 15.737 1.00 35.69 ? 98 TYR H CZ 1 ATOM 10809 O OH . TYR H 4 99 ? -7.043 40.700 16.541 1.00 37.49 ? 98 TYR H OH 1 ATOM 10810 N N . THR H 4 100 ? -4.477 43.423 11.488 1.00 32.98 ? 99 THR H N 1 ATOM 10811 C CA . THR H 4 100 ? -5.519 43.454 10.459 1.00 33.33 ? 99 THR H CA 1 ATOM 10812 C C . THR H 4 100 ? -5.021 44.100 9.169 1.00 32.60 ? 99 THR H C 1 ATOM 10813 O O . THR H 4 100 ? -4.475 45.204 9.188 1.00 32.92 ? 99 THR H O 1 ATOM 10814 C CB . THR H 4 100 ? -6.807 44.173 10.941 1.00 35.18 ? 99 THR H CB 1 ATOM 10815 O OG1 . THR H 4 100 ? -7.329 43.507 12.096 1.00 36.53 ? 99 THR H OG1 1 ATOM 10816 C CG2 . THR H 4 100 ? -7.880 44.157 9.860 1.00 35.73 ? 99 THR H CG2 1 ATOM 10817 N N . GLN H 4 101 ? -5.189 43.378 8.064 1.00 31.97 ? 100 GLN H N 1 ATOM 10818 C CA . GLN H 4 101 ? -4.995 43.921 6.725 1.00 31.50 ? 100 GLN H CA 1 ATOM 10819 C C . GLN H 4 101 ? -6.368 44.063 6.068 1.00 32.57 ? 100 GLN H C 1 ATOM 10820 O O . GLN H 4 101 ? -7.225 43.190 6.207 1.00 33.04 ? 100 GLN H O 1 ATOM 10821 C CB . GLN H 4 101 ? -4.093 43.012 5.887 1.00 30.34 ? 100 GLN H CB 1 ATOM 10822 C CG . GLN H 4 101 ? -2.668 42.864 6.415 1.00 30.00 ? 100 GLN H CG 1 ATOM 10823 C CD . GLN H 4 101 ? -1.763 42.034 5.504 1.00 29.85 ? 100 GLN H CD 1 ATOM 10824 O OE1 . GLN H 4 101 ? -2.148 41.640 4.402 1.00 29.88 ? 100 GLN H OE1 1 ATOM 10825 N NE2 . GLN H 4 101 ? -0.546 41.771 5.968 1.00 29.96 ? 100 GLN H NE2 1 ATOM 10826 N N . TYR H 4 102 ? -6.570 45.177 5.371 1.00 33.35 ? 101 TYR H N 1 ATOM 10827 C CA . TYR H 4 102 ? -7.857 45.510 4.764 1.00 34.87 ? 101 TYR H CA 1 ATOM 10828 C C . TYR H 4 102 ? -7.754 45.381 3.249 1.00 34.43 ? 101 TYR H C 1 ATOM 10829 O O . TYR H 4 102 ? -7.035 46.147 2.603 1.00 34.45 ? 101 TYR H O 1 ATOM 10830 C CB . TYR H 4 102 ? -8.275 46.935 5.148 1.00 36.65 ? 101 TYR H CB 1 ATOM 10831 C CG . TYR H 4 102 ? -8.452 47.155 6.636 1.00 37.54 ? 101 TYR H CG 1 ATOM 10832 C CD1 . TYR H 4 102 ? -9.700 46.994 7.242 1.00 39.27 ? 101 TYR H CD1 1 ATOM 10833 C CD2 . TYR H 4 102 ? -7.373 47.538 7.438 1.00 36.88 ? 101 TYR H CD2 1 ATOM 10834 C CE1 . TYR H 4 102 ? -9.868 47.201 8.610 1.00 40.33 ? 101 TYR H CE1 1 ATOM 10835 C CE2 . TYR H 4 102 ? -7.530 47.746 8.809 1.00 37.80 ? 101 TYR H CE2 1 ATOM 10836 C CZ . TYR H 4 102 ? -8.779 47.576 9.386 1.00 39.73 ? 101 TYR H CZ 1 ATOM 10837 O OH . TYR H 4 102 ? -8.937 47.779 10.740 1.00 41.36 ? 101 TYR H OH 1 ATOM 10838 N N . PHE H 4 103 ? -8.477 44.418 2.686 1.00 34.41 ? 102 PHE H N 1 ATOM 10839 C CA . PHE H 4 103 ? -8.298 44.055 1.282 1.00 33.70 ? 102 PHE H CA 1 ATOM 10840 C C . PHE H 4 103 ? -9.120 44.889 0.310 1.00 35.20 ? 102 PHE H C 1 ATOM 10841 O O . PHE H 4 103 ? -10.243 45.293 0.619 1.00 36.90 ? 102 PHE H O 1 ATOM 10842 C CB . PHE H 4 103 ? -8.568 42.566 1.079 1.00 33.39 ? 102 PHE H CB 1 ATOM 10843 C CG . PHE H 4 103 ? -7.510 41.683 1.662 1.00 31.90 ? 102 PHE H CG 1 ATOM 10844 C CD1 . PHE H 4 103 ? -7.549 41.320 3.003 1.00 31.94 ? 102 PHE H CD1 1 ATOM 10845 C CD2 . PHE H 4 103 ? -6.461 41.223 0.872 1.00 30.81 ? 102 PHE H CD2 1 ATOM 10846 C CE1 . PHE H 4 103 ? -6.561 40.507 3.548 1.00 31.37 ? 102 PHE H CE1 1 ATOM 10847 C CE2 . PHE H 4 103 ? -5.470 40.411 1.404 1.00 29.78 ? 102 PHE H CE2 1 ATOM 10848 C CZ . PHE H 4 103 ? -5.519 40.050 2.745 1.00 30.46 ? 102 PHE H CZ 1 ATOM 10849 N N . GLY H 4 104 ? -8.535 45.133 -0.865 1.00 34.70 ? 103 GLY H N 1 ATOM 10850 C CA . GLY H 4 104 ? -9.217 45.777 -1.984 1.00 36.14 ? 103 GLY H CA 1 ATOM 10851 C C . GLY H 4 104 ? -10.113 44.794 -2.721 1.00 36.93 ? 103 GLY H C 1 ATOM 10852 O O . GLY H 4 104 ? -10.110 43.600 -2.413 1.00 36.19 ? 103 GLY H O 1 ATOM 10853 N N . PRO H 4 105 ? -10.879 45.284 -3.714 1.00 38.77 ? 104 PRO H N 1 ATOM 10854 C CA . PRO H 4 105 ? -11.875 44.449 -4.393 1.00 39.89 ? 104 PRO H CA 1 ATOM 10855 C C . PRO H 4 105 ? -11.281 43.453 -5.397 1.00 38.83 ? 104 PRO H C 1 ATOM 10856 O O . PRO H 4 105 ? -11.986 42.550 -5.856 1.00 39.74 ? 104 PRO H O 1 ATOM 10857 C CB . PRO H 4 105 ? -12.753 45.476 -5.104 1.00 42.36 ? 104 PRO H CB 1 ATOM 10858 C CG . PRO H 4 105 ? -11.838 46.610 -5.392 1.00 41.98 ? 104 PRO H CG 1 ATOM 10859 C CD . PRO H 4 105 ? -10.827 46.647 -4.278 1.00 40.04 ? 104 PRO H CD 1 ATOM 10860 N N . GLY H 4 106 ? -10.006 43.626 -5.737 1.00 37.22 ? 105 GLY H N 1 ATOM 10861 C CA . GLY H 4 106 ? -9.313 42.705 -6.634 1.00 36.72 ? 105 GLY H CA 1 ATOM 10862 C C . GLY H 4 106 ? -9.259 43.129 -8.091 1.00 37.88 ? 105 GLY H C 1 ATOM 10863 O O . GLY H 4 106 ? -10.135 43.844 -8.578 1.00 39.74 ? 105 GLY H O 1 ATOM 10864 N N . THR H 4 107 ? -8.218 42.673 -8.782 1.00 37.18 ? 106 THR H N 1 ATOM 10865 C CA . THR H 4 107 ? -8.017 42.955 -10.199 1.00 38.23 ? 106 THR H CA 1 ATOM 10866 C C . THR H 4 107 ? -7.794 41.652 -10.961 1.00 38.57 ? 106 THR H C 1 ATOM 10867 O O . THR H 4 107 ? -6.900 40.877 -10.621 1.00 37.51 ? 106 THR H O 1 ATOM 10868 C CB . THR H 4 107 ? -6.790 43.867 -10.424 1.00 37.53 ? 106 THR H CB 1 ATOM 10869 O OG1 . THR H 4 107 ? -6.992 45.123 -9.770 1.00 37.86 ? 106 THR H OG1 1 ATOM 10870 C CG2 . THR H 4 107 ? -6.551 44.106 -11.910 1.00 38.84 ? 106 THR H CG2 1 ATOM 10871 N N . ARG H 4 108 ? -8.605 41.415 -11.987 1.00 40.33 ? 107 ARG H N 1 ATOM 10872 C CA . ARG H 4 108 ? -8.363 40.299 -12.888 1.00 41.11 ? 107 ARG H CA 1 ATOM 10873 C C . ARG H 4 108 ? -7.428 40.764 -13.995 1.00 41.24 ? 107 ARG H C 1 ATOM 10874 O O . ARG H 4 108 ? -7.675 41.786 -14.636 1.00 42.29 ? 107 ARG H O 1 ATOM 10875 C CB . ARG H 4 108 ? -9.664 39.771 -13.496 1.00 43.45 ? 107 ARG H CB 1 ATOM 10876 C CG . ARG H 4 108 ? -10.849 39.704 -12.545 1.00 44.88 ? 107 ARG H CG 1 ATOM 10877 C CD . ARG H 4 108 ? -11.882 38.702 -13.046 1.00 48.77 ? 107 ARG H CD 1 ATOM 10878 N NE . ARG H 4 108 ? -13.247 39.032 -12.632 1.00 51.37 ? 107 ARG H NE 1 ATOM 10879 C CZ . ARG H 4 108 ? -13.743 38.844 -11.410 1.00 51.69 ? 107 ARG H CZ 1 ATOM 10880 N NH1 . ARG H 4 108 ? -12.985 38.338 -10.439 1.00 49.71 ? 107 ARG H NH1 1 ATOM 10881 N NH2 . ARG H 4 108 ? -15.004 39.177 -11.157 1.00 53.21 ? 107 ARG H NH2 1 ATOM 10882 N N . LEU H 4 109 ? -6.348 40.018 -14.203 1.00 40.54 ? 108 LEU H N 1 ATOM 10883 C CA . LEU H 4 109 ? -5.423 40.270 -15.302 1.00 41.00 ? 108 LEU H CA 1 ATOM 10884 C C . LEU H 4 109 ? -5.404 39.065 -16.235 1.00 42.44 ? 108 LEU H C 1 ATOM 10885 O O . LEU H 4 109 ? -5.351 37.921 -15.779 1.00 42.52 ? 108 LEU H O 1 ATOM 10886 C CB . LEU H 4 109 ? -4.010 40.554 -14.765 1.00 39.58 ? 108 LEU H CB 1 ATOM 10887 C CG . LEU H 4 109 ? -2.836 40.623 -15.754 1.00 40.14 ? 108 LEU H CG 1 ATOM 10888 C CD1 . LEU H 4 109 ? -2.825 41.921 -16.538 1.00 40.79 ? 108 LEU H CD1 1 ATOM 10889 C CD2 . LEU H 4 109 ? -1.513 40.430 -15.041 1.00 38.84 ? 108 LEU H CD2 1 ATOM 10890 N N . LEU H 4 110 ? -5.458 39.323 -17.538 1.00 43.97 ? 109 LEU H N 1 ATOM 10891 C CA . LEU H 4 110 ? -5.275 38.273 -18.532 1.00 45.60 ? 109 LEU H CA 1 ATOM 10892 C C . LEU H 4 110 ? -4.162 38.651 -19.491 1.00 46.40 ? 109 LEU H C 1 ATOM 10893 O O . LEU H 4 110 ? -4.199 39.717 -20.107 1.00 47.01 ? 109 LEU H O 1 ATOM 10894 C CB . LEU H 4 110 ? -6.571 38.000 -19.302 1.00 47.60 ? 109 LEU H CB 1 ATOM 10895 C CG . LEU H 4 110 ? -6.522 37.018 -20.483 1.00 49.75 ? 109 LEU H CG 1 ATOM 10896 C CD1 . LEU H 4 110 ? -6.090 35.617 -20.063 1.00 49.81 ? 109 LEU H CD1 1 ATOM 10897 C CD2 . LEU H 4 110 ? -7.866 36.965 -21.164 1.00 51.55 ? 109 LEU H CD2 1 ATOM 10898 N N . VAL H 4 111 ? -3.173 37.770 -19.607 1.00 46.75 ? 110 VAL H N 1 ATOM 10899 C CA . VAL H 4 111 ? -2.075 37.953 -20.549 1.00 47.88 ? 110 VAL H CA 1 ATOM 10900 C C . VAL H 4 111 ? -2.213 36.947 -21.692 1.00 50.40 ? 110 VAL H C 1 ATOM 10901 O O . VAL H 4 111 ? -2.230 35.732 -21.470 1.00 51.04 ? 110 VAL H O 1 ATOM 10902 C CB . VAL H 4 111 ? -0.698 37.815 -19.856 1.00 46.96 ? 110 VAL H CB 1 ATOM 10903 C CG1 . VAL H 4 111 ? 0.433 38.100 -20.834 1.00 48.61 ? 110 VAL H CG1 1 ATOM 10904 C CG2 . VAL H 4 111 ? -0.609 38.755 -18.666 1.00 44.74 ? 110 VAL H CG2 1 ATOM 10905 N N . LEU H 4 112 ? -2.330 37.470 -22.911 1.00 52.02 ? 111 LEU H N 1 ATOM 10906 C CA . LEU H 4 112 ? -2.473 36.653 -24.112 1.00 54.78 ? 111 LEU H CA 1 ATOM 10907 C C . LEU H 4 112 ? -1.163 36.591 -24.895 1.00 56.50 ? 111 LEU H C 1 ATOM 10908 O O . LEU H 4 112 ? -0.303 37.466 -24.756 1.00 55.70 ? 111 LEU H O 1 ATOM 10909 C CB . LEU H 4 112 ? -3.581 37.221 -25.007 1.00 56.10 ? 111 LEU H CB 1 ATOM 10910 C CG . LEU H 4 112 ? -5.034 37.227 -24.516 1.00 55.48 ? 111 LEU H CG 1 ATOM 10911 C CD1 . LEU H 4 112 ? -5.866 38.169 -25.364 1.00 56.62 ? 111 LEU H CD1 1 ATOM 10912 C CD2 . LEU H 4 112 ? -5.644 35.830 -24.536 1.00 56.91 ? 111 LEU H CD2 1 ATOM 10913 N N . GLU H 4 113 ? -1.017 35.550 -25.714 1.00 59.16 ? 112 GLU H N 1 ATOM 10914 C CA . GLU H 4 113 ? 0.117 35.436 -26.634 1.00 61.63 ? 112 GLU H CA 1 ATOM 10915 C C . GLU H 4 113 ? 0.045 36.525 -27.700 1.00 62.80 ? 112 GLU H C 1 ATOM 10916 O O . GLU H 4 113 ? 1.054 37.140 -28.043 1.00 63.44 ? 112 GLU H O 1 ATOM 10917 C CB . GLU H 4 113 ? 0.151 34.051 -27.293 1.00 64.66 ? 112 GLU H CB 1 ATOM 10918 C CG . GLU H 4 113 ? 0.515 32.911 -26.348 1.00 64.61 ? 112 GLU H CG 1 ATOM 10919 N N . ASP H 4 114 ? -1.163 36.755 -28.209 1.00 74.94 ? 113 ASP H N 1 ATOM 10920 C CA . ASP H 4 114 ? -1.424 37.788 -29.201 1.00 74.15 ? 113 ASP H CA 1 ATOM 10921 C C . ASP H 4 114 ? -2.828 38.331 -28.979 1.00 69.89 ? 113 ASP H C 1 ATOM 10922 O O . ASP H 4 114 ? -3.700 37.619 -28.483 1.00 68.32 ? 113 ASP H O 1 ATOM 10923 C CB . ASP H 4 114 ? -1.295 37.213 -30.616 1.00 77.52 ? 113 ASP H CB 1 ATOM 10924 C CG . ASP H 4 114 ? -0.961 38.274 -31.660 1.00 78.76 ? 113 ASP H CG 1 ATOM 10925 O OD1 . ASP H 4 114 ? -1.035 39.483 -31.351 1.00 77.07 ? 113 ASP H OD1 1 ATOM 10926 O OD2 . ASP H 4 114 ? -0.620 37.892 -32.801 1.00 82.29 ? 113 ASP H OD2 1 ATOM 10927 N N . LEU H 4 115 ? -3.042 39.593 -29.341 1.00 68.44 ? 114 LEU H N 1 ATOM 10928 C CA . LEU H 4 115 ? -4.353 40.228 -29.198 1.00 64.90 ? 114 LEU H CA 1 ATOM 10929 C C . LEU H 4 115 ? -5.133 40.223 -30.517 1.00 65.34 ? 114 LEU H C 1 ATOM 10930 O O . LEU H 4 115 ? -6.042 41.034 -30.713 1.00 63.08 ? 114 LEU H O 1 ATOM 10931 C CB . LEU H 4 115 ? -4.204 41.666 -28.679 1.00 63.30 ? 114 LEU H CB 1 ATOM 10932 C CG . LEU H 4 115 ? -3.395 41.943 -27.406 1.00 63.34 ? 114 LEU H CG 1 ATOM 10933 C CD1 . LEU H 4 115 ? -3.005 43.413 -27.341 1.00 63.37 ? 114 LEU H CD1 1 ATOM 10934 C CD2 . LEU H 4 115 ? -4.136 41.527 -26.142 1.00 60.54 ? 114 LEU H CD2 1 ATOM 10935 N N . ARG H 4 116 ? -4.777 39.297 -31.406 1.00 68.61 ? 115 ARG H N 1 ATOM 10936 C CA . ARG H 4 116 ? -5.343 39.222 -32.756 1.00 70.07 ? 115 ARG H CA 1 ATOM 10937 C C . ARG H 4 116 ? -6.850 38.946 -32.783 1.00 67.71 ? 115 ARG H C 1 ATOM 10938 O O . ARG H 4 116 ? -7.572 39.513 -33.606 1.00 67.45 ? 115 ARG H O 1 ATOM 10939 C CB . ARG H 4 116 ? -4.596 38.176 -33.593 1.00 74.43 ? 115 ARG H CB 1 ATOM 10940 N N . ASN H 4 117 ? -7.314 38.086 -31.878 1.00 66.33 ? 116 ASN H N 1 ATOM 10941 C CA . ASN H 4 117 ? -8.709 37.637 -31.872 1.00 64.65 ? 116 ASN H CA 1 ATOM 10942 C C . ASN H 4 117 ? -9.675 38.538 -31.099 1.00 60.45 ? 116 ASN H C 1 ATOM 10943 O O . ASN H 4 117 ? -10.883 38.494 -31.341 1.00 59.20 ? 116 ASN H O 1 ATOM 10944 C CB . ASN H 4 117 ? -8.813 36.200 -31.347 1.00 65.85 ? 116 ASN H CB 1 ATOM 10945 C CG . ASN H 4 117 ? -8.124 35.191 -32.248 1.00 70.98 ? 116 ASN H CG 1 ATOM 10946 O OD1 . ASN H 4 117 ? -8.338 35.168 -33.463 1.00 73.77 ? 116 ASN H OD1 1 ATOM 10947 N ND2 . ASN H 4 117 ? -7.300 34.338 -31.650 1.00 73.44 ? 116 ASN H ND2 1 ATOM 10948 N N . VAL H 4 118 ? -9.141 39.343 -30.178 1.00 58.65 ? 117 VAL H N 1 ATOM 10949 C CA . VAL H 4 118 ? -9.950 40.198 -29.294 1.00 54.98 ? 117 VAL H CA 1 ATOM 10950 C C . VAL H 4 118 ? -11.051 40.944 -30.054 1.00 53.85 ? 117 VAL H C 1 ATOM 10951 O O . VAL H 4 118 ? -10.775 41.657 -31.016 1.00 55.29 ? 117 VAL H O 1 ATOM 10952 C CB . VAL H 4 118 ? -9.072 41.199 -28.498 1.00 54.24 ? 117 VAL H CB 1 ATOM 10953 C CG1 . VAL H 4 118 ? -9.936 42.116 -27.634 1.00 51.00 ? 117 VAL H CG1 1 ATOM 10954 C CG2 . VAL H 4 118 ? -8.065 40.454 -27.634 1.00 55.24 ? 117 VAL H CG2 1 ATOM 10955 N N . THR H 4 119 ? -12.295 40.757 -29.618 1.00 51.60 ? 118 THR H N 1 ATOM 10956 C CA . THR H 4 119 ? -13.455 41.334 -30.299 1.00 50.92 ? 118 THR H CA 1 ATOM 10957 C C . THR H 4 119 ? -14.602 41.675 -29.330 1.00 47.83 ? 118 THR H C 1 ATOM 10958 O O . THR H 4 119 ? -14.908 40.886 -28.433 1.00 46.78 ? 118 THR H O 1 ATOM 10959 C CB . THR H 4 119 ? -13.951 40.422 -31.470 1.00 53.22 ? 118 THR H CB 1 ATOM 10960 O OG1 . THR H 4 119 ? -15.196 40.914 -31.979 1.00 52.76 ? 118 THR H OG1 1 ATOM 10961 C CG2 . THR H 4 119 ? -14.129 38.973 -31.025 1.00 53.85 ? 118 THR H CG2 1 ATOM 10962 N N . PRO H 4 120 ? -15.231 42.858 -29.509 1.00 46.74 ? 119 PRO H N 1 ATOM 10963 C CA . PRO H 4 120 ? -16.347 43.326 -28.673 1.00 44.19 ? 119 PRO H CA 1 ATOM 10964 C C . PRO H 4 120 ? -17.605 42.459 -28.806 1.00 43.72 ? 119 PRO H C 1 ATOM 10965 O O . PRO H 4 120 ? -17.775 41.782 -29.821 1.00 45.73 ? 119 PRO H O 1 ATOM 10966 C CB . PRO H 4 120 ? -16.631 44.732 -29.222 1.00 44.33 ? 119 PRO H CB 1 ATOM 10967 C CG . PRO H 4 120 ? -15.398 45.126 -29.948 1.00 46.59 ? 119 PRO H CG 1 ATOM 10968 C CD . PRO H 4 120 ? -14.862 43.863 -30.522 1.00 48.32 ? 119 PRO H CD 1 ATOM 10969 N N . PRO H 4 121 ? -18.488 42.484 -27.791 1.00 41.55 ? 120 PRO H N 1 ATOM 10970 C CA . PRO H 4 121 ? -19.721 41.703 -27.846 1.00 41.36 ? 120 PRO H CA 1 ATOM 10971 C C . PRO H 4 121 ? -20.836 42.374 -28.642 1.00 41.63 ? 120 PRO H C 1 ATOM 10972 O O . PRO H 4 121 ? -20.824 43.593 -28.837 1.00 41.32 ? 120 PRO H O 1 ATOM 10973 C CB . PRO H 4 121 ? -20.134 41.607 -26.378 1.00 39.25 ? 120 PRO H CB 1 ATOM 10974 C CG . PRO H 4 121 ? -19.598 42.839 -25.759 1.00 38.09 ? 120 PRO H CG 1 ATOM 10975 C CD . PRO H 4 121 ? -18.340 43.185 -26.502 1.00 39.68 ? 120 PRO H CD 1 ATOM 10976 N N . LYS H 4 122 ? -21.780 41.560 -29.105 1.00 42.54 ? 121 LYS H N 1 ATOM 10977 C CA . LYS H 4 122 ? -23.036 42.051 -29.652 1.00 42.87 ? 121 LYS H CA 1 ATOM 10978 C C . LYS H 4 122 ? -24.126 41.731 -28.639 1.00 41.20 ? 121 LYS H C 1 ATOM 10979 O O . LYS H 4 122 ? -24.250 40.588 -28.188 1.00 41.54 ? 121 LYS H O 1 ATOM 10980 C CB . LYS H 4 122 ? -23.340 41.411 -31.009 1.00 45.67 ? 121 LYS H CB 1 ATOM 10981 C CG . LYS H 4 122 ? -22.384 41.845 -32.110 1.00 48.34 ? 121 LYS H CG 1 ATOM 10982 C CD . LYS H 4 122 ? -23.008 41.724 -33.488 1.00 52.04 ? 121 LYS H CD 1 ATOM 10983 C CE . LYS H 4 122 ? -22.121 42.377 -34.542 1.00 54.97 ? 121 LYS H CE 1 ATOM 10984 N NZ . LYS H 4 122 ? -22.656 42.215 -35.928 1.00 58.72 ? 121 LYS H NZ 1 ATOM 10985 N N . VAL H 4 123 ? -24.898 42.747 -28.267 1.00 39.81 ? 122 VAL H N 1 ATOM 10986 C CA . VAL H 4 123 ? -25.866 42.613 -27.187 1.00 38.05 ? 122 VAL H CA 1 ATOM 10987 C C . VAL H 4 123 ? -27.293 42.767 -27.701 1.00 38.83 ? 122 VAL H C 1 ATOM 10988 O O . VAL H 4 123 ? -27.634 43.781 -28.307 1.00 39.58 ? 122 VAL H O 1 ATOM 10989 C CB . VAL H 4 123 ? -25.590 43.632 -26.061 1.00 36.16 ? 122 VAL H CB 1 ATOM 10990 C CG1 . VAL H 4 123 ? -26.573 43.458 -24.912 1.00 35.04 ? 122 VAL H CG1 1 ATOM 10991 C CG2 . VAL H 4 123 ? -24.172 43.485 -25.554 1.00 35.77 ? 122 VAL H CG2 1 ATOM 10992 N N . SER H 4 124 ? -28.111 41.746 -27.460 1.00 39.10 ? 123 SER H N 1 ATOM 10993 C CA . SER H 4 124 ? -29.533 41.784 -27.788 1.00 39.91 ? 123 SER H CA 1 ATOM 10994 C C . SER H 4 124 ? -30.387 41.625 -26.537 1.00 38.57 ? 123 SER H C 1 ATOM 10995 O O . SER H 4 124 ? -30.030 40.886 -25.617 1.00 37.72 ? 123 SER H O 1 ATOM 10996 C CB . SER H 4 124 ? -29.877 40.694 -28.795 1.00 42.35 ? 123 SER H CB 1 ATOM 10997 O OG . SER H 4 124 ? -29.250 40.951 -30.037 1.00 44.39 ? 123 SER H OG 1 ATOM 10998 N N . LEU H 4 125 ? -31.515 42.329 -26.511 1.00 38.74 ? 124 LEU H N 1 ATOM 10999 C CA . LEU H 4 125 ? -32.444 42.263 -25.389 1.00 37.84 ? 124 LEU H CA 1 ATOM 11000 C C . LEU H 4 125 ? -33.758 41.648 -25.847 1.00 39.61 ? 124 LEU H C 1 ATOM 11001 O O . LEU H 4 125 ? -34.345 42.082 -26.837 1.00 41.23 ? 124 LEU H O 1 ATOM 11002 C CB . LEU H 4 125 ? -32.670 43.655 -24.785 1.00 36.89 ? 124 LEU H CB 1 ATOM 11003 C CG . LEU H 4 125 ? -33.586 43.807 -23.564 1.00 36.19 ? 124 LEU H CG 1 ATOM 11004 C CD1 . LEU H 4 125 ? -33.160 42.888 -22.438 1.00 35.81 ? 124 LEU H CD1 1 ATOM 11005 C CD2 . LEU H 4 125 ? -33.598 45.239 -23.085 1.00 35.37 ? 124 LEU H CD2 1 ATOM 11006 N N . PHE H 4 126 ? -34.207 40.634 -25.115 1.00 39.67 ? 125 PHE H N 1 ATOM 11007 C CA . PHE H 4 126 ? -35.389 39.870 -25.483 1.00 41.56 ? 125 PHE H CA 1 ATOM 11008 C C . PHE H 4 126 ? -36.542 40.178 -24.534 1.00 41.31 ? 125 PHE H C 1 ATOM 11009 O O . PHE H 4 126 ? -36.434 39.982 -23.319 1.00 40.10 ? 125 PHE H O 1 ATOM 11010 C CB . PHE H 4 126 ? -35.066 38.374 -25.516 1.00 42.58 ? 125 PHE H CB 1 ATOM 11011 C CG . PHE H 4 126 ? -34.088 37.995 -26.590 1.00 43.42 ? 125 PHE H CG 1 ATOM 11012 C CD1 . PHE H 4 126 ? -32.723 38.210 -26.418 1.00 41.65 ? 125 PHE H CD1 1 ATOM 11013 C CD2 . PHE H 4 126 ? -34.530 37.431 -27.784 1.00 46.28 ? 125 PHE H CD2 1 ATOM 11014 C CE1 . PHE H 4 126 ? -31.815 37.868 -27.419 1.00 42.97 ? 125 PHE H CE1 1 ATOM 11015 C CE2 . PHE H 4 126 ? -33.629 37.085 -28.790 1.00 47.26 ? 125 PHE H CE2 1 ATOM 11016 C CZ . PHE H 4 126 ? -32.270 37.303 -28.607 1.00 45.58 ? 125 PHE H CZ 1 ATOM 11017 N N . GLU H 4 127 ? -37.635 40.672 -25.113 1.00 42.78 ? 126 GLU H N 1 ATOM 11018 C CA . GLU H 4 127 ? -38.815 41.103 -24.370 1.00 43.00 ? 126 GLU H CA 1 ATOM 11019 C C . GLU H 4 127 ? -39.599 39.911 -23.825 1.00 44.06 ? 126 GLU H C 1 ATOM 11020 O O . GLU H 4 127 ? -39.635 38.855 -24.462 1.00 45.82 ? 126 GLU H O 1 ATOM 11021 C CB . GLU H 4 127 ? -39.716 41.970 -25.257 1.00 44.84 ? 126 GLU H CB 1 ATOM 11022 C CG . GLU H 4 127 ? -39.149 43.355 -25.566 1.00 44.77 ? 126 GLU H CG 1 ATOM 11023 C CD . GLU H 4 127 ? -40.036 44.182 -26.492 1.00 48.62 ? 126 GLU H CD 1 ATOM 11024 O OE1 . GLU H 4 127 ? -41.243 43.873 -26.636 1.00 50.98 ? 126 GLU H OE1 1 ATOM 11025 O OE2 . GLU H 4 127 ? -39.519 45.158 -27.077 1.00 49.46 ? 126 GLU H OE2 1 ATOM 11026 N N . PRO H 4 128 ? -40.224 40.078 -22.640 1.00 43.35 ? 127 PRO H N 1 ATOM 11027 C CA . PRO H 4 128 ? -41.016 39.046 -21.968 1.00 44.60 ? 127 PRO H CA 1 ATOM 11028 C C . PRO H 4 128 ? -42.145 38.475 -22.821 1.00 47.51 ? 127 PRO H C 1 ATOM 11029 O O . PRO H 4 128 ? -42.727 39.186 -23.640 1.00 48.54 ? 127 PRO H O 1 ATOM 11030 C CB . PRO H 4 128 ? -41.609 39.793 -20.775 1.00 43.78 ? 127 PRO H CB 1 ATOM 11031 C CG . PRO H 4 128 ? -40.634 40.847 -20.480 1.00 41.48 ? 127 PRO H CG 1 ATOM 11032 C CD . PRO H 4 128 ? -40.095 41.284 -21.803 1.00 41.54 ? 127 PRO H CD 1 ATOM 11033 N N . SER H 4 129 ? -42.442 37.195 -22.608 1.00 49.17 ? 128 SER H N 1 ATOM 11034 C CA . SER H 4 129 ? -43.510 36.491 -23.312 1.00 52.38 ? 128 SER H CA 1 ATOM 11035 C C . SER H 4 129 ? -44.889 36.875 -22.783 1.00 53.53 ? 128 SER H C 1 ATOM 11036 O O . SER H 4 129 ? -45.092 36.982 -21.571 1.00 52.43 ? 128 SER H O 1 ATOM 11037 C CB . SER H 4 129 ? -43.307 34.979 -23.180 1.00 54.19 ? 128 SER H CB 1 ATOM 11038 O OG . SER H 4 129 ? -44.429 34.254 -23.652 1.00 57.91 ? 128 SER H OG 1 ATOM 11039 N N . LYS H 4 130 ? -45.830 37.074 -23.704 1.00 56.06 ? 129 LYS H N 1 ATOM 11040 C CA . LYS H 4 130 ? -47.227 37.348 -23.360 1.00 57.93 ? 129 LYS H CA 1 ATOM 11041 C C . LYS H 4 130 ? -47.824 36.190 -22.564 1.00 59.71 ? 129 LYS H C 1 ATOM 11042 O O . LYS H 4 130 ? -48.628 36.400 -21.651 1.00 60.04 ? 129 LYS H O 1 ATOM 11043 C CB . LYS H 4 130 ? -48.053 37.603 -24.624 1.00 60.82 ? 129 LYS H CB 1 ATOM 11044 N N . ALA H 4 131 ? -47.412 34.974 -22.918 1.00 61.15 ? 130 ALA H N 1 ATOM 11045 C CA . ALA H 4 131 ? -47.840 33.760 -22.232 1.00 63.39 ? 130 ALA H CA 1 ATOM 11046 C C . ALA H 4 131 ? -47.377 33.725 -20.774 1.00 61.26 ? 130 ALA H C 1 ATOM 11047 O O . ALA H 4 131 ? -48.142 33.333 -19.892 1.00 62.82 ? 130 ALA H O 1 ATOM 11048 C CB . ALA H 4 131 ? -47.346 32.532 -22.979 1.00 65.56 ? 130 ALA H CB 1 ATOM 11049 N N . GLU H 4 132 ? -46.133 34.140 -20.528 1.00 58.05 ? 131 GLU H N 1 ATOM 11050 C CA . GLU H 4 132 ? -45.594 34.193 -19.171 1.00 56.09 ? 131 GLU H CA 1 ATOM 11051 C C . GLU H 4 132 ? -46.380 35.166 -18.295 1.00 55.51 ? 131 GLU H C 1 ATOM 11052 O O . GLU H 4 132 ? -46.764 34.828 -17.173 1.00 56.40 ? 131 GLU H O 1 ATOM 11053 C CB . GLU H 4 132 ? -44.114 34.577 -19.179 1.00 52.96 ? 131 GLU H CB 1 ATOM 11054 C CG . GLU H 4 132 ? -43.432 34.356 -17.832 1.00 51.36 ? 131 GLU H CG 1 ATOM 11055 C CD . GLU H 4 132 ? -42.240 35.259 -17.595 1.00 47.75 ? 131 GLU H CD 1 ATOM 11056 O OE1 . GLU H 4 132 ? -41.840 36.000 -18.519 1.00 46.65 ? 131 GLU H OE1 1 ATOM 11057 O OE2 . GLU H 4 132 ? -41.704 35.227 -16.468 1.00 46.51 ? 131 GLU H OE2 1 ATOM 11058 N N . ILE H 4 133 ? -46.607 36.367 -18.822 1.00 54.46 ? 132 ILE H N 1 ATOM 11059 C CA . ILE H 4 133 ? -47.383 37.407 -18.148 1.00 54.26 ? 132 ILE H CA 1 ATOM 11060 C C . ILE H 4 133 ? -48.757 36.875 -17.730 1.00 57.41 ? 132 ILE H C 1 ATOM 11061 O O . ILE H 4 133 ? -49.184 37.060 -16.588 1.00 57.63 ? 132 ILE H O 1 ATOM 11062 C CB . ILE H 4 133 ? -47.536 38.662 -19.057 1.00 53.73 ? 132 ILE H CB 1 ATOM 11063 C CG1 . ILE H 4 133 ? -46.170 39.309 -19.315 1.00 50.89 ? 132 ILE H CG1 1 ATOM 11064 C CG2 . ILE H 4 133 ? -48.501 39.677 -18.446 1.00 54.41 ? 132 ILE H CG2 1 ATOM 11065 C CD1 . ILE H 4 133 ? -46.132 40.236 -20.520 1.00 51.12 ? 132 ILE H CD1 1 ATOM 11066 N N . SER H 4 134 ? -49.430 36.202 -18.660 1.00 60.10 ? 133 SER H N 1 ATOM 11067 C CA . SER H 4 134 ? -50.763 35.659 -18.426 1.00 63.50 ? 133 SER H CA 1 ATOM 11068 C C . SER H 4 134 ? -50.754 34.496 -17.429 1.00 64.74 ? 133 SER H C 1 ATOM 11069 O O . SER H 4 134 ? -51.671 34.364 -16.617 1.00 66.61 ? 133 SER H O 1 ATOM 11070 C CB . SER H 4 134 ? -51.386 35.218 -19.754 1.00 66.41 ? 133 SER H CB 1 ATOM 11071 O OG . SER H 4 134 ? -52.706 34.738 -19.570 1.00 70.16 ? 133 SER H OG 1 ATOM 11072 N N . HIS H 4 135 ? -49.709 33.672 -17.488 1.00 63.96 ? 134 HIS H N 1 ATOM 11073 C CA . HIS H 4 135 ? -49.648 32.425 -16.720 1.00 65.89 ? 134 HIS H CA 1 ATOM 11074 C C . HIS H 4 135 ? -49.048 32.583 -15.321 1.00 64.00 ? 134 HIS H C 1 ATOM 11075 O O . HIS H 4 135 ? -49.446 31.875 -14.392 1.00 66.08 ? 134 HIS H O 1 ATOM 11076 C CB . HIS H 4 135 ? -48.887 31.351 -17.512 1.00 66.92 ? 134 HIS H CB 1 ATOM 11077 C CG . HIS H 4 135 ? -48.926 29.989 -16.888 1.00 69.78 ? 134 HIS H CG 1 ATOM 11078 N ND1 . HIS H 4 135 ? -50.066 29.215 -16.859 1.00 74.15 ? 134 HIS H ND1 1 ATOM 11079 C CD2 . HIS H 4 135 ? -47.959 29.259 -16.283 1.00 69.47 ? 134 HIS H CD2 1 ATOM 11080 C CE1 . HIS H 4 135 ? -49.801 28.069 -16.256 1.00 76.46 ? 134 HIS H CE1 1 ATOM 11081 N NE2 . HIS H 4 135 ? -48.530 28.071 -15.897 1.00 73.63 ? 134 HIS H NE2 1 ATOM 11082 N N . THR H 4 136 ? -48.102 33.508 -15.173 1.00 60.41 ? 135 THR H N 1 ATOM 11083 C CA . THR H 4 136 ? -47.375 33.674 -13.910 1.00 58.84 ? 135 THR H CA 1 ATOM 11084 C C . THR H 4 136 ? -47.561 35.047 -13.272 1.00 57.07 ? 135 THR H C 1 ATOM 11085 O O . THR H 4 136 ? -47.186 35.251 -12.117 1.00 56.47 ? 135 THR H O 1 ATOM 11086 C CB . THR H 4 136 ? -45.854 33.425 -14.082 1.00 56.59 ? 135 THR H CB 1 ATOM 11087 O OG1 . THR H 4 136 ? -45.299 34.401 -14.974 1.00 53.82 ? 135 THR H OG1 1 ATOM 11088 C CG2 . THR H 4 136 ? -45.583 32.023 -14.620 1.00 58.96 ? 135 THR H CG2 1 ATOM 11089 N N . GLN H 4 137 ? -48.138 35.979 -14.026 1.00 56.79 ? 136 GLN H N 1 ATOM 11090 C CA . GLN H 4 137 ? -48.219 37.389 -13.625 1.00 55.43 ? 136 GLN H CA 1 ATOM 11091 C C . GLN H 4 137 ? -46.833 37.969 -13.328 1.00 52.40 ? 136 GLN H C 1 ATOM 11092 O O . GLN H 4 137 ? -46.685 38.888 -12.520 1.00 51.57 ? 136 GLN H O 1 ATOM 11093 C CB . GLN H 4 137 ? -49.197 37.598 -12.459 1.00 57.36 ? 136 GLN H CB 1 ATOM 11094 C CG . GLN H 4 137 ? -50.667 37.329 -12.812 1.00 61.03 ? 136 GLN H CG 1 ATOM 11095 C CD . GLN H 4 137 ? -51.164 38.136 -14.014 1.00 61.83 ? 136 GLN H CD 1 ATOM 11096 O OE1 . GLN H 4 137 ? -51.700 37.575 -14.971 1.00 63.82 ? 136 GLN H OE1 1 ATOM 11097 N NE2 . GLN H 4 137 ? -50.983 39.455 -13.966 1.00 60.40 ? 136 GLN H NE2 1 ATOM 11098 N N . LYS H 4 138 ? -45.830 37.410 -14.005 1.00 51.29 ? 137 LYS H N 1 ATOM 11099 C CA . LYS H 4 138 ? -44.440 37.858 -13.933 1.00 48.60 ? 137 LYS H CA 1 ATOM 11100 C C . LYS H 4 138 ? -43.854 37.954 -15.339 1.00 47.50 ? 137 LYS H C 1 ATOM 11101 O O . LYS H 4 138 ? -44.337 37.295 -16.264 1.00 49.21 ? 137 LYS H O 1 ATOM 11102 C CB . LYS H 4 138 ? -43.617 36.899 -13.074 1.00 48.58 ? 137 LYS H CB 1 ATOM 11103 C CG . LYS H 4 138 ? -43.819 37.105 -11.586 1.00 49.34 ? 137 LYS H CG 1 ATOM 11104 C CD . LYS H 4 138 ? -43.615 35.826 -10.807 1.00 51.49 ? 137 LYS H CD 1 ATOM 11105 C CE . LYS H 4 138 ? -44.191 35.961 -9.410 1.00 53.36 ? 137 LYS H CE 1 ATOM 11106 N NZ . LYS H 4 138 ? -44.402 34.634 -8.782 1.00 56.63 ? 137 LYS H NZ 1 ATOM 11107 N N . ALA H 4 139 ? -42.817 38.773 -15.495 1.00 45.14 ? 138 ALA H N 1 ATOM 11108 C CA . ALA H 4 139 ? -42.231 39.051 -16.808 1.00 44.22 ? 138 ALA H CA 1 ATOM 11109 C C . ALA H 4 139 ? -40.706 38.953 -16.788 1.00 42.29 ? 138 ALA H C 1 ATOM 11110 O O . ALA H 4 139 ? -40.044 39.659 -16.019 1.00 40.80 ? 138 ALA H O 1 ATOM 11111 C CB . ALA H 4 139 ? -42.672 40.427 -17.293 1.00 43.96 ? 138 ALA H CB 1 ATOM 11112 N N . THR H 4 140 ? -40.156 38.084 -17.637 1.00 42.58 ? 139 THR H N 1 ATOM 11113 C CA . THR H 4 140 ? -38.712 37.836 -17.662 1.00 41.24 ? 139 THR H CA 1 ATOM 11114 C C . THR H 4 140 ? -38.050 38.379 -18.925 1.00 40.42 ? 139 THR H C 1 ATOM 11115 O O . THR H 4 140 ? -38.356 37.947 -20.035 1.00 41.89 ? 139 THR H O 1 ATOM 11116 C CB . THR H 4 140 ? -38.375 36.332 -17.519 1.00 42.79 ? 139 THR H CB 1 ATOM 11117 O OG1 . THR H 4 140 ? -39.163 35.751 -16.472 1.00 44.49 ? 139 THR H OG1 1 ATOM 11118 C CG2 . THR H 4 140 ? -36.896 36.137 -17.195 1.00 41.65 ? 139 THR H CG2 1 ATOM 11119 N N . LEU H 4 141 ? -37.141 39.332 -18.738 1.00 38.55 ? 140 LEU H N 1 ATOM 11120 C CA . LEU H 4 141 ? -36.346 39.892 -19.827 1.00 37.74 ? 140 LEU H CA 1 ATOM 11121 C C . LEU H 4 141 ? -35.040 39.125 -19.917 1.00 37.32 ? 140 LEU H C 1 ATOM 11122 O O . LEU H 4 141 ? -34.408 38.854 -18.898 1.00 36.63 ? 140 LEU H O 1 ATOM 11123 C CB . LEU H 4 141 ? -36.052 41.375 -19.580 1.00 36.37 ? 140 LEU H CB 1 ATOM 11124 C CG . LEU H 4 141 ? -37.193 42.398 -19.556 1.00 36.83 ? 140 LEU H CG 1 ATOM 11125 C CD1 . LEU H 4 141 ? -37.935 42.402 -18.229 1.00 36.41 ? 140 LEU H CD1 1 ATOM 11126 C CD2 . LEU H 4 141 ? -36.632 43.772 -19.833 1.00 36.28 ? 140 LEU H CD2 1 ATOM 11127 N N . VAL H 4 142 ? -34.645 38.768 -21.135 1.00 38.17 ? 141 VAL H N 1 ATOM 11128 C CA . VAL H 4 142 ? -33.420 37.995 -21.360 1.00 38.29 ? 141 VAL H CA 1 ATOM 11129 C C . VAL H 4 142 ? -32.430 38.786 -22.216 1.00 37.67 ? 141 VAL H C 1 ATOM 11130 O O . VAL H 4 142 ? -32.803 39.383 -23.225 1.00 38.07 ? 141 VAL H O 1 ATOM 11131 C CB . VAL H 4 142 ? -33.720 36.595 -21.977 1.00 40.59 ? 141 VAL H CB 1 ATOM 11132 C CG1 . VAL H 4 142 ? -32.447 35.909 -22.452 1.00 41.14 ? 141 VAL H CG1 1 ATOM 11133 C CG2 . VAL H 4 142 ? -34.430 35.715 -20.968 1.00 41.34 ? 141 VAL H CG2 1 ATOM 11134 N N . CYS H 4 143 ? -31.171 38.791 -21.784 1.00 36.98 ? 142 CYS H N 1 ATOM 11135 C CA . CYS H 4 143 ? -30.098 39.474 -22.496 1.00 36.75 ? 142 CYS H CA 1 ATOM 11136 C C . CYS H 4 143 ? -29.011 38.517 -22.987 1.00 37.68 ? 142 CYS H C 1 ATOM 11137 O O . CYS H 4 143 ? -28.484 37.722 -22.213 1.00 37.99 ? 142 CYS H O 1 ATOM 11138 C CB . CYS H 4 143 ? -29.467 40.532 -21.604 1.00 35.04 ? 142 CYS H CB 1 ATOM 11139 S SG . CYS H 4 143 ? -28.095 41.344 -22.401 1.00 36.48 ? 142 CYS H SG 1 ATOM 11140 N N . LEU H 4 144 ? -28.674 38.613 -24.270 1.00 38.63 ? 143 LEU H N 1 ATOM 11141 C CA . LEU H 4 144 ? -27.611 37.798 -24.855 1.00 39.91 ? 143 LEU H CA 1 ATOM 11142 C C . LEU H 4 144 ? -26.427 38.651 -25.272 1.00 39.29 ? 143 LEU H C 1 ATOM 11143 O O . LEU H 4 144 ? -26.562 39.549 -26.103 1.00 39.51 ? 143 LEU H O 1 ATOM 11144 C CB . LEU H 4 144 ? -28.113 37.033 -26.081 1.00 42.43 ? 143 LEU H CB 1 ATOM 11145 C CG . LEU H 4 144 ? -29.052 35.834 -25.954 1.00 44.36 ? 143 LEU H CG 1 ATOM 11146 C CD1 . LEU H 4 144 ? -29.203 35.193 -27.324 1.00 47.45 ? 143 LEU H CD1 1 ATOM 11147 C CD2 . LEU H 4 144 ? -28.557 34.808 -24.941 1.00 44.61 ? 143 LEU H CD2 1 ATOM 11148 N N . ALA H 4 145 ? -25.269 38.369 -24.688 1.00 38.89 ? 144 ALA H N 1 ATOM 11149 C CA . ALA H 4 145 ? -24.019 38.958 -25.138 1.00 38.82 ? 144 ALA H CA 1 ATOM 11150 C C . ALA H 4 145 ? -23.310 37.901 -25.972 1.00 41.25 ? 144 ALA H C 1 ATOM 11151 O O . ALA H 4 145 ? -23.019 36.811 -25.480 1.00 42.35 ? 144 ALA H O 1 ATOM 11152 C CB . ALA H 4 145 ? -23.176 39.373 -23.954 1.00 37.36 ? 144 ALA H CB 1 ATOM 11153 N N . THR H 4 146 ? -23.048 38.210 -27.239 1.00 42.48 ? 145 THR H N 1 ATOM 11154 C CA . THR H 4 146 ? -22.539 37.203 -28.174 1.00 45.14 ? 145 THR H CA 1 ATOM 11155 C C . THR H 4 146 ? -21.294 37.640 -28.951 1.00 46.21 ? 145 THR H C 1 ATOM 11156 O O . THR H 4 146 ? -21.071 38.832 -29.176 1.00 45.15 ? 145 THR H O 1 ATOM 11157 C CB . THR H 4 146 ? -23.632 36.773 -29.189 1.00 47.09 ? 145 THR H CB 1 ATOM 11158 O OG1 . THR H 4 146 ? -24.139 37.926 -29.876 1.00 46.44 ? 145 THR H OG1 1 ATOM 11159 C CG2 . THR H 4 146 ? -24.781 36.059 -28.489 1.00 46.76 ? 145 THR H CG2 1 ATOM 11160 N N . GLY H 4 147 ? -20.492 36.654 -29.349 1.00 48.61 ? 146 GLY H N 1 ATOM 11161 C CA . GLY H 4 147 ? -19.384 36.855 -30.283 1.00 50.49 ? 146 GLY H CA 1 ATOM 11162 C C . GLY H 4 147 ? -18.189 37.626 -29.759 1.00 49.23 ? 146 GLY H C 1 ATOM 11163 O O . GLY H 4 147 ? -17.446 38.219 -30.540 1.00 50.32 ? 146 GLY H O 1 ATOM 11164 N N . PHE H 4 148 ? -17.990 37.607 -28.444 1.00 47.37 ? 147 PHE H N 1 ATOM 11165 C CA . PHE H 4 148 ? -16.904 38.367 -27.827 1.00 46.47 ? 147 PHE H CA 1 ATOM 11166 C C . PHE H 4 148 ? -15.712 37.510 -27.396 1.00 48.18 ? 147 PHE H C 1 ATOM 11167 O O . PHE H 4 148 ? -15.867 36.338 -27.049 1.00 49.26 ? 147 PHE H O 1 ATOM 11168 C CB . PHE H 4 148 ? -17.420 39.214 -26.655 1.00 43.43 ? 147 PHE H CB 1 ATOM 11169 C CG . PHE H 4 148 ? -17.998 38.410 -25.519 1.00 42.67 ? 147 PHE H CG 1 ATOM 11170 C CD1 . PHE H 4 148 ? -19.336 38.021 -25.532 1.00 42.35 ? 147 PHE H CD1 1 ATOM 11171 C CD2 . PHE H 4 148 ? -17.210 38.060 -24.426 1.00 42.38 ? 147 PHE H CD2 1 ATOM 11172 C CE1 . PHE H 4 148 ? -19.872 37.279 -24.481 1.00 42.02 ? 147 PHE H CE1 1 ATOM 11173 C CE2 . PHE H 4 148 ? -17.736 37.321 -23.372 1.00 42.13 ? 147 PHE H CE2 1 ATOM 11174 C CZ . PHE H 4 148 ? -19.070 36.929 -23.398 1.00 41.87 ? 147 PHE H CZ 1 ATOM 11175 N N . TYR H 4 149 ? -14.528 38.116 -27.431 1.00 48.75 ? 148 TYR H N 1 ATOM 11176 C CA . TYR H 4 149 ? -13.293 37.481 -26.986 1.00 50.62 ? 148 TYR H CA 1 ATOM 11177 C C . TYR H 4 149 ? -12.363 38.537 -26.391 1.00 49.88 ? 148 TYR H C 1 ATOM 11178 O O . TYR H 4 149 ? -12.207 39.614 -26.972 1.00 49.45 ? 148 TYR H O 1 ATOM 11179 C CB . TYR H 4 149 ? -12.602 36.768 -28.152 1.00 54.01 ? 148 TYR H CB 1 ATOM 11180 C CG . TYR H 4 149 ? -11.334 36.037 -27.765 1.00 56.38 ? 148 TYR H CG 1 ATOM 11181 C CD1 . TYR H 4 149 ? -11.387 34.767 -27.186 1.00 57.79 ? 148 TYR H CD1 1 ATOM 11182 C CD2 . TYR H 4 149 ? -10.081 36.611 -27.980 1.00 57.39 ? 148 TYR H CD2 1 ATOM 11183 C CE1 . TYR H 4 149 ? -10.225 34.086 -26.827 1.00 60.03 ? 148 TYR H CE1 1 ATOM 11184 C CE2 . TYR H 4 149 ? -8.913 35.937 -27.624 1.00 59.96 ? 148 TYR H CE2 1 ATOM 11185 C CZ . TYR H 4 149 ? -8.994 34.676 -27.048 1.00 61.11 ? 148 TYR H CZ 1 ATOM 11186 O OH . TYR H 4 149 ? -7.845 34.008 -26.693 1.00 63.89 ? 148 TYR H OH 1 ATOM 11187 N N . PRO H 4 150 ? -11.752 38.248 -25.223 1.00 50.09 ? 149 PRO H N 1 ATOM 11188 C CA . PRO H 4 150 ? -11.920 37.067 -24.362 1.00 50.92 ? 149 PRO H CA 1 ATOM 11189 C C . PRO H 4 150 ? -13.157 37.138 -23.449 1.00 48.62 ? 149 PRO H C 1 ATOM 11190 O O . PRO H 4 150 ? -14.052 37.947 -23.693 1.00 46.63 ? 149 PRO H O 1 ATOM 11191 C CB . PRO H 4 150 ? -10.634 37.062 -23.533 1.00 52.24 ? 149 PRO H CB 1 ATOM 11192 C CG . PRO H 4 150 ? -10.226 38.489 -23.466 1.00 50.74 ? 149 PRO H CG 1 ATOM 11193 C CD . PRO H 4 150 ? -10.654 39.116 -24.756 1.00 50.23 ? 149 PRO H CD 1 ATOM 11194 N N . ASP H 4 151 ? -13.193 36.300 -22.410 1.00 49.41 ? 150 ASP H N 1 ATOM 11195 C CA . ASP H 4 151 ? -14.359 36.184 -21.518 1.00 47.90 ? 150 ASP H CA 1 ATOM 11196 C C . ASP H 4 151 ? -14.393 37.204 -20.368 1.00 45.85 ? 150 ASP H C 1 ATOM 11197 O O . ASP H 4 151 ? -15.058 36.984 -19.349 1.00 45.20 ? 150 ASP H O 1 ATOM 11198 C CB . ASP H 4 151 ? -14.479 34.750 -20.968 1.00 50.07 ? 150 ASP H CB 1 ATOM 11199 C CG . ASP H 4 151 ? -13.333 34.367 -20.025 1.00 52.76 ? 150 ASP H CG 1 ATOM 11200 O OD1 . ASP H 4 151 ? -12.286 35.056 -20.004 1.00 53.78 ? 150 ASP H OD1 1 ATOM 11201 O OD2 . ASP H 4 151 ? -13.479 33.357 -19.300 1.00 55.44 ? 150 ASP H OD2 1 ATOM 11202 N N . HIS H 4 152 ? -13.685 38.318 -20.540 1.00 45.33 ? 151 HIS H N 1 ATOM 11203 C CA . HIS H 4 152 ? -13.624 39.360 -19.519 1.00 43.87 ? 151 HIS H CA 1 ATOM 11204 C C . HIS H 4 152 ? -14.704 40.409 -19.747 1.00 41.50 ? 151 HIS H C 1 ATOM 11205 O O . HIS H 4 152 ? -14.462 41.445 -20.374 1.00 41.17 ? 151 HIS H O 1 ATOM 11206 C CB . HIS H 4 152 ? -12.229 39.995 -19.479 1.00 45.16 ? 151 HIS H CB 1 ATOM 11207 C CG . HIS H 4 152 ? -11.193 39.126 -18.840 1.00 47.62 ? 151 HIS H CG 1 ATOM 11208 N ND1 . HIS H 4 152 ? -10.358 39.576 -17.841 1.00 49.04 ? 151 HIS H ND1 1 ATOM 11209 C CD2 . HIS H 4 152 ? -10.869 37.826 -19.042 1.00 50.07 ? 151 HIS H CD2 1 ATOM 11210 C CE1 . HIS H 4 152 ? -9.557 38.596 -17.463 1.00 51.67 ? 151 HIS H CE1 1 ATOM 11211 N NE2 . HIS H 4 152 ? -9.847 37.523 -18.175 1.00 52.30 ? 151 HIS H NE2 1 ATOM 11212 N N . VAL H 4 153 ? -15.904 40.118 -19.243 1.00 40.15 ? 152 VAL H N 1 ATOM 11213 C CA . VAL H 4 153 ? -17.047 41.029 -19.355 1.00 38.08 ? 152 VAL H CA 1 ATOM 11214 C C . VAL H 4 153 ? -17.813 41.152 -18.040 1.00 37.19 ? 152 VAL H C 1 ATOM 11215 O O . VAL H 4 153 ? -17.881 40.203 -17.256 1.00 37.85 ? 152 VAL H O 1 ATOM 11216 C CB . VAL H 4 153 ? -18.039 40.613 -20.477 1.00 37.64 ? 152 VAL H CB 1 ATOM 11217 C CG1 . VAL H 4 153 ? -17.424 40.817 -21.856 1.00 38.59 ? 152 VAL H CG1 1 ATOM 11218 C CG2 . VAL H 4 153 ? -18.504 39.176 -20.296 1.00 38.42 ? 152 VAL H CG2 1 ATOM 11219 N N . GLU H 4 154 ? -18.375 42.333 -17.805 1.00 36.09 ? 153 GLU H N 1 ATOM 11220 C CA . GLU H 4 154 ? -19.294 42.548 -16.693 1.00 35.40 ? 153 GLU H CA 1 ATOM 11221 C C . GLU H 4 154 ? -20.661 42.911 -17.252 1.00 34.04 ? 153 GLU H C 1 ATOM 11222 O O . GLU H 4 154 ? -20.783 43.818 -18.077 1.00 33.80 ? 153 GLU H O 1 ATOM 11223 C CB . GLU H 4 154 ? -18.784 43.643 -15.757 1.00 35.71 ? 153 GLU H CB 1 ATOM 11224 C CG . GLU H 4 154 ? -17.538 43.261 -14.972 1.00 38.38 ? 153 GLU H CG 1 ATOM 11225 C CD . GLU H 4 154 ? -17.011 44.398 -14.107 1.00 41.07 ? 153 GLU H CD 1 ATOM 11226 O OE1 . GLU H 4 154 ? -16.855 45.534 -14.623 1.00 41.23 ? 153 GLU H OE1 1 ATOM 11227 O OE2 . GLU H 4 154 ? -16.743 44.152 -12.908 1.00 42.59 ? 153 GLU H OE2 1 ATOM 11228 N N . LEU H 4 155 ? -21.680 42.179 -16.820 1.00 33.68 ? 154 LEU H N 1 ATOM 11229 C CA . LEU H 4 155 ? -23.047 42.412 -17.265 1.00 32.84 ? 154 LEU H CA 1 ATOM 11230 C C . LEU H 4 155 ? -23.850 42.998 -16.118 1.00 32.32 ? 154 LEU H C 1 ATOM 11231 O O . LEU H 4 155 ? -23.722 42.565 -14.976 1.00 32.86 ? 154 LEU H O 1 ATOM 11232 C CB . LEU H 4 155 ? -23.685 41.104 -17.741 1.00 33.42 ? 154 LEU H CB 1 ATOM 11233 C CG . LEU H 4 155 ? -24.842 41.131 -18.748 1.00 33.61 ? 154 LEU H CG 1 ATOM 11234 C CD1 . LEU H 4 155 ? -24.943 39.781 -19.452 1.00 34.96 ? 154 LEU H CD1 1 ATOM 11235 C CD2 . LEU H 4 155 ? -26.173 41.495 -18.105 1.00 33.24 ? 154 LEU H CD2 1 ATOM 11236 N N . SER H 4 156 ? -24.677 43.987 -16.430 1.00 31.77 ? 155 SER H N 1 ATOM 11237 C CA . SER H 4 156 ? -25.516 44.637 -15.434 1.00 31.58 ? 155 SER H CA 1 ATOM 11238 C C . SER H 4 156 ? -26.847 45.065 -16.042 1.00 31.13 ? 155 SER H C 1 ATOM 11239 O O . SER H 4 156 ? -26.911 45.430 -17.216 1.00 30.94 ? 155 SER H O 1 ATOM 11240 C CB . SER H 4 156 ? -24.787 45.840 -14.836 1.00 32.00 ? 155 SER H CB 1 ATOM 11241 O OG . SER H 4 156 ? -24.169 46.607 -15.855 1.00 32.31 ? 155 SER H OG 1 ATOM 11242 N N . TRP H 4 157 ? -27.903 45.004 -15.235 1.00 31.24 ? 156 TRP H N 1 ATOM 11243 C CA . TRP H 4 157 ? -29.232 45.445 -15.646 1.00 31.15 ? 156 TRP H CA 1 ATOM 11244 C C . TRP H 4 157 ? -29.544 46.816 -15.076 1.00 31.82 ? 156 TRP H C 1 ATOM 11245 O O . TRP H 4 157 ? -29.273 47.090 -13.904 1.00 32.49 ? 156 TRP H O 1 ATOM 11246 C CB . TRP H 4 157 ? -30.291 44.465 -15.169 1.00 31.25 ? 156 TRP H CB 1 ATOM 11247 C CG . TRP H 4 157 ? -30.273 43.170 -15.881 1.00 30.90 ? 156 TRP H CG 1 ATOM 11248 C CD1 . TRP H 4 157 ? -29.564 42.058 -15.538 1.00 30.89 ? 156 TRP H CD1 1 ATOM 11249 C CD2 . TRP H 4 157 ? -31.010 42.833 -17.058 1.00 30.91 ? 156 TRP H CD2 1 ATOM 11250 N NE1 . TRP H 4 157 ? -29.814 41.045 -16.430 1.00 31.57 ? 156 TRP H NE1 1 ATOM 11251 C CE2 . TRP H 4 157 ? -30.699 41.494 -17.374 1.00 31.23 ? 156 TRP H CE2 1 ATOM 11252 C CE3 . TRP H 4 157 ? -31.907 43.532 -17.877 1.00 31.21 ? 156 TRP H CE3 1 ATOM 11253 C CZ2 . TRP H 4 157 ? -31.251 40.840 -18.473 1.00 32.06 ? 156 TRP H CZ2 1 ATOM 11254 C CZ3 . TRP H 4 157 ? -32.455 42.881 -18.970 1.00 31.65 ? 156 TRP H CZ3 1 ATOM 11255 C CH2 . TRP H 4 157 ? -32.123 41.549 -19.259 1.00 32.28 ? 156 TRP H CH2 1 ATOM 11256 N N . TRP H 4 158 ? -30.126 47.672 -15.906 1.00 32.14 ? 157 TRP H N 1 ATOM 11257 C CA . TRP H 4 158 ? -30.451 49.032 -15.499 1.00 33.04 ? 157 TRP H CA 1 ATOM 11258 C C . TRP H 4 158 ? -31.905 49.332 -15.787 1.00 33.64 ? 157 TRP H C 1 ATOM 11259 O O . TRP H 4 158 ? -32.391 49.097 -16.895 1.00 33.70 ? 157 TRP H O 1 ATOM 11260 C CB . TRP H 4 158 ? -29.543 50.028 -16.214 1.00 33.57 ? 157 TRP H CB 1 ATOM 11261 C CG . TRP H 4 158 ? -28.101 49.842 -15.859 1.00 33.29 ? 157 TRP H CG 1 ATOM 11262 C CD1 . TRP H 4 158 ? -27.285 48.816 -16.247 1.00 32.39 ? 157 TRP H CD1 1 ATOM 11263 C CD2 . TRP H 4 158 ? -27.305 50.700 -15.039 1.00 34.26 ? 157 TRP H CD2 1 ATOM 11264 N NE1 . TRP H 4 158 ? -26.030 48.983 -15.718 1.00 32.93 ? 157 TRP H NE1 1 ATOM 11265 C CE2 . TRP H 4 158 ? -26.013 50.132 -14.973 1.00 33.98 ? 157 TRP H CE2 1 ATOM 11266 C CE3 . TRP H 4 158 ? -27.556 51.894 -14.355 1.00 35.65 ? 157 TRP H CE3 1 ATOM 11267 C CZ2 . TRP H 4 158 ? -24.975 50.719 -14.248 1.00 34.91 ? 157 TRP H CZ2 1 ATOM 11268 C CZ3 . TRP H 4 158 ? -26.525 52.477 -13.638 1.00 36.99 ? 157 TRP H CZ3 1 ATOM 11269 C CH2 . TRP H 4 158 ? -25.248 51.887 -13.590 1.00 36.41 ? 157 TRP H CH2 1 ATOM 11270 N N . VAL H 4 159 ? -32.599 49.821 -14.768 1.00 34.44 ? 158 VAL H N 1 ATOM 11271 C CA . VAL H 4 159 ? -33.983 50.234 -14.906 1.00 35.38 ? 158 VAL H CA 1 ATOM 11272 C C . VAL H 4 159 ? -34.064 51.711 -14.564 1.00 37.16 ? 158 VAL H C 1 ATOM 11273 O O . VAL H 4 159 ? -33.692 52.119 -13.461 1.00 37.87 ? 158 VAL H O 1 ATOM 11274 C CB . VAL H 4 159 ? -34.929 49.399 -14.013 1.00 35.52 ? 158 VAL H CB 1 ATOM 11275 C CG1 . VAL H 4 159 ? -36.317 50.033 -13.933 1.00 37.28 ? 158 VAL H CG1 1 ATOM 11276 C CG2 . VAL H 4 159 ? -35.029 47.978 -14.536 1.00 34.25 ? 158 VAL H CG2 1 ATOM 11277 N N . ASN H 4 160 ? -34.531 52.498 -15.535 1.00 38.18 ? 159 ASN H N 1 ATOM 11278 C CA . ASN H 4 160 ? -34.688 53.948 -15.414 1.00 40.32 ? 159 ASN H CA 1 ATOM 11279 C C . ASN H 4 160 ? -33.421 54.687 -14.986 1.00 40.83 ? 159 ASN H C 1 ATOM 11280 O O . ASN H 4 160 ? -33.484 55.684 -14.267 1.00 43.01 ? 159 ASN H O 1 ATOM 11281 C CB . ASN H 4 160 ? -35.859 54.294 -14.489 1.00 42.09 ? 159 ASN H CB 1 ATOM 11282 C CG . ASN H 4 160 ? -37.193 53.827 -15.032 1.00 42.38 ? 159 ASN H CG 1 ATOM 11283 O OD1 . ASN H 4 160 ? -37.502 54.011 -16.210 1.00 42.73 ? 159 ASN H OD1 1 ATOM 11284 N ND2 . ASN H 4 160 ? -37.999 53.228 -14.167 1.00 42.72 ? 159 ASN H ND2 1 ATOM 11285 N N . GLY H 4 161 ? -32.272 54.191 -15.437 1.00 39.18 ? 160 GLY H N 1 ATOM 11286 C CA . GLY H 4 161 ? -30.996 54.845 -15.172 1.00 39.91 ? 160 GLY H CA 1 ATOM 11287 C C . GLY H 4 161 ? -30.324 54.404 -13.888 1.00 39.49 ? 160 GLY H C 1 ATOM 11288 O O . GLY H 4 161 ? -29.211 54.833 -13.587 1.00 40.22 ? 160 GLY H O 1 ATOM 11289 N N . LYS H 4 162 ? -31.001 53.553 -13.125 1.00 38.82 ? 161 LYS H N 1 ATOM 11290 C CA . LYS H 4 162 ? -30.437 53.007 -11.894 1.00 38.73 ? 161 LYS H CA 1 ATOM 11291 C C . LYS H 4 162 ? -30.260 51.494 -12.009 1.00 36.71 ? 161 LYS H C 1 ATOM 11292 O O . LYS H 4 162 ? -31.118 50.796 -12.560 1.00 35.91 ? 161 LYS H O 1 ATOM 11293 C CB . LYS H 4 162 ? -31.303 53.378 -10.689 1.00 40.42 ? 161 LYS H CB 1 ATOM 11294 C CG . LYS H 4 162 ? -31.309 54.872 -10.385 1.00 43.45 ? 161 LYS H CG 1 ATOM 11295 C CD . LYS H 4 162 ? -32.146 55.208 -9.160 1.00 45.89 ? 161 LYS H CD 1 ATOM 11296 C CE . LYS H 4 162 ? -32.097 56.697 -8.865 1.00 49.53 ? 161 LYS H CE 1 ATOM 11297 N NZ . LYS H 4 162 ? -33.043 57.094 -7.785 1.00 52.80 ? 161 LYS H NZ 1 ATOM 11298 N N . GLU H 4 163 ? -29.135 50.997 -11.503 1.00 36.39 ? 162 GLU H N 1 ATOM 11299 C CA . GLU H 4 163 ? -28.815 49.577 -11.591 1.00 34.96 ? 162 GLU H CA 1 ATOM 11300 C C . GLU H 4 163 ? -29.658 48.767 -10.618 1.00 35.29 ? 162 GLU H C 1 ATOM 11301 O O . GLU H 4 163 ? -29.916 49.207 -9.498 1.00 36.74 ? 162 GLU H O 1 ATOM 11302 C CB . GLU H 4 163 ? -27.332 49.348 -11.314 1.00 35.00 ? 162 GLU H CB 1 ATOM 11303 C CG . GLU H 4 163 ? -26.807 48.007 -11.797 1.00 33.86 ? 162 GLU H CG 1 ATOM 11304 C CD . GLU H 4 163 ? -25.402 47.707 -11.308 1.00 35.22 ? 162 GLU H CD 1 ATOM 11305 O OE1 . GLU H 4 163 ? -24.708 48.639 -10.845 1.00 36.37 ? 162 GLU H OE1 1 ATOM 11306 O OE2 . GLU H 4 163 ? -24.990 46.528 -11.389 1.00 35.75 ? 162 GLU H OE2 1 ATOM 11307 N N . VAL H 4 164 ? -30.092 47.590 -11.061 1.00 34.41 ? 163 VAL H N 1 ATOM 11308 C CA . VAL H 4 164 ? -30.841 46.664 -10.213 1.00 35.09 ? 163 VAL H CA 1 ATOM 11309 C C . VAL H 4 164 ? -30.084 45.349 -10.042 1.00 34.93 ? 163 VAL H C 1 ATOM 11310 O O . VAL H 4 164 ? -29.252 44.981 -10.878 1.00 34.25 ? 163 VAL H O 1 ATOM 11311 C CB . VAL H 4 164 ? -32.286 46.395 -10.740 1.00 35.04 ? 163 VAL H CB 1 ATOM 11312 C CG1 . VAL H 4 164 ? -33.122 47.676 -10.718 1.00 36.07 ? 163 VAL H CG1 1 ATOM 11313 C CG2 . VAL H 4 164 ? -32.273 45.771 -12.135 1.00 33.74 ? 163 VAL H CG2 1 ATOM 11314 N N . HIS H 4 165 ? -30.373 44.650 -8.949 1.00 36.01 ? 164 HIS H N 1 ATOM 11315 C CA . HIS H 4 165 ? -29.740 43.370 -8.667 1.00 36.18 ? 164 HIS H CA 1 ATOM 11316 C C . HIS H 4 165 ? -30.788 42.332 -8.314 1.00 36.75 ? 164 HIS H C 1 ATOM 11317 O O . HIS H 4 165 ? -30.586 41.138 -8.532 1.00 36.94 ? 164 HIS H O 1 ATOM 11318 C CB . HIS H 4 165 ? -28.724 43.517 -7.534 1.00 37.65 ? 164 HIS H CB 1 ATOM 11319 C CG . HIS H 4 165 ? -27.580 44.423 -7.868 1.00 37.85 ? 164 HIS H CG 1 ATOM 11320 N ND1 . HIS H 4 165 ? -26.404 43.964 -8.423 1.00 37.81 ? 164 HIS H ND1 1 ATOM 11321 C CD2 . HIS H 4 165 ? -27.437 45.764 -7.737 1.00 38.50 ? 164 HIS H CD2 1 ATOM 11322 C CE1 . HIS H 4 165 ? -25.583 44.982 -8.612 1.00 38.00 ? 164 HIS H CE1 1 ATOM 11323 N NE2 . HIS H 4 165 ? -26.185 46.086 -8.204 1.00 38.52 ? 164 HIS H NE2 1 ATOM 11324 N N . SER H 4 166 ? -31.905 42.805 -7.770 1.00 37.31 ? 165 SER H N 1 ATOM 11325 C CA . SER H 4 166 ? -33.035 41.954 -7.425 1.00 38.16 ? 165 SER H CA 1 ATOM 11326 C C . SER H 4 166 ? -33.683 41.406 -8.696 1.00 37.25 ? 165 SER H C 1 ATOM 11327 O O . SER H 4 166 ? -33.880 42.138 -9.666 1.00 36.08 ? 165 SER H O 1 ATOM 11328 C CB . SER H 4 166 ? -34.047 42.748 -6.594 1.00 39.33 ? 165 SER H CB 1 ATOM 11329 O OG . SER H 4 166 ? -35.128 41.940 -6.168 1.00 40.54 ? 165 SER H OG 1 ATOM 11330 N N . GLY H 4 167 ? -33.990 40.110 -8.688 1.00 38.25 ? 166 GLY H N 1 ATOM 11331 C CA . GLY H 4 167 ? -34.616 39.440 -9.828 1.00 37.98 ? 166 GLY H CA 1 ATOM 11332 C C . GLY H 4 167 ? -33.666 39.200 -10.984 1.00 36.94 ? 166 GLY H C 1 ATOM 11333 O O . GLY H 4 167 ? -34.102 38.948 -12.105 1.00 36.73 ? 166 GLY H O 1 ATOM 11334 N N . VAL H 4 168 ? -32.368 39.267 -10.703 1.00 36.80 ? 167 VAL H N 1 ATOM 11335 C CA . VAL H 4 168 ? -31.324 39.122 -11.718 1.00 36.20 ? 167 VAL H CA 1 ATOM 11336 C C . VAL H 4 168 ? -30.521 37.831 -11.525 1.00 37.78 ? 167 VAL H C 1 ATOM 11337 O O . VAL H 4 168 ? -30.197 37.451 -10.395 1.00 39.05 ? 167 VAL H O 1 ATOM 11338 C CB . VAL H 4 168 ? -30.363 40.343 -11.707 1.00 34.94 ? 167 VAL H CB 1 ATOM 11339 C CG1 . VAL H 4 168 ? -29.176 40.124 -12.631 1.00 34.29 ? 167 VAL H CG1 1 ATOM 11340 C CG2 . VAL H 4 168 ? -31.105 41.616 -12.093 1.00 34.25 ? 167 VAL H CG2 1 ATOM 11341 N N . CYS H 4 169 ? -30.223 37.153 -12.633 1.00 38.18 ? 168 CYS H N 1 ATOM 11342 C CA . CYS H 4 169 ? -29.282 36.037 -12.624 1.00 40.01 ? 168 CYS H CA 1 ATOM 11343 C C . CYS H 4 169 ? -28.467 35.968 -13.906 1.00 39.42 ? 168 CYS H C 1 ATOM 11344 O O . CYS H 4 169 ? -29.006 35.702 -14.982 1.00 39.82 ? 168 CYS H O 1 ATOM 11345 C CB . CYS H 4 169 ? -29.977 34.697 -12.396 1.00 42.31 ? 168 CYS H CB 1 ATOM 11346 S SG . CYS H 4 169 ? -28.755 33.383 -12.072 1.00 47.06 ? 168 CYS H SG 1 ATOM 11347 N N . THR H 4 170 ? -27.165 36.206 -13.781 1.00 39.06 ? 169 THR H N 1 ATOM 11348 C CA . THR H 4 170 ? -26.247 36.069 -14.903 1.00 38.89 ? 169 THR H CA 1 ATOM 11349 C C . THR H 4 170 ? -25.535 34.722 -14.796 1.00 41.33 ? 169 THR H C 1 ATOM 11350 O O . THR H 4 170 ? -25.190 34.282 -13.695 1.00 42.60 ? 169 THR H O 1 ATOM 11351 C CB . THR H 4 170 ? -25.217 37.211 -14.925 1.00 37.48 ? 169 THR H CB 1 ATOM 11352 O OG1 . THR H 4 170 ? -25.892 38.473 -14.825 1.00 35.58 ? 169 THR H OG1 1 ATOM 11353 C CG2 . THR H 4 170 ? -24.401 37.179 -16.207 1.00 37.49 ? 169 THR H CG2 1 ATOM 11354 N N . ASP H 4 171 ? -25.329 34.067 -15.938 1.00 42.32 ? 170 ASP H N 1 ATOM 11355 C CA . ASP H 4 171 ? -24.606 32.796 -15.990 1.00 45.04 ? 170 ASP H CA 1 ATOM 11356 C C . ASP H 4 171 ? -23.231 32.936 -15.333 1.00 45.53 ? 170 ASP H C 1 ATOM 11357 O O . ASP H 4 171 ? -22.562 33.957 -15.509 1.00 43.87 ? 170 ASP H O 1 ATOM 11358 C CB . ASP H 4 171 ? -24.458 32.314 -17.437 1.00 46.10 ? 170 ASP H CB 1 ATOM 11359 C CG . ASP H 4 171 ? -25.798 32.086 -18.125 1.00 46.22 ? 170 ASP H CG 1 ATOM 11360 O OD1 . ASP H 4 171 ? -26.729 31.558 -17.484 1.00 47.53 ? 170 ASP H OD1 1 ATOM 11361 O OD2 . ASP H 4 171 ? -25.916 32.424 -19.318 1.00 45.33 ? 170 ASP H OD2 1 ATOM 11362 N N . PRO H 4 172 ? -22.811 31.922 -14.556 1.00 48.25 ? 171 PRO H N 1 ATOM 11363 C CA . PRO H 4 172 ? -21.516 32.037 -13.889 1.00 49.15 ? 171 PRO H CA 1 ATOM 11364 C C . PRO H 4 172 ? -20.375 31.925 -14.890 1.00 50.11 ? 171 PRO H C 1 ATOM 11365 O O . PRO H 4 172 ? -19.334 32.558 -14.711 1.00 49.70 ? 171 PRO H O 1 ATOM 11366 C CB . PRO H 4 172 ? -21.499 30.841 -12.926 1.00 52.27 ? 171 PRO H CB 1 ATOM 11367 C CG . PRO H 4 172 ? -22.898 30.283 -12.931 1.00 52.70 ? 171 PRO H CG 1 ATOM 11368 C CD . PRO H 4 172 ? -23.472 30.639 -14.254 1.00 51.04 ? 171 PRO H CD 1 ATOM 11369 N N . GLN H 4 173 ? -20.597 31.138 -15.943 1.00 51.84 ? 172 GLN H N 1 ATOM 11370 C CA . GLN H 4 173 ? -19.577 30.833 -16.944 1.00 53.46 ? 172 GLN H CA 1 ATOM 11371 C C . GLN H 4 173 ? -20.081 31.086 -18.365 1.00 52.54 ? 172 GLN H C 1 ATOM 11372 O O . GLN H 4 173 ? -21.049 30.452 -18.800 1.00 53.69 ? 172 GLN H O 1 ATOM 11373 C CB . GLN H 4 173 ? -19.121 29.375 -16.801 1.00 57.60 ? 172 GLN H CB 1 ATOM 11374 C CG . GLN H 4 173 ? -18.185 29.124 -15.625 1.00 59.76 ? 172 GLN H CG 1 ATOM 11375 C CD . GLN H 4 173 ? -16.769 29.592 -15.902 1.00 60.17 ? 172 GLN H CD 1 ATOM 11376 O OE1 . GLN H 4 173 ? -15.965 28.861 -16.481 1.00 62.83 ? 172 GLN H OE1 1 ATOM 11377 N NE2 . GLN H 4 173 ? -16.457 30.818 -15.486 1.00 57.34 ? 172 GLN H NE2 1 ATOM 11378 N N . PRO H 4 174 ? -19.435 32.021 -19.092 1.00 50.93 ? 173 PRO H N 1 ATOM 11379 C CA . PRO H 4 174 ? -19.773 32.246 -20.499 1.00 50.55 ? 173 PRO H CA 1 ATOM 11380 C C . PRO H 4 174 ? -19.325 31.065 -21.351 1.00 53.90 ? 173 PRO H C 1 ATOM 11381 O O . PRO H 4 174 ? -18.211 30.567 -21.175 1.00 55.90 ? 173 PRO H O 1 ATOM 11382 C CB . PRO H 4 174 ? -18.972 33.503 -20.863 1.00 48.69 ? 173 PRO H CB 1 ATOM 11383 C CG . PRO H 4 174 ? -18.608 34.133 -19.553 1.00 47.51 ? 173 PRO H CG 1 ATOM 11384 C CD . PRO H 4 174 ? -18.421 32.978 -18.620 1.00 49.71 ? 173 PRO H CD 1 ATOM 11385 N N . LEU H 4 175 ? -20.193 30.622 -22.256 1.00 54.69 ? 174 LEU H N 1 ATOM 11386 C CA . LEU H 4 175 ? -19.935 29.427 -23.060 1.00 58.55 ? 174 LEU H CA 1 ATOM 11387 C C . LEU H 4 175 ? -19.201 29.726 -24.369 1.00 59.38 ? 174 LEU H C 1 ATOM 11388 O O . LEU H 4 175 ? -19.318 30.822 -24.920 1.00 57.02 ? 174 LEU H O 1 ATOM 11389 C CB . LEU H 4 175 ? -21.242 28.666 -23.324 1.00 60.08 ? 174 LEU H CB 1 ATOM 11390 C CG . LEU H 4 175 ? -22.435 29.413 -23.930 1.00 58.08 ? 174 LEU H CG 1 ATOM 11391 C CD1 . LEU H 4 175 ? -22.379 29.370 -25.450 1.00 60.15 ? 174 LEU H CD1 1 ATOM 11392 C CD2 . LEU H 4 175 ? -23.745 28.820 -23.432 1.00 58.56 ? 174 LEU H CD2 1 ATOM 11393 N N . LYS H 4 176 ? -18.446 28.742 -24.856 1.00 63.05 ? 175 LYS H N 1 ATOM 11394 C CA . LYS H 4 176 ? -17.730 28.864 -26.123 1.00 64.67 ? 175 LYS H CA 1 ATOM 11395 C C . LYS H 4 176 ? -18.676 28.653 -27.304 1.00 66.03 ? 175 LYS H C 1 ATOM 11396 O O . LYS H 4 176 ? -19.459 27.700 -27.321 1.00 68.34 ? 175 LYS H O 1 ATOM 11397 C CB . LYS H 4 176 ? -16.571 27.867 -26.183 1.00 68.76 ? 175 LYS H CB 1 ATOM 11398 N N . GLU H 4 177 ? -18.605 29.550 -28.284 1.00 64.96 ? 176 GLU H N 1 ATOM 11399 C CA . GLU H 4 177 ? -19.440 29.461 -29.483 1.00 66.61 ? 176 GLU H CA 1 ATOM 11400 C C . GLU H 4 177 ? -18.953 28.364 -30.422 1.00 71.82 ? 176 GLU H C 1 ATOM 11401 O O . GLU H 4 177 ? -19.755 27.687 -31.070 1.00 74.64 ? 176 GLU H O 1 ATOM 11402 C CB . GLU H 4 177 ? -19.473 30.796 -30.227 1.00 64.37 ? 176 GLU H CB 1 ATOM 11403 C CG . GLU H 4 177 ? -20.244 31.892 -29.513 1.00 60.13 ? 176 GLU H CG 1 ATOM 11404 C CD . GLU H 4 177 ? -20.219 33.216 -30.255 1.00 58.86 ? 176 GLU H CD 1 ATOM 11405 O OE1 . GLU H 4 177 ? -19.304 33.435 -31.080 1.00 60.51 ? 176 GLU H OE1 1 ATOM 11406 O OE2 . GLU H 4 177 ? -21.118 34.044 -30.005 1.00 56.60 ? 176 GLU H OE2 1 ATOM 11407 N N . GLN H 4 178 ? -17.635 28.196 -30.489 1.00 73.44 ? 177 GLN H N 1 ATOM 11408 C CA . GLN H 4 178 ? -17.032 27.176 -31.331 1.00 78.66 ? 177 GLN H CA 1 ATOM 11409 C C . GLN H 4 178 ? -16.062 26.316 -30.510 1.00 80.80 ? 177 GLN H C 1 ATOM 11410 O O . GLN H 4 178 ? -14.845 26.498 -30.601 1.00 81.68 ? 177 GLN H O 1 ATOM 11411 C CB . GLN H 4 178 ? -16.326 27.834 -32.522 1.00 79.65 ? 177 GLN H CB 1 ATOM 11412 C CG . GLN H 4 178 ? -16.586 27.150 -33.860 1.00 84.63 ? 177 GLN H CG 1 ATOM 11413 C CD . GLN H 4 178 ? -18.025 27.306 -34.334 1.00 84.02 ? 177 GLN H CD 1 ATOM 11414 O OE1 . GLN H 4 178 ? -18.607 28.388 -34.253 1.00 80.09 ? 177 GLN H OE1 1 ATOM 11415 N NE2 . GLN H 4 178 ? -18.602 26.220 -34.833 1.00 88.38 ? 177 GLN H NE2 1 ATOM 11416 N N . PRO H 4 179 ? -16.601 25.367 -29.712 1.00 82.04 ? 178 PRO H N 1 ATOM 11417 C CA . PRO H 4 179 ? -15.813 24.536 -28.787 1.00 84.17 ? 178 PRO H CA 1 ATOM 11418 C C . PRO H 4 179 ? -14.601 23.849 -29.416 1.00 89.06 ? 178 PRO H C 1 ATOM 11419 O O . PRO H 4 179 ? -13.653 23.514 -28.703 1.00 90.33 ? 178 PRO H O 1 ATOM 11420 C CB . PRO H 4 179 ? -16.822 23.484 -28.318 1.00 86.31 ? 178 PRO H CB 1 ATOM 11421 C CG . PRO H 4 179 ? -18.131 24.160 -28.427 1.00 82.83 ? 178 PRO H CG 1 ATOM 11422 C CD . PRO H 4 179 ? -18.032 25.011 -29.662 1.00 81.94 ? 178 PRO H CD 1 ATOM 11423 N N . ALA H 4 180 ? -14.638 23.646 -30.732 1.00 92.11 ? 179 ALA H N 1 ATOM 11424 C CA . ALA H 4 180 ? -13.541 23.009 -31.464 1.00 97.28 ? 179 ALA H CA 1 ATOM 11425 C C . ALA H 4 180 ? -12.278 23.874 -31.504 1.00 95.64 ? 179 ALA H C 1 ATOM 11426 O O . ALA H 4 180 ? -11.171 23.370 -31.294 1.00 98.73 ? 179 ALA H O 1 ATOM 11427 C CB . ALA H 4 180 ? -13.987 22.638 -32.878 1.00 101.11 ? 179 ALA H CB 1 ATOM 11428 N N . LEU H 4 181 ? -12.450 25.170 -31.766 1.00 91.11 ? 180 LEU H N 1 ATOM 11429 C CA . LEU H 4 181 ? -11.328 26.106 -31.846 1.00 89.53 ? 180 LEU H CA 1 ATOM 11430 C C . LEU H 4 181 ? -10.768 26.450 -30.466 1.00 86.61 ? 180 LEU H C 1 ATOM 11431 O O . LEU H 4 181 ? -11.524 26.669 -29.515 1.00 83.05 ? 180 LEU H O 1 ATOM 11432 C CB . LEU H 4 181 ? -11.742 27.381 -32.584 1.00 86.22 ? 180 LEU H CB 1 ATOM 11433 N N . ASN H 4 182 ? -9.439 26.490 -30.373 1.00 88.49 ? 181 ASN H N 1 ATOM 11434 C CA . ASN H 4 182 ? -8.737 26.801 -29.124 1.00 86.61 ? 181 ASN H CA 1 ATOM 11435 C C . ASN H 4 182 ? -8.900 28.260 -28.684 1.00 81.07 ? 181 ASN H C 1 ATOM 11436 O O . ASN H 4 182 ? -8.936 28.553 -27.484 1.00 78.43 ? 181 ASN H O 1 ATOM 11437 C CB . ASN H 4 182 ? -7.252 26.442 -29.239 1.00 90.55 ? 181 ASN H CB 1 ATOM 11438 N N . ASP H 4 183 ? -8.997 29.162 -29.660 1.00 79.72 ? 182 ASP H N 1 ATOM 11439 C CA . ASP H 4 183 ? -9.206 30.585 -29.395 1.00 74.94 ? 182 ASP H CA 1 ATOM 11440 C C . ASP H 4 183 ? -10.625 31.023 -29.791 1.00 72.21 ? 182 ASP H C 1 ATOM 11441 O O . ASP H 4 183 ? -10.819 32.068 -30.421 1.00 70.44 ? 182 ASP H O 1 ATOM 11442 C CB . ASP H 4 183 ? -8.142 31.422 -30.113 1.00 75.66 ? 182 ASP H CB 1 ATOM 11443 N N . SER H 4 184 ? -11.610 30.215 -29.400 1.00 72.18 ? 183 SER H N 1 ATOM 11444 C CA . SER H 4 184 ? -13.021 30.455 -29.717 1.00 70.05 ? 183 SER H CA 1 ATOM 11445 C C . SER H 4 184 ? -13.582 31.717 -29.062 1.00 65.03 ? 183 SER H C 1 ATOM 11446 O O . SER H 4 184 ? -13.045 32.208 -28.067 1.00 63.08 ? 183 SER H O 1 ATOM 11447 C CB . SER H 4 184 ? -13.866 29.242 -29.304 1.00 71.69 ? 183 SER H CB 1 ATOM 11448 O OG . SER H 4 184 ? -15.256 29.485 -29.471 1.00 69.59 ? 183 SER H OG 1 ATOM 11449 N N . ARG H 4 185 ? -14.670 32.226 -29.632 1.00 63.32 ? 184 ARG H N 1 ATOM 11450 C CA . ARG H 4 185 ? -15.392 33.359 -29.066 1.00 58.97 ? 184 ARG H CA 1 ATOM 11451 C C . ARG H 4 185 ? -16.451 32.884 -28.072 1.00 57.29 ? 184 ARG H C 1 ATOM 11452 O O . ARG H 4 185 ? -16.775 31.696 -28.023 1.00 59.64 ? 184 ARG H O 1 ATOM 11453 C CB . ARG H 4 185 ? -16.004 34.211 -30.178 1.00 58.48 ? 184 ARG H CB 1 ATOM 11454 C CG . ARG H 4 185 ? -14.967 35.029 -30.927 1.00 59.70 ? 184 ARG H CG 1 ATOM 11455 C CD . ARG H 4 185 ? -15.471 35.515 -32.268 1.00 61.72 ? 184 ARG H CD 1 ATOM 11456 N NE . ARG H 4 185 ? -14.388 36.121 -33.042 1.00 64.34 ? 184 ARG H NE 1 ATOM 11457 C CZ . ARG H 4 185 ? -14.511 36.589 -34.282 1.00 66.69 ? 184 ARG H CZ 1 ATOM 11458 N NH1 . ARG H 4 185 ? -15.678 36.531 -34.914 1.00 67.35 ? 184 ARG H NH1 1 ATOM 11459 N NH2 . ARG H 4 185 ? -13.460 37.120 -34.894 1.00 68.45 ? 184 ARG H NH2 1 ATOM 11460 N N . TYR H 4 186 ? -16.979 33.815 -27.282 1.00 53.66 ? 185 TYR H N 1 ATOM 11461 C CA . TYR H 4 186 ? -17.861 33.478 -26.167 1.00 52.07 ? 185 TYR H CA 1 ATOM 11462 C C . TYR H 4 186 ? -19.244 34.100 -26.287 1.00 49.93 ? 185 TYR H C 1 ATOM 11463 O O . TYR H 4 186 ? -19.421 35.124 -26.949 1.00 48.84 ? 185 TYR H O 1 ATOM 11464 C CB . TYR H 4 186 ? -17.226 33.913 -24.841 1.00 50.21 ? 185 TYR H CB 1 ATOM 11465 C CG . TYR H 4 186 ? -15.905 33.246 -24.545 1.00 52.42 ? 185 TYR H CG 1 ATOM 11466 C CD1 . TYR H 4 186 ? -15.854 32.031 -23.862 1.00 54.27 ? 185 TYR H CD1 1 ATOM 11467 C CD2 . TYR H 4 186 ? -14.706 33.826 -24.951 1.00 52.95 ? 185 TYR H CD2 1 ATOM 11468 C CE1 . TYR H 4 186 ? -14.639 31.412 -23.590 1.00 56.94 ? 185 TYR H CE1 1 ATOM 11469 C CE2 . TYR H 4 186 ? -13.487 33.215 -24.685 1.00 55.57 ? 185 TYR H CE2 1 ATOM 11470 C CZ . TYR H 4 186 ? -13.461 32.011 -24.005 1.00 57.53 ? 185 TYR H CZ 1 ATOM 11471 O OH . TYR H 4 186 ? -12.254 31.407 -23.744 1.00 60.46 ? 185 TYR H OH 1 ATOM 11472 N N . SER H 4 187 ? -20.216 33.464 -25.640 1.00 49.76 ? 186 SER H N 1 ATOM 11473 C CA . SER H 4 187 ? -21.554 34.025 -25.472 1.00 47.78 ? 186 SER H CA 1 ATOM 11474 C C . SER H 4 187 ? -21.934 34.026 -23.994 1.00 46.02 ? 186 SER H C 1 ATOM 11475 O O . SER H 4 187 ? -21.449 33.192 -23.227 1.00 47.42 ? 186 SER H O 1 ATOM 11476 C CB . SER H 4 187 ? -22.586 33.248 -26.292 1.00 49.95 ? 186 SER H CB 1 ATOM 11477 O OG . SER H 4 187 ? -22.466 33.536 -27.678 1.00 51.46 ? 186 SER H OG 1 ATOM 11478 N N . LEU H 4 188 ? -22.791 34.965 -23.598 1.00 43.45 ? 187 LEU H N 1 ATOM 11479 C CA . LEU H 4 188 ? -23.212 35.098 -22.201 1.00 41.79 ? 187 LEU H CA 1 ATOM 11480 C C . LEU H 4 188 ? -24.659 35.567 -22.080 1.00 40.46 ? 187 LEU H C 1 ATOM 11481 O O . LEU H 4 188 ? -25.063 36.539 -22.721 1.00 39.40 ? 187 LEU H O 1 ATOM 11482 C CB . LEU H 4 188 ? -22.278 36.049 -21.437 1.00 40.04 ? 187 LEU H CB 1 ATOM 11483 C CG . LEU H 4 188 ? -22.621 36.405 -19.984 1.00 38.36 ? 187 LEU H CG 1 ATOM 11484 C CD1 . LEU H 4 188 ? -22.586 35.186 -19.075 1.00 40.03 ? 187 LEU H CD1 1 ATOM 11485 C CD2 . LEU H 4 188 ? -21.681 37.466 -19.466 1.00 37.10 ? 187 LEU H CD2 1 ATOM 11486 N N . SER H 4 189 ? -25.420 34.875 -21.237 1.00 40.83 ? 188 SER H N 1 ATOM 11487 C CA . SER H 4 189 ? -26.841 35.147 -21.057 1.00 40.07 ? 188 SER H CA 1 ATOM 11488 C C . SER H 4 189 ? -27.182 35.609 -19.639 1.00 38.55 ? 188 SER H C 1 ATOM 11489 O O . SER H 4 189 ? -26.531 35.215 -18.673 1.00 38.95 ? 188 SER H O 1 ATOM 11490 C CB . SER H 4 189 ? -27.651 33.907 -21.427 1.00 42.46 ? 188 SER H CB 1 ATOM 11491 O OG . SER H 4 189 ? -28.887 33.871 -20.742 1.00 42.61 ? 188 SER H OG 1 ATOM 11492 N N . SER H 4 190 ? -28.211 36.446 -19.527 1.00 37.28 ? 189 SER H N 1 ATOM 11493 C CA . SER H 4 190 ? -28.692 36.920 -18.229 1.00 36.32 ? 189 SER H CA 1 ATOM 11494 C C . SER H 4 190 ? -30.198 37.177 -18.256 1.00 36.27 ? 189 SER H C 1 ATOM 11495 O O . SER H 4 190 ? -30.765 37.462 -19.313 1.00 36.18 ? 189 SER H O 1 ATOM 11496 C CB . SER H 4 190 ? -27.946 38.188 -17.798 1.00 34.60 ? 189 SER H CB 1 ATOM 11497 O OG . SER H 4 190 ? -28.309 38.572 -16.483 1.00 33.91 ? 189 SER H OG 1 ATOM 11498 N N . ARG H 4 191 ? -30.832 37.075 -17.087 1.00 36.39 ? 190 ARG H N 1 ATOM 11499 C CA . ARG H 4 191 ? -32.281 37.242 -16.969 1.00 36.76 ? 190 ARG H CA 1 ATOM 11500 C C . ARG H 4 191 ? -32.669 38.237 -15.875 1.00 35.62 ? 190 ARG H C 1 ATOM 11501 O O . ARG H 4 191 ? -32.138 38.188 -14.763 1.00 35.55 ? 190 ARG H O 1 ATOM 11502 C CB . ARG H 4 191 ? -32.977 35.900 -16.699 1.00 39.07 ? 190 ARG H CB 1 ATOM 11503 C CG . ARG H 4 191 ? -32.397 34.677 -17.413 1.00 41.53 ? 190 ARG H CG 1 ATOM 11504 C CD . ARG H 4 191 ? -31.417 33.947 -16.512 1.00 43.62 ? 190 ARG H CD 1 ATOM 11505 N NE . ARG H 4 191 ? -31.099 32.606 -16.998 1.00 47.03 ? 190 ARG H NE 1 ATOM 11506 C CZ . ARG H 4 191 ? -29.965 32.275 -17.608 1.00 48.15 ? 190 ARG H CZ 1 ATOM 11507 N NH1 . ARG H 4 191 ? -29.020 33.187 -17.818 1.00 46.32 ? 190 ARG H NH1 1 ATOM 11508 N NH2 . ARG H 4 191 ? -29.773 31.023 -18.008 1.00 51.22 ? 190 ARG H NH2 1 ATOM 11509 N N . LEU H 4 192 ? -33.595 39.136 -16.209 1.00 35.02 ? 191 LEU H N 1 ATOM 11510 C CA . LEU H 4 192 ? -34.226 40.035 -15.241 1.00 34.49 ? 191 LEU H CA 1 ATOM 11511 C C . LEU H 4 192 ? -35.722 39.746 -15.165 1.00 35.68 ? 191 LEU H C 1 ATOM 11512 O O . LEU H 4 192 ? -36.435 39.879 -16.160 1.00 36.06 ? 191 LEU H O 1 ATOM 11513 C CB . LEU H 4 192 ? -33.996 41.506 -15.617 1.00 33.34 ? 191 LEU H CB 1 ATOM 11514 C CG . LEU H 4 192 ? -34.792 42.603 -14.889 1.00 33.28 ? 191 LEU H CG 1 ATOM 11515 C CD1 . LEU H 4 192 ? -34.544 42.603 -13.383 1.00 33.33 ? 191 LEU H CD1 1 ATOM 11516 C CD2 . LEU H 4 192 ? -34.484 43.971 -15.470 1.00 32.35 ? 191 LEU H CD2 1 ATOM 11517 N N . ARG H 4 193 ? -36.194 39.357 -13.984 1.00 36.48 ? 192 ARG H N 1 ATOM 11518 C CA . ARG H 4 193 ? -37.618 39.092 -13.782 1.00 37.76 ? 192 ARG H CA 1 ATOM 11519 C C . ARG H 4 193 ? -38.289 40.170 -12.934 1.00 37.73 ? 192 ARG H C 1 ATOM 11520 O O . ARG H 4 193 ? -37.902 40.409 -11.789 1.00 37.66 ? 192 ARG H O 1 ATOM 11521 C CB . ARG H 4 193 ? -37.839 37.710 -13.162 1.00 39.50 ? 192 ARG H CB 1 ATOM 11522 C CG . ARG H 4 193 ? -39.224 37.147 -13.420 1.00 41.02 ? 192 ARG H CG 1 ATOM 11523 C CD . ARG H 4 193 ? -39.354 35.729 -12.908 1.00 42.64 ? 192 ARG H CD 1 ATOM 11524 N NE . ARG H 4 193 ? -40.287 34.954 -13.723 1.00 44.17 ? 192 ARG H NE 1 ATOM 11525 C CZ . ARG H 4 193 ? -40.720 33.733 -13.424 1.00 46.49 ? 192 ARG H CZ 1 ATOM 11526 N NH1 . ARG H 4 193 ? -41.567 33.115 -14.238 1.00 48.51 ? 192 ARG H NH1 1 ATOM 11527 N NH2 . ARG H 4 193 ? -40.316 33.131 -12.314 1.00 47.06 ? 192 ARG H NH2 1 ATOM 11528 N N . VAL H 4 194 ? -39.290 40.824 -13.517 1.00 38.03 ? 193 VAL H N 1 ATOM 11529 C CA . VAL H 4 194 ? -40.108 41.799 -12.797 1.00 38.57 ? 193 VAL H CA 1 ATOM 11530 C C . VAL H 4 194 ? -41.571 41.367 -12.810 1.00 40.42 ? 193 VAL H C 1 ATOM 11531 O O . VAL H 4 194 ? -41.925 40.382 -13.458 1.00 41.09 ? 193 VAL H O 1 ATOM 11532 C CB . VAL H 4 194 ? -39.962 43.239 -13.365 1.00 37.75 ? 193 VAL H CB 1 ATOM 11533 C CG1 . VAL H 4 194 ? -38.563 43.779 -13.105 1.00 36.18 ? 193 VAL H CG1 1 ATOM 11534 C CG2 . VAL H 4 194 ? -40.312 43.291 -14.852 1.00 37.77 ? 193 VAL H CG2 1 ATOM 11535 N N . SER H 4 195 ? -42.411 42.098 -12.083 1.00 41.56 ? 194 SER H N 1 ATOM 11536 C CA . SER H 4 195 ? -43.840 41.826 -12.075 1.00 43.85 ? 194 SER H CA 1 ATOM 11537 C C . SER H 4 195 ? -44.457 42.246 -13.403 1.00 44.29 ? 194 SER H C 1 ATOM 11538 O O . SER H 4 195 ? -43.938 43.137 -14.081 1.00 43.08 ? 194 SER H O 1 ATOM 11539 C CB . SER H 4 195 ? -44.527 42.550 -10.914 1.00 45.29 ? 194 SER H CB 1 ATOM 11540 O OG . SER H 4 195 ? -44.569 43.949 -11.126 1.00 45.09 ? 194 SER H OG 1 ATOM 11541 N N . ALA H 4 196 ? -45.556 41.593 -13.772 1.00 46.35 ? 195 ALA H N 1 ATOM 11542 C CA . ALA H 4 196 ? -46.299 41.951 -14.977 1.00 47.49 ? 195 ALA H CA 1 ATOM 11543 C C . ALA H 4 196 ? -46.634 43.443 -14.980 1.00 47.78 ? 195 ALA H C 1 ATOM 11544 O O . ALA H 4 196 ? -46.470 44.117 -15.995 1.00 47.44 ? 195 ALA H O 1 ATOM 11545 C CB . ALA H 4 196 ? -47.565 41.111 -15.093 1.00 50.15 ? 195 ALA H CB 1 ATOM 11546 N N . THR H 4 197 ? -47.073 43.947 -13.828 1.00 48.80 ? 196 THR H N 1 ATOM 11547 C CA . THR H 4 197 ? -47.443 45.352 -13.667 1.00 49.84 ? 196 THR H CA 1 ATOM 11548 C C . THR H 4 197 ? -46.290 46.279 -14.043 1.00 48.03 ? 196 THR H C 1 ATOM 11549 O O . THR H 4 197 ? -46.480 47.229 -14.806 1.00 48.77 ? 196 THR H O 1 ATOM 11550 C CB . THR H 4 197 ? -47.895 45.675 -12.216 1.00 51.23 ? 196 THR H CB 1 ATOM 11551 O OG1 . THR H 4 197 ? -48.631 44.573 -11.671 1.00 52.76 ? 196 THR H OG1 1 ATOM 11552 C CG2 . THR H 4 197 ? -48.767 46.922 -12.188 1.00 53.49 ? 196 THR H CG2 1 ATOM 11553 N N . PHE H 4 198 ? -45.102 45.989 -13.509 1.00 46.01 ? 197 PHE H N 1 ATOM 11554 C CA . PHE H 4 198 ? -43.923 46.835 -13.705 1.00 44.47 ? 197 PHE H CA 1 ATOM 11555 C C . PHE H 4 198 ? -43.452 46.886 -15.164 1.00 43.55 ? 197 PHE H C 1 ATOM 11556 O O . PHE H 4 198 ? -43.067 47.947 -15.657 1.00 43.58 ? 197 PHE H O 1 ATOM 11557 C CB . PHE H 4 198 ? -42.786 46.396 -12.779 1.00 42.94 ? 197 PHE H CB 1 ATOM 11558 C CG . PHE H 4 198 ? -41.677 47.405 -12.657 1.00 42.25 ? 197 PHE H CG 1 ATOM 11559 C CD1 . PHE H 4 198 ? -40.456 47.195 -13.294 1.00 40.45 ? 197 PHE H CD1 1 ATOM 11560 C CD2 . PHE H 4 198 ? -41.853 48.568 -11.909 1.00 43.76 ? 197 PHE H CD2 1 ATOM 11561 C CE1 . PHE H 4 198 ? -39.427 48.128 -13.189 1.00 39.90 ? 197 PHE H CE1 1 ATOM 11562 C CE2 . PHE H 4 198 ? -40.830 49.508 -11.795 1.00 43.40 ? 197 PHE H CE2 1 ATOM 11563 C CZ . PHE H 4 198 ? -39.615 49.289 -12.438 1.00 41.48 ? 197 PHE H CZ 1 ATOM 11564 N N . TRP H 4 199 ? -43.491 45.743 -15.847 1.00 43.19 ? 198 TRP H N 1 ATOM 11565 C CA . TRP H 4 199 ? -43.161 45.672 -17.271 1.00 42.72 ? 198 TRP H CA 1 ATOM 11566 C C . TRP H 4 199 ? -44.220 46.348 -18.150 1.00 44.96 ? 198 TRP H C 1 ATOM 11567 O O . TRP H 4 199 ? -43.888 46.972 -19.158 1.00 45.11 ? 198 TRP H O 1 ATOM 11568 C CB . TRP H 4 199 ? -42.961 44.219 -17.714 1.00 42.29 ? 198 TRP H CB 1 ATOM 11569 C CG . TRP H 4 199 ? -42.962 44.055 -19.208 1.00 42.61 ? 198 TRP H CG 1 ATOM 11570 C CD1 . TRP H 4 199 ? -43.972 43.553 -19.978 1.00 44.23 ? 198 TRP H CD1 1 ATOM 11571 C CD2 . TRP H 4 199 ? -41.914 44.424 -20.114 1.00 41.29 ? 198 TRP H CD2 1 ATOM 11572 N NE1 . TRP H 4 199 ? -43.614 43.573 -21.303 1.00 44.52 ? 198 TRP H NE1 1 ATOM 11573 C CE2 . TRP H 4 199 ? -42.355 44.104 -21.415 1.00 42.65 ? 198 TRP H CE2 1 ATOM 11574 C CE3 . TRP H 4 199 ? -40.640 44.988 -19.950 1.00 39.34 ? 198 TRP H CE3 1 ATOM 11575 C CZ2 . TRP H 4 199 ? -41.570 44.331 -22.551 1.00 42.52 ? 198 TRP H CZ2 1 ATOM 11576 C CZ3 . TRP H 4 199 ? -39.859 45.213 -21.078 1.00 39.00 ? 198 TRP H CZ3 1 ATOM 11577 C CH2 . TRP H 4 199 ? -40.328 44.885 -22.362 1.00 40.60 ? 198 TRP H CH2 1 ATOM 11578 N N . GLN H 4 200 ? -45.489 46.216 -17.769 1.00 46.91 ? 199 GLN H N 1 ATOM 11579 C CA . GLN H 4 200 ? -46.594 46.776 -18.551 1.00 49.44 ? 199 GLN H CA 1 ATOM 11580 C C . GLN H 4 200 ? -46.650 48.304 -18.521 1.00 50.58 ? 199 GLN H C 1 ATOM 11581 O O . GLN H 4 200 ? -47.412 48.918 -19.270 1.00 53.11 ? 199 GLN H O 1 ATOM 11582 C CB . GLN H 4 200 ? -47.932 46.178 -18.105 1.00 51.55 ? 199 GLN H CB 1 ATOM 11583 C CG . GLN H 4 200 ? -48.171 44.750 -18.594 1.00 51.41 ? 199 GLN H CG 1 ATOM 11584 C CD . GLN H 4 200 ? -49.278 44.035 -17.838 1.00 52.49 ? 199 GLN H CD 1 ATOM 11585 O OE1 . GLN H 4 200 ? -49.745 44.501 -16.797 1.00 52.62 ? 199 GLN H OE1 1 ATOM 11586 N NE2 . GLN H 4 200 ? -49.702 42.892 -18.361 1.00 53.49 ? 199 GLN H NE2 1 ATOM 11587 N N . ASN H 4 201 ? -45.836 48.906 -17.659 1.00 49.33 ? 200 ASN H N 1 ATOM 11588 C CA . ASN H 4 201 ? -45.745 50.355 -17.522 1.00 50.54 ? 200 ASN H CA 1 ATOM 11589 C C . ASN H 4 201 ? -44.846 50.942 -18.610 1.00 49.94 ? 200 ASN H C 1 ATOM 11590 O O . ASN H 4 201 ? -43.636 50.711 -18.598 1.00 47.65 ? 200 ASN H O 1 ATOM 11591 C CB . ASN H 4 201 ? -45.200 50.695 -16.130 1.00 49.86 ? 200 ASN H CB 1 ATOM 11592 C CG . ASN H 4 201 ? -45.304 52.171 -15.788 1.00 52.05 ? 200 ASN H CG 1 ATOM 11593 O OD1 . ASN H 4 201 ? -45.662 53.004 -16.621 1.00 54.57 ? 200 ASN H OD1 1 ATOM 11594 N ND2 . ASN H 4 201 ? -44.981 52.501 -14.544 1.00 52.16 ? 200 ASN H ND2 1 ATOM 11595 N N . PRO H 4 202 ? -45.429 51.715 -19.548 1.00 52.41 ? 201 PRO H N 1 ATOM 11596 C CA . PRO H 4 202 ? -44.671 52.274 -20.677 1.00 52.56 ? 201 PRO H CA 1 ATOM 11597 C C . PRO H 4 202 ? -43.641 53.333 -20.270 1.00 52.25 ? 201 PRO H C 1 ATOM 11598 O O . PRO H 4 202 ? -42.865 53.795 -21.110 1.00 52.22 ? 201 PRO H O 1 ATOM 11599 C CB . PRO H 4 202 ? -45.761 52.904 -21.550 1.00 55.91 ? 201 PRO H CB 1 ATOM 11600 C CG . PRO H 4 202 ? -46.852 53.233 -20.600 1.00 57.77 ? 201 PRO H CG 1 ATOM 11601 C CD . PRO H 4 202 ? -46.843 52.136 -19.579 1.00 55.60 ? 201 PRO H CD 1 ATOM 11602 N N . ARG H 4 203 ? -43.639 53.698 -18.991 1.00 52.42 ? 202 ARG H N 1 ATOM 11603 C CA . ARG H 4 203 ? -42.745 54.730 -18.470 1.00 52.81 ? 202 ARG H CA 1 ATOM 11604 C C . ARG H 4 203 ? -41.448 54.169 -17.886 1.00 49.72 ? 202 ARG H C 1 ATOM 11605 O O . ARG H 4 203 ? -40.612 54.923 -17.386 1.00 49.82 ? 202 ARG H O 1 ATOM 11606 C CB . ARG H 4 203 ? -43.474 55.583 -17.430 1.00 55.38 ? 202 ARG H CB 1 ATOM 11607 C CG . ARG H 4 203 ? -44.564 56.458 -18.022 1.00 59.76 ? 202 ARG H CG 1 ATOM 11608 C CD . ARG H 4 203 ? -45.272 57.274 -16.957 1.00 63.83 ? 202 ARG H CD 1 ATOM 11609 N NE . ARG H 4 203 ? -44.363 58.198 -16.282 1.00 64.91 ? 202 ARG H NE 1 ATOM 11610 C CZ . ARG H 4 203 ? -44.727 59.362 -15.751 1.00 68.75 ? 202 ARG H CZ 1 ATOM 11611 N NH1 . ARG H 4 203 ? -45.991 59.770 -15.819 1.00 71.80 ? 202 ARG H NH1 1 ATOM 11612 N NH2 . ARG H 4 203 ? -43.820 60.127 -15.158 1.00 69.38 ? 202 ARG H NH2 1 ATOM 11613 N N . ASN H 4 204 ? -41.283 52.851 -17.959 1.00 47.38 ? 203 ASN H N 1 ATOM 11614 C CA . ASN H 4 204 ? -40.079 52.198 -17.456 1.00 44.81 ? 203 ASN H CA 1 ATOM 11615 C C . ASN H 4 204 ? -39.088 51.852 -18.565 1.00 43.51 ? 203 ASN H C 1 ATOM 11616 O O . ASN H 4 204 ? -39.440 51.187 -19.542 1.00 43.68 ? 203 ASN H O 1 ATOM 11617 C CB . ASN H 4 204 ? -40.442 50.949 -16.648 1.00 43.54 ? 203 ASN H CB 1 ATOM 11618 C CG . ASN H 4 204 ? -41.133 51.279 -15.333 1.00 44.88 ? 203 ASN H CG 1 ATOM 11619 O OD1 . ASN H 4 204 ? -40.999 52.382 -14.799 1.00 46.06 ? 203 ASN H OD1 1 ATOM 11620 N ND2 . ASN H 4 204 ? -41.874 50.315 -14.802 1.00 44.79 ? 203 ASN H ND2 1 ATOM 11621 N N . HIS H 4 205 ? -37.849 52.309 -18.403 1.00 42.71 ? 204 HIS H N 1 ATOM 11622 C CA . HIS H 4 205 ? -36.793 52.074 -19.381 1.00 41.60 ? 204 HIS H CA 1 ATOM 11623 C C . HIS H 4 205 ? -35.894 50.927 -18.933 1.00 39.13 ? 204 HIS H C 1 ATOM 11624 O O . HIS H 4 205 ? -35.237 51.017 -17.896 1.00 38.42 ? 204 HIS H O 1 ATOM 11625 C CB . HIS H 4 205 ? -35.973 53.347 -19.574 1.00 42.81 ? 204 HIS H CB 1 ATOM 11626 C CG . HIS H 4 205 ? -35.091 53.324 -20.783 1.00 43.25 ? 204 HIS H CG 1 ATOM 11627 N ND1 . HIS H 4 205 ? -35.565 53.563 -22.054 1.00 45.56 ? 204 HIS H ND1 1 ATOM 11628 C CD2 . HIS H 4 205 ? -33.762 53.103 -20.914 1.00 42.66 ? 204 HIS H CD2 1 ATOM 11629 C CE1 . HIS H 4 205 ? -34.568 53.489 -22.917 1.00 45.53 ? 204 HIS H CE1 1 ATOM 11630 N NE2 . HIS H 4 205 ? -33.462 53.210 -22.251 1.00 43.92 ? 204 HIS H NE2 1 ATOM 11631 N N . PHE H 4 206 ? -35.875 49.852 -19.720 1.00 38.25 ? 205 PHE H N 1 ATOM 11632 C CA . PHE H 4 206 ? -35.078 48.661 -19.418 1.00 36.44 ? 205 PHE H CA 1 ATOM 11633 C C . PHE H 4 206 ? -33.867 48.556 -20.340 1.00 35.97 ? 205 PHE H C 1 ATOM 11634 O O . PHE H 4 206 ? -33.992 48.703 -21.565 1.00 36.68 ? 205 PHE H O 1 ATOM 11635 C CB . PHE H 4 206 ? -35.930 47.397 -19.544 1.00 36.36 ? 205 PHE H CB 1 ATOM 11636 C CG . PHE H 4 206 ? -37.101 47.359 -18.611 1.00 37.24 ? 205 PHE H CG 1 ATOM 11637 C CD1 . PHE H 4 206 ? -38.329 47.893 -18.993 1.00 39.00 ? 205 PHE H CD1 1 ATOM 11638 C CD2 . PHE H 4 206 ? -36.980 46.787 -17.347 1.00 36.89 ? 205 PHE H CD2 1 ATOM 11639 C CE1 . PHE H 4 206 ? -39.418 47.863 -18.129 1.00 40.31 ? 205 PHE H CE1 1 ATOM 11640 C CE2 . PHE H 4 206 ? -38.061 46.749 -16.473 1.00 37.98 ? 205 PHE H CE2 1 ATOM 11641 C CZ . PHE H 4 206 ? -39.285 47.290 -16.863 1.00 39.85 ? 205 PHE H CZ 1 ATOM 11642 N N . ARG H 4 207 ? -32.700 48.291 -19.749 1.00 34.79 ? 206 ARG H N 1 ATOM 11643 C CA . ARG H 4 207 ? -31.454 48.239 -20.509 1.00 34.60 ? 206 ARG H CA 1 ATOM 11644 C C . ARG H 4 207 ? -30.463 47.200 -19.991 1.00 33.48 ? 206 ARG H C 1 ATOM 11645 O O . ARG H 4 207 ? -30.068 47.238 -18.827 1.00 33.05 ? 206 ARG H O 1 ATOM 11646 C CB . ARG H 4 207 ? -30.791 49.621 -20.544 1.00 35.35 ? 206 ARG H CB 1 ATOM 11647 C CG . ARG H 4 207 ? -29.536 49.677 -21.405 1.00 35.51 ? 206 ARG H CG 1 ATOM 11648 C CD . ARG H 4 207 ? -28.844 51.026 -21.331 1.00 36.54 ? 206 ARG H CD 1 ATOM 11649 N NE . ARG H 4 207 ? -29.632 52.109 -21.916 1.00 38.23 ? 206 ARG H NE 1 ATOM 11650 C CZ . ARG H 4 207 ? -29.659 52.412 -23.210 1.00 39.39 ? 206 ARG H CZ 1 ATOM 11651 N NH1 . ARG H 4 207 ? -30.408 53.423 -23.632 1.00 41.27 ? 206 ARG H NH1 1 ATOM 11652 N NH2 . ARG H 4 207 ? -28.947 51.708 -24.082 1.00 38.82 ? 206 ARG H NH2 1 ATOM 11653 N N . CYS H 4 208 ? -30.062 46.286 -20.872 1.00 33.65 ? 207 CYS H N 1 ATOM 11654 C CA . CYS H 4 208 ? -28.992 45.330 -20.586 1.00 33.19 ? 207 CYS H CA 1 ATOM 11655 C C . CYS H 4 208 ? -27.645 45.907 -21.019 1.00 32.97 ? 207 CYS H C 1 ATOM 11656 O O . CYS H 4 208 ? -27.425 46.149 -22.206 1.00 33.73 ? 207 CYS H O 1 ATOM 11657 C CB . CYS H 4 208 ? -29.223 43.997 -21.307 1.00 33.66 ? 207 CYS H CB 1 ATOM 11658 S SG . CYS H 4 208 ? -27.733 42.971 -21.240 1.00 35.89 ? 207 CYS H SG 1 ATOM 11659 N N . GLN H 4 209 ? -26.747 46.112 -20.060 1.00 32.30 ? 208 GLN H N 1 ATOM 11660 C CA . GLN H 4 209 ? -25.422 46.667 -20.344 1.00 32.50 ? 208 GLN H CA 1 ATOM 11661 C C . GLN H 4 209 ? -24.334 45.606 -20.232 1.00 32.32 ? 208 GLN H C 1 ATOM 11662 O O . GLN H 4 209 ? -24.325 44.820 -19.284 1.00 32.10 ? 208 GLN H O 1 ATOM 11663 C CB . GLN H 4 209 ? -25.116 47.836 -19.398 1.00 32.74 ? 208 GLN H CB 1 ATOM 11664 C CG . GLN H 4 209 ? -23.654 48.292 -19.387 1.00 33.49 ? 208 GLN H CG 1 ATOM 11665 C CD . GLN H 4 209 ? -23.399 49.430 -18.415 1.00 34.16 ? 208 GLN H CD 1 ATOM 11666 O OE1 . GLN H 4 209 ? -23.714 50.584 -18.698 1.00 35.40 ? 208 GLN H OE1 1 ATOM 11667 N NE2 . GLN H 4 209 ? -22.811 49.110 -17.269 1.00 33.78 ? 208 GLN H NE2 1 ATOM 11668 N N . VAL H 4 210 ? -23.425 45.588 -21.205 1.00 32.76 ? 209 VAL H N 1 ATOM 11669 C CA . VAL H 4 210 ? -22.229 44.750 -21.129 1.00 32.94 ? 209 VAL H CA 1 ATOM 11670 C C . VAL H 4 210 ? -20.968 45.607 -21.182 1.00 33.45 ? 209 VAL H C 1 ATOM 11671 O O . VAL H 4 210 ? -20.722 46.313 -22.162 1.00 34.20 ? 209 VAL H O 1 ATOM 11672 C CB . VAL H 4 210 ? -22.187 43.670 -22.239 1.00 33.74 ? 209 VAL H CB 1 ATOM 11673 C CG1 . VAL H 4 210 ? -20.863 42.919 -22.201 1.00 34.49 ? 209 VAL H CG1 1 ATOM 11674 C CG2 . VAL H 4 210 ? -23.335 42.692 -22.078 1.00 33.64 ? 209 VAL H CG2 1 ATOM 11675 N N . GLN H 4 211 ? -20.187 45.552 -20.109 1.00 33.40 ? 210 GLN H N 1 ATOM 11676 C CA . GLN H 4 211 ? -18.879 46.189 -20.071 1.00 34.35 ? 210 GLN H CA 1 ATOM 11677 C C . GLN H 4 211 ? -17.853 45.201 -20.620 1.00 35.09 ? 210 GLN H C 1 ATOM 11678 O O . GLN H 4 211 ? -17.600 44.158 -20.020 1.00 35.25 ? 210 GLN H O 1 ATOM 11679 C CB . GLN H 4 211 ? -18.533 46.614 -18.637 1.00 34.46 ? 210 GLN H CB 1 ATOM 11680 C CG . GLN H 4 211 ? -17.142 47.223 -18.452 1.00 36.35 ? 210 GLN H CG 1 ATOM 11681 C CD . GLN H 4 211 ? -17.042 48.657 -18.942 1.00 38.14 ? 210 GLN H CD 1 ATOM 11682 O OE1 . GLN H 4 211 ? -16.292 48.954 -19.871 1.00 39.78 ? 210 GLN H OE1 1 ATOM 11683 N NE2 . GLN H 4 211 ? -17.799 49.554 -18.318 1.00 38.45 ? 210 GLN H NE2 1 ATOM 11684 N N . PHE H 4 212 ? -17.288 45.524 -21.777 1.00 35.94 ? 211 PHE H N 1 ATOM 11685 C CA . PHE H 4 212 ? -16.255 44.703 -22.397 1.00 37.19 ? 211 PHE H CA 1 ATOM 11686 C C . PHE H 4 212 ? -14.877 45.266 -22.090 1.00 38.52 ? 211 PHE H C 1 ATOM 11687 O O . PHE H 4 212 ? -14.661 46.475 -22.174 1.00 38.98 ? 211 PHE H O 1 ATOM 11688 C CB . PHE H 4 212 ? -16.468 44.653 -23.909 1.00 37.98 ? 211 PHE H CB 1 ATOM 11689 C CG . PHE H 4 212 ? -15.354 43.979 -24.669 1.00 39.51 ? 211 PHE H CG 1 ATOM 11690 C CD1 . PHE H 4 212 ? -15.243 42.591 -24.688 1.00 40.05 ? 211 PHE H CD1 1 ATOM 11691 C CD2 . PHE H 4 212 ? -14.433 44.733 -25.388 1.00 40.33 ? 211 PHE H CD2 1 ATOM 11692 C CE1 . PHE H 4 212 ? -14.225 41.969 -25.399 1.00 41.70 ? 211 PHE H CE1 1 ATOM 11693 C CE2 . PHE H 4 212 ? -13.414 44.121 -26.100 1.00 41.94 ? 211 PHE H CE2 1 ATOM 11694 C CZ . PHE H 4 212 ? -13.310 42.738 -26.108 1.00 43.07 ? 211 PHE H CZ 1 ATOM 11695 N N . TYR H 4 213 ? -13.948 44.386 -21.735 1.00 39.52 ? 212 TYR H N 1 ATOM 11696 C CA . TYR H 4 213 ? -12.565 44.787 -21.510 1.00 41.11 ? 212 TYR H CA 1 ATOM 11697 C C . TYR H 4 213 ? -11.674 44.267 -22.630 1.00 42.93 ? 212 TYR H C 1 ATOM 11698 O O . TYR H 4 213 ? -11.540 43.055 -22.825 1.00 43.53 ? 212 TYR H O 1 ATOM 11699 C CB . TYR H 4 213 ? -12.071 44.304 -20.147 1.00 41.45 ? 212 TYR H CB 1 ATOM 11700 C CG . TYR H 4 213 ? -12.754 44.988 -18.986 1.00 40.47 ? 212 TYR H CG 1 ATOM 11701 C CD1 . TYR H 4 213 ? -13.912 44.452 -18.421 1.00 38.99 ? 212 TYR H CD1 1 ATOM 11702 C CD2 . TYR H 4 213 ? -12.245 46.175 -18.452 1.00 41.22 ? 212 TYR H CD2 1 ATOM 11703 C CE1 . TYR H 4 213 ? -14.545 45.077 -17.355 1.00 38.35 ? 212 TYR H CE1 1 ATOM 11704 C CE2 . TYR H 4 213 ? -12.872 46.809 -17.385 1.00 40.49 ? 212 TYR H CE2 1 ATOM 11705 C CZ . TYR H 4 213 ? -14.021 46.254 -16.845 1.00 39.10 ? 212 TYR H CZ 1 ATOM 11706 O OH . TYR H 4 213 ? -14.650 46.870 -15.794 1.00 39.29 ? 212 TYR H OH 1 ATOM 11707 N N . GLY H 4 214 ? -11.084 45.201 -23.370 1.00 44.03 ? 213 GLY H N 1 ATOM 11708 C CA . GLY H 4 214 ? -10.205 44.873 -24.480 1.00 46.24 ? 213 GLY H CA 1 ATOM 11709 C C . GLY H 4 214 ? -8.947 45.709 -24.449 1.00 48.29 ? 213 GLY H C 1 ATOM 11710 O O . GLY H 4 214 ? -8.255 45.766 -23.433 1.00 48.82 ? 213 GLY H O 1 ATOM 11711 N N . LEU H 4 215 ? -8.662 46.367 -25.567 1.00 49.87 ? 214 LEU H N 1 ATOM 11712 C CA . LEU H 4 215 ? -7.450 47.162 -25.720 1.00 52.41 ? 214 LEU H CA 1 ATOM 11713 C C . LEU H 4 215 ? -7.625 48.589 -25.211 1.00 52.37 ? 214 LEU H C 1 ATOM 11714 O O . LEU H 4 215 ? -8.742 49.104 -25.145 1.00 50.63 ? 214 LEU H O 1 ATOM 11715 C CB . LEU H 4 215 ? -7.023 47.183 -27.190 1.00 54.63 ? 214 LEU H CB 1 ATOM 11716 C CG . LEU H 4 215 ? -6.103 46.085 -27.737 1.00 56.79 ? 214 LEU H CG 1 ATOM 11717 C CD1 . LEU H 4 215 ? -6.644 44.671 -27.517 1.00 55.49 ? 214 LEU H CD1 1 ATOM 11718 C CD2 . LEU H 4 215 ? -5.857 46.332 -29.216 1.00 59.11 ? 214 LEU H CD2 1 ATOM 11719 N N . SER H 4 216 ? -6.511 49.213 -24.838 1.00 54.73 ? 215 SER H N 1 ATOM 11720 C CA . SER H 4 216 ? -6.490 50.636 -24.507 1.00 55.86 ? 215 SER H CA 1 ATOM 11721 C C . SER H 4 216 ? -5.981 51.417 -25.719 1.00 58.73 ? 215 SER H C 1 ATOM 11722 O O . SER H 4 216 ? -5.621 50.821 -26.740 1.00 59.88 ? 215 SER H O 1 ATOM 11723 C CB . SER H 4 216 ? -5.621 50.904 -23.269 1.00 56.95 ? 215 SER H CB 1 ATOM 11724 O OG . SER H 4 216 ? -4.238 50.792 -23.564 1.00 59.75 ? 215 SER H OG 1 ATOM 11725 N N . GLU H 4 217 ? -5.949 52.743 -25.603 1.00 60.41 ? 216 GLU H N 1 ATOM 11726 C CA . GLU H 4 217 ? -5.504 53.609 -26.699 1.00 63.53 ? 216 GLU H CA 1 ATOM 11727 C C . GLU H 4 217 ? -3.979 53.654 -26.859 1.00 66.78 ? 216 GLU H C 1 ATOM 11728 O O . GLU H 4 217 ? -3.472 54.225 -27.825 1.00 69.66 ? 216 GLU H O 1 ATOM 11729 C CB . GLU H 4 217 ? -6.090 55.020 -26.542 1.00 64.44 ? 216 GLU H CB 1 ATOM 11730 C CG . GLU H 4 217 ? -7.517 55.187 -27.092 1.00 63.14 ? 216 GLU H CG 1 ATOM 11731 C CD . GLU H 4 217 ? -8.605 54.589 -26.195 1.00 60.12 ? 216 GLU H CD 1 ATOM 11732 O OE1 . GLU H 4 217 ? -9.543 55.330 -25.830 1.00 59.73 ? 216 GLU H OE1 1 ATOM 11733 O OE2 . GLU H 4 217 ? -8.533 53.385 -25.858 1.00 58.22 ? 216 GLU H OE2 1 ATOM 11734 N N . ASN H 4 218 ? -3.256 53.051 -25.917 1.00 66.76 ? 217 ASN H N 1 ATOM 11735 C CA . ASN H 4 218 ? -1.792 52.978 -25.987 1.00 70.01 ? 217 ASN H CA 1 ATOM 11736 C C . ASN H 4 218 ? -1.277 51.688 -26.646 1.00 70.37 ? 217 ASN H C 1 ATOM 11737 O O . ASN H 4 218 ? -0.083 51.568 -26.944 1.00 73.35 ? 217 ASN H O 1 ATOM 11738 C CB . ASN H 4 218 ? -1.175 53.157 -24.594 1.00 70.64 ? 217 ASN H CB 1 ATOM 11739 N N . ASP H 4 219 ? -2.183 50.735 -26.871 1.00 67.62 ? 218 ASP H N 1 ATOM 11740 C CA . ASP H 4 219 ? -1.847 49.457 -27.503 1.00 68.07 ? 218 ASP H CA 1 ATOM 11741 C C . ASP H 4 219 ? -1.826 49.565 -29.029 1.00 69.85 ? 218 ASP H C 1 ATOM 11742 O O . ASP H 4 219 ? -2.541 50.382 -29.610 1.00 69.48 ? 218 ASP H O 1 ATOM 11743 C CB . ASP H 4 219 ? -2.838 48.368 -27.072 1.00 64.97 ? 218 ASP H CB 1 ATOM 11744 C CG . ASP H 4 219 ? -2.763 48.055 -25.582 1.00 63.91 ? 218 ASP H CG 1 ATOM 11745 O OD1 . ASP H 4 219 ? -1.646 48.067 -25.016 1.00 66.22 ? 218 ASP H OD1 1 ATOM 11746 O OD2 . ASP H 4 219 ? -3.825 47.782 -24.979 1.00 60.98 ? 218 ASP H OD2 1 ATOM 11747 N N . GLU H 4 220 ? -1.005 48.731 -29.665 1.00 72.06 ? 219 GLU H N 1 ATOM 11748 C CA . GLU H 4 220 ? -0.886 48.706 -31.124 1.00 74.39 ? 219 GLU H CA 1 ATOM 11749 C C . GLU H 4 220 ? -1.964 47.829 -31.768 1.00 72.66 ? 219 GLU H C 1 ATOM 11750 O O . GLU H 4 220 ? -2.380 46.818 -31.194 1.00 70.55 ? 219 GLU H O 1 ATOM 11751 C CB . GLU H 4 220 ? 0.510 48.232 -31.545 1.00 78.13 ? 219 GLU H CB 1 ATOM 11752 N N . TRP H 4 221 ? -2.406 48.231 -32.961 1.00 73.87 ? 220 TRP H N 1 ATOM 11753 C CA . TRP H 4 221 ? -3.437 47.517 -33.720 1.00 72.90 ? 220 TRP H CA 1 ATOM 11754 C C . TRP H 4 221 ? -3.254 47.772 -35.216 1.00 76.42 ? 220 TRP H C 1 ATOM 11755 O O . TRP H 4 221 ? -3.247 48.924 -35.666 1.00 77.76 ? 220 TRP H O 1 ATOM 11756 C CB . TRP H 4 221 ? -4.833 47.949 -33.261 1.00 69.31 ? 220 TRP H CB 1 ATOM 11757 C CG . TRP H 4 221 ? -5.969 47.200 -33.903 1.00 68.13 ? 220 TRP H CG 1 ATOM 11758 C CD1 . TRP H 4 221 ? -6.785 47.650 -34.900 1.00 68.91 ? 220 TRP H CD1 1 ATOM 11759 C CD2 . TRP H 4 221 ? -6.419 45.877 -33.584 1.00 66.51 ? 220 TRP H CD2 1 ATOM 11760 N NE1 . TRP H 4 221 ? -7.715 46.691 -35.224 1.00 67.89 ? 220 TRP H NE1 1 ATOM 11761 C CE2 . TRP H 4 221 ? -7.511 45.591 -34.433 1.00 66.46 ? 220 TRP H CE2 1 ATOM 11762 C CE3 . TRP H 4 221 ? -6.005 44.903 -32.666 1.00 65.73 ? 220 TRP H CE3 1 ATOM 11763 C CZ2 . TRP H 4 221 ? -8.198 44.373 -34.390 1.00 65.65 ? 220 TRP H CZ2 1 ATOM 11764 C CZ3 . TRP H 4 221 ? -6.687 43.690 -32.624 1.00 64.83 ? 220 TRP H CZ3 1 ATOM 11765 C CH2 . TRP H 4 221 ? -7.769 43.436 -33.484 1.00 64.83 ? 220 TRP H CH2 1 ATOM 11766 N N . THR H 4 222 ? -3.103 46.691 -35.979 1.00 78.27 ? 221 THR H N 1 ATOM 11767 C CA . THR H 4 222 ? -2.785 46.782 -37.406 1.00 82.34 ? 221 THR H CA 1 ATOM 11768 C C . THR H 4 222 ? -3.824 46.104 -38.306 1.00 82.62 ? 221 THR H C 1 ATOM 11769 O O . THR H 4 222 ? -3.779 46.248 -39.533 1.00 86.01 ? 221 THR H O 1 ATOM 11770 C CB . THR H 4 222 ? -1.384 46.194 -37.714 1.00 86.07 ? 221 THR H CB 1 ATOM 11771 O OG1 . THR H 4 222 ? -1.329 44.829 -37.283 1.00 85.34 ? 221 THR H OG1 1 ATOM 11772 C CG2 . THR H 4 222 ? -0.284 46.994 -37.013 1.00 86.77 ? 221 THR H CG2 1 ATOM 11773 N N . GLN H 4 223 ? -4.754 45.375 -37.691 1.00 79.40 ? 222 GLN H N 1 ATOM 11774 C CA . GLN H 4 223 ? -5.767 44.599 -38.415 1.00 79.75 ? 222 GLN H CA 1 ATOM 11775 C C . GLN H 4 223 ? -6.712 45.478 -39.241 1.00 80.22 ? 222 GLN H C 1 ATOM 11776 O O . GLN H 4 223 ? -6.876 46.671 -38.960 1.00 79.14 ? 222 GLN H O 1 ATOM 11777 C CB . GLN H 4 223 ? -6.584 43.743 -37.440 1.00 76.11 ? 222 GLN H CB 1 ATOM 11778 C CG . GLN H 4 223 ? -5.762 42.825 -36.537 1.00 76.10 ? 222 GLN H CG 1 ATOM 11779 C CD . GLN H 4 223 ? -5.600 41.426 -37.099 1.00 79.05 ? 222 GLN H CD 1 ATOM 11780 O OE1 . GLN H 4 223 ? -6.292 40.497 -36.679 1.00 77.78 ? 222 GLN H OE1 1 ATOM 11781 N NE2 . GLN H 4 223 ? -4.688 41.267 -38.052 1.00 83.18 ? 222 GLN H NE2 1 ATOM 11782 N N . ASP H 4 224 ? -7.331 44.872 -40.255 1.00 82.24 ? 223 ASP H N 1 ATOM 11783 C CA . ASP H 4 224 ? -8.302 45.561 -41.113 1.00 83.07 ? 223 ASP H CA 1 ATOM 11784 C C . ASP H 4 224 ? -9.657 45.777 -40.423 1.00 78.91 ? 223 ASP H C 1 ATOM 11785 O O . ASP H 4 224 ? -10.517 46.486 -40.949 1.00 79.32 ? 223 ASP H O 1 ATOM 11786 C CB . ASP H 4 224 ? -8.482 44.813 -42.441 1.00 87.17 ? 223 ASP H CB 1 ATOM 11787 N N . ARG H 4 225 ? -9.837 45.162 -39.253 1.00 75.28 ? 224 ARG H N 1 ATOM 11788 C CA . ARG H 4 225 ? -11.012 45.398 -38.407 1.00 71.26 ? 224 ARG H CA 1 ATOM 11789 C C . ARG H 4 225 ? -10.851 46.696 -37.609 1.00 69.25 ? 224 ARG H C 1 ATOM 11790 O O . ARG H 4 225 ? -9.823 47.373 -37.713 1.00 71.03 ? 224 ARG H O 1 ATOM 11791 C CB . ARG H 4 225 ? -11.246 44.213 -37.461 1.00 68.63 ? 224 ARG H CB 1 ATOM 11792 N N . ALA H 4 226 ? -11.871 47.042 -36.825 1.00 65.95 ? 225 ALA H N 1 ATOM 11793 C CA . ALA H 4 226 ? -11.824 48.222 -35.959 1.00 64.13 ? 225 ALA H CA 1 ATOM 11794 C C . ALA H 4 226 ? -11.291 47.852 -34.576 1.00 61.48 ? 225 ALA H C 1 ATOM 11795 O O . ALA H 4 226 ? -11.555 46.750 -34.078 1.00 59.87 ? 225 ALA H O 1 ATOM 11796 C CB . ALA H 4 226 ? -13.204 48.852 -35.846 1.00 62.51 ? 225 ALA H CB 1 ATOM 11797 N N . LYS H 4 227 ? -10.548 48.776 -33.962 1.00 61.33 ? 226 LYS H N 1 ATOM 11798 C CA . LYS H 4 227 ? -9.970 48.558 -32.628 1.00 59.24 ? 226 LYS H CA 1 ATOM 11799 C C . LYS H 4 227 ? -10.987 48.050 -31.613 1.00 55.53 ? 226 LYS H C 1 ATOM 11800 O O . LYS H 4 227 ? -12.001 48.705 -31.365 1.00 54.09 ? 226 LYS H O 1 ATOM 11801 C CB . LYS H 4 227 ? -9.301 49.826 -32.090 1.00 59.90 ? 226 LYS H CB 1 ATOM 11802 C CG . LYS H 4 227 ? -7.832 49.942 -32.440 1.00 63.13 ? 226 LYS H CG 1 ATOM 11803 C CD . LYS H 4 227 ? -7.114 50.953 -31.558 1.00 63.80 ? 226 LYS H CD 1 ATOM 11804 C CE . LYS H 4 227 ? -6.642 50.330 -30.257 1.00 61.90 ? 226 LYS H CE 1 ATOM 11805 N NZ . LYS H 4 227 ? -5.958 51.337 -29.404 1.00 63.15 ? 226 LYS H NZ 1 ATOM 11806 N N . PRO H 4 228 ? -10.718 46.873 -31.027 1.00 54.40 ? 227 PRO H N 1 ATOM 11807 C CA . PRO H 4 228 ? -11.556 46.307 -29.977 1.00 51.37 ? 227 PRO H CA 1 ATOM 11808 C C . PRO H 4 228 ? -11.183 46.875 -28.609 1.00 49.80 ? 227 PRO H C 1 ATOM 11809 O O . PRO H 4 228 ? -10.715 46.145 -27.730 1.00 49.26 ? 227 PRO H O 1 ATOM 11810 C CB . PRO H 4 228 ? -11.255 44.806 -30.052 1.00 52.02 ? 227 PRO H CB 1 ATOM 11811 C CG . PRO H 4 228 ? -10.017 44.666 -30.907 1.00 55.26 ? 227 PRO H CG 1 ATOM 11812 C CD . PRO H 4 228 ? -9.557 46.018 -31.323 1.00 56.50 ? 227 PRO H CD 1 ATOM 11813 N N . VAL H 4 229 ? -11.388 48.178 -28.445 1.00 49.46 ? 228 VAL H N 1 ATOM 11814 C CA . VAL H 4 229 ? -11.081 48.863 -27.193 1.00 48.45 ? 228 VAL H CA 1 ATOM 11815 C C . VAL H 4 229 ? -12.094 48.527 -26.099 1.00 45.65 ? 228 VAL H C 1 ATOM 11816 O O . VAL H 4 229 ? -13.208 48.081 -26.389 1.00 44.31 ? 228 VAL H O 1 ATOM 11817 C CB . VAL H 4 229 ? -11.002 50.407 -27.375 1.00 49.78 ? 228 VAL H CB 1 ATOM 11818 C CG1 . VAL H 4 229 ? -9.769 50.793 -28.180 1.00 52.71 ? 228 VAL H CG1 1 ATOM 11819 C CG2 . VAL H 4 229 ? -12.275 50.958 -28.019 1.00 49.05 ? 228 VAL H CG2 1 ATOM 11820 N N . THR H 4 230 ? -11.689 48.736 -24.847 1.00 44.93 ? 229 THR H N 1 ATOM 11821 C CA . THR H 4 230 ? -12.586 48.652 -23.702 1.00 42.65 ? 229 THR H CA 1 ATOM 11822 C C . THR H 4 230 ? -13.789 49.552 -23.973 1.00 41.95 ? 229 THR H C 1 ATOM 11823 O O . THR H 4 230 ? -13.627 50.747 -24.226 1.00 43.39 ? 229 THR H O 1 ATOM 11824 C CB . THR H 4 230 ? -11.868 49.104 -22.411 1.00 43.07 ? 229 THR H CB 1 ATOM 11825 O OG1 . THR H 4 230 ? -10.680 48.327 -22.227 1.00 43.96 ? 229 THR H OG1 1 ATOM 11826 C CG2 . THR H 4 230 ? -12.768 48.947 -21.188 1.00 41.34 ? 229 THR H CG2 1 ATOM 11827 N N . GLN H 4 231 ? -14.987 48.972 -23.943 1.00 40.15 ? 230 GLN H N 1 ATOM 11828 C CA . GLN H 4 231 ? -16.204 49.705 -24.306 1.00 39.67 ? 230 GLN H CA 1 ATOM 11829 C C . GLN H 4 231 ? -17.485 49.120 -23.699 1.00 37.71 ? 230 GLN H C 1 ATOM 11830 O O . GLN H 4 231 ? -17.499 47.990 -23.208 1.00 36.76 ? 230 GLN H O 1 ATOM 11831 C CB . GLN H 4 231 ? -16.335 49.793 -25.834 1.00 40.82 ? 230 GLN H CB 1 ATOM 11832 C CG . GLN H 4 231 ? -16.695 48.480 -26.512 1.00 40.17 ? 230 GLN H CG 1 ATOM 11833 C CD . GLN H 4 231 ? -16.418 48.491 -27.996 1.00 41.85 ? 230 GLN H CD 1 ATOM 11834 O OE1 . GLN H 4 231 ? -17.341 48.462 -28.809 1.00 42.36 ? 230 GLN H OE1 1 ATOM 11835 N NE2 . GLN H 4 231 ? -15.143 48.534 -28.360 1.00 43.66 ? 230 GLN H NE2 1 ATOM 11836 N N . ILE H 4 232 ? -18.556 49.906 -23.744 1.00 37.49 ? 231 ILE H N 1 ATOM 11837 C CA . ILE H 4 232 ? -19.864 49.474 -23.269 1.00 36.03 ? 231 ILE H CA 1 ATOM 11838 C C . ILE H 4 232 ? -20.766 49.181 -24.463 1.00 36.26 ? 231 ILE H C 1 ATOM 11839 O O . ILE H 4 232 ? -20.868 49.989 -25.389 1.00 37.76 ? 231 ILE H O 1 ATOM 11840 C CB . ILE H 4 232 ? -20.504 50.537 -22.330 1.00 35.96 ? 231 ILE H CB 1 ATOM 11841 C CG1 . ILE H 4 232 ? -19.862 50.464 -20.942 1.00 35.86 ? 231 ILE H CG1 1 ATOM 11842 C CG2 . ILE H 4 232 ? -22.019 50.351 -22.219 1.00 34.84 ? 231 ILE H CG2 1 ATOM 11843 C CD1 . ILE H 4 232 ? -19.878 51.773 -20.175 1.00 37.63 ? 231 ILE H CD1 1 ATOM 11844 N N . VAL H 4 233 ? -21.390 48.008 -24.452 1.00 35.21 ? 232 VAL H N 1 ATOM 11845 C CA . VAL H 4 233 ? -22.381 47.656 -25.463 1.00 35.61 ? 232 VAL H CA 1 ATOM 11846 C C . VAL H 4 233 ? -23.668 47.288 -24.745 1.00 34.46 ? 232 VAL H C 1 ATOM 11847 O O . VAL H 4 233 ? -23.673 46.430 -23.860 1.00 33.45 ? 232 VAL H O 1 ATOM 11848 C CB . VAL H 4 233 ? -21.924 46.490 -26.385 1.00 36.43 ? 232 VAL H CB 1 ATOM 11849 C CG1 . VAL H 4 233 ? -22.905 46.308 -27.540 1.00 36.99 ? 232 VAL H CG1 1 ATOM 11850 C CG2 . VAL H 4 233 ? -20.515 46.733 -26.922 1.00 37.40 ? 232 VAL H CG2 1 ATOM 11851 N N . SER H 4 234 ? -24.753 47.949 -25.130 1.00 35.01 ? 233 SER H N 1 ATOM 11852 C CA . SER H 4 234 ? -26.025 47.800 -24.444 1.00 34.38 ? 233 SER H CA 1 ATOM 11853 C C . SER H 4 234 ? -27.200 47.687 -25.407 1.00 35.58 ? 233 SER H C 1 ATOM 11854 O O . SER H 4 234 ? -27.121 48.106 -26.563 1.00 37.18 ? 233 SER H O 1 ATOM 11855 C CB . SER H 4 234 ? -26.247 48.975 -23.482 1.00 34.23 ? 233 SER H CB 1 ATOM 11856 O OG . SER H 4 234 ? -26.290 50.216 -24.176 1.00 35.93 ? 233 SER H OG 1 ATOM 11857 N N . ALA H 4 235 ? -28.285 47.106 -24.914 1.00 35.16 ? 234 ALA H N 1 ATOM 11858 C CA . ALA H 4 235 ? -29.536 47.045 -25.644 1.00 36.54 ? 234 ALA H CA 1 ATOM 11859 C C . ALA H 4 235 ? -30.643 47.533 -24.725 1.00 36.43 ? 234 ALA H C 1 ATOM 11860 O O . ALA H 4 235 ? -30.605 47.297 -23.516 1.00 35.05 ? 234 ALA H O 1 ATOM 11861 C CB . ALA H 4 235 ? -29.808 45.633 -26.117 1.00 36.81 ? 234 ALA H CB 1 ATOM 11862 N N . GLU H 4 236 ? -31.617 48.224 -25.306 1.00 38.35 ? 235 GLU H N 1 ATOM 11863 C CA . GLU H 4 236 ? -32.689 48.857 -24.550 1.00 39.03 ? 235 GLU H CA 1 ATOM 11864 C C . GLU H 4 236 ? -34.043 48.292 -24.961 1.00 40.14 ? 235 GLU H C 1 ATOM 11865 O O . GLU H 4 236 ? -34.165 47.667 -26.015 1.00 41.43 ? 235 GLU H O 1 ATOM 11866 C CB . GLU H 4 236 ? -32.664 50.375 -24.776 1.00 40.65 ? 235 GLU H CB 1 ATOM 11867 C CG . GLU H 4 236 ? -33.161 50.818 -26.157 1.00 44.34 ? 235 GLU H CG 1 ATOM 11868 C CD . GLU H 4 236 ? -32.836 52.270 -26.488 1.00 48.53 ? 235 GLU H CD 1 ATOM 11869 O OE1 . GLU H 4 236 ? -32.059 52.907 -25.738 1.00 48.52 ? 235 GLU H OE1 1 ATOM 11870 O OE2 . GLU H 4 236 ? -33.355 52.775 -27.514 1.00 51.49 ? 235 GLU H OE2 1 ATOM 11871 N N . ALA H 4 237 ? -35.051 48.514 -24.121 1.00 40.29 ? 236 ALA H N 1 ATOM 11872 C CA . ALA H 4 237 ? -36.447 48.216 -24.451 1.00 41.69 ? 236 ALA H CA 1 ATOM 11873 C C . ALA H 4 237 ? -37.381 48.910 -23.467 1.00 42.10 ? 236 ALA H C 1 ATOM 11874 O O . ALA H 4 237 ? -37.176 48.845 -22.255 1.00 40.74 ? 236 ALA H O 1 ATOM 11875 C CB . ALA H 4 237 ? -36.703 46.708 -24.455 1.00 41.29 ? 236 ALA H CB 1 ATOM 11876 N N . TRP H 4 238 ? -38.403 49.576 -23.994 1.00 44.36 ? 237 TRP H N 1 ATOM 11877 C CA . TRP H 4 238 ? -39.414 50.214 -23.156 1.00 45.45 ? 237 TRP H CA 1 ATOM 11878 C C . TRP H 4 238 ? -40.535 49.241 -22.799 1.00 45.77 ? 237 TRP H C 1 ATOM 11879 O O . TRP H 4 238 ? -40.855 48.344 -23.579 1.00 46.31 ? 237 TRP H O 1 ATOM 11880 C CB . TRP H 4 238 ? -39.995 51.429 -23.866 1.00 48.18 ? 237 TRP H CB 1 ATOM 11881 C CG . TRP H 4 238 ? -39.078 52.606 -23.901 1.00 48.66 ? 237 TRP H CG 1 ATOM 11882 C CD1 . TRP H 4 238 ? -38.175 52.915 -24.878 1.00 49.16 ? 237 TRP H CD1 1 ATOM 11883 C CD2 . TRP H 4 238 ? -38.983 53.647 -22.921 1.00 49.30 ? 237 TRP H CD2 1 ATOM 11884 N NE1 . TRP H 4 238 ? -37.520 54.085 -24.566 1.00 50.02 ? 237 TRP H NE1 1 ATOM 11885 C CE2 . TRP H 4 238 ? -38.000 54.557 -23.372 1.00 50.03 ? 237 TRP H CE2 1 ATOM 11886 C CE3 . TRP H 4 238 ? -39.638 53.903 -21.707 1.00 49.53 ? 237 TRP H CE3 1 ATOM 11887 C CZ2 . TRP H 4 238 ? -37.648 55.701 -22.647 1.00 50.75 ? 237 TRP H CZ2 1 ATOM 11888 C CZ3 . TRP H 4 238 ? -39.286 55.040 -20.987 1.00 50.49 ? 237 TRP H CZ3 1 ATOM 11889 C CH2 . TRP H 4 238 ? -38.298 55.923 -21.460 1.00 51.10 ? 237 TRP H CH2 1 ATOM 11890 N N . GLY H 4 239 ? -41.127 49.425 -21.621 1.00 45.77 ? 238 GLY H N 1 ATOM 11891 C CA . GLY H 4 239 ? -42.270 48.621 -21.195 1.00 46.73 ? 238 GLY H CA 1 ATOM 11892 C C . GLY H 4 239 ? -43.530 48.944 -21.986 1.00 49.84 ? 238 GLY H C 1 ATOM 11893 O O . GLY H 4 239 ? -43.607 49.986 -22.641 1.00 51.54 ? 238 GLY H O 1 ATOM 11894 N N . ARG H 4 240 ? -44.520 48.054 -21.927 1.00 51.00 ? 239 ARG H N 1 ATOM 11895 C CA . ARG H 4 240 ? -45.742 48.217 -22.725 1.00 54.25 ? 239 ARG H CA 1 ATOM 11896 C C . ARG H 4 240 ? -46.951 47.475 -22.157 1.00 55.61 ? 239 ARG H C 1 ATOM 11897 O O . ARG H 4 240 ? -46.819 46.394 -21.581 1.00 54.34 ? 239 ARG H O 1 ATOM 11898 C CB . ARG H 4 240 ? -45.495 47.795 -24.182 1.00 55.14 ? 239 ARG H CB 1 ATOM 11899 C CG . ARG H 4 240 ? -45.013 46.356 -24.350 1.00 54.40 ? 239 ARG H CG 1 ATOM 11900 C CD . ARG H 4 240 ? -44.175 46.206 -25.605 1.00 55.61 ? 239 ARG H CD 1 ATOM 11901 N NE . ARG H 4 240 ? -42.786 46.600 -25.380 1.00 53.36 ? 239 ARG H NE 1 ATOM 11902 C CZ . ARG H 4 240 ? -41.980 47.090 -26.319 1.00 54.36 ? 239 ARG H CZ 1 ATOM 11903 N NH1 . ARG H 4 240 ? -42.417 47.267 -27.564 1.00 57.17 ? 239 ARG H NH1 1 ATOM 11904 N NH2 . ARG H 4 240 ? -40.730 47.414 -26.011 1.00 52.47 ? 239 ARG H NH2 1 ATOM 11905 N N . ALA H 4 241 ? -48.129 48.064 -22.342 1.00 58.63 ? 240 ALA H N 1 ATOM 11906 C CA . ALA H 4 241 ? -49.377 47.465 -21.886 1.00 60.58 ? 240 ALA H CA 1 ATOM 11907 C C . ALA H 4 241 ? -49.870 46.412 -22.876 1.00 62.24 ? 240 ALA H C 1 ATOM 11908 O O . ALA H 4 241 ? -49.253 45.358 -23.035 1.00 60.80 ? 240 ALA H O 1 ATOM 11909 C CB . ALA H 4 241 ? -50.431 48.539 -21.678 1.00 63.48 ? 240 ALA H CB 1 HETATM 11910 C C1 . NAG I 5 . ? 13.450 0.071 7.521 1.00 67.77 ? 508 NAG A C1 1 HETATM 11911 C C2 . NAG I 5 . ? 12.723 0.351 6.198 1.00 73.45 ? 508 NAG A C2 1 HETATM 11912 C C3 . NAG I 5 . ? 11.685 1.475 6.305 1.00 76.01 ? 508 NAG A C3 1 HETATM 11913 C C4 . NAG I 5 . ? 10.870 1.405 7.596 1.00 74.47 ? 508 NAG A C4 1 HETATM 11914 C C5 . NAG I 5 . ? 11.824 1.279 8.781 1.00 69.57 ? 508 NAG A C5 1 HETATM 11915 C C6 . NAG I 5 . ? 11.100 1.275 10.127 1.00 68.46 ? 508 NAG A C6 1 HETATM 11916 C C7 . NAG I 5 . ? 14.293 -0.197 4.376 1.00 76.01 ? 508 NAG A C7 1 HETATM 11917 C C8 . NAG I 5 . ? 15.243 0.364 3.356 1.00 77.26 ? 508 NAG A C8 1 HETATM 11918 N N2 . NAG I 5 . ? 13.678 0.697 5.156 1.00 75.02 ? 508 NAG A N2 1 HETATM 11919 O O3 . NAG I 5 . ? 10.820 1.406 5.193 1.00 81.25 ? 508 NAG A O3 1 HETATM 11920 O O4 . NAG I 5 . ? 10.059 2.553 7.727 1.00 76.71 ? 508 NAG A O4 1 HETATM 11921 O O5 . NAG I 5 . ? 12.557 0.079 8.624 1.00 67.48 ? 508 NAG A O5 1 HETATM 11922 O O6 . NAG I 5 . ? 10.400 0.062 10.304 1.00 69.41 ? 508 NAG A O6 1 HETATM 11923 O O7 . NAG I 5 . ? 14.122 -1.416 4.460 1.00 75.87 ? 508 NAG A O7 1 HETATM 11924 C C1 . NAG J 5 . ? 19.367 7.371 16.097 1.00 46.82 ? 509 NAG A C1 1 HETATM 11925 C C2 . NAG J 5 . ? 18.522 7.639 14.849 1.00 50.16 ? 509 NAG A C2 1 HETATM 11926 C C3 . NAG J 5 . ? 19.352 7.529 13.567 1.00 51.42 ? 509 NAG A C3 1 HETATM 11927 C C4 . NAG J 5 . ? 20.675 8.297 13.661 1.00 51.26 ? 509 NAG A C4 1 HETATM 11928 C C5 . NAG J 5 . ? 21.394 7.918 14.963 1.00 48.01 ? 509 NAG A C5 1 HETATM 11929 C C6 . NAG J 5 . ? 22.688 8.698 15.174 1.00 47.55 ? 509 NAG A C6 1 HETATM 11930 C C7 . NAG J 5 . ? 16.153 7.075 14.494 1.00 52.87 ? 509 NAG A C7 1 HETATM 11931 C C8 . NAG J 5 . ? 15.142 5.971 14.487 1.00 53.25 ? 509 NAG A C8 1 HETATM 11932 N N2 . NAG J 5 . ? 17.404 6.714 14.790 1.00 50.35 ? 509 NAG A N2 1 HETATM 11933 O O3 . NAG J 5 . ? 18.594 8.008 12.481 1.00 54.59 ? 509 NAG A O3 1 HETATM 11934 O O4 . NAG J 5 . ? 21.490 7.995 12.541 1.00 52.84 ? 509 NAG A O4 1 HETATM 11935 O O5 . NAG J 5 . ? 20.549 8.150 16.075 1.00 46.93 ? 509 NAG A O5 1 HETATM 11936 O O6 . NAG J 5 . ? 22.378 9.998 15.623 1.00 49.50 ? 509 NAG A O6 1 HETATM 11937 O O7 . NAG J 5 . ? 15.793 8.224 14.236 1.00 55.01 ? 509 NAG A O7 1 HETATM 11938 C C1 . NAG K 5 . ? 21.571 9.100 11.617 1.00 56.20 ? 510 NAG A C1 1 HETATM 11939 C C2 . NAG K 5 . ? 22.925 9.058 10.911 1.00 56.51 ? 510 NAG A C2 1 HETATM 11940 C C3 . NAG K 5 . ? 23.037 10.126 9.821 1.00 59.79 ? 510 NAG A C3 1 HETATM 11941 C C4 . NAG K 5 . ? 21.811 10.158 8.905 1.00 62.66 ? 510 NAG A C4 1 HETATM 11942 C C5 . NAG K 5 . ? 20.506 10.088 9.707 1.00 62.55 ? 510 NAG A C5 1 HETATM 11943 C C6 . NAG K 5 . ? 19.300 9.912 8.782 1.00 65.80 ? 510 NAG A C6 1 HETATM 11944 C C7 . NAG K 5 . ? 24.754 8.143 12.237 1.00 52.86 ? 510 NAG A C7 1 HETATM 11945 C C8 . NAG K 5 . ? 25.872 8.419 13.202 1.00 50.96 ? 510 NAG A C8 1 HETATM 11946 N N2 . NAG K 5 . ? 24.028 9.195 11.847 1.00 54.58 ? 510 NAG A N2 1 HETATM 11947 O O3 . NAG K 5 . ? 24.192 9.874 9.052 1.00 59.73 ? 510 NAG A O3 1 HETATM 11948 O O4 . NAG K 5 . ? 21.848 11.342 8.131 1.00 66.12 ? 510 NAG A O4 1 HETATM 11949 O O5 . NAG K 5 . ? 20.542 9.026 10.650 1.00 59.34 ? 510 NAG A O5 1 HETATM 11950 O O6 . NAG K 5 . ? 18.450 8.877 9.233 1.00 64.46 ? 510 NAG A O6 1 HETATM 11951 O O7 . NAG K 5 . ? 24.544 6.990 11.852 1.00 52.59 ? 510 NAG A O7 1 HETATM 11952 C C1 . NAG L 5 . ? 38.783 -6.900 36.379 1.00 49.61 ? 511 NAG A C1 1 HETATM 11953 C C2 . NAG L 5 . ? 40.264 -7.087 36.054 1.00 51.47 ? 511 NAG A C2 1 HETATM 11954 C C3 . NAG L 5 . ? 40.542 -8.507 35.553 1.00 51.75 ? 511 NAG A C3 1 HETATM 11955 C C4 . NAG L 5 . ? 39.886 -9.595 36.418 1.00 53.46 ? 511 NAG A C4 1 HETATM 11956 C C5 . NAG L 5 . ? 38.438 -9.214 36.763 1.00 52.01 ? 511 NAG A C5 1 HETATM 11957 C C6 . NAG L 5 . ? 37.762 -10.180 37.742 1.00 54.14 ? 511 NAG A C6 1 HETATM 11958 C C7 . NAG L 5 . ? 41.535 -5.095 35.380 1.00 51.69 ? 511 NAG A C7 1 HETATM 11959 C C8 . NAG L 5 . ? 41.895 -4.176 34.251 1.00 50.09 ? 511 NAG A C8 1 HETATM 11960 N N2 . NAG L 5 . ? 40.709 -6.102 35.079 1.00 50.01 ? 511 NAG A N2 1 HETATM 11961 O O3 . NAG L 5 . ? 41.938 -8.710 35.503 1.00 53.67 ? 511 NAG A O3 1 HETATM 11962 O O4 . NAG L 5 . ? 39.887 -10.816 35.704 1.00 53.37 ? 511 NAG A O4 1 HETATM 11963 O O5 . NAG L 5 . ? 38.379 -7.900 37.294 1.00 51.74 ? 511 NAG A O5 1 HETATM 11964 O O6 . NAG L 5 . ? 36.570 -9.597 38.244 1.00 54.25 ? 511 NAG A O6 1 HETATM 11965 O O7 . NAG L 5 . ? 42.001 -4.891 36.504 1.00 54.68 ? 511 NAG A O7 1 HETATM 11966 C C1 . NAG M 5 . ? 40.893 -11.740 36.170 1.00 57.12 ? 512 NAG A C1 1 HETATM 11967 C C2 . NAG M 5 . ? 40.409 -13.158 35.853 1.00 57.32 ? 512 NAG A C2 1 HETATM 11968 C C3 . NAG M 5 . ? 41.498 -14.219 35.999 1.00 60.43 ? 512 NAG A C3 1 HETATM 11969 C C4 . NAG M 5 . ? 42.786 -13.787 35.307 1.00 60.80 ? 512 NAG A C4 1 HETATM 11970 C C5 . NAG M 5 . ? 43.191 -12.397 35.801 1.00 61.16 ? 512 NAG A C5 1 HETATM 11971 C C6 . NAG M 5 . ? 44.451 -11.892 35.100 1.00 61.64 ? 512 NAG A C6 1 HETATM 11972 C C7 . NAG M 5 . ? 38.134 -13.951 36.211 1.00 56.32 ? 512 NAG A C7 1 HETATM 11973 C C8 . NAG M 5 . ? 37.063 -14.253 37.220 1.00 57.31 ? 512 NAG A C8 1 HETATM 11974 N N2 . NAG M 5 . ? 39.285 -13.495 36.703 1.00 58.04 ? 512 NAG A N2 1 HETATM 11975 O O3 . NAG M 5 . ? 41.040 -15.426 35.431 1.00 60.02 ? 512 NAG A O3 1 HETATM 11976 O O4 . NAG M 5 . ? 43.799 -14.736 35.562 1.00 64.35 ? 512 NAG A O4 1 HETATM 11977 O O5 . NAG M 5 . ? 42.144 -11.469 35.563 1.00 58.15 ? 512 NAG A O5 1 HETATM 11978 O O6 . NAG M 5 . ? 44.112 -11.303 33.862 1.00 58.03 ? 512 NAG A O6 1 HETATM 11979 O O7 . NAG M 5 . ? 37.928 -14.125 35.007 1.00 54.11 ? 512 NAG A O7 1 HETATM 11980 C C1 . FUC N 6 . ? 35.384 -10.204 37.670 1.00 52.62 ? 513 FUC A C1 1 HETATM 11981 C C2 . FUC N 6 . ? 34.194 -10.046 38.618 1.00 53.14 ? 513 FUC A C2 1 HETATM 11982 C C3 . FUC N 6 . ? 33.716 -8.591 38.623 1.00 52.05 ? 513 FUC A C3 1 HETATM 11983 C C4 . FUC N 6 . ? 33.405 -8.122 37.197 1.00 49.13 ? 513 FUC A C4 1 HETATM 11984 C C5 . FUC N 6 . ? 34.637 -8.349 36.319 1.00 48.75 ? 513 FUC A C5 1 HETATM 11985 C C6 . FUC N 6 . ? 34.400 -7.928 34.872 1.00 45.47 ? 513 FUC A C6 1 HETATM 11986 O O2 . FUC N 6 . ? 34.549 -10.453 39.920 1.00 56.94 ? 513 FUC A O2 1 HETATM 11987 O O3 . FUC N 6 . ? 32.595 -8.434 39.467 1.00 52.56 ? 513 FUC A O3 1 HETATM 11988 O O4 . FUC N 6 . ? 32.297 -8.823 36.664 1.00 47.43 ? 513 FUC A O4 1 HETATM 11989 O O5 . FUC N 6 . ? 35.027 -9.715 36.378 1.00 50.21 ? 513 FUC A O5 1 HETATM 11990 C CCL . 07P O 7 . ? 23.390 -11.627 14.041 1.00 41.67 ? 286 07P A CCL 1 HETATM 11991 C CCK . 07P O 7 . ? 24.658 -11.162 14.759 1.00 39.54 ? 286 07P A CCK 1 HETATM 11992 C CCJ . 07P O 7 . ? 24.465 -9.779 15.383 1.00 38.58 ? 286 07P A CCJ 1 HETATM 11993 C CCI . 07P O 7 . ? 24.038 -9.881 16.847 1.00 37.86 ? 286 07P A CCI 1 HETATM 11994 C CCH . 07P O 7 . ? 25.176 -10.385 17.735 1.00 36.85 ? 286 07P A CCH 1 HETATM 11995 C CCG . 07P O 7 . ? 24.583 -11.075 18.954 1.00 37.42 ? 286 07P A CCG 1 HETATM 11996 C CCF . 07P O 7 . ? 24.533 -10.117 20.139 1.00 37.22 ? 286 07P A CCF 1 HETATM 11997 C CCE . 07P O 7 . ? 25.603 -10.493 21.153 1.00 37.35 ? 286 07P A CCE 1 HETATM 11998 C CCD . 07P O 7 . ? 26.853 -9.638 20.944 1.00 37.25 ? 286 07P A CCD 1 HETATM 11999 C CCC . 07P O 7 . ? 27.528 -9.350 22.284 1.00 37.33 ? 286 07P A CCC 1 HETATM 12000 C CCB . 07P O 7 . ? 27.158 -7.975 22.845 1.00 37.58 ? 286 07P A CCB 1 HETATM 12001 C CCA . 07P O 7 . ? 26.116 -7.151 22.069 1.00 38.07 ? 286 07P A CCA 1 HETATM 12002 C CBZ . 07P O 7 . ? 27.597 -6.824 21.957 1.00 38.18 ? 286 07P A CBZ 1 HETATM 12003 C CBY . 07P O 7 . ? 28.051 -5.596 22.714 1.00 37.73 ? 286 07P A CBY 1 HETATM 12004 C CAH . 07P O 7 . ? 29.283 -5.107 21.984 1.00 37.27 ? 286 07P A CAH 1 HETATM 12005 C CAI . 07P O 7 . ? 30.183 -4.322 22.920 1.00 36.50 ? 286 07P A CAI 1 HETATM 12006 C CAJ . 07P O 7 . ? 31.205 -3.594 22.076 1.00 35.22 ? 286 07P A CAJ 1 HETATM 12007 C CAF . 07P O 7 . ? 30.517 -2.911 20.901 1.00 34.29 ? 286 07P A CAF 1 HETATM 12008 C CAE . 07P O 7 . ? 31.270 -1.644 20.581 1.00 34.22 ? 286 07P A CAE 1 HETATM 12009 C CAD . 07P O 7 . ? 32.750 -1.895 20.833 1.00 33.33 ? 286 07P A CAD 1 HETATM 12010 C CAC . 07P O 7 . ? 33.579 -1.030 19.920 1.00 33.60 ? 286 07P A CAC 1 HETATM 12011 O OAG . 07P O 7 . ? 32.925 -0.938 18.656 1.00 34.14 ? 286 07P A OAG 1 HETATM 12012 C CAB . 07P O 7 . ? 33.750 0.354 20.529 1.00 33.27 ? 286 07P A CAB 1 HETATM 12013 C CAA . 07P O 7 . ? 34.769 1.139 19.720 1.00 33.34 ? 286 07P A CAA 1 HETATM 12014 O O1 . 07P O 7 . ? 35.983 0.419 19.906 1.00 32.19 ? 286 07P A O1 1 HETATM 12015 C C1 . 07P O 7 . ? 36.981 0.945 19.067 1.00 33.24 ? 286 07P A C1 1 HETATM 12016 O O5 . 07P O 7 . ? 37.361 2.252 19.544 1.00 34.00 ? 286 07P A O5 1 HETATM 12017 C C5 . 07P O 7 . ? 37.823 2.258 20.909 1.00 33.85 ? 286 07P A C5 1 HETATM 12018 C C6 . 07P O 7 . ? 38.154 3.697 21.262 1.00 34.84 ? 286 07P A C6 1 HETATM 12019 O O6 . 07P O 7 . ? 37.898 3.872 22.651 1.00 35.15 ? 286 07P A O6 1 HETATM 12020 C C4 . 07P O 7 . ? 39.027 1.321 21.105 1.00 34.03 ? 286 07P A C4 1 HETATM 12021 O O4 . 07P O 7 . ? 40.168 1.849 20.431 1.00 35.45 ? 286 07P A O4 1 HETATM 12022 C C3 . 07P O 7 . ? 38.734 -0.077 20.562 1.00 33.06 ? 286 07P A C3 1 HETATM 12023 O O3 . 07P O 7 . ? 39.938 -0.826 20.554 1.00 33.51 ? 286 07P A O3 1 HETATM 12024 C C2 . 07P O 7 . ? 38.169 -0.016 19.137 1.00 33.49 ? 286 07P A C2 1 HETATM 12025 O O2 . 07P O 7 . ? 37.749 -1.312 18.716 1.00 33.04 ? 286 07P A O2 1 HETATM 12026 N NAW . 07P O 7 . ? 34.270 0.202 21.891 1.00 33.67 ? 286 07P A NAW 1 HETATM 12027 C CAX . 07P O 7 . ? 34.063 1.089 22.855 1.00 34.59 ? 286 07P A CAX 1 HETATM 12028 O OAY . 07P O 7 . ? 33.401 2.119 22.732 1.00 35.18 ? 286 07P A OAY 1 HETATM 12029 C CAZ . 07P O 7 . ? 34.737 0.733 24.180 1.00 35.34 ? 286 07P A CAZ 1 HETATM 12030 C CBA . 07P O 7 . ? 33.861 1.093 25.371 1.00 35.56 ? 286 07P A CBA 1 HETATM 12031 C CBB . 07P O 7 . ? 32.788 0.032 25.592 1.00 34.83 ? 286 07P A CBB 1 HETATM 12032 C CBC . 07P O 7 . ? 31.608 0.660 26.314 1.00 35.05 ? 286 07P A CBC 1 HETATM 12033 C CBD . 07P O 7 . ? 30.733 -0.413 26.941 1.00 35.14 ? 286 07P A CBD 1 HETATM 12034 C CBE . 07P O 7 . ? 29.962 0.193 28.110 1.00 36.15 ? 286 07P A CBE 1 HETATM 12035 C CBF . 07P O 7 . ? 29.108 -0.860 28.826 1.00 35.81 ? 286 07P A CBF 1 HETATM 12036 C CBG . 07P O 7 . ? 27.733 -1.016 28.167 1.00 34.90 ? 286 07P A CBG 1 HETATM 12037 C CBH . 07P O 7 . ? 27.024 0.334 28.034 1.00 34.86 ? 286 07P A CBH 1 HETATM 12038 C CBI . 07P O 7 . ? 26.034 0.556 29.176 1.00 34.78 ? 286 07P A CBI 1 HETATM 12039 C CBJ . 07P O 7 . ? 24.670 0.980 28.634 1.00 34.40 ? 286 07P A CBJ 1 HETATM 12040 C CBK . 07P O 7 . ? 24.728 2.384 28.030 1.00 34.37 ? 286 07P A CBK 1 HETATM 12041 C CBL . 07P O 7 . ? 24.114 3.401 28.984 1.00 35.25 ? 286 07P A CBL 1 HETATM 12042 C CBM . 07P O 7 . ? 24.888 4.711 28.950 1.00 35.51 ? 286 07P A CBM 1 HETATM 12043 C CBN . 07P O 7 . ? 24.438 5.603 30.098 1.00 36.88 ? 286 07P A CBN 1 HETATM 12044 C CBO . 07P O 7 . ? 25.635 6.030 30.943 1.00 38.04 ? 286 07P A CBO 1 HETATM 12045 C CBP . 07P O 7 . ? 25.172 6.473 32.330 1.00 39.71 ? 286 07P A CBP 1 HETATM 12046 C CBQ . 07P O 7 . ? 26.250 7.272 33.056 1.00 41.13 ? 286 07P A CBQ 1 HETATM 12047 C CBR . 07P O 7 . ? 26.552 6.638 34.417 1.00 42.07 ? 286 07P A CBR 1 HETATM 12048 C CBS . 07P O 7 . ? 28.040 6.304 34.565 1.00 42.20 ? 286 07P A CBS 1 HETATM 12049 C CBT . 07P O 7 . ? 28.329 4.872 34.120 1.00 40.39 ? 286 07P A CBT 1 HETATM 12050 C CBU . 07P O 7 . ? 29.425 4.246 34.982 1.00 41.59 ? 286 07P A CBU 1 HETATM 12051 C CBV . 07P O 7 . ? 29.894 2.912 34.390 1.00 40.73 ? 286 07P A CBV 1 HETATM 12052 C CBW . 07P O 7 . ? 28.834 1.811 34.539 1.00 39.95 ? 286 07P A CBW 1 HETATM 12053 C CBX . 07P O 7 . ? 28.760 0.945 33.274 1.00 37.67 ? 286 07P A CBX 1 HETATM 12054 CL CL . CL P 8 . ? 71.800 -8.730 -7.011 1.00 50.24 ? 241 CL D CL 1 HETATM 12055 C C1 . NAG Q 5 . ? 26.810 38.962 5.637 1.00 65.57 ? 514 NAG E C1 1 HETATM 12056 C C2 . NAG Q 5 . ? 27.060 38.324 4.271 1.00 71.04 ? 514 NAG E C2 1 HETATM 12057 C C3 . NAG Q 5 . ? 27.812 37.005 4.429 1.00 73.86 ? 514 NAG E C3 1 HETATM 12058 C C4 . NAG Q 5 . ? 29.063 37.187 5.286 1.00 73.47 ? 514 NAG E C4 1 HETATM 12059 C C5 . NAG Q 5 . ? 28.717 37.904 6.597 1.00 68.38 ? 514 NAG E C5 1 HETATM 12060 C C6 . NAG Q 5 . ? 29.965 38.201 7.423 1.00 68.22 ? 514 NAG E C6 1 HETATM 12061 C C7 . NAG Q 5 . ? 25.620 38.404 2.298 1.00 75.01 ? 514 NAG E C7 1 HETATM 12062 C C8 . NAG Q 5 . ? 24.257 38.103 1.742 1.00 75.37 ? 514 NAG E C8 1 HETATM 12063 N N2 . NAG Q 5 . ? 25.803 38.098 3.582 1.00 71.80 ? 514 NAG E N2 1 HETATM 12064 O O3 . NAG Q 5 . ? 28.169 36.502 3.161 1.00 78.89 ? 514 NAG E O3 1 HETATM 12065 O O4 . NAG Q 5 . ? 29.641 35.922 5.533 1.00 76.38 ? 514 NAG E O4 1 HETATM 12066 O O5 . NAG Q 5 . ? 28.039 39.123 6.327 1.00 65.99 ? 514 NAG E O5 1 HETATM 12067 O O6 . NAG Q 5 . ? 29.580 38.688 8.689 1.00 64.33 ? 514 NAG E O6 1 HETATM 12068 O O7 . NAG Q 5 . ? 26.492 38.905 1.584 1.00 77.48 ? 514 NAG E O7 1 HETATM 12069 C C1 . NAG R 5 . ? 21.701 30.544 13.727 1.00 58.90 ? 515 NAG E C1 1 HETATM 12070 C C2 . NAG R 5 . ? 22.371 30.343 12.367 1.00 61.59 ? 515 NAG E C2 1 HETATM 12071 C C3 . NAG R 5 . ? 21.353 30.507 11.242 1.00 62.57 ? 515 NAG E C3 1 HETATM 12072 C C4 . NAG R 5 . ? 20.157 29.574 11.454 1.00 64.94 ? 515 NAG E C4 1 HETATM 12073 C C5 . NAG R 5 . ? 19.587 29.775 12.866 1.00 62.34 ? 515 NAG E C5 1 HETATM 12074 C C6 . NAG R 5 . ? 18.494 28.761 13.204 1.00 65.07 ? 515 NAG E C6 1 HETATM 12075 C C7 . NAG R 5 . ? 24.742 30.936 12.393 1.00 61.42 ? 515 NAG E C7 1 HETATM 12076 C C8 . NAG R 5 . ? 25.747 32.025 12.175 1.00 60.12 ? 515 NAG E C8 1 HETATM 12077 N N2 . NAG R 5 . ? 23.468 31.275 12.197 1.00 59.88 ? 515 NAG E N2 1 HETATM 12078 O O3 . NAG R 5 . ? 21.967 30.243 10.001 1.00 65.73 ? 515 NAG E O3 1 HETATM 12079 O O4 . NAG R 5 . ? 19.175 29.814 10.457 1.00 66.15 ? 515 NAG E O4 1 HETATM 12080 O O5 . NAG R 5 . ? 20.610 29.650 13.842 1.00 61.31 ? 515 NAG E O5 1 HETATM 12081 O O6 . NAG R 5 . ? 19.078 27.543 13.626 1.00 69.43 ? 515 NAG E O6 1 HETATM 12082 O O7 . NAG R 5 . ? 25.116 29.814 12.733 1.00 64.16 ? 515 NAG E O7 1 HETATM 12083 C C1 . NAG S 5 . ? 19.001 28.662 9.595 1.00 71.51 ? 516 NAG E C1 1 HETATM 12084 C C2 . NAG S 5 . ? 17.696 28.820 8.803 1.00 72.07 ? 516 NAG E C2 1 HETATM 12085 C C3 . NAG S 5 . ? 17.544 27.798 7.668 1.00 77.72 ? 516 NAG E C3 1 HETATM 12086 C C4 . NAG S 5 . ? 18.852 27.460 6.942 1.00 80.81 ? 516 NAG E C4 1 HETATM 12087 C C5 . NAG S 5 . ? 20.008 27.281 7.930 1.00 79.82 ? 516 NAG E C5 1 HETATM 12088 C C6 . NAG S 5 . ? 21.330 27.042 7.201 1.00 83.18 ? 516 NAG E C6 1 HETATM 12089 C C7 . NAG S 5 . ? 15.969 29.683 10.335 1.00 67.50 ? 516 NAG E C7 1 HETATM 12090 C C8 . NAG S 5 . ? 14.799 29.329 11.208 1.00 67.23 ? 516 NAG E C8 1 HETATM 12091 N N2 . NAG S 5 . ? 16.558 28.672 9.694 1.00 71.00 ? 516 NAG E N2 1 HETATM 12092 O O3 . NAG S 5 . ? 16.602 28.272 6.729 1.00 78.00 ? 516 NAG E O3 1 HETATM 12093 O O4 . NAG S 5 . ? 18.671 26.293 6.162 1.00 86.15 ? 516 NAG E O4 1 HETATM 12094 O O5 . NAG S 5 . ? 20.111 28.440 8.738 1.00 74.34 ? 516 NAG E O5 1 HETATM 12095 O O6 . NAG S 5 . ? 22.424 27.296 8.057 1.00 81.77 ? 516 NAG E O6 1 HETATM 12096 O O7 . NAG S 5 . ? 16.335 30.857 10.245 1.00 64.97 ? 516 NAG E O7 1 HETATM 12097 C C1 . NAG T 5 . ? 2.505 42.959 36.258 1.00 73.67 ? 517 NAG E C1 1 HETATM 12098 C C2 . NAG T 5 . ? 1.002 43.083 36.003 1.00 75.56 ? 517 NAG E C2 1 HETATM 12099 C C3 . NAG T 5 . ? 0.625 44.500 35.568 1.00 73.89 ? 517 NAG E C3 1 HETATM 12100 C C4 . NAG T 5 . ? 1.288 45.597 36.415 1.00 75.79 ? 517 NAG E C4 1 HETATM 12101 C C5 . NAG T 5 . ? 2.768 45.268 36.655 1.00 74.44 ? 517 NAG E C5 1 HETATM 12102 C C6 . NAG T 5 . ? 3.477 46.251 37.590 1.00 76.67 ? 517 NAG E C6 1 HETATM 12103 C C7 . NAG T 5 . ? -0.107 41.005 35.305 1.00 76.99 ? 517 NAG E C7 1 HETATM 12104 C C8 . NAG T 5 . ? -0.488 40.128 34.149 1.00 75.14 ? 517 NAG E C8 1 HETATM 12105 N N2 . NAG T 5 . ? 0.558 42.123 35.002 1.00 73.77 ? 517 NAG E N2 1 HETATM 12106 O O3 . NAG T 5 . ? -0.778 44.626 35.630 1.00 76.09 ? 517 NAG E O3 1 HETATM 12107 O O4 . NAG T 5 . ? 1.201 46.837 35.736 1.00 74.38 ? 517 NAG E O4 1 HETATM 12108 O O5 . NAG T 5 . ? 2.900 43.957 37.176 1.00 76.00 ? 517 NAG E O5 1 HETATM 12109 O O6 . NAG T 5 . ? 4.729 45.699 37.951 1.00 77.02 ? 517 NAG E O6 1 HETATM 12110 O O7 . NAG T 5 . ? -0.410 40.670 36.452 1.00 81.65 ? 517 NAG E O7 1 HETATM 12111 C C1 . NAG U 5 . ? 0.115 47.662 36.211 1.00 78.73 ? 518 NAG E C1 1 HETATM 12112 C C2 . NAG U 5 . ? 0.422 49.125 35.880 1.00 77.59 ? 518 NAG E C2 1 HETATM 12113 C C3 . NAG U 5 . ? -0.766 50.069 36.094 1.00 80.63 ? 518 NAG E C3 1 HETATM 12114 C C4 . NAG U 5 . ? -2.111 49.478 35.672 1.00 81.46 ? 518 NAG E C4 1 HETATM 12115 C C5 . NAG U 5 . ? -2.239 48.010 36.088 1.00 83.17 ? 518 NAG E C5 1 HETATM 12116 C C6 . NAG U 5 . ? -3.499 47.362 35.522 1.00 83.74 ? 518 NAG E C6 1 HETATM 12117 C C7 . NAG U 5 . ? 2.557 50.278 36.117 1.00 76.66 ? 518 NAG E C7 1 HETATM 12118 C C8 . NAG U 5 . ? 3.667 50.687 37.043 1.00 78.60 ? 518 NAG E C8 1 HETATM 12119 N N2 . NAG U 5 . ? 1.556 49.583 36.664 1.00 79.15 ? 518 NAG E N2 1 HETATM 12120 O O3 . NAG U 5 . ? -0.543 51.246 35.351 1.00 78.33 ? 518 NAG E O3 1 HETATM 12121 O O4 . NAG U 5 . ? -3.141 50.244 36.262 1.00 85.88 ? 518 NAG E O4 1 HETATM 12122 O O5 . NAG U 5 . ? -1.117 47.282 35.626 1.00 79.46 ? 518 NAG E O5 1 HETATM 12123 O O6 . NAG U 5 . ? -3.825 46.228 36.296 1.00 87.43 ? 518 NAG E O6 1 HETATM 12124 O O7 . NAG U 5 . ? 2.600 50.585 34.922 1.00 72.88 ? 518 NAG E O7 1 HETATM 12125 C C1 . FUC V 6 . ? 5.808 46.638 37.737 1.00 74.65 ? 519 FUC E C1 1 HETATM 12126 C C2 . FUC V 6 . ? 6.917 46.391 38.766 1.00 77.31 ? 519 FUC E C2 1 HETATM 12127 C C3 . FUC V 6 . ? 7.745 45.144 38.429 1.00 75.65 ? 519 FUC E C3 1 HETATM 12128 C C4 . FUC V 6 . ? 8.150 45.087 36.952 1.00 70.22 ? 519 FUC E C4 1 HETATM 12129 C C5 . FUC V 6 . ? 6.965 45.406 36.036 1.00 68.15 ? 519 FUC E C5 1 HETATM 12130 C C6 . FUC V 6 . ? 7.393 45.450 34.569 1.00 62.79 ? 519 FUC E C6 1 HETATM 12131 O O2 . FUC V 6 . ? 6.359 46.255 40.057 1.00 82.58 ? 519 FUC E O2 1 HETATM 12132 O O3 . FUC V 6 . ? 8.901 45.104 39.240 1.00 77.75 ? 519 FUC E O3 1 HETATM 12133 O O4 . FUC V 6 . ? 9.217 45.979 36.700 1.00 68.31 ? 519 FUC E O4 1 HETATM 12134 O O5 . FUC V 6 . ? 6.346 46.628 36.419 1.00 69.52 ? 519 FUC E O5 1 HETATM 12135 C CCL . 07P W 7 . ? 17.218 49.618 13.345 1.00 40.75 ? 286 07P E CCL 1 HETATM 12136 C CCK . 07P W 7 . ? 16.378 48.347 13.260 1.00 40.13 ? 286 07P E CCK 1 HETATM 12137 C CCJ . 07P W 7 . ? 15.228 48.393 14.262 1.00 39.10 ? 286 07P E CCJ 1 HETATM 12138 C CCI . 07P W 7 . ? 15.463 47.407 15.410 1.00 38.53 ? 286 07P E CCI 1 HETATM 12139 C CCH . 07P W 7 . ? 15.980 48.139 16.646 1.00 38.30 ? 286 07P E CCH 1 HETATM 12140 C CCG . 07P W 7 . ? 15.468 47.482 17.922 1.00 37.93 ? 286 07P E CCG 1 HETATM 12141 C CCF . 07P W 7 . ? 16.052 48.189 19.151 1.00 38.27 ? 286 07P E CCF 1 HETATM 12142 C CCE . 07P W 7 . ? 15.506 47.599 20.453 1.00 38.62 ? 286 07P E CCE 1 HETATM 12143 C CCD . 07P W 7 . ? 13.972 47.502 20.418 1.00 38.74 ? 286 07P E CCD 1 HETATM 12144 C CCC . 07P W 7 . ? 13.414 46.858 21.690 1.00 39.88 ? 286 07P E CCC 1 HETATM 12145 C CCB . 07P W 7 . ? 13.654 45.341 21.776 1.00 40.67 ? 286 07P E CCB 1 HETATM 12146 C CCA . 07P W 7 . ? 13.695 44.568 20.449 1.00 40.32 ? 286 07P E CCA 1 HETATM 12147 C CBZ . 07P W 7 . ? 12.455 44.508 21.341 1.00 41.03 ? 286 07P E CBZ 1 HETATM 12148 C CBY . 07P W 7 . ? 12.274 43.188 22.068 1.00 42.07 ? 286 07P E CBY 1 HETATM 12149 C CAH . 07P W 7 . ? 11.441 42.265 21.185 1.00 42.31 ? 286 07P E CAH 1 HETATM 12150 C CAI . 07P W 7 . ? 10.567 41.361 22.045 1.00 43.97 ? 286 07P E CAI 1 HETATM 12151 C CAJ . 07P W 7 . ? 9.485 40.715 21.193 1.00 43.56 ? 286 07P E CAJ 1 HETATM 12152 C CAF . 07P W 7 . ? 10.019 39.431 20.559 1.00 43.80 ? 286 07P E CAF 1 HETATM 12153 C CAE . 07P W 7 . ? 9.243 39.089 19.298 1.00 42.86 ? 286 07P E CAE 1 HETATM 12154 C CAD . 07P W 7 . ? 7.778 38.838 19.637 1.00 43.30 ? 286 07P E CAD 1 HETATM 12155 C CAC . 07P W 7 . ? 7.149 37.793 18.717 1.00 44.80 ? 286 07P E CAC 1 HETATM 12156 O OAG . 07P W 7 . ? 7.894 37.678 17.497 1.00 44.93 ? 286 07P E OAG 1 HETATM 12157 C CAB . 07P W 7 . ? 7.042 36.414 19.382 1.00 46.54 ? 286 07P E CAB 1 HETATM 12158 C CAA . 07P W 7 . ? 5.933 35.622 18.702 1.00 47.99 ? 286 07P E CAA 1 HETATM 12159 O O1 . 07P W 7 . ? 4.731 36.330 19.024 1.00 46.39 ? 286 07P E O1 1 HETATM 12160 C C1 . 07P W 7 . ? 3.586 35.698 18.470 1.00 47.93 ? 286 07P E C1 1 HETATM 12161 O O5 . 07P W 7 . ? 3.326 34.442 19.163 1.00 51.23 ? 286 07P E O5 1 HETATM 12162 C C5 . 07P W 7 . ? 2.901 34.560 20.557 1.00 51.82 ? 286 07P E C5 1 HETATM 12163 C C6 . 07P W 7 . ? 2.577 33.171 21.122 1.00 55.49 ? 286 07P E C6 1 HETATM 12164 O O6 . 07P W 7 . ? 3.681 32.732 21.911 1.00 55.47 ? 286 07P E O6 1 HETATM 12165 C C4 . 07P W 7 . ? 1.698 35.508 20.703 1.00 51.37 ? 286 07P E C4 1 HETATM 12166 O O4 . 07P W 7 . ? 0.534 34.943 20.086 1.00 54.43 ? 286 07P E O4 1 HETATM 12167 C C3 . 07P W 7 . ? 2.001 36.857 20.059 1.00 47.56 ? 286 07P E C3 1 HETATM 12168 O O3 . 07P W 7 . ? 0.836 37.669 20.124 1.00 48.51 ? 286 07P E O3 1 HETATM 12169 C C2 . 07P W 7 . ? 2.414 36.684 18.594 1.00 46.94 ? 286 07P E C2 1 HETATM 12170 O O2 . 07P W 7 . ? 2.776 37.954 18.046 1.00 42.97 ? 286 07P E O2 1 HETATM 12171 N NAW . 07P W 7 . ? 6.710 36.545 20.810 1.00 47.07 ? 286 07P E NAW 1 HETATM 12172 C CAX . 07P W 7 . ? 7.000 35.609 21.707 1.00 49.47 ? 286 07P E CAX 1 HETATM 12173 O OAY . 07P W 7 . ? 7.576 34.550 21.449 1.00 51.89 ? 286 07P E OAY 1 HETATM 12174 C CAZ . 07P W 7 . ? 6.551 35.936 23.129 1.00 50.26 ? 286 07P E CAZ 1 HETATM 12175 C CBA . 07P W 7 . ? 7.578 35.450 24.150 1.00 51.29 ? 286 07P E CBA 1 HETATM 12176 C CBB . 07P W 7 . ? 7.813 36.510 25.223 1.00 50.19 ? 286 07P E CBB 1 HETATM 12177 C CBC . 07P W 7 . ? 9.152 37.208 25.018 1.00 47.76 ? 286 07P E CBC 1 HETATM 12178 C CBD . 07P W 7 . ? 10.246 36.513 25.823 1.00 49.58 ? 286 07P E CBD 1 HETATM 12179 C CBE . 07P W 7 . ? 11.154 37.533 26.500 1.00 48.35 ? 286 07P E CBE 1 HETATM 12180 C CBF . 07P W 7 . ? 12.265 36.823 27.273 1.00 50.29 ? 286 07P E CBF 1 HETATM 12181 C CBG . 07P W 7 . ? 13.599 37.527 27.045 1.00 48.45 ? 286 07P E CBG 1 HETATM 12182 C CBH . 07P W 7 . ? 14.758 36.721 27.629 1.00 50.82 ? 286 07P E CBH 1 HETATM 12183 C CBI . 07P W 7 . ? 15.442 35.884 26.546 1.00 50.68 ? 286 07P E CBI 1 HETATM 12184 C CBJ . 07P W 7 . ? 16.659 35.152 27.106 1.00 52.86 ? 286 07P E CBJ 1 HETATM 12185 C CBK . 07P W 7 . ? 16.692 33.713 26.598 1.00 55.18 ? 286 07P E CBK 1 HETATM 12186 C CBL . 07P W 7 . ? 17.509 32.840 27.548 1.00 58.69 ? 286 07P E CBL 1 HETATM 12187 C CBM . 07P W 7 . ? 16.941 31.426 27.637 1.00 62.27 ? 286 07P E CBM 1 HETATM 12188 C CBN . 07P W 7 . ? 16.095 31.267 28.900 1.00 65.02 ? 286 07P E CBN 1 HETATM 12189 C CBO . 07P W 7 . ? 16.822 30.427 29.949 1.00 68.85 ? 286 07P E CBO 1 HETATM 12190 C CBP . 07P W 7 . ? 15.831 29.740 30.888 1.00 73.11 ? 286 07P E CBP 1 HETATM 12191 C CBQ . 07P W 7 . ? 15.562 30.575 32.145 1.00 73.57 ? 286 07P E CBQ 1 HETATM 12192 C CBR . 07P W 7 . ? 14.153 30.297 32.677 1.00 75.89 ? 286 07P E CBR 1 HETATM 12193 C CBS . 07P W 7 . ? 13.712 31.376 33.666 1.00 75.58 ? 286 07P E CBS 1 HETATM 12194 C CBT . 07P W 7 . ? 12.561 32.211 33.098 1.00 72.27 ? 286 07P E CBT 1 HETATM 12195 C CBU . 07P W 7 . ? 11.866 33.030 34.195 1.00 73.43 ? 286 07P E CBU 1 HETATM 12196 C CBV . 07P W 7 . ? 12.455 34.443 34.313 1.00 70.09 ? 286 07P E CBV 1 HETATM 12197 C CBW . 07P W 7 . ? 11.837 35.402 33.290 1.00 65.68 ? 286 07P E CBW 1 HETATM 12198 C CBX . 07P W 7 . ? 12.918 36.035 32.411 1.00 61.49 ? 286 07P E CBX 1 HETATM 12199 C C1 . GOL X 9 . ? 18.146 23.367 33.993 1.00 42.45 ? 287 GOL E C1 1 HETATM 12200 O O1 . GOL X 9 . ? 17.402 22.312 34.559 1.00 42.18 ? 287 GOL E O1 1 HETATM 12201 C C2 . GOL X 9 . ? 19.575 23.357 34.532 1.00 42.82 ? 287 GOL E C2 1 HETATM 12202 O O2 . GOL X 9 . ? 19.980 22.057 34.883 1.00 42.61 ? 287 GOL E O2 1 HETATM 12203 C C3 . GOL X 9 . ? 20.538 23.927 33.502 1.00 43.19 ? 287 GOL E C3 1 HETATM 12204 O O3 . GOL X 9 . ? 21.858 23.544 33.819 1.00 43.29 ? 287 GOL E O3 1 HETATM 12205 O O . HOH Y 10 . ? 28.352 -0.715 8.584 1.00 37.35 ? 287 HOH A O 1 HETATM 12206 O O . HOH Y 10 . ? 24.015 -24.961 27.383 1.00 41.36 ? 288 HOH A O 1 HETATM 12207 O O . HOH Y 10 . ? 34.862 -1.875 44.728 1.00 50.42 ? 289 HOH A O 1 HETATM 12208 O O . HOH Y 10 . ? 37.211 0.972 47.839 1.00 70.96 ? 290 HOH A O 1 HETATM 12209 O O . HOH Y 10 . ? 21.091 -7.565 37.568 1.00 44.69 ? 291 HOH A O 1 HETATM 12210 O O . HOH Y 10 . ? 1.508 9.374 40.119 1.00 47.72 ? 292 HOH A O 1 HETATM 12211 O O . HOH Y 10 . ? 20.562 -12.248 34.074 1.00 32.13 ? 293 HOH A O 1 HETATM 12212 O O . HOH Y 10 . ? 0.119 -7.850 64.403 1.00 77.49 ? 294 HOH A O 1 HETATM 12213 O O . HOH Y 10 . ? 20.935 6.556 23.375 1.00 34.04 ? 295 HOH A O 1 HETATM 12214 O O . HOH Z 10 . ? 14.409 -1.433 36.388 1.00 39.37 ? 100 HOH B O 1 HETATM 12215 O O . HOH Z 10 . ? -1.457 -11.668 16.247 1.00 78.44 ? 101 HOH B O 1 HETATM 12216 O O . HOH Z 10 . ? 2.594 -5.694 37.317 1.00 50.33 ? 102 HOH B O 1 HETATM 12217 O O . HOH Z 10 . ? -10.349 11.599 43.319 1.00 62.04 ? 103 HOH B O 1 HETATM 12218 O O . HOH Z 10 . ? -13.322 5.263 20.904 1.00 76.49 ? 104 HOH B O 1 HETATM 12219 O O . HOH Z 10 . ? -4.374 -7.387 30.635 1.00 64.53 ? 105 HOH B O 1 HETATM 12220 O O . HOH AA 10 . ? 29.813 -0.332 3.234 1.00 34.99 ? 211 HOH C O 1 HETATM 12221 O O . HOH AA 10 . ? 55.180 -3.372 11.064 1.00 32.97 ? 212 HOH C O 1 HETATM 12222 O O . HOH AA 10 . ? 40.818 4.649 2.918 1.00 31.43 ? 213 HOH C O 1 HETATM 12223 O O . HOH AA 10 . ? 45.933 -2.744 9.727 1.00 23.27 ? 214 HOH C O 1 HETATM 12224 O O . HOH AA 10 . ? 53.058 11.864 5.551 1.00 21.73 ? 215 HOH C O 1 HETATM 12225 O O . HOH AA 10 . ? 48.962 13.477 0.120 1.00 31.35 ? 216 HOH C O 1 HETATM 12226 O O . HOH AA 10 . ? 85.943 6.827 -12.509 1.00 56.67 ? 217 HOH C O 1 HETATM 12227 O O . HOH AA 10 . ? 48.493 6.697 -2.295 1.00 26.26 ? 218 HOH C O 1 HETATM 12228 O O . HOH AA 10 . ? 63.570 2.764 -3.315 1.00 34.84 ? 219 HOH C O 1 HETATM 12229 O O . HOH AA 10 . ? 69.207 2.050 -31.714 1.00 51.09 ? 220 HOH C O 1 HETATM 12230 O O . HOH BA 10 . ? 35.120 3.137 -12.389 1.00 34.81 ? 242 HOH D O 1 HETATM 12231 O O . HOH BA 10 . ? 38.800 -0.315 4.660 1.00 26.40 ? 243 HOH D O 1 HETATM 12232 O O . HOH BA 10 . ? 48.899 2.230 -17.162 1.00 43.46 ? 244 HOH D O 1 HETATM 12233 O O . HOH BA 10 . ? 37.681 2.921 1.268 1.00 29.37 ? 245 HOH D O 1 HETATM 12234 O O . HOH BA 10 . ? 51.624 -3.663 -8.875 1.00 58.37 ? 246 HOH D O 1 HETATM 12235 O O . HOH BA 10 . ? 42.028 5.247 -4.977 1.00 25.45 ? 247 HOH D O 1 HETATM 12236 O O . HOH BA 10 . ? 61.096 -9.026 -16.885 1.00 24.88 ? 248 HOH D O 1 HETATM 12237 O O . HOH BA 10 . ? 40.031 9.397 -0.725 1.00 49.71 ? 249 HOH D O 1 HETATM 12238 O O . HOH BA 10 . ? 52.947 5.929 -17.293 1.00 44.96 ? 250 HOH D O 1 HETATM 12239 O O . HOH BA 10 . ? 50.624 5.294 -18.713 1.00 41.25 ? 251 HOH D O 1 HETATM 12240 O O . HOH BA 10 . ? 61.575 -10.394 -12.209 1.00 25.06 ? 252 HOH D O 1 HETATM 12241 O O . HOH BA 10 . ? 88.034 4.767 -11.887 1.00 58.01 ? 253 HOH D O 1 HETATM 12242 O O . HOH CA 10 . ? 23.364 52.027 13.572 1.00 44.46 ? 288 HOH E O 1 HETATM 12243 O O . HOH CA 10 . ? 58.487 41.701 43.023 1.00 173.93 ? 289 HOH E O 1 HETATM 12244 O O . HOH CA 10 . ? 10.699 52.073 5.199 1.00 47.09 ? 290 HOH E O 1 HETATM 12245 O O . HOH DA 10 . ? 50.285 44.312 20.178 1.00 54.45 ? 100 HOH F O 1 HETATM 12246 O O . HOH DA 10 . ? 22.249 45.542 32.351 1.00 64.19 ? 101 HOH F O 1 HETATM 12247 O O . HOH DA 10 . ? 48.342 39.651 36.831 1.00 114.62 ? 102 HOH F O 1 HETATM 12248 O O . HOH DA 10 . ? 59.164 30.311 40.240 1.00 112.89 ? 103 HOH F O 1 HETATM 12249 O O . HOH DA 10 . ? 45.737 42.788 35.202 1.00 76.39 ? 104 HOH F O 1 HETATM 12250 O O . HOH EA 10 . ? -13.796 25.494 21.457 1.00 34.83 ? 211 HOH G O 1 HETATM 12251 O O . HOH EA 10 . ? -7.352 23.518 1.585 1.00 34.63 ? 212 HOH G O 1 HETATM 12252 O O . HOH EA 10 . ? -14.193 42.432 5.577 1.00 38.70 ? 213 HOH G O 1 HETATM 12253 O O . HOH EA 10 . ? -19.746 40.237 9.121 1.00 32.28 ? 214 HOH G O 1 HETATM 12254 O O . HOH EA 10 . ? -0.232 38.741 11.839 1.00 34.80 ? 215 HOH G O 1 HETATM 12255 O O . HOH EA 10 . ? -25.314 34.555 16.624 1.00 36.83 ? 216 HOH G O 1 HETATM 12256 O O . HOH EA 10 . ? -12.849 24.669 5.349 1.00 25.81 ? 217 HOH G O 1 HETATM 12257 O O . HOH FA 10 . ? -51.230 34.075 -12.368 1.00 58.21 ? 241 HOH H O 1 HETATM 12258 O O . HOH FA 10 . ? -8.036 30.850 -2.640 1.00 34.24 ? 242 HOH H O 1 HETATM 12259 O O . HOH FA 10 . ? -8.906 34.987 -17.430 1.00 46.58 ? 243 HOH H O 1 HETATM 12260 O O . HOH FA 10 . ? -12.777 43.324 -10.873 1.00 39.02 ? 244 HOH H O 1 HETATM 12261 O O . HOH FA 10 . ? -34.496 56.010 -11.887 1.00 37.03 ? 245 HOH H O 1 HETATM 12262 O O . HOH FA 10 . ? 8.524 43.256 -14.084 1.00 51.00 ? 246 HOH H O 1 HETATM 12263 O O . HOH FA 10 . ? -36.388 53.737 -10.788 1.00 35.13 ? 247 HOH H O 1 HETATM 12264 O O . HOH FA 10 . ? -31.965 46.219 -6.967 1.00 36.98 ? 248 HOH H O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . LYS A 6 ? 1.5328 0.9118 0.4419 -0.0281 0.3187 -0.0620 6 LYS A N 2 C CA . LYS A 6 ? 1.5306 0.9401 0.4214 -0.0276 0.2666 -0.0749 6 LYS A CA 3 C C . LYS A 6 ? 1.4410 0.8975 0.4091 -0.0220 0.2314 -0.0635 6 LYS A C 4 O O . LYS A 6 ? 1.4081 0.8987 0.4022 -0.0263 0.1973 -0.0796 6 LYS A O 5 C CB . LYS A 6 ? 1.6259 1.0128 0.4085 -0.0184 0.2467 -0.0679 6 LYS A CB 6 N N . ASN A 7 ? 1.4056 0.8624 0.4103 -0.0137 0.2421 -0.0373 7 ASN A N 7 C CA . ASN A 7 ? 1.3234 0.8206 0.4016 -0.0089 0.2151 -0.0261 7 ASN A CA 8 C C . ASN A 7 ? 1.2392 0.7603 0.4111 -0.0177 0.2307 -0.0332 7 ASN A C 9 O O . ASN A 7 ? 1.2227 0.7340 0.4292 -0.0183 0.2624 -0.0224 7 ASN A O 10 C CB . ASN A 7 ? 1.3332 0.8182 0.4017 0.0042 0.2172 0.0044 7 ASN A CB 11 C CG . ASN A 7 ? 1.4015 0.8789 0.3967 0.0180 0.1855 0.0166 7 ASN A CG 12 O OD1 . ASN A 7 ? 1.4408 0.9312 0.3991 0.0173 0.1552 0.0008 7 ASN A OD1 13 N ND2 . ASN A 7 ? 1.4272 0.8845 0.4035 0.0311 0.1923 0.0449 7 ASN A ND2 14 N N . TYR A 8 ? 1.1903 0.7432 0.4036 -0.0242 0.2086 -0.0510 8 TYR A N 15 C CA . TYR A 8 ? 1.1124 0.6896 0.4114 -0.0301 0.2189 -0.0554 8 TYR A CA 16 C C . TYR A 8 ? 1.0402 0.6544 0.3966 -0.0253 0.1915 -0.0435 8 TYR A C 17 O O . TYR A 8 ? 1.0363 0.6686 0.3816 -0.0217 0.1571 -0.0443 8 TYR A O 18 C CB . TYR A 8 ? 1.1098 0.6927 0.4217 -0.0405 0.2198 -0.0815 8 TYR A CB 19 C CG . TYR A 8 ? 1.1733 0.7192 0.4434 -0.0469 0.2552 -0.0957 8 TYR A CG 20 C CD1 . TYR A 8 ? 1.2525 0.7741 0.4393 -0.0499 0.2499 -0.1098 8 TYR A CD1 21 C CD2 . TYR A 8 ? 1.1574 0.6935 0.4712 -0.0497 0.2939 -0.0958 8 TYR A CD2 22 C CE1 . TYR A 8 ? 1.3178 0.8023 0.4618 -0.0567 0.2851 -0.1247 8 TYR A CE1 23 C CE2 . TYR A 8 ? 1.2203 0.7207 0.4987 -0.0553 0.3300 -0.1096 8 TYR A CE2 24 C CZ . TYR A 8 ? 1.3003 0.7731 0.4918 -0.0595 0.3269 -0.1246 8 TYR A CZ 25 O OH . TYR A 8 ? 1.3618 0.7964 0.5139 -0.0660 0.3651 -0.1401 8 TYR A OH 26 N N . THR A 9 ? 0.9849 0.6112 0.4030 -0.0255 0.2073 -0.0334 9 THR A N 27 C CA . THR A 9 ? 0.9142 0.5751 0.3895 -0.0229 0.1855 -0.0250 9 THR A CA 28 C C . THR A 9 ? 0.8588 0.5455 0.3958 -0.0288 0.1850 -0.0356 9 THR A C 29 O O . THR A 9 ? 0.8467 0.5307 0.4154 -0.0316 0.2107 -0.0370 9 THR A O 30 C CB . THR A 9 ? 0.8965 0.5559 0.3963 -0.0192 0.1992 -0.0064 9 THR A CB 31 O OG1 . THR A 9 ? 0.9557 0.5848 0.3963 -0.0127 0.2046 0.0058 9 THR A OG1 32 C CG2 . THR A 9 ? 0.8382 0.5308 0.3874 -0.0172 0.1754 -0.0001 9 THR A CG2 33 N N . PHE A 10 ? 0.8278 0.5391 0.3821 -0.0295 0.1566 -0.0417 10 PHE A N 34 C CA . PHE A 10 ? 0.7807 0.5144 0.3887 -0.0339 0.1540 -0.0494 10 PHE A CA 35 C C . PHE A 10 ? 0.7245 0.4852 0.3838 -0.0305 0.1452 -0.0358 10 PHE A C 36 O O . PHE A 10 ? 0.7158 0.4860 0.3703 -0.0267 0.1264 -0.0279 10 PHE A O 37 C CB . PHE A 10 ? 0.7882 0.5308 0.3843 -0.0383 0.1311 -0.0657 10 PHE A CB 38 C CG . PHE A 10 ? 0.7443 0.5068 0.3925 -0.0426 0.1285 -0.0724 10 PHE A CG 39 C CD1 . PHE A 10 ? 0.7509 0.5022 0.4154 -0.0473 0.1506 -0.0825 10 PHE A CD1 40 C CD2 . PHE A 10 ? 0.7031 0.4924 0.3826 -0.0413 0.1061 -0.0682 10 PHE A CD2 41 C CE1 . PHE A 10 ? 0.7160 0.4814 0.4261 -0.0498 0.1504 -0.0860 10 PHE A CE1 42 C CE2 . PHE A 10 ? 0.6754 0.4793 0.3985 -0.0448 0.1064 -0.0727 10 PHE A CE2 43 C CZ . PHE A 10 ? 0.6795 0.4707 0.4170 -0.0487 0.1284 -0.0806 10 PHE A CZ 44 N N . ARG A 11 ? 0.6908 0.4635 0.3980 -0.0314 0.1588 -0.0332 11 ARG A N 45 C CA . ARG A 11 ? 0.6444 0.4424 0.3964 -0.0291 0.1524 -0.0216 11 ARG A CA 46 C C . ARG A 11 ? 0.6090 0.4290 0.4062 -0.0293 0.1484 -0.0227 11 ARG A C 47 O O . ARG A 11 ? 0.6123 0.4283 0.4278 -0.0290 0.1652 -0.0252 11 ARG A O 48 C CB . ARG A 11 ? 0.6444 0.4387 0.4117 -0.0281 0.1735 -0.0127 11 ARG A CB 49 C CG . ARG A 11 ? 0.6748 0.4515 0.4083 -0.0270 0.1765 -0.0058 11 ARG A CG 50 C CD . ARG A 11 ? 0.6808 0.4549 0.4381 -0.0284 0.2006 0.0008 11 ARG A CD 51 N NE . ARG A 11 ? 0.7188 0.4748 0.4488 -0.0275 0.2049 0.0092 11 ARG A NE 52 C CZ . ARG A 11 ? 0.7840 0.5055 0.4673 -0.0262 0.2235 0.0121 11 ARG A CZ 53 N NH1 . ARG A 11 ? 0.8219 0.5240 0.4791 -0.0271 0.2398 0.0047 11 ARG A NH1 54 N NH2 . ARG A 11 ? 0.8154 0.5189 0.4758 -0.0240 0.2281 0.0226 11 ARG A NH2 55 N N . CYS A 12 ? 0.5803 0.4213 0.3944 -0.0289 0.1281 -0.0196 12 CYS A N 56 C CA . CYS A 12 ? 0.5495 0.4112 0.4037 -0.0278 0.1248 -0.0161 12 CYS A CA 57 C C . CYS A 12 ? 0.5237 0.4058 0.4045 -0.0258 0.1221 -0.0053 12 CYS A C 58 O O . CYS A 12 ? 0.5140 0.4044 0.3907 -0.0268 0.1088 -0.0030 12 CYS A O 59 C CB . CYS A 12 ? 0.5373 0.4075 0.3916 -0.0300 0.1069 -0.0217 12 CYS A CB 60 S SG . CYS A 12 ? 0.5814 0.4326 0.4062 -0.0354 0.1057 -0.0394 12 CYS A SG 61 N N . LEU A 13 ? 0.5169 0.4079 0.4269 -0.0231 0.1351 0.0002 13 LEU A N 62 C CA . LEU A 13 ? 0.4950 0.4095 0.4338 -0.0227 0.1319 0.0075 13 LEU A CA 63 C C . LEU A 13 ? 0.4716 0.4111 0.4396 -0.0190 0.1217 0.0135 13 LEU A C 64 O O . LEU A 13 ? 0.4758 0.4162 0.4600 -0.0135 0.1292 0.0171 13 LEU A O 65 C CB . LEU A 13 ? 0.5061 0.4194 0.4625 -0.0222 0.1516 0.0094 13 LEU A CB 66 C CG . LEU A 13 ? 0.5386 0.4225 0.4637 -0.0252 0.1685 0.0054 13 LEU A CG 67 C CD1 . LEU A 13 ? 0.5407 0.4273 0.4942 -0.0251 0.1909 0.0072 13 LEU A CD1 68 C CD2 . LEU A 13 ? 0.5461 0.4215 0.4442 -0.0288 0.1595 0.0058 13 LEU A CD2 69 N N . GLN A 14 ? 0.4537 0.4109 0.4257 -0.0213 0.1061 0.0151 14 GLN A N 70 C CA . GLN A 14 ? 0.4367 0.4167 0.4277 -0.0179 0.0954 0.0214 14 GLN A CA 71 C C . GLN A 14 ? 0.4239 0.4313 0.4372 -0.0197 0.0887 0.0237 14 GLN A C 72 O O . GLN A 14 ? 0.4223 0.4298 0.4304 -0.0266 0.0867 0.0180 14 GLN A O 73 C CB . GLN A 14 ? 0.4317 0.4084 0.4053 -0.0204 0.0834 0.0186 14 GLN A CB 74 C CG . GLN A 14 ? 0.4275 0.4209 0.4121 -0.0167 0.0757 0.0258 14 GLN A CG 75 C CD . GLN A 14 ? 0.4303 0.4253 0.4018 -0.0214 0.0653 0.0217 14 GLN A CD 76 O OE1 . GLN A 14 ? 0.4365 0.4166 0.3946 -0.0245 0.0648 0.0148 14 GLN A OE1 77 N NE2 . GLN A 14 ? 0.4264 0.4409 0.4025 -0.0219 0.0567 0.0250 14 GLN A NE2 78 N N . MET A 15 ? 0.4171 0.4476 0.4559 -0.0133 0.0853 0.0317 15 MET A N 79 C CA . MET A 15 ? 0.4075 0.4706 0.4694 -0.0154 0.0749 0.0320 15 MET A CA 80 C C . MET A 15 ? 0.4017 0.4860 0.4649 -0.0096 0.0596 0.0403 15 MET A C 81 O O . MET A 15 ? 0.4081 0.4938 0.4791 0.0014 0.0615 0.0520 15 MET A O 82 C CB . MET A 15 ? 0.4110 0.4887 0.5081 -0.0130 0.0848 0.0332 15 MET A CB 83 C CG . MET A 15 ? 0.4314 0.5057 0.5459 -0.0006 0.0955 0.0433 15 MET A CG 84 S SD . MET A 15 ? 0.4691 0.5268 0.6014 -0.0010 0.1223 0.0390 15 MET A SD 85 C CE . MET A 15 ? 0.4790 0.4885 0.5597 -0.0070 0.1338 0.0310 15 MET A CE 86 N N . SER A 16 ? 0.3926 0.4901 0.4456 -0.0168 0.0465 0.0345 16 SER A N 87 C CA . SER A 16 ? 0.3935 0.5075 0.4374 -0.0127 0.0327 0.0412 16 SER A CA 88 C C . SER A 16 ? 0.3922 0.5423 0.4499 -0.0174 0.0176 0.0363 16 SER A C 89 O O . SER A 16 ? 0.3859 0.5398 0.4468 -0.0297 0.0170 0.0222 16 SER A O 90 C CB . SER A 16 ? 0.3963 0.4901 0.4094 -0.0179 0.0322 0.0367 16 SER A CB 91 O OG . SER A 16 ? 0.3986 0.4646 0.4018 -0.0139 0.0432 0.0402 16 SER A OG 92 N N . SER A 17 ? 0.4013 0.5776 0.4671 -0.0074 0.0055 0.0478 17 SER A N 93 C CA . SER A 17 ? 0.4068 0.6233 0.4845 -0.0112 -0.0131 0.0425 17 SER A CA 94 C C . SER A 17 ? 0.4249 0.6494 0.4698 -0.0080 -0.0272 0.0484 17 SER A C 95 O O . SER A 17 ? 0.4377 0.6514 0.4675 0.0052 -0.0254 0.0661 17 SER A O 96 C CB . SER A 17 ? 0.4092 0.6584 0.5282 -0.0006 -0.0191 0.0513 17 SER A CB 97 O OG . SER A 17 ? 0.3971 0.6378 0.5467 -0.0040 -0.0026 0.0454 17 SER A OG 98 N N . PHE A 18 ? 0.4299 0.6707 0.4629 -0.0210 -0.0386 0.0329 18 PHE A N 99 C CA . PHE A 18 ? 0.4538 0.7038 0.4513 -0.0202 -0.0516 0.0353 18 PHE A CA 100 C C . PHE A 18 ? 0.4715 0.7688 0.4799 -0.0250 -0.0748 0.0261 18 PHE A C 101 O O . PHE A 18 ? 0.4691 0.7771 0.4858 -0.0424 -0.0773 0.0033 18 PHE A O 102 C CB . PHE A 18 ? 0.4512 0.6728 0.4183 -0.0332 -0.0417 0.0215 18 PHE A CB 103 C CG . PHE A 18 ? 0.4333 0.6142 0.3939 -0.0303 -0.0221 0.0269 18 PHE A CG 104 C CD1 . PHE A 18 ? 0.4083 0.5718 0.3889 -0.0352 -0.0100 0.0196 18 PHE A CD1 105 C CD2 . PHE A 18 ? 0.4446 0.6048 0.3780 -0.0234 -0.0156 0.0384 18 PHE A CD2 106 C CE1 . PHE A 18 ? 0.3928 0.5231 0.3658 -0.0329 0.0042 0.0229 18 PHE A CE1 107 C CE2 . PHE A 18 ? 0.4271 0.5543 0.3594 -0.0225 0.0007 0.0401 18 PHE A CE2 108 C CZ . PHE A 18 ? 0.4054 0.5197 0.3571 -0.0272 0.0086 0.0318 18 PHE A CZ 109 N N . ALA A 19 ? 0.4928 0.8185 0.5029 -0.0093 -0.0916 0.0435 19 ALA A N 110 C CA . ALA A 19 ? 0.5124 0.8910 0.5385 -0.0113 -0.1181 0.0362 19 ALA A CA 111 C C . ALA A 19 ? 0.5473 0.9384 0.5274 -0.0203 -0.1342 0.0251 19 ALA A C 112 O O . ALA A 19 ? 0.5547 0.9784 0.5442 -0.0356 -0.1494 0.0023 19 ALA A O 113 C CB . ALA A 19 ? 0.5228 0.9299 0.5724 0.0118 -0.1315 0.0611 19 ALA A CB 114 N N . ASN A 20 ? 0.5731 0.9374 0.5039 -0.0115 -0.1289 0.0403 20 ASN A N 115 C CA . ASN A 20 ? 0.6134 0.9788 0.4912 -0.0196 -0.1375 0.0312 20 ASN A CA 116 C C . ASN A 20 ? 0.6199 0.9351 0.4570 -0.0169 -0.1141 0.0410 20 ASN A C 117 O O . ASN A 20 ? 0.5923 0.8744 0.4470 -0.0141 -0.0927 0.0475 20 ASN A O 118 C CB . ASN A 20 ? 0.6591 1.0661 0.5157 -0.0063 -0.1672 0.0446 20 ASN A CB 119 C CG . ASN A 20 ? 0.6737 1.0838 0.5440 0.0214 -0.1700 0.0799 20 ASN A CG 120 O OD1 . ASN A 20 ? 0.6732 1.0427 0.5251 0.0335 -0.1496 0.1009 20 ASN A OD1 121 N ND2 . ASN A 20 ? 0.6962 1.1557 0.6031 0.0316 -0.1946 0.0858 20 ASN A ND2 122 N N . ARG A 21 ? 0.6619 0.9722 0.4453 -0.0187 -0.1176 0.0408 21 ARG A N 123 C CA . ARG A 21 ? 0.6727 0.9374 0.4193 -0.0176 -0.0936 0.0482 21 ARG A CA 124 C C . ARG A 21 ? 0.6735 0.9147 0.4202 0.0034 -0.0814 0.0803 21 ARG A C 125 O O . ARG A 21 ? 0.6616 0.8637 0.4049 0.0026 -0.0569 0.0838 21 ARG A O 126 C CB . ARG A 21 ? 0.7258 0.9908 0.4120 -0.0236 -0.0983 0.0416 21 ARG A CB 127 C CG . ARG A 21 ? 0.7327 1.0009 0.4135 -0.0482 -0.0968 0.0060 21 ARG A CG 128 C CD . ARG A 21 ? 0.8052 1.0788 0.4232 -0.0545 -0.1040 -0.0026 21 ARG A CD 129 N NE . ARG A 21 ? 0.8462 1.0811 0.4181 -0.0466 -0.0823 0.0141 21 ARG A NE 130 C CZ . ARG A 21 ? 0.8439 1.0417 0.4063 -0.0575 -0.0544 0.0019 21 ARG A CZ 131 N NH1 . ARG A 21 ? 0.8130 1.0050 0.4060 -0.0751 -0.0452 -0.0255 21 ARG A NH1 132 N NH2 . ARG A 21 ? 0.8733 1.0389 0.3976 -0.0499 -0.0341 0.0180 21 ARG A NH2 133 N N . SER A 22 ? 0.6886 0.9547 0.4436 0.0222 -0.0981 0.1025 22 SER A N 134 C CA . SER A 22 ? 0.6999 0.9429 0.4536 0.0439 -0.0857 0.1346 22 SER A CA 135 C C . SER A 22 ? 0.6595 0.9002 0.4700 0.0519 -0.0782 0.1419 22 SER A C 136 O O . SER A 22 ? 0.6510 0.8554 0.4683 0.0586 -0.0552 0.1543 22 SER A O 137 C CB . SER A 22 ? 0.7565 1.0205 0.4753 0.0639 -0.1048 0.1606 22 SER A CB 138 O OG . SER A 22 ? 0.7603 1.0773 0.5058 0.0688 -0.1360 0.1584 22 SER A OG 139 N N . TRP A 23 ? 0.6379 0.9165 0.4893 0.0501 -0.0959 0.1324 23 TRP A N 140 C CA . TRP A 23 ? 0.6053 0.8851 0.5104 0.0582 -0.0887 0.1389 23 TRP A CA 141 C C . TRP A 23 ? 0.5593 0.8141 0.4890 0.0413 -0.0691 0.1177 23 TRP A C 142 O O . TRP A 23 ? 0.5437 0.8037 0.4718 0.0222 -0.0717 0.0931 23 TRP A O 143 C CB . TRP A 23 ? 0.6062 0.9395 0.5488 0.0640 -0.1144 0.1382 23 TRP A CB 144 C CG . TRP A 23 ? 0.5915 0.9295 0.5864 0.0791 -0.1076 0.1524 23 TRP A CG 145 C CD1 . TRP A 23 ? 0.6183 0.9649 0.6246 0.1050 -0.1119 0.1822 23 TRP A CD1 146 C CD2 . TRP A 23 ? 0.5554 0.8881 0.5975 0.0701 -0.0933 0.1379 23 TRP A CD2 147 N NE1 . TRP A 23 ? 0.5946 0.9421 0.6555 0.1120 -0.1001 0.1854 23 TRP A NE1 148 C CE2 . TRP A 23 ? 0.5574 0.8960 0.6386 0.0903 -0.0884 0.1582 23 TRP A CE2 149 C CE3 . TRP A 23 ? 0.5254 0.8464 0.5784 0.0479 -0.0825 0.1111 23 TRP A CE3 150 C CZ2 . TRP A 23 ? 0.5301 0.8632 0.6588 0.0875 -0.0720 0.1504 23 TRP A CZ2 151 C CZ3 . TRP A 23 ? 0.4979 0.8130 0.5947 0.0461 -0.0675 0.1056 23 TRP A CZ3 152 C CH2 . TRP A 23 ? 0.5003 0.8213 0.6333 0.0650 -0.0619 0.1242 23 TRP A CH2 153 N N . SER A 24 ? 0.5416 0.7683 0.4925 0.0490 -0.0492 0.1277 24 SER A N 154 C CA . SER A 24 ? 0.5048 0.7063 0.4744 0.0359 -0.0313 0.1108 24 SER A CA 155 C C . SER A 24 ? 0.4946 0.6789 0.4948 0.0470 -0.0152 0.1220 24 SER A C 156 O O . SER A 24 ? 0.5153 0.6948 0.5180 0.0647 -0.0114 0.1443 24 SER A O 157 C CB . SER A 24 ? 0.5028 0.6693 0.4404 0.0250 -0.0172 0.1021 24 SER A CB 158 O OG . SER A 24 ? 0.4677 0.6129 0.4216 0.0147 -0.0034 0.0875 24 SER A OG 159 N N . ARG A 25 ? 0.4681 0.6403 0.4892 0.0367 -0.0041 0.1067 25 ARG A N 160 C CA . ARG A 25 ? 0.4610 0.6146 0.5080 0.0442 0.0132 0.1125 25 ARG A CA 161 C C . ARG A 25 ? 0.4384 0.5660 0.4853 0.0300 0.0275 0.0941 25 ARG A C 162 O O . ARG A 25 ? 0.4252 0.5617 0.4729 0.0169 0.0221 0.0780 25 ARG A O 163 C CB . ARG A 25 ? 0.4629 0.6488 0.5511 0.0542 0.0064 0.1191 25 ARG A CB 164 C CG . ARG A 25 ? 0.4748 0.6420 0.5896 0.0664 0.0260 0.1296 25 ARG A CG 165 C CD . ARG A 25 ? 0.4880 0.6892 0.6503 0.0761 0.0211 0.1348 25 ARG A CD 166 N NE . ARG A 25 ? 0.5087 0.6867 0.6965 0.0860 0.0448 0.1415 25 ARG A NE 167 C CZ . ARG A 25 ? 0.5430 0.7114 0.7410 0.1057 0.0531 0.1631 25 ARG A CZ 168 N NH1 . ARG A 25 ? 0.5564 0.7007 0.7783 0.1122 0.0779 0.1651 25 ARG A NH1 169 N NH2 . ARG A 25 ? 0.5670 0.7474 0.7496 0.1192 0.0386 0.1828 25 ARG A NH2 170 N N . THR A 26 ? 0.4387 0.5334 0.4836 0.0328 0.0458 0.0966 26 THR A N 171 C CA . THR A 26 ? 0.4253 0.4955 0.4677 0.0219 0.0582 0.0809 26 THR A CA 172 C C . THR A 26 ? 0.4312 0.4826 0.4916 0.0290 0.0766 0.0845 26 THR A C 173 O O . THR A 26 ? 0.4438 0.4785 0.5052 0.0380 0.0872 0.0951 26 THR A O 174 C CB . THR A 26 ? 0.4238 0.4704 0.4380 0.0127 0.0609 0.0722 26 THR A CB 175 O OG1 . THR A 26 ? 0.4191 0.4808 0.4186 0.0049 0.0473 0.0659 26 THR A OG1 176 C CG2 . THR A 26 ? 0.4152 0.4388 0.4248 0.0040 0.0706 0.0578 26 THR A CG2 177 N N . ASP A 27 ? 0.4241 0.4759 0.4984 0.0244 0.0830 0.0752 27 ASP A N 178 C CA . ASP A 27 ? 0.4351 0.4664 0.5231 0.0288 0.1033 0.0747 27 ASP A CA 179 C C . ASP A 27 ? 0.4342 0.4427 0.5029 0.0163 0.1119 0.0577 27 ASP A C 180 O O . ASP A 27 ? 0.4273 0.4447 0.4895 0.0076 0.1044 0.0496 27 ASP A O 181 C CB . ASP A 27 ? 0.4361 0.4914 0.5637 0.0387 0.1063 0.0829 27 ASP A CB 182 C CG . ASP A 27 ? 0.4489 0.5296 0.5953 0.0543 0.0950 0.1025 27 ASP A CG 183 O OD1 . ASP A 27 ? 0.4462 0.5618 0.5989 0.0541 0.0745 0.1048 27 ASP A OD1 184 O OD2 . ASP A 27 ? 0.4639 0.5288 0.6171 0.0670 0.1068 0.1154 27 ASP A OD2 185 N N . SER A 28 ? 0.4476 0.4257 0.5056 0.0156 0.1281 0.0523 28 SER A N 186 C CA . SER A 28 ? 0.4549 0.4103 0.4878 0.0053 0.1348 0.0371 28 SER A CA 187 C C . SER A 28 ? 0.4773 0.4111 0.5147 0.0071 0.1577 0.0324 28 SER A C 188 O O . SER A 28 ? 0.4895 0.4193 0.5495 0.0162 0.1709 0.0394 28 SER A O 189 C CB . SER A 28 ? 0.4579 0.3966 0.4626 -0.0016 0.1285 0.0285 28 SER A CB 190 O OG . SER A 28 ? 0.4501 0.4037 0.4446 -0.0065 0.1105 0.0277 28 SER A OG 191 N N . VAL A 29 ? 0.4870 0.4050 0.5009 -0.0007 0.1637 0.0210 29 VAL A N 192 C CA . VAL A 29 ? 0.5128 0.4052 0.5192 -0.0015 0.1870 0.0132 29 VAL A CA 193 C C . VAL A 29 ? 0.5309 0.3995 0.4899 -0.0113 0.1851 -0.0005 29 VAL A C 194 O O . VAL A 29 ? 0.5216 0.3973 0.4629 -0.0157 0.1692 -0.0009 29 VAL A O 195 C CB . VAL A 29 ? 0.5145 0.4175 0.5487 0.0019 0.2012 0.0176 29 VAL A CB 196 C CG1 . VAL A 29 ? 0.5070 0.4287 0.5897 0.0144 0.2079 0.0299 29 VAL A CG1 197 C CG2 . VAL A 29 ? 0.5004 0.4247 0.5369 -0.0028 0.1874 0.0196 29 VAL A CG2 198 N N . VAL A 30 ? 0.5609 0.4012 0.4988 -0.0143 0.2012 -0.0118 30 VAL A N 199 C CA . VAL A 30 ? 0.5862 0.4054 0.4749 -0.0225 0.1970 -0.0252 30 VAL A CA 200 C C . VAL A 30 ? 0.6245 0.4173 0.4899 -0.0245 0.2212 -0.0326 30 VAL A C 201 O O . VAL A 30 ? 0.6432 0.4228 0.5237 -0.0223 0.2441 -0.0362 30 VAL A O 202 C CB . VAL A 30 ? 0.5957 0.4055 0.4694 -0.0277 0.1884 -0.0373 30 VAL A CB 203 C CG1 . VAL A 30 ? 0.6231 0.4181 0.4471 -0.0352 0.1784 -0.0510 30 VAL A CG1 204 C CG2 . VAL A 30 ? 0.5608 0.3940 0.4574 -0.0260 0.1689 -0.0295 30 VAL A CG2 205 N N . TRP A 31 ? 0.6416 0.4245 0.4696 -0.0278 0.2183 -0.0339 31 TRP A N 206 C CA . TRP A 31 ? 0.6852 0.4393 0.4815 -0.0300 0.2426 -0.0400 31 TRP A CA 207 C C . TRP A 31 ? 0.7241 0.4548 0.4552 -0.0354 0.2339 -0.0515 31 TRP A C 208 O O . TRP A 31 ? 0.7148 0.4537 0.4247 -0.0354 0.2099 -0.0478 31 TRP A O 209 C CB . TRP A 31 ? 0.6826 0.4417 0.4912 -0.0279 0.2535 -0.0287 31 TRP A CB 210 C CG . TRP A 31 ? 0.6499 0.4375 0.5232 -0.0229 0.2590 -0.0185 31 TRP A CG 211 C CD1 . TRP A 31 ? 0.6107 0.4318 0.5192 -0.0205 0.2375 -0.0093 31 TRP A CD1 212 C CD2 . TRP A 31 ? 0.6602 0.4477 0.5710 -0.0193 0.2869 -0.0171 31 TRP A CD2 213 N NE1 . TRP A 31 ? 0.5960 0.4401 0.5594 -0.0154 0.2471 -0.0021 31 TRP A NE1 214 C CE2 . TRP A 31 ? 0.6197 0.4452 0.5895 -0.0140 0.2771 -0.0062 31 TRP A CE2 215 C CE3 . TRP A 31 ? 0.7041 0.4635 0.6047 -0.0199 0.3196 -0.0247 31 TRP A CE3 216 C CZ2 . TRP A 31 ? 0.6167 0.4571 0.6404 -0.0079 0.2964 -0.0016 31 TRP A CZ2 217 C CZ3 . TRP A 31 ? 0.6979 0.4691 0.6541 -0.0143 0.3426 -0.0203 31 TRP A CZ3 218 C CH2 . TRP A 31 ? 0.6553 0.4686 0.6747 -0.0077 0.3295 -0.0083 31 TRP A CH2 219 N N . LEU A 32 ? 0.7679 0.4702 0.4678 -0.0395 0.2532 -0.0657 32 LEU A N 220 C CA . LEU A 32 ? 0.8175 0.4954 0.4479 -0.0441 0.2485 -0.0768 32 LEU A CA 221 C C . LEU A 32 ? 0.8587 0.5096 0.4604 -0.0431 0.2777 -0.0728 32 LEU A C 222 O O . LEU A 32 ? 0.8841 0.5153 0.4894 -0.0450 0.3087 -0.0809 32 LEU A O 223 C CB . LEU A 32 ? 0.8477 0.5114 0.4572 -0.0518 0.2496 -0.0994 32 LEU A CB 224 C CG . LEU A 32 ? 0.9088 0.5493 0.4431 -0.0578 0.2426 -0.1155 32 LEU A CG 225 C CD1 . LEU A 32 ? 0.9017 0.5579 0.4068 -0.0547 0.2065 -0.1082 32 LEU A CD1 226 C CD2 . LEU A 32 ? 0.9351 0.5662 0.4630 -0.0680 0.2449 -0.1413 32 LEU A CD2 227 N N . GLY A 33 ? 0.8667 0.5150 0.4425 -0.0398 0.2706 -0.0599 33 GLY A N 228 C CA . GLY A 33 ? 0.9003 0.5252 0.4596 -0.0386 0.3009 -0.0521 33 GLY A CA 229 C C . GLY A 33 ? 0.8582 0.5024 0.4913 -0.0367 0.3202 -0.0440 33 GLY A C 230 O O . GLY A 33 ? 0.8073 0.4827 0.4867 -0.0341 0.3031 -0.0333 33 GLY A O 231 N N . ASP A 34 ? 0.8831 0.5104 0.5285 -0.0380 0.3552 -0.0501 34 ASP A N 232 C CA . ASP A 34 ? 0.8470 0.4957 0.5677 -0.0349 0.3739 -0.0435 34 ASP A CA 233 C C . ASP A 34 ? 0.8366 0.4909 0.5966 -0.0328 0.3842 -0.0523 34 ASP A C 234 O O . ASP A 34 ? 0.8270 0.4907 0.6423 -0.0288 0.4077 -0.0490 34 ASP A O 235 C CB . ASP A 34 ? 0.8803 0.5086 0.5994 -0.0363 0.4111 -0.0396 34 ASP A CB 236 C CG . ASP A 34 ? 0.9502 0.5339 0.6161 -0.0398 0.4444 -0.0525 34 ASP A CG 237 O OD1 . ASP A 34 ? 0.9808 0.5465 0.5951 -0.0424 0.4341 -0.0651 34 ASP A OD1 238 O OD2 . ASP A 34 ? 0.9813 0.5481 0.6577 -0.0408 0.4822 -0.0515 34 ASP A OD2 239 N N . LEU A 35 ? 0.8415 0.4902 0.5762 -0.0352 0.3673 -0.0633 35 LEU A N 240 C CA . LEU A 35 ? 0.8325 0.4835 0.6035 -0.0332 0.3757 -0.0710 35 LEU A CA 241 C C . LEU A 35 ? 0.7813 0.4643 0.5861 -0.0301 0.3432 -0.0645 35 LEU A C 242 O O . LEU A 35 ? 0.7763 0.4636 0.5488 -0.0343 0.3149 -0.0679 35 LEU A O 243 C CB . LEU A 35 ? 0.8896 0.5032 0.6071 -0.0410 0.3900 -0.0931 35 LEU A CB 244 C CG . LEU A 35 ? 0.9540 0.5286 0.6316 -0.0449 0.4283 -0.1035 35 LEU A CG 245 C CD1 . LEU A 35 ? 1.0085 0.5497 0.6274 -0.0544 0.4349 -0.1287 35 LEU A CD1 246 C CD2 . LEU A 35 ? 0.9506 0.5259 0.6903 -0.0384 0.4655 -0.0983 35 LEU A CD2 247 N N . GLN A 36 ? 0.7473 0.4527 0.6173 -0.0218 0.3478 -0.0543 36 GLN A N 248 C CA . GLN A 36 ? 0.7037 0.4366 0.6053 -0.0175 0.3215 -0.0461 36 GLN A CA 249 C C . GLN A 36 ? 0.7217 0.4359 0.6066 -0.0221 0.3209 -0.0603 36 GLN A C 250 O O . GLN A 36 ? 0.7550 0.4447 0.6439 -0.0225 0.3481 -0.0707 36 GLN A O 251 C CB . GLN A 36 ? 0.6703 0.4315 0.6417 -0.0055 0.3268 -0.0296 36 GLN A CB 252 C CG . GLN A 36 ? 0.6325 0.4211 0.6309 0.0000 0.3004 -0.0182 36 GLN A CG 253 C CD . GLN A 36 ? 0.6033 0.4255 0.6637 0.0129 0.2991 0.0002 36 GLN A CD 254 O OE1 . GLN A 36 ? 0.6109 0.4396 0.7031 0.0180 0.3178 0.0038 36 GLN A OE1 255 N NE2 . GLN A 36 ? 0.5736 0.4188 0.6518 0.0186 0.2767 0.0118 36 GLN A NE2 256 N N . THR A 37 ? 0.7028 0.4285 0.5722 -0.0264 0.2919 -0.0620 37 THR A N 257 C CA . THR A 37 ? 0.7207 0.4314 0.5756 -0.0336 0.2890 -0.0781 37 THR A CA 258 C C . THR A 37 ? 0.6875 0.4162 0.5869 -0.0279 0.2800 -0.0673 37 THR A C 259 O O . THR A 37 ? 0.7013 0.4136 0.6163 -0.0288 0.2954 -0.0747 37 THR A O 260 C CB . THR A 37 ? 0.7359 0.4436 0.5373 -0.0442 0.2648 -0.0920 37 THR A CB 261 O OG1 . THR A 37 ? 0.7006 0.4354 0.5039 -0.0408 0.2377 -0.0775 37 THR A OG1 262 C CG2 . THR A 37 ? 0.7852 0.4658 0.5321 -0.0501 0.2777 -0.1054 37 THR A CG2 263 N N . HIS A 38 ? 0.6471 0.4068 0.5653 -0.0223 0.2573 -0.0501 38 HIS A N 264 C CA . HIS A 38 ? 0.6196 0.3964 0.5739 -0.0157 0.2485 -0.0370 38 HIS A CA 265 C C . HIS A 38 ? 0.5883 0.3947 0.5797 -0.0032 0.2426 -0.0142 38 HIS A C 266 O O . HIS A 38 ? 0.5798 0.3981 0.5706 -0.0021 0.2405 -0.0100 38 HIS A O 267 C CB . HIS A 38 ? 0.6045 0.3911 0.5413 -0.0235 0.2229 -0.0424 38 HIS A CB 268 C CG . HIS A 38 ? 0.6348 0.4004 0.5393 -0.0365 0.2229 -0.0666 38 HIS A CG 269 N ND1 . HIS A 38 ? 0.6579 0.4159 0.5185 -0.0440 0.2151 -0.0801 38 HIS A ND1 270 C CD2 . HIS A 38 ? 0.6535 0.4052 0.5632 -0.0439 0.2290 -0.0804 38 HIS A CD2 271 C CE1 . HIS A 38 ? 0.6881 0.4321 0.5276 -0.0553 0.2133 -0.1021 38 HIS A CE1 272 N NE2 . HIS A 38 ? 0.6829 0.4229 0.5541 -0.0566 0.2225 -0.1042 38 HIS A NE2 273 N N . ARG A 39 ? 0.5755 0.3933 0.5987 0.0058 0.2404 0.0000 39 ARG A N 274 C CA . ARG A 39 ? 0.5486 0.3990 0.6040 0.0177 0.2286 0.0214 39 ARG A CA 275 C C . ARG A 39 ? 0.5358 0.3948 0.5959 0.0209 0.2150 0.0314 39 ARG A C 276 O O . ARG A 39 ? 0.5543 0.3914 0.6159 0.0207 0.2273 0.0287 39 ARG A O 277 C CB . ARG A 39 ? 0.5587 0.4115 0.6554 0.0318 0.2492 0.0333 39 ARG A CB 278 C CG . ARG A 39 ? 0.5430 0.4312 0.6763 0.0467 0.2350 0.0566 39 ARG A CG 279 C CD . ARG A 39 ? 0.5677 0.4594 0.7474 0.0639 0.2541 0.0706 39 ARG A CD 280 N NE . ARG A 39 ? 0.6066 0.4683 0.7938 0.0711 0.2743 0.0745 39 ARG A NE 281 C CZ . ARG A 39 ? 0.6440 0.4761 0.8443 0.0734 0.3056 0.0671 39 ARG A CZ 282 N NH1 . ARG A 39 ? 0.6550 0.4836 0.8603 0.0697 0.3207 0.0559 39 ARG A NH1 283 N NH2 . ARG A 39 ? 0.6720 0.4752 0.8806 0.0792 0.3247 0.0705 39 ARG A NH2 284 N N . TRP A 40 ? 0.5090 0.3974 0.5707 0.0228 0.1921 0.0419 40 TRP A N 285 C CA . TRP A 40 ? 0.5009 0.3974 0.5651 0.0271 0.1814 0.0536 40 TRP A CA 286 C C . TRP A 40 ? 0.4856 0.4163 0.5690 0.0386 0.1660 0.0732 40 TRP A C 287 O O . TRP A 40 ? 0.4644 0.4177 0.5377 0.0335 0.1463 0.0720 40 TRP A O 288 C CB . TRP A 40 ? 0.4927 0.3848 0.5279 0.0137 0.1679 0.0407 40 TRP A CB 289 C CG . TRP A 40 ? 0.4951 0.3846 0.5317 0.0157 0.1662 0.0489 40 TRP A CG 290 C CD1 . TRP A 40 ? 0.5119 0.3914 0.5662 0.0269 0.1800 0.0644 40 TRP A CD1 291 C CD2 . TRP A 40 ? 0.4874 0.3816 0.5076 0.0067 0.1528 0.0429 40 TRP A CD2 292 N NE1 . TRP A 40 ? 0.5158 0.3917 0.5623 0.0248 0.1771 0.0687 40 TRP A NE1 293 C CE2 . TRP A 40 ? 0.4986 0.3845 0.5261 0.0119 0.1607 0.0546 40 TRP A CE2 294 C CE3 . TRP A 40 ? 0.4729 0.3762 0.4745 -0.0040 0.1365 0.0298 40 TRP A CE3 295 C CZ2 . TRP A 40 ? 0.4940 0.3812 0.5116 0.0051 0.1544 0.0519 40 TRP A CZ2 296 C CZ3 . TRP A 40 ? 0.4660 0.3728 0.4615 -0.0096 0.1286 0.0272 40 TRP A CZ3 297 C CH2 . TRP A 40 ? 0.4765 0.3754 0.4802 -0.0058 0.1383 0.0373 40 TRP A CH2 298 N N . SER A 41 ? 0.5018 0.4361 0.6135 0.0546 0.1754 0.0908 41 SER A N 299 C CA . SER A 41 ? 0.4983 0.4673 0.6290 0.0681 0.1592 0.1110 41 SER A CA 300 C C . SER A 41 ? 0.5025 0.4763 0.6123 0.0693 0.1450 0.1211 41 SER A C 301 O O . SER A 41 ? 0.5147 0.4610 0.6081 0.0649 0.1552 0.1184 41 SER A O 302 C CB . SER A 41 ? 0.5173 0.4874 0.6856 0.0877 0.1737 0.1289 41 SER A CB 303 O OG . SER A 41 ? 0.5221 0.5222 0.7034 0.1037 0.1568 0.1520 41 SER A OG 304 N N . ASN A 42 ? 0.4965 0.5056 0.6076 0.0741 0.1228 0.1310 42 ASN A N 305 C CA . ASN A 42 ? 0.5060 0.5223 0.5947 0.0770 0.1097 0.1425 42 ASN A CA 306 C C . ASN A 42 ? 0.5381 0.5350 0.6298 0.0936 0.1234 0.1649 42 ASN A C 307 O O . ASN A 42 ? 0.5523 0.5340 0.6195 0.0922 0.1255 0.1705 42 ASN A O 308 C CB . ASN A 42 ? 0.4986 0.5586 0.5900 0.0801 0.0837 0.1479 42 ASN A CB 309 C CG . ASN A 42 ? 0.5072 0.5734 0.5645 0.0758 0.0693 0.1504 42 ASN A CG 310 O OD1 . ASN A 42 ? 0.4958 0.5644 0.5347 0.0598 0.0616 0.1331 42 ASN A OD1 311 N ND2 . ASN A 42 ? 0.5424 0.6090 0.5898 0.0909 0.0676 0.1729 42 ASN A ND2 312 N N . ASP A 43 ? 0.5536 0.5489 0.6770 0.1096 0.1354 0.1781 43 ASP A N 313 C CA . ASP A 43 ? 0.5898 0.5633 0.7215 0.1284 0.1521 0.2021 43 ASP A CA 314 C C . ASP A 43 ? 0.6023 0.5270 0.7231 0.1188 0.1795 0.1922 43 ASP A C 315 O O . ASP A 43 ? 0.6318 0.5328 0.7445 0.1273 0.1926 0.2085 43 ASP A O 316 C CB . ASP A 43 ? 0.6024 0.5850 0.7778 0.1477 0.1610 0.2162 43 ASP A CB 317 C CG . ASP A 43 ? 0.5954 0.6311 0.7923 0.1557 0.1342 0.2223 43 ASP A CG 318 O OD1 . ASP A 43 ? 0.6206 0.6776 0.8394 0.1790 0.1266 0.2481 43 ASP A OD1 319 O OD2 . ASP A 43 ? 0.5775 0.6342 0.7714 0.1390 0.1208 0.2014 43 ASP A OD2 320 N N . SER A 44 ? 0.5849 0.4949 0.7051 0.1009 0.1884 0.1652 44 SER A N 321 C CA . SER A 44 ? 0.5986 0.4664 0.7136 0.0898 0.2132 0.1505 44 SER A CA 322 C C . SER A 44 ? 0.5887 0.4492 0.6749 0.0727 0.2066 0.1370 44 SER A C 323 O O . SER A 44 ? 0.5627 0.4460 0.6319 0.0619 0.1852 0.1258 44 SER A O 324 C CB . SER A 44 ? 0.5928 0.4487 0.7171 0.0791 0.2251 0.1270 44 SER A CB 325 O OG . SER A 44 ? 0.6173 0.4333 0.7397 0.0694 0.2498 0.1120 44 SER A OG 326 N N . ALA A 45 ? 0.6119 0.4399 0.6966 0.0703 0.2273 0.1381 45 ALA A N 327 C CA . ALA A 45 ? 0.6062 0.4248 0.6726 0.0527 0.2263 0.1221 45 ALA A CA 328 C C . ALA A 45 ? 0.5944 0.4034 0.6604 0.0329 0.2288 0.0894 45 ALA A C 329 O O . ALA A 45 ? 0.5789 0.3950 0.6317 0.0176 0.2172 0.0719 45 ALA A O 330 C CB . ALA A 45 ? 0.6381 0.4248 0.7074 0.0564 0.2505 0.1344 45 ALA A CB 331 N N . THR A 46 ? 0.6055 0.3992 0.6857 0.0342 0.2437 0.0817 46 THR A N 332 C CA . THR A 46 ? 0.6063 0.3862 0.6812 0.0163 0.2489 0.0509 46 THR A CA 333 C C . THR A 46 ? 0.5906 0.3855 0.6593 0.0160 0.2385 0.0425 46 THR A C 334 O O . THR A 46 ? 0.5883 0.3944 0.6705 0.0305 0.2394 0.0589 46 THR A O 335 C CB . THR A 46 ? 0.6430 0.3837 0.7348 0.0138 0.2813 0.0425 46 THR A CB 336 O OG1 . THR A 46 ? 0.6637 0.3955 0.7761 0.0330 0.2979 0.0631 46 THR A OG1 337 C CG2 . THR A 46 ? 0.6604 0.3815 0.7585 0.0089 0.2952 0.0447 46 THR A CG2 338 N N . ILE A 47 ? 0.5816 0.3773 0.6308 -0.0001 0.2290 0.0176 47 ILE A N 339 C CA . ILE A 47 ? 0.5773 0.3785 0.6148 -0.0023 0.2245 0.0075 47 ILE A CA 340 C C . ILE A 47 ? 0.6084 0.3811 0.6570 -0.0002 0.2527 0.0005 47 ILE A C 341 O O . ILE A 47 ? 0.6349 0.3805 0.6882 -0.0072 0.2712 -0.0118 47 ILE A O 342 C CB . ILE A 47 ? 0.5702 0.3765 0.5787 -0.0183 0.2070 -0.0152 47 ILE A CB 343 C CG1 . ILE A 47 ? 0.5447 0.3765 0.5468 -0.0198 0.1827 -0.0088 47 ILE A CG1 344 C CG2 . ILE A 47 ? 0.5747 0.3827 0.5653 -0.0193 0.2047 -0.0223 47 ILE A CG2 345 C CD1 . ILE A 47 ? 0.5431 0.3785 0.5257 -0.0338 0.1670 -0.0295 47 ILE A CD1 346 N N . SER A 48 ? 0.6074 0.3861 0.6635 0.0086 0.2581 0.0075 48 SER A N 347 C CA . SER A 48 ? 0.6378 0.3903 0.7075 0.0123 0.2874 0.0020 48 SER A CA 348 C C . SER A 48 ? 0.6541 0.3935 0.6938 -0.0009 0.2917 -0.0230 48 SER A C 349 O O . SER A 48 ? 0.6379 0.3950 0.6538 -0.0060 0.2720 -0.0267 48 SER A O 350 C CB . SER A 48 ? 0.6321 0.3999 0.7359 0.0322 0.2942 0.0263 48 SER A CB 351 O OG . SER A 48 ? 0.6205 0.4084 0.7424 0.0456 0.2817 0.0517 48 SER A OG 352 N N . PHE A 49 ? 0.6905 0.3965 0.7294 -0.0062 0.3191 -0.0398 49 PHE A N 353 C CA . PHE A 49 ? 0.7164 0.4050 0.7232 -0.0173 0.3285 -0.0631 49 PHE A CA 354 C C . PHE A 49 ? 0.7262 0.4106 0.7524 -0.0055 0.3508 -0.0539 49 PHE A C 355 O O . PHE A 49 ? 0.7349 0.4114 0.8014 0.0077 0.3724 -0.0406 49 PHE A O 356 C CB . PHE A 49 ? 0.7570 0.4106 0.7493 -0.0322 0.3473 -0.0914 49 PHE A CB 357 C CG . PHE A 49 ? 0.7513 0.4098 0.7323 -0.0455 0.3282 -0.1041 49 PHE A CG 358 C CD1 . PHE A 49 ? 0.7394 0.4194 0.6874 -0.0548 0.2966 -0.1127 49 PHE A CD1 359 C CD2 . PHE A 49 ? 0.7663 0.4066 0.7729 -0.0485 0.3442 -0.1078 49 PHE A CD2 360 C CE1 . PHE A 49 ? 0.7343 0.4220 0.6789 -0.0667 0.2796 -0.1254 49 PHE A CE1 361 C CE2 . PHE A 49 ? 0.7626 0.4084 0.7649 -0.0622 0.3293 -0.1215 49 PHE A CE2 362 C CZ . PHE A 49 ? 0.7448 0.4165 0.7178 -0.0713 0.2961 -0.1308 49 PHE A CZ 363 N N . THR A 50 ? 0.7291 0.4184 0.7291 -0.0095 0.3470 -0.0599 50 THR A N 364 C CA . THR A 50 ? 0.7412 0.4262 0.7605 -0.0006 0.3711 -0.0542 50 THR A CA 365 C C . THR A 50 ? 0.7905 0.4402 0.7705 -0.0125 0.3954 -0.0799 50 THR A C 366 O O . THR A 50 ? 0.8080 0.4490 0.7979 -0.0076 0.4198 -0.0791 50 THR A O 367 C CB . THR A 50 ? 0.7067 0.4270 0.7374 0.0065 0.3533 -0.0364 50 THR A CB 368 O OG1 . THR A 50 ? 0.7042 0.4273 0.6856 -0.0057 0.3334 -0.0468 50 THR A OG1 369 C CG2 . THR A 50 ? 0.6657 0.4210 0.7337 0.0185 0.3308 -0.0123 50 THR A CG2 370 N N . LYS A 51 ? 0.8151 0.4461 0.7505 -0.0284 0.3883 -0.1035 51 LYS A N 371 C CA . LYS A 51 ? 0.8719 0.4659 0.7648 -0.0413 0.4111 -0.1318 51 LYS A CA 372 C C . LYS A 51 ? 0.8968 0.4692 0.7837 -0.0535 0.4160 -0.1542 51 LYS A C 373 O O . LYS A 51 ? 0.8733 0.4626 0.7684 -0.0566 0.3919 -0.1516 51 LYS A O 374 C CB . LYS A 51 ? 0.8870 0.4824 0.7168 -0.0513 0.3927 -0.1423 51 LYS A CB 375 C CG . LYS A 51 ? 0.8754 0.4818 0.7050 -0.0429 0.3969 -0.1257 51 LYS A CG 376 C CD . LYS A 51 ? 0.9158 0.4942 0.7521 -0.0403 0.4396 -0.1317 51 LYS A CD 377 C CE . LYS A 51 ? 0.9027 0.4979 0.7598 -0.0307 0.4463 -0.1124 51 LYS A CE 378 N NZ . LYS A 51 ? 0.8486 0.4832 0.7743 -0.0163 0.4327 -0.0863 51 LYS A NZ 379 N N . PRO A 52 ? 0.9479 0.4820 0.8223 -0.0616 0.4494 -0.1780 52 PRO A N 380 C CA . PRO A 52 ? 0.9798 0.4899 0.8457 -0.0772 0.4571 -0.2058 52 PRO A CA 381 C C . PRO A 52 ? 0.9821 0.5051 0.8013 -0.0946 0.4216 -0.2264 52 PRO A C 382 O O . PRO A 52 ? 0.9960 0.5115 0.8215 -0.1073 0.4198 -0.2458 52 PRO A O 383 C CB . PRO A 52 ? 1.0428 0.5106 0.8877 -0.0845 0.4975 -0.2306 52 PRO A CB 384 C CG . PRO A 52 ? 1.0334 0.5024 0.9130 -0.0656 0.5210 -0.2063 52 PRO A CG 385 C CD . PRO A 52 ? 0.9809 0.4915 0.8596 -0.0557 0.4868 -0.1794 52 PRO A CD 386 N N . TRP A 53 ? 0.9711 0.5135 0.7476 -0.0948 0.3946 -0.2218 53 TRP A N 387 C CA . TRP A 53 ? 0.9777 0.5343 0.7080 -0.1085 0.3594 -0.2396 53 TRP A CA 388 C C . TRP A 53 ? 0.9204 0.5177 0.6623 -0.1006 0.3207 -0.2160 53 TRP A C 389 O O . TRP A 53 ? 0.9237 0.5373 0.6291 -0.1074 0.2894 -0.2246 53 TRP A O 390 C CB . TRP A 53 ? 1.0306 0.5700 0.6896 -0.1160 0.3604 -0.2572 53 TRP A CB 391 C CG . TRP A 53 ? 1.0232 0.5574 0.6741 -0.1027 0.3765 -0.2357 53 TRP A CG 392 C CD1 . TRP A 53 ? 1.0501 0.5546 0.7050 -0.0994 0.4177 -0.2383 53 TRP A CD1 393 C CD2 . TRP A 53 ? 0.9848 0.5440 0.6276 -0.0919 0.3546 -0.2098 53 TRP A CD2 394 N NE1 . TRP A 53 ? 1.0366 0.5479 0.6881 -0.0879 0.4224 -0.2160 53 TRP A NE1 395 C CE2 . TRP A 53 ? 0.9951 0.5387 0.6383 -0.0836 0.3843 -0.1986 53 TRP A CE2 396 C CE3 . TRP A 53 ? 0.9422 0.5341 0.5800 -0.0888 0.3150 -0.1961 53 TRP A CE3 397 C CZ2 . TRP A 53 ? 0.9694 0.5287 0.6087 -0.0739 0.3759 -0.1752 53 TRP A CZ2 398 C CZ3 . TRP A 53 ? 0.9184 0.5236 0.5499 -0.0783 0.3070 -0.1724 53 TRP A CZ3 399 C CH2 . TRP A 53 ? 0.9338 0.5227 0.5663 -0.0717 0.3374 -0.1626 53 TRP A CH2 400 N N . SER A 54 ? 0.8704 0.4842 0.6632 -0.0858 0.3231 -0.1870 54 SER A N 401 C CA . SER A 54 ? 0.8172 0.4671 0.6221 -0.0777 0.2913 -0.1640 54 SER A CA 402 C C . SER A 54 ? 0.7999 0.4690 0.6070 -0.0867 0.2629 -0.1731 54 SER A C 403 O O . SER A 54 ? 0.7708 0.4667 0.5710 -0.0835 0.2339 -0.1619 54 SER A O 404 C CB . SER A 54 ? 0.7763 0.4396 0.6343 -0.0611 0.3006 -0.1340 54 SER A CB 405 O OG . SER A 54 ? 0.7875 0.4400 0.6512 -0.0521 0.3245 -0.1250 54 SER A OG 406 N N . GLN A 55 ? 0.8209 0.4756 0.6411 -0.0983 0.2733 -0.1942 55 GLN A N 407 C CA . GLN A 55 ? 0.8082 0.4811 0.6373 -0.1089 0.2499 -0.2064 55 GLN A CA 408 C C . GLN A 55 ? 0.8369 0.5196 0.6172 -0.1210 0.2226 -0.2301 55 GLN A C 409 O O . GLN A 55 ? 0.8252 0.5310 0.6119 -0.1283 0.1968 -0.2391 55 GLN A O 410 C CB . GLN A 55 ? 0.8243 0.4774 0.6890 -0.1186 0.2732 -0.2219 55 GLN A CB 411 C CG . GLN A 55 ? 0.7876 0.4613 0.6821 -0.1254 0.2563 -0.2242 55 GLN A CG 412 C CD . GLN A 55 ? 0.7915 0.4413 0.7224 -0.1359 0.2839 -0.2394 55 GLN A CD 413 O OE1 . GLN A 55 ? 0.7883 0.4126 0.7442 -0.1271 0.3158 -0.2263 55 GLN A OE1 414 N NE2 . GLN A 55 ? 0.7991 0.4574 0.7368 -0.1543 0.2724 -0.2666 55 GLN A NE2 415 N N . GLY A 56 ? 0.8767 0.5422 0.6084 -0.1222 0.2287 -0.2391 56 GLY A N 416 C CA . GLY A 56 ? 0.9145 0.5870 0.5903 -0.1307 0.2026 -0.2585 56 GLY A CA 417 C C . GLY A 56 ? 0.9557 0.6243 0.6258 -0.1508 0.1983 -0.2965 56 GLY A C 418 O O . GLY A 56 ? 0.9831 0.6248 0.6681 -0.1605 0.2283 -0.3149 56 GLY A O 419 N N . LYS A 57 ? 0.9621 0.6586 0.6140 -0.1571 0.1612 -0.3088 57 LYS A N 420 C CA . LYS A 57 ? 1.0000 0.7017 0.6508 -0.1777 0.1509 -0.3477 57 LYS A CA 421 C C . LYS A 57 ? 0.9584 0.6870 0.6721 -0.1833 0.1393 -0.3494 57 LYS A C 422 O O . LYS A 57 ? 0.9802 0.7226 0.7045 -0.2008 0.1258 -0.3809 57 LYS A O 423 C CB . LYS A 57 ? 1.0464 0.7627 0.6332 -0.1822 0.1165 -0.3650 57 LYS A CB 424 C CG . LYS A 57 ? 1.1123 0.7951 0.6286 -0.1829 0.1327 -0.3741 57 LYS A CG 425 C CD . LYS A 57 ? 1.1675 0.8187 0.6782 -0.2029 0.1623 -0.4120 57 LYS A CD 426 C CE . LYS A 57 ? 1.2333 0.8490 0.6704 -0.2037 0.1811 -0.4215 57 LYS A CE 427 N NZ . LYS A 57 ? 1.2884 0.8682 0.7229 -0.2226 0.2166 -0.4579 57 LYS A NZ 428 N N . LEU A 58 ? 0.9021 0.6385 0.6574 -0.1690 0.1456 -0.3167 58 LEU A N 429 C CA . LEU A 58 ? 0.8639 0.6211 0.6774 -0.1723 0.1405 -0.3136 58 LEU A CA 430 C C . LEU A 58 ? 0.8792 0.6111 0.7335 -0.1855 0.1745 -0.3307 58 LEU A C 431 O O . LEU A 58 ? 0.8981 0.5953 0.7506 -0.1829 0.2082 -0.3276 58 LEU A O 432 C CB . LEU A 58 ? 0.8065 0.5755 0.6439 -0.1530 0.1394 -0.2736 58 LEU A CB 433 C CG . LEU A 58 ? 0.7809 0.5778 0.5964 -0.1399 0.1073 -0.2534 58 LEU A CG 434 C CD1 . LEU A 58 ? 0.7315 0.5306 0.5697 -0.1232 0.1164 -0.2176 58 LEU A CD1 435 C CD2 . LEU A 58 ? 0.7746 0.6070 0.6064 -0.1465 0.0749 -0.2663 58 LEU A CD2 436 N N . SER A 59 ? 0.8726 0.6212 0.7671 -0.1991 0.1676 -0.3482 59 SER A N 437 C CA . SER A 59 ? 0.8854 0.6092 0.8250 -0.2115 0.2018 -0.3618 59 SER A CA 438 C C . SER A 59 ? 0.8444 0.5575 0.8210 -0.1948 0.2242 -0.3238 59 SER A C 439 O O . SER A 59 ? 0.8028 0.5361 0.7756 -0.1777 0.2075 -0.2928 59 SER A O 440 C CB . SER A 59 ? 0.8957 0.6427 0.8694 -0.2330 0.1878 -0.3942 59 SER A CB 441 O OG . SER A 59 ? 0.8487 0.6314 0.8505 -0.2257 0.1646 -0.3761 59 SER A OG 442 N N . ASN A 60 ? 0.8620 0.5423 0.8724 -0.1996 0.2623 -0.3265 60 ASN A N 443 C CA . ASN A 60 ? 0.8341 0.5013 0.8772 -0.1832 0.2851 -0.2903 60 ASN A CA 444 C C . ASN A 60 ? 0.7958 0.4921 0.8670 -0.1806 0.2682 -0.2752 60 ASN A C 445 O O . ASN A 60 ? 0.7631 0.4649 0.8392 -0.1619 0.2681 -0.2395 60 ASN A O 446 C CB . ASN A 60 ? 0.8683 0.4916 0.9424 -0.1893 0.3305 -0.2976 60 ASN A CB 447 C CG . ASN A 60 ? 0.8945 0.4847 0.9477 -0.1813 0.3552 -0.2954 60 ASN A CG 448 O OD1 . ASN A 60 ? 0.8708 0.4677 0.8999 -0.1630 0.3469 -0.2708 60 ASN A OD1 449 N ND2 . ASN A 60 ? 0.9439 0.4975 1.0097 -0.1959 0.3881 -0.3224 60 ASN A ND2 450 N N . GLN A 61 ? 0.8043 0.5204 0.8947 -0.1998 0.2543 -0.3041 61 GLN A N 451 C CA . GLN A 61 ? 0.7718 0.5176 0.8910 -0.1995 0.2386 -0.2947 61 GLN A CA 452 C C . GLN A 61 ? 0.7351 0.5170 0.8256 -0.1856 0.2001 -0.2774 61 GLN A C 453 O O . GLN A 61 ? 0.6999 0.4975 0.8032 -0.1745 0.1936 -0.2527 61 GLN A O 454 C CB . GLN A 61 ? 0.7927 0.5537 0.9462 -0.2248 0.2337 -0.3337 61 GLN A CB 455 C CG . GLN A 61 ? 0.7755 0.5500 0.9764 -0.2276 0.2396 -0.3253 61 GLN A CG 456 C CD . GLN A 61 ? 0.8042 0.6025 1.0447 -0.2532 0.2303 -0.3662 61 GLN A CD 457 O OE1 . GLN A 61 ? 0.7941 0.6355 1.0336 -0.2564 0.1926 -0.3793 61 GLN A OE1 458 N NE2 . GLN A 61 ? 0.8341 0.6048 1.1130 -0.2713 0.2654 -0.3865 61 GLN A NE2 459 N N . GLN A 62 ? 0.7494 0.5416 0.7991 -0.1864 0.1770 -0.2906 62 GLN A N 460 C CA . GLN A 62 ? 0.7242 0.5449 0.7433 -0.1725 0.1435 -0.2738 62 GLN A CA 461 C C . GLN A 62 ? 0.6971 0.5066 0.7007 -0.1510 0.1527 -0.2355 62 GLN A C 462 O O . GLN A 62 ? 0.6632 0.4940 0.6673 -0.1392 0.1361 -0.2137 62 GLN A O 463 C CB . GLN A 62 ? 0.7565 0.5855 0.7303 -0.1778 0.1196 -0.2957 62 GLN A CB 464 C CG . GLN A 62 ? 0.7758 0.6370 0.7614 -0.1937 0.0911 -0.3278 62 GLN A CG 465 C CD . GLN A 62 ? 0.8247 0.6899 0.7595 -0.2000 0.0694 -0.3521 62 GLN A CD 466 O OE1 . GLN A 62 ? 0.8548 0.6909 0.7479 -0.1975 0.0841 -0.3519 62 GLN A OE1 467 N NE2 . GLN A 62 ? 0.8381 0.7403 0.7760 -0.2078 0.0346 -0.3732 62 GLN A NE2 468 N N . TRP A 63 ? 0.7137 0.4911 0.7071 -0.1463 0.1796 -0.2289 63 TRP A N 469 C CA . TRP A 63 ? 0.6898 0.4596 0.6753 -0.1265 0.1888 -0.1946 63 TRP A CA 470 C C . TRP A 63 ? 0.6618 0.4364 0.6797 -0.1174 0.1970 -0.1690 63 TRP A C 471 O O . TRP A 63 ? 0.6325 0.4247 0.6440 -0.1043 0.1833 -0.1451 63 TRP A O 472 C CB . TRP A 63 ? 0.7165 0.4524 0.6933 -0.1228 0.2180 -0.1937 63 TRP A CB 473 C CG . TRP A 63 ? 0.6887 0.4220 0.6668 -0.1023 0.2267 -0.1592 63 TRP A CG 474 C CD1 . TRP A 63 ? 0.6841 0.4014 0.6901 -0.0912 0.2514 -0.1377 63 TRP A CD1 475 C CD2 . TRP A 63 ? 0.6647 0.4139 0.6174 -0.0904 0.2099 -0.1426 63 TRP A CD2 476 N NE1 . TRP A 63 ? 0.6594 0.3861 0.6604 -0.0735 0.2480 -0.1102 63 TRP A NE1 477 C CE2 . TRP A 63 ? 0.6486 0.3943 0.6189 -0.0740 0.2241 -0.1139 63 TRP A CE2 478 C CE3 . TRP A 63 ? 0.6637 0.4291 0.5811 -0.0918 0.1849 -0.1487 63 TRP A CE3 479 C CZ2 . TRP A 63 ? 0.6268 0.3868 0.5849 -0.0614 0.2143 -0.0946 63 TRP A CZ2 480 C CZ3 . TRP A 63 ? 0.6438 0.4181 0.5469 -0.0786 0.1786 -0.1274 63 TRP A CZ3 481 C CH2 . TRP A 63 ? 0.6235 0.3961 0.5490 -0.0649 0.1934 -0.1024 63 TRP A CH2 482 N N . GLU A 64 ? 0.6769 0.4338 0.7273 -0.1251 0.2208 -0.1749 64 GLU A N 483 C CA . GLU A 64 ? 0.6597 0.4157 0.7360 -0.1168 0.2326 -0.1505 64 GLU A CA 484 C C . GLU A 64 ? 0.6281 0.4176 0.7070 -0.1159 0.2066 -0.1445 64 GLU A C 485 O O . GLU A 64 ? 0.6059 0.4030 0.6833 -0.1024 0.2045 -0.1173 64 GLU A O 486 C CB . GLU A 64 ? 0.6873 0.4163 0.7974 -0.1281 0.2639 -0.1615 64 GLU A CB 487 C CG . GLU A 64 ? 0.7199 0.4100 0.8349 -0.1214 0.2978 -0.1534 64 GLU A CG 488 N N . LYS A 65 ? 0.6304 0.4408 0.7134 -0.1300 0.1865 -0.1706 65 LYS A N 489 C CA . LYS A 65 ? 0.6048 0.4477 0.6950 -0.1291 0.1624 -0.1677 65 LYS A CA 490 C C . LYS A 65 ? 0.5814 0.4400 0.6401 -0.1135 0.1408 -0.1471 65 LYS A C 491 O O . LYS A 65 ? 0.5572 0.4309 0.6201 -0.1056 0.1332 -0.1298 65 LYS A O 492 C CB . LYS A 65 ? 0.6146 0.4799 0.7182 -0.1456 0.1427 -0.2006 65 LYS A CB 493 C CG . LYS A 65 ? 0.5939 0.4917 0.7198 -0.1457 0.1238 -0.1998 65 LYS A CG 494 C CD . LYS A 65 ? 0.6162 0.5351 0.7746 -0.1641 0.1127 -0.2337 65 LYS A CD 495 N N . LEU A 66 ? 0.5933 0.4459 0.6206 -0.1101 0.1340 -0.1500 66 LEU A N 496 C CA . LEU A 66 ? 0.5748 0.4377 0.5733 -0.0966 0.1182 -0.1317 66 LEU A CA 497 C C . LEU A 66 ? 0.5606 0.4150 0.5613 -0.0828 0.1328 -0.1029 66 LEU A C 498 O O . LEU A 66 ? 0.5382 0.4079 0.5308 -0.0736 0.1204 -0.0862 66 LEU A O 499 C CB . LEU A 66 ? 0.5971 0.4514 0.5607 -0.0976 0.1122 -0.1430 66 LEU A CB 500 C CG . LEU A 66 ? 0.5839 0.4465 0.5158 -0.0863 0.0967 -0.1284 66 LEU A CG 501 C CD1 . LEU A 66 ? 0.5635 0.4524 0.4910 -0.0854 0.0682 -0.1303 66 LEU A CD1 502 C CD2 . LEU A 66 ? 0.6159 0.4600 0.5131 -0.0876 0.1019 -0.1381 66 LEU A CD2 503 N N . GLN A 67 ? 0.5780 0.4086 0.5906 -0.0813 0.1587 -0.0977 67 GLN A N 504 C CA . GLN A 67 ? 0.5701 0.3951 0.5869 -0.0665 0.1709 -0.0696 67 GLN A CA 505 C C . GLN A 67 ? 0.5548 0.3905 0.5853 -0.0628 0.1699 -0.0542 67 GLN A C 506 O O . GLN A 67 ? 0.5372 0.3853 0.5603 -0.0515 0.1626 -0.0336 67 GLN A O 507 C CB . GLN A 67 ? 0.5968 0.3923 0.6254 -0.0633 0.1998 -0.0662 67 GLN A CB 508 C CG . GLN A 67 ? 0.5920 0.3861 0.6253 -0.0450 0.2087 -0.0356 67 GLN A CG 509 C CD . GLN A 67 ? 0.6255 0.3902 0.6743 -0.0388 0.2380 -0.0298 67 GLN A CD 510 O OE1 . GLN A 67 ? 0.6345 0.3947 0.6810 -0.0302 0.2441 -0.0240 67 GLN A OE1 511 N NE2 . GLN A 67 ? 0.6434 0.3865 0.7113 -0.0430 0.2590 -0.0313 67 GLN A NE2 512 N N . HIS A 68 ? 0.5668 0.3977 0.6175 -0.0734 0.1784 -0.0660 68 HIS A N 513 C CA . HIS A 68 ? 0.5635 0.3993 0.6265 -0.0715 0.1832 -0.0532 68 HIS A CA 514 C C . HIS A 68 ? 0.5359 0.3994 0.5868 -0.0674 0.1596 -0.0466 68 HIS A C 515 O O . HIS A 68 ? 0.5297 0.3974 0.5749 -0.0587 0.1612 -0.0267 68 HIS A O 516 C CB . HIS A 68 ? 0.5800 0.4085 0.6706 -0.0869 0.1960 -0.0727 68 HIS A CB 517 C CG . HIS A 68 ? 0.5892 0.4171 0.6924 -0.0859 0.2075 -0.0599 68 HIS A CG 518 N ND1 . HIS A 68 ? 0.5782 0.4298 0.6871 -0.0899 0.1930 -0.0648 68 HIS A ND1 519 C CD2 . HIS A 68 ? 0.6199 0.4241 0.7292 -0.0806 0.2342 -0.0417 68 HIS A CD2 520 C CE1 . HIS A 68 ? 0.5920 0.4342 0.7087 -0.0884 0.2114 -0.0517 68 HIS A CE1 521 N NE2 . HIS A 68 ? 0.6192 0.4322 0.7339 -0.0826 0.2360 -0.0367 68 HIS A NE2 522 N N . MET A 69 ? 0.5252 0.4063 0.5702 -0.0732 0.1381 -0.0630 69 MET A N 523 C CA . MET A 69 ? 0.5034 0.4075 0.5399 -0.0693 0.1180 -0.0580 69 MET A CA 524 C C . MET A 69 ? 0.4888 0.3973 0.5024 -0.0574 0.1107 -0.0398 69 MET A C 525 O O . MET A 69 ? 0.4768 0.3991 0.4848 -0.0530 0.1019 -0.0304 69 MET A O 526 C CB . MET A 69 ? 0.5016 0.4229 0.5407 -0.0766 0.0973 -0.0783 69 MET A CB 527 C CG . MET A 69 ? 0.5231 0.4421 0.5385 -0.0756 0.0854 -0.0859 69 MET A CG 528 S SD . MET A 69 ? 0.5436 0.4841 0.5416 -0.0699 0.0575 -0.0850 69 MET A SD 529 C CE . MET A 69 ? 0.5399 0.4661 0.5028 -0.0624 0.0591 -0.0753 69 MET A CE 530 N N . PHE A 70 ? 0.4936 0.3904 0.4969 -0.0532 0.1162 -0.0367 70 PHE A N 531 C CA . PHE A 70 ? 0.4801 0.3822 0.4701 -0.0425 0.1126 -0.0201 70 PHE A CA 532 C C . PHE A 70 ? 0.4777 0.3791 0.4736 -0.0335 0.1228 0.0006 70 PHE A C 533 O O . PHE A 70 ? 0.4656 0.3820 0.4540 -0.0269 0.1138 0.0131 70 PHE A O 534 C CB . PHE A 70 ? 0.4925 0.3827 0.4736 -0.0407 0.1180 -0.0238 70 PHE A CB 535 C CG . PHE A 70 ? 0.4951 0.3903 0.4568 -0.0444 0.1033 -0.0357 70 PHE A CG 536 C CD1 . PHE A 70 ? 0.4796 0.3904 0.4311 -0.0410 0.0884 -0.0294 70 PHE A CD1 537 C CD2 . PHE A 70 ? 0.5190 0.4011 0.4701 -0.0513 0.1055 -0.0533 70 PHE A CD2 538 C CE1 . PHE A 70 ? 0.4868 0.3981 0.4180 -0.0425 0.0769 -0.0371 70 PHE A CE1 539 C CE2 . PHE A 70 ? 0.5277 0.4126 0.4541 -0.0530 0.0916 -0.0618 70 PHE A CE2 540 C CZ . PHE A 70 ? 0.5104 0.4088 0.4269 -0.0476 0.0778 -0.0520 70 PHE A CZ 541 N N . GLN A 71 ? 0.4926 0.3758 0.5009 -0.0333 0.1418 0.0040 71 GLN A N 542 C CA . GLN A 71 ? 0.4985 0.3777 0.5087 -0.0232 0.1525 0.0260 71 GLN A CA 543 C C . GLN A 71 ? 0.4857 0.3790 0.4882 -0.0246 0.1443 0.0307 71 GLN A C 544 O O . GLN A 71 ? 0.4834 0.3886 0.4738 -0.0156 0.1379 0.0472 71 GLN A O 545 C CB . GLN A 71 ? 0.5257 0.3772 0.5510 -0.0237 0.1780 0.0278 71 GLN A CB 546 C CG . GLN A 71 ? 0.5411 0.3752 0.5741 -0.0199 0.1907 0.0262 71 GLN A CG 547 C CD . GLN A 71 ? 0.5753 0.3782 0.6259 -0.0234 0.2184 0.0230 71 GLN A CD 548 O OE1 . GLN A 71 ? 0.5918 0.3871 0.6515 -0.0352 0.2258 0.0108 71 GLN A OE1 549 N NE2 . GLN A 71 ? 0.5938 0.3778 0.6531 -0.0136 0.2358 0.0330 71 GLN A NE2 550 N N . VAL A 72 ? 0.4765 0.3700 0.4872 -0.0361 0.1443 0.0147 72 VAL A N 551 C CA . VAL A 72 ? 0.4653 0.3710 0.4719 -0.0390 0.1389 0.0151 72 VAL A CA 552 C C . VAL A 72 ? 0.4447 0.3723 0.4368 -0.0366 0.1176 0.0151 72 VAL A C 553 O O . VAL A 72 ? 0.4433 0.3804 0.4235 -0.0339 0.1141 0.0233 72 VAL A O 554 C CB . VAL A 72 ? 0.4632 0.3682 0.4908 -0.0520 0.1429 -0.0048 72 VAL A CB 555 C CG1 . VAL A 72 ? 0.4473 0.3667 0.4738 -0.0546 0.1371 -0.0065 72 VAL A CG1 556 C CG2 . VAL A 72 ? 0.4842 0.3662 0.5291 -0.0565 0.1682 -0.0052 72 VAL A CG2 557 N N . TYR A 73 ? 0.4317 0.3649 0.4230 -0.0380 0.1055 0.0054 73 TYR A N 558 C CA . TYR A 73 ? 0.4157 0.3651 0.3954 -0.0362 0.0889 0.0053 73 TYR A CA 559 C C . TYR A 73 ? 0.4155 0.3738 0.3844 -0.0279 0.0863 0.0214 73 TYR A C 560 O O . TYR A 73 ? 0.4103 0.3819 0.3709 -0.0282 0.0782 0.0231 73 TYR A O 561 C CB . TYR A 73 ? 0.4102 0.3587 0.3872 -0.0382 0.0801 -0.0054 73 TYR A CB 562 C CG . TYR A 73 ? 0.4036 0.3621 0.3688 -0.0346 0.0695 -0.0014 73 TYR A CG 563 C CD1 . TYR A 73 ? 0.3971 0.3669 0.3589 -0.0363 0.0596 -0.0038 73 TYR A CD1 564 C CD2 . TYR A 73 ? 0.4103 0.3657 0.3714 -0.0302 0.0721 0.0038 73 TYR A CD2 565 C CE1 . TYR A 73 ? 0.3923 0.3685 0.3462 -0.0346 0.0531 -0.0013 73 TYR A CE1 566 C CE2 . TYR A 73 ? 0.4039 0.3680 0.3587 -0.0286 0.0654 0.0063 73 TYR A CE2 567 C CZ . TYR A 73 ? 0.3942 0.3680 0.3451 -0.0313 0.0560 0.0035 73 TYR A CZ 568 O OH . TYR A 73 ? 0.3921 0.3717 0.3395 -0.0311 0.0524 0.0047 73 TYR A OH 569 N N . ARG A 74 ? 0.4230 0.3754 0.3945 -0.0206 0.0931 0.0317 74 ARG A N 570 C CA . ARG A 74 ? 0.4219 0.3881 0.3894 -0.0116 0.0881 0.0465 74 ARG A CA 571 C C . ARG A 74 ? 0.4308 0.4053 0.3865 -0.0082 0.0866 0.0579 74 ARG A C 572 O O . ARG A 74 ? 0.4279 0.4218 0.3748 -0.0072 0.0744 0.0605 74 ARG A O 573 C CB . ARG A 74 ? 0.4343 0.3918 0.4129 -0.0025 0.0983 0.0567 74 ARG A CB 574 C CG . ARG A 74 ? 0.4381 0.4156 0.4207 0.0080 0.0908 0.0715 74 ARG A CG 575 C CD . ARG A 74 ? 0.4500 0.4196 0.4505 0.0181 0.1022 0.0805 74 ARG A CD 576 N NE . ARG A 74 ? 0.4763 0.4247 0.4807 0.0254 0.1189 0.0922 74 ARG A NE 577 C CZ . ARG A 74 ? 0.4959 0.4331 0.5174 0.0366 0.1327 0.1034 74 ARG A CZ 578 N NH1 . ARG A 74 ? 0.4906 0.4381 0.5286 0.0418 0.1317 0.1038 74 ARG A NH1 579 N NH2 . ARG A 74 ? 0.5196 0.4333 0.5441 0.0427 0.1504 0.1143 74 ARG A NH2 580 N N . VAL A 75 ? 0.4448 0.4031 0.3988 -0.0075 0.1004 0.0633 75 VAL A N 581 C CA . VAL A 75 ? 0.4595 0.4196 0.3958 -0.0043 0.1031 0.0749 75 VAL A CA 582 C C . VAL A 75 ? 0.4469 0.4186 0.3728 -0.0138 0.0945 0.0621 75 VAL A C 583 O O . VAL A 75 ? 0.4546 0.4399 0.3614 -0.0120 0.0865 0.0671 75 VAL A O 584 C CB . VAL A 75 ? 0.4840 0.4180 0.4224 -0.0030 0.1255 0.0825 75 VAL A CB 585 C CG1 . VAL A 75 ? 0.5075 0.4387 0.4238 -0.0035 0.1319 0.0897 75 VAL A CG1 586 C CG2 . VAL A 75 ? 0.4985 0.4201 0.4426 0.0101 0.1358 0.1012 75 VAL A CG2 587 N N . SER A 76 ? 0.4297 0.3967 0.3689 -0.0234 0.0956 0.0449 76 SER A N 588 C CA . SER A 76 ? 0.4221 0.3972 0.3577 -0.0311 0.0906 0.0328 76 SER A CA 589 C C . SER A 76 ? 0.4077 0.4002 0.3375 -0.0320 0.0744 0.0279 76 SER A C 590 O O . SER A 76 ? 0.4138 0.4147 0.3317 -0.0355 0.0709 0.0241 76 SER A O 591 C CB . SER A 76 ? 0.4113 0.3798 0.3679 -0.0388 0.0945 0.0171 76 SER A CB 592 O OG . SER A 76 ? 0.4283 0.3819 0.3947 -0.0410 0.1118 0.0184 76 SER A OG 593 N N . PHE A 77 ? 0.3953 0.3908 0.3338 -0.0299 0.0674 0.0269 77 PHE A N 594 C CA . PHE A 77 ? 0.3844 0.3939 0.3212 -0.0312 0.0556 0.0229 77 PHE A CA 595 C C . PHE A 77 ? 0.3952 0.4216 0.3200 -0.0285 0.0492 0.0307 77 PHE A C 596 O O . PHE A 77 ? 0.3940 0.4322 0.3134 -0.0340 0.0420 0.0229 77 PHE A O 597 C CB . PHE A 77 ? 0.3751 0.3816 0.3221 -0.0285 0.0540 0.0229 77 PHE A CB 598 C CG . PHE A 77 ? 0.3657 0.3854 0.3145 -0.0295 0.0461 0.0210 77 PHE A CG 599 C CD1 . PHE A 77 ? 0.3627 0.3970 0.3169 -0.0243 0.0430 0.0299 77 PHE A CD1 600 C CD2 . PHE A 77 ? 0.3553 0.3731 0.3039 -0.0352 0.0427 0.0106 77 PHE A CD2 601 C CE1 . PHE A 77 ? 0.3558 0.4043 0.3182 -0.0272 0.0373 0.0259 77 PHE A CE1 602 C CE2 . PHE A 77 ? 0.3462 0.3730 0.2991 -0.0377 0.0393 0.0081 77 PHE A CE2 603 C CZ . PHE A 77 ? 0.3477 0.3908 0.3090 -0.0348 0.0369 0.0144 77 PHE A CZ 604 N N . THR A 78 ? 0.4084 0.4362 0.3297 -0.0197 0.0515 0.0458 78 THR A N 605 C CA . THR A 78 ? 0.4235 0.4710 0.3324 -0.0148 0.0421 0.0553 78 THR A CA 606 C C . THR A 78 ? 0.4393 0.4896 0.3239 -0.0207 0.0413 0.0502 78 THR A C 607 O O . THR A 78 ? 0.4454 0.5150 0.3204 -0.0249 0.0297 0.0441 78 THR A O 608 C CB . THR A 78 ? 0.4426 0.4875 0.3508 -0.0010 0.0462 0.0761 78 THR A CB 609 O OG1 . THR A 78 ? 0.4283 0.4664 0.3602 0.0036 0.0512 0.0785 78 THR A OG1 610 C CG2 . THR A 78 ? 0.4603 0.5321 0.3576 0.0064 0.0311 0.0870 78 THR A CG2 611 N N . ARG A 79 ? 0.4481 0.4788 0.3246 -0.0225 0.0552 0.0504 79 ARG A N 612 C CA . ARG A 79 ? 0.4677 0.4970 0.3198 -0.0279 0.0594 0.0460 79 ARG A CA 613 C C . ARG A 79 ? 0.4557 0.4892 0.3129 -0.0395 0.0565 0.0256 79 ARG A C 614 O O . ARG A 79 ? 0.4727 0.5147 0.3099 -0.0449 0.0533 0.0184 79 ARG A O 615 C CB . ARG A 79 ? 0.4824 0.4883 0.3290 -0.0270 0.0792 0.0518 79 ARG A CB 616 C CG . ARG A 79 ? 0.5090 0.5113 0.3205 -0.0282 0.0864 0.0553 79 ARG A CG 617 C CD . ARG A 79 ? 0.5168 0.4938 0.3276 -0.0294 0.1106 0.0591 79 ARG A CD 618 N NE . ARG A 79 ? 0.4941 0.4657 0.3264 -0.0404 0.1197 0.0395 79 ARG A NE 619 C CZ . ARG A 79 ? 0.4961 0.4500 0.3394 -0.0445 0.1411 0.0367 79 ARG A CZ 620 N NH1 . ARG A 79 ? 0.5138 0.4491 0.3460 -0.0396 0.1586 0.0522 79 ARG A NH1 621 N NH2 . ARG A 79 ? 0.4840 0.4387 0.3527 -0.0530 0.1462 0.0188 79 ARG A NH2 622 N N . ASP A 80 ? 0.4320 0.4587 0.3145 -0.0426 0.0580 0.0164 80 ASP A N 623 C CA . ASP A 80 ? 0.4236 0.4502 0.3146 -0.0508 0.0574 0.0000 80 ASP A CA 624 C C . ASP A 80 ? 0.4227 0.4650 0.3101 -0.0554 0.0462 -0.0073 80 ASP A C 625 O O . ASP A 80 ? 0.4302 0.4735 0.3110 -0.0631 0.0482 -0.0198 80 ASP A O 626 C CB . ASP A 80 ? 0.4045 0.4213 0.3204 -0.0502 0.0589 -0.0047 80 ASP A CB 627 C CG . ASP A 80 ? 0.4240 0.4287 0.3503 -0.0509 0.0707 -0.0071 80 ASP A CG 628 O OD1 . ASP A 80 ? 0.4491 0.4483 0.3648 -0.0502 0.0811 -0.0006 80 ASP A OD1 629 O OD2 . ASP A 80 ? 0.4251 0.4265 0.3715 -0.0519 0.0700 -0.0152 80 ASP A OD2 630 N N . ILE A 81 ? 0.4153 0.4693 0.3100 -0.0514 0.0365 -0.0009 81 ILE A N 631 C CA . ILE A 81 ? 0.4149 0.4872 0.3119 -0.0568 0.0264 -0.0084 81 ILE A CA 632 C C . ILE A 81 ? 0.4427 0.5310 0.3152 -0.0604 0.0203 -0.0110 81 ILE A C 633 O O . ILE A 81 ? 0.4533 0.5480 0.3207 -0.0708 0.0185 -0.0266 81 ILE A O 634 C CB . ILE A 81 ? 0.4041 0.4880 0.3189 -0.0511 0.0194 -0.0003 81 ILE A CB 635 C CG1 . ILE A 81 ? 0.3803 0.4466 0.3120 -0.0492 0.0260 -0.0004 81 ILE A CG1 636 C CG2 . ILE A 81 ? 0.4071 0.5154 0.3295 -0.0577 0.0090 -0.0089 81 ILE A CG2 637 C CD1 . ILE A 81 ? 0.3715 0.4286 0.3100 -0.0569 0.0294 -0.0134 81 ILE A CD1 638 N N . GLN A 82 ? 0.4605 0.5527 0.3156 -0.0516 0.0181 0.0043 82 GLN A N 639 C CA . GLN A 82 ? 0.4950 0.6016 0.3182 -0.0524 0.0108 0.0054 82 GLN A CA 640 C C . GLN A 82 ? 0.5135 0.6080 0.3141 -0.0630 0.0211 -0.0095 82 GLN A C 641 O O . GLN A 82 ? 0.5390 0.6474 0.3156 -0.0701 0.0140 -0.0197 82 GLN A O 642 C CB . GLN A 82 ? 0.5171 0.6207 0.3225 -0.0384 0.0116 0.0286 82 GLN A CB 643 C CG . GLN A 82 ? 0.5185 0.6405 0.3413 -0.0264 -0.0009 0.0443 82 GLN A CG 644 C CD . GLN A 82 ? 0.5587 0.6723 0.3646 -0.0106 0.0032 0.0696 82 GLN A CD 645 O OE1 . GLN A 82 ? 0.5794 0.6675 0.3663 -0.0094 0.0197 0.0757 82 GLN A OE1 646 N NE2 . GLN A 82 ? 0.5727 0.7071 0.3883 0.0020 -0.0100 0.0850 82 GLN A NE2 647 N N . GLU A 83 ? 0.5030 0.5731 0.3127 -0.0642 0.0381 -0.0121 83 GLU A N 648 C CA . GLU A 83 ? 0.5192 0.5757 0.3154 -0.0732 0.0520 -0.0265 83 GLU A CA 649 C C . GLU A 83 ? 0.5079 0.5664 0.3208 -0.0841 0.0515 -0.0472 83 GLU A C 650 O O . GLU A 83 ? 0.5296 0.5855 0.3261 -0.0938 0.0579 -0.0629 83 GLU A O 651 C CB . GLU A 83 ? 0.5113 0.5448 0.3196 -0.0700 0.0703 -0.0222 83 GLU A CB 652 C CG . GLU A 83 ? 0.5329 0.5568 0.3207 -0.0623 0.0793 -0.0047 83 GLU A CG 653 C CD . GLU A 83 ? 0.5797 0.6029 0.3214 -0.0648 0.0841 -0.0042 83 GLU A CD 654 O OE1 . GLU A 83 ? 0.6084 0.6281 0.3249 -0.0560 0.0857 0.0144 83 GLU A OE1 655 O OE2 . GLU A 83 ? 0.5926 0.6166 0.3209 -0.0750 0.0876 -0.0221 83 GLU A OE2 656 N N . LEU A 84 ? 0.4765 0.5364 0.3203 -0.0824 0.0462 -0.0470 84 LEU A N 657 C CA . LEU A 84 ? 0.4678 0.5258 0.3293 -0.0911 0.0478 -0.0634 84 LEU A CA 658 C C . LEU A 84 ? 0.4851 0.5638 0.3372 -0.1011 0.0373 -0.0758 84 LEU A C 659 O O . LEU A 84 ? 0.4934 0.5679 0.3491 -0.1125 0.0434 -0.0946 84 LEU A O 660 C CB . LEU A 84 ? 0.4377 0.4889 0.3285 -0.0854 0.0463 -0.0572 84 LEU A CB 661 C CG . LEU A 84 ? 0.4223 0.4545 0.3268 -0.0787 0.0555 -0.0523 84 LEU A CG 662 C CD1 . LEU A 84 ? 0.3973 0.4259 0.3193 -0.0713 0.0502 -0.0427 84 LEU A CD1 663 C CD2 . LEU A 84 ? 0.4262 0.4445 0.3401 -0.0834 0.0672 -0.0655 84 LEU A CD2 664 N N . VAL A 85 ? 0.4906 0.5922 0.3334 -0.0968 0.0217 -0.0661 85 VAL A N 665 C CA . VAL A 85 ? 0.5117 0.6405 0.3463 -0.1060 0.0076 -0.0783 85 VAL A CA 666 C C . VAL A 85 ? 0.5526 0.6810 0.3494 -0.1150 0.0107 -0.0919 85 VAL A C 667 O O . VAL A 85 ? 0.5709 0.7070 0.3651 -0.1297 0.0098 -0.1147 85 VAL A O 668 C CB . VAL A 85 ? 0.5117 0.6686 0.3481 -0.0961 -0.0114 -0.0621 85 VAL A CB 669 C CG1 . VAL A 85 ? 0.5358 0.7274 0.3629 -0.1053 -0.0299 -0.0757 85 VAL A CG1 670 C CG2 . VAL A 85 ? 0.4743 0.6310 0.3487 -0.0898 -0.0115 -0.0530 85 VAL A CG2 671 N N . LYS A 86 ? 0.5719 0.6889 0.3391 -0.1071 0.0170 -0.0792 86 LYS A N 672 C CA . LYS A 86 ? 0.6147 0.7243 0.3406 -0.1147 0.0254 -0.0905 86 LYS A CA 673 C C . LYS A 86 ? 0.6186 0.7065 0.3561 -0.1271 0.0451 -0.1130 86 LYS A C 674 O O . LYS A 86 ? 0.6532 0.7407 0.3662 -0.1399 0.0500 -0.1337 86 LYS A O 675 C CB . LYS A 86 ? 0.6284 0.7209 0.3275 -0.1033 0.0362 -0.0706 86 LYS A CB 676 C CG . LYS A 86 ? 0.6349 0.7436 0.3143 -0.0894 0.0205 -0.0464 86 LYS A CG 677 C CD . LYS A 86 ? 0.6362 0.7203 0.2955 -0.0787 0.0376 -0.0264 86 LYS A CD 678 C CE . LYS A 86 ? 0.6436 0.7388 0.2854 -0.0626 0.0249 0.0007 86 LYS A CE 679 N NZ . LYS A 86 ? 0.6491 0.7157 0.2778 -0.0527 0.0456 0.0207 86 LYS A NZ 680 N N . MET A 87 ? 0.5888 0.6586 0.3635 -0.1225 0.0563 -0.1090 87 MET A N 681 C CA . MET A 87 ? 0.5915 0.6388 0.3839 -0.1294 0.0759 -0.1251 87 MET A CA 682 C C . MET A 87 ? 0.5954 0.6470 0.4057 -0.1420 0.0744 -0.1455 87 MET A C 683 O O . MET A 87 ? 0.6126 0.6479 0.4259 -0.1516 0.0909 -0.1645 87 MET A O 684 C CB . MET A 87 ? 0.5576 0.5881 0.3829 -0.1178 0.0842 -0.1114 87 MET A CB 685 C CG . MET A 87 ? 0.5550 0.5639 0.4053 -0.1200 0.1026 -0.1229 87 MET A CG 686 S SD . MET A 87 ? 0.5495 0.5458 0.4275 -0.1056 0.1096 -0.1063 87 MET A SD 687 C CE . MET A 87 ? 0.5195 0.5069 0.4364 -0.1010 0.1082 -0.1067 87 MET A CE 688 N N . MET A 88 ? 0.5840 0.6562 0.4088 -0.1422 0.0572 -0.1419 88 MET A N 689 C CA . MET A 88 ? 0.5905 0.6668 0.4379 -0.1550 0.0576 -0.1606 88 MET A CA 690 C C . MET A 88 ? 0.6257 0.7298 0.4549 -0.1700 0.0441 -0.1802 88 MET A C 691 O O . MET A 88 ? 0.6364 0.7420 0.4828 -0.1850 0.0484 -0.2022 88 MET A O 692 C CB . MET A 88 ? 0.5565 0.6356 0.4386 -0.1479 0.0518 -0.1475 88 MET A CB 693 C CG . MET A 88 ? 0.5345 0.5857 0.4363 -0.1362 0.0647 -0.1342 88 MET A CG 694 S SD . MET A 88 ? 0.5534 0.5728 0.4627 -0.1417 0.0892 -0.1502 88 MET A SD 695 C CE . MET A 88 ? 0.5333 0.5387 0.4438 -0.1245 0.0939 -0.1306 88 MET A CE 696 N N . SER A 89 ? 0.6498 0.7756 0.4449 -0.1659 0.0279 -0.1722 89 SER A N 697 C CA . SER A 89 ? 0.6875 0.8459 0.4610 -0.1782 0.0095 -0.1894 89 SER A CA 698 C C . SER A 89 ? 0.7280 0.8745 0.4838 -0.1982 0.0236 -0.2220 89 SER A C 699 O O . SER A 89 ? 0.7393 0.8550 0.4790 -0.1979 0.0454 -0.2250 89 SER A O 700 C CB . SER A 89 ? 0.7094 0.8878 0.4415 -0.1665 -0.0086 -0.1709 89 SER A CB 701 O OG . SER A 89 ? 0.7396 0.8942 0.4295 -0.1645 0.0065 -0.1690 89 SER A OG 702 N N . PRO A 90 ? 0.7517 0.9229 0.5138 -0.2163 0.0126 -0.2482 90 PRO A N 703 C CA . PRO A 90 ? 0.7436 0.9566 0.5296 -0.2180 -0.0134 -0.2477 90 PRO A CA 704 C C . PRO A 90 ? 0.7135 0.9222 0.5580 -0.2242 -0.0047 -0.2540 90 PRO A C 705 O O . PRO A 90 ? 0.7110 0.9543 0.5827 -0.2311 -0.0216 -0.2618 90 PRO A O 706 C CB . PRO A 90 ? 0.7955 1.0381 0.5514 -0.2372 -0.0291 -0.2780 90 PRO A CB 707 C CG . PRO A 90 ? 0.8264 1.0329 0.5600 -0.2523 -0.0014 -0.3037 90 PRO A CG 708 C CD . PRO A 90 ? 0.7938 0.9543 0.5401 -0.2383 0.0264 -0.2840 90 PRO A CD 709 N N . LYS A 91 ? 0.6953 0.8627 0.5594 -0.2208 0.0215 -0.2495 91 LYS A N 710 C CA . LYS A 91 ? 0.6726 0.8273 0.5855 -0.2251 0.0345 -0.2525 91 LYS A CA 711 C C . LYS A 91 ? 0.6374 0.8103 0.5776 -0.2116 0.0212 -0.2286 91 LYS A C 712 O O . LYS A 91 ? 0.6299 0.8113 0.6082 -0.2195 0.0233 -0.2360 91 LYS A O 713 C CB . LYS A 91 ? 0.6644 0.7704 0.5864 -0.2198 0.0636 -0.2480 91 LYS A CB 714 N N . GLU A 92 ? 0.6188 0.7953 0.5410 -0.1919 0.0106 -0.2010 92 GLU A N 715 C CA . GLU A 92 ? 0.5901 0.7844 0.5343 -0.1784 -0.0016 -0.1787 92 GLU A CA 716 C C . GLU A 92 ? 0.5952 0.8176 0.5131 -0.1657 -0.0243 -0.1618 92 GLU A C 717 O O . GLU A 92 ? 0.6110 0.8224 0.4905 -0.1592 -0.0237 -0.1545 92 GLU A O 718 C CB . GLU A 92 ? 0.5604 0.7202 0.5183 -0.1644 0.0145 -0.1579 92 GLU A CB 719 C CG . GLU A 92 ? 0.5579 0.6957 0.5483 -0.1725 0.0334 -0.1670 92 GLU A CG 720 N N . ASP A 93 ? 0.5846 0.8422 0.5255 -0.1614 -0.0424 -0.1548 93 ASP A N 721 C CA . ASP A 93 ? 0.5947 0.8829 0.5150 -0.1482 -0.0657 -0.1382 93 ASP A CA 722 C C . ASP A 93 ? 0.5657 0.8727 0.5223 -0.1342 -0.0739 -0.1181 93 ASP A C 723 O O . ASP A 93 ? 0.5412 0.8396 0.5366 -0.1374 -0.0618 -0.1204 93 ASP A O 724 C CB . ASP A 93 ? 0.6355 0.9633 0.5396 -0.1615 -0.0873 -0.1598 93 ASP A CB 725 C CG . ASP A 93 ? 0.6738 1.0091 0.5222 -0.1511 -0.1014 -0.1474 93 ASP A CG 726 O OD1 . ASP A 93 ? 0.6804 0.9801 0.4975 -0.1418 -0.0859 -0.1328 93 ASP A OD1 727 O OD2 . ASP A 93 ? 0.7078 1.0854 0.5435 -0.1524 -0.1279 -0.1525 93 ASP A OD2 728 N N . TYR A 94 ? 0.5710 0.9008 0.5135 -0.1180 -0.0922 -0.0977 94 TYR A N 729 C CA . TYR A 94 ? 0.5464 0.8943 0.5225 -0.1022 -0.0993 -0.0770 94 TYR A CA 730 C C . TYR A 94 ? 0.5446 0.9389 0.5675 -0.1112 -0.1147 -0.0920 94 TYR A C 731 O O . TYR A 94 ? 0.5699 0.9908 0.5902 -0.1276 -0.1276 -0.1163 94 TYR A O 732 C CB . TYR A 94 ? 0.5630 0.9191 0.5095 -0.0811 -0.1127 -0.0499 94 TYR A CB 733 C CG . TYR A 94 ? 0.5602 0.8723 0.4658 -0.0733 -0.0956 -0.0359 94 TYR A CG 734 C CD1 . TYR A 94 ? 0.5923 0.8985 0.4470 -0.0752 -0.0988 -0.0378 94 TYR A CD1 735 C CD2 . TYR A 94 ? 0.5304 0.8073 0.4489 -0.0651 -0.0755 -0.0224 94 TYR A CD2 736 C CE1 . TYR A 94 ? 0.5955 0.8621 0.4187 -0.0691 -0.0804 -0.0261 94 TYR A CE1 737 C CE2 . TYR A 94 ? 0.5303 0.7708 0.4184 -0.0595 -0.0603 -0.0121 94 TYR A CE2 738 C CZ . TYR A 94 ? 0.5626 0.7983 0.4061 -0.0616 -0.0619 -0.0138 94 TYR A CZ 739 O OH . TYR A 94 ? 0.5646 0.7653 0.3840 -0.0570 -0.0443 -0.0047 94 TYR A OH 740 N N . PRO A 95 ? 0.5187 0.9236 0.5866 -0.1016 -0.1123 -0.0797 95 PRO A N 741 C CA . PRO A 95 ? 0.4941 0.8706 0.5679 -0.0833 -0.0974 -0.0538 95 PRO A CA 742 C C . PRO A 95 ? 0.4695 0.7987 0.5468 -0.0901 -0.0689 -0.0582 95 PRO A C 743 O O . PRO A 95 ? 0.4666 0.7912 0.5627 -0.1071 -0.0589 -0.0787 95 PRO A O 744 C CB . PRO A 95 ? 0.4855 0.8998 0.6112 -0.0746 -0.1069 -0.0463 95 PRO A CB 745 C CG . PRO A 95 ? 0.4926 0.9421 0.6537 -0.0948 -0.1150 -0.0743 95 PRO A CG 746 C CD . PRO A 95 ? 0.5168 0.9669 0.6387 -0.1110 -0.1237 -0.0951 95 PRO A CD 747 N N . ILE A 96 ? 0.4562 0.7506 0.5154 -0.0767 -0.0561 -0.0389 96 ILE A N 748 C CA . ILE A 96 ? 0.4391 0.6892 0.4925 -0.0807 -0.0331 -0.0412 96 ILE A CA 749 C C . ILE A 96 ? 0.4197 0.6508 0.4868 -0.0676 -0.0206 -0.0239 96 ILE A C 750 O O . ILE A 96 ? 0.4207 0.6539 0.4817 -0.0526 -0.0249 -0.0059 96 ILE A O 751 C CB . ILE A 96 ? 0.4479 0.6702 0.4587 -0.0821 -0.0286 -0.0422 96 ILE A CB 752 C CG1 . ILE A 96 ? 0.4662 0.6941 0.4685 -0.1000 -0.0304 -0.0660 96 ILE A CG1 753 C CG2 . ILE A 96 ? 0.4331 0.6136 0.4372 -0.0784 -0.0098 -0.0361 96 ILE A CG2 754 C CD1 . ILE A 96 ? 0.4925 0.7096 0.4531 -0.1009 -0.0320 -0.0680 96 ILE A CD1 755 N N . GLU A 97 ? 0.4075 0.6185 0.4916 -0.0735 -0.0037 -0.0298 97 GLU A N 756 C CA . GLU A 97 ? 0.3975 0.5862 0.4893 -0.0636 0.0107 -0.0171 97 GLU A CA 757 C C . GLU A 97 ? 0.3947 0.5405 0.4626 -0.0659 0.0261 -0.0185 97 GLU A C 758 O O . GLU A 97 ? 0.4004 0.5337 0.4705 -0.0767 0.0350 -0.0300 97 GLU A O 759 C CB . GLU A 97 ? 0.3933 0.5974 0.5270 -0.0665 0.0186 -0.0209 97 GLU A CB 760 C CG . GLU A 97 ? 0.4026 0.6566 0.5712 -0.0650 0.0015 -0.0221 97 GLU A CG 761 C CD . GLU A 97 ? 0.4086 0.6753 0.5840 -0.0458 -0.0053 -0.0019 97 GLU A CD 762 O OE1 . GLU A 97 ? 0.4120 0.7212 0.6106 -0.0405 -0.0237 0.0010 97 GLU A OE1 763 O OE2 . GLU A 97 ? 0.4121 0.6467 0.5708 -0.0358 0.0074 0.0106 97 GLU A OE2 764 N N . ILE A 98 ? 0.3906 0.5147 0.4373 -0.0557 0.0291 -0.0068 98 ILE A N 765 C CA . ILE A 98 ? 0.3904 0.4786 0.4172 -0.0557 0.0406 -0.0069 98 ILE A CA 766 C C . ILE A 98 ? 0.3925 0.4644 0.4233 -0.0485 0.0524 0.0008 98 ILE A C 767 O O . ILE A 98 ? 0.3935 0.4735 0.4328 -0.0399 0.0516 0.0097 98 ILE A O 768 C CB . ILE A 98 ? 0.3899 0.4652 0.3905 -0.0523 0.0359 -0.0042 98 ILE A CB 769 C CG1 . ILE A 98 ? 0.3965 0.4775 0.3888 -0.0611 0.0307 -0.0151 98 ILE A CG1 770 C CG2 . ILE A 98 ? 0.3883 0.4328 0.3737 -0.0492 0.0442 -0.0025 98 ILE A CG2 771 C CD1 . ILE A 98 ? 0.4052 0.5104 0.3916 -0.0609 0.0186 -0.0142 98 ILE A CD1 772 N N . GLN A 99 ? 0.4018 0.4489 0.4248 -0.0515 0.0647 -0.0021 99 GLN A N 773 C CA . GLN A 99 ? 0.4123 0.4384 0.4289 -0.0459 0.0773 0.0032 99 GLN A CA 774 C C . GLN A 99 ? 0.4220 0.4186 0.4065 -0.0438 0.0786 0.0035 99 GLN A C 775 O O . GLN A 99 ? 0.4282 0.4147 0.4024 -0.0478 0.0777 -0.0002 99 GLN A O 776 C CB . GLN A 99 ? 0.4225 0.4460 0.4570 -0.0506 0.0926 0.0004 99 GLN A CB 777 C CG . GLN A 99 ? 0.4235 0.4758 0.4956 -0.0491 0.0940 0.0017 99 GLN A CG 778 C CD . GLN A 99 ? 0.4480 0.5020 0.5455 -0.0570 0.1101 -0.0042 99 GLN A CD 779 O OE1 . GLN A 99 ? 0.4578 0.5292 0.5751 -0.0670 0.1069 -0.0133 99 GLN A OE1 780 N NE2 . GLN A 99 ? 0.4618 0.4965 0.5594 -0.0536 0.1296 -0.0006 99 GLN A NE2 781 N N . LEU A 100 ? 0.4278 0.4115 0.3989 -0.0375 0.0805 0.0074 100 LEU A N 782 C CA . LEU A 100 ? 0.4371 0.3991 0.3804 -0.0353 0.0776 0.0061 100 LEU A CA 783 C C . LEU A 100 ? 0.4591 0.3981 0.3844 -0.0327 0.0896 0.0068 100 LEU A C 784 O O . LEU A 100 ? 0.4616 0.4014 0.3966 -0.0305 0.0989 0.0083 100 LEU A O 785 C CB . LEU A 100 ? 0.4293 0.3980 0.3720 -0.0327 0.0682 0.0064 100 LEU A CB 786 C CG . LEU A 100 ? 0.4301 0.3939 0.3606 -0.0330 0.0583 0.0026 100 LEU A CG 787 C CD1 . LEU A 100 ? 0.4489 0.3926 0.3568 -0.0312 0.0575 0.0000 100 LEU A CD1 788 C CD2 . LEU A 100 ? 0.4203 0.3960 0.3580 -0.0366 0.0521 0.0006 100 LEU A CD2 789 N N . SER A 101 ? 0.4782 0.3962 0.3761 -0.0319 0.0900 0.0061 101 SER A N 790 C CA . SER A 101 ? 0.5074 0.4009 0.3779 -0.0296 0.1007 0.0061 101 SER A CA 791 C C . SER A 101 ? 0.5259 0.4053 0.3635 -0.0262 0.0890 0.0039 101 SER A C 792 O O . SER A 101 ? 0.5388 0.4100 0.3615 -0.0238 0.0834 0.0073 101 SER A O 793 C CB . SER A 101 ? 0.5254 0.4046 0.3915 -0.0313 0.1176 0.0098 101 SER A CB 794 O OG . SER A 101 ? 0.5623 0.4153 0.3965 -0.0290 0.1305 0.0102 101 SER A OG 795 N N . ALA A 102 ? 0.5305 0.4078 0.3593 -0.0259 0.0853 -0.0022 102 ALA A N 796 C CA . ALA A 102 ? 0.5476 0.4184 0.3509 -0.0239 0.0709 -0.0075 102 ALA A CA 797 C C . ALA A 102 ? 0.5843 0.4366 0.3574 -0.0247 0.0773 -0.0149 102 ALA A C 798 O O . ALA A 102 ? 0.5865 0.4341 0.3680 -0.0272 0.0925 -0.0181 102 ALA A O 799 C CB . ALA A 102 ? 0.5226 0.4130 0.3491 -0.0256 0.0569 -0.0127 102 ALA A CB 800 N N . GLY A 103 ? 0.6162 0.4584 0.3540 -0.0219 0.0653 -0.0180 103 GLY A N 801 C CA . GLY A 103 ? 0.6580 0.4827 0.3589 -0.0236 0.0684 -0.0279 103 GLY A CA 802 C C . GLY A 103 ? 0.7015 0.5143 0.3562 -0.0174 0.0548 -0.0251 103 GLY A C 803 O O . GLY A 103 ? 0.6931 0.5166 0.3530 -0.0113 0.0381 -0.0179 103 GLY A O 804 N N . CYS A 104 ? 0.7522 0.5421 0.3606 -0.0178 0.0626 -0.0302 104 CYS A N 805 C CA . CYS A 104 ? 0.8071 0.5824 0.3614 -0.0101 0.0503 -0.0251 104 CYS A CA 806 C C . CYS A 104 ? 0.8620 0.6031 0.3636 -0.0102 0.0723 -0.0244 104 CYS A C 807 O O . CYS A 104 ? 0.8678 0.5992 0.3722 -0.0181 0.0924 -0.0352 104 CYS A O 808 C CB . CYS A 104 ? 0.8216 0.6145 0.3647 -0.0104 0.0205 -0.0389 104 CYS A CB 809 S SG . CYS A 104 ? 0.8566 0.6469 0.3887 -0.0238 0.0242 -0.0663 104 CYS A SG 810 N N . GLU A 105 ? 0.9086 0.6296 0.3622 -0.0006 0.0703 -0.0106 105 GLU A N 811 C CA . GLU A 105 ? 0.9733 0.6578 0.3669 0.0003 0.0919 -0.0081 105 GLU A CA 812 C C . GLU A 105 ? 1.0330 0.7120 0.3643 0.0027 0.0701 -0.0185 105 GLU A C 813 O O . GLU A 105 ? 1.0485 0.7391 0.3620 0.0126 0.0408 -0.0116 105 GLU A O 814 C CB . GLU A 105 ? 0.9949 0.6555 0.3708 0.0095 0.1078 0.0154 105 GLU A CB 815 C CG . GLU A 105 ? 1.0601 0.6797 0.3863 0.0087 0.1416 0.0200 105 GLU A CG 816 C CD . GLU A 105 ? 1.1000 0.6934 0.4118 0.0171 0.1603 0.0438 105 GLU A CD 817 O OE1 . GLU A 105 ? 1.1646 0.7193 0.4209 0.0195 0.1851 0.0513 105 GLU A OE1 818 O OE2 . GLU A 105 ? 1.0618 0.6706 0.4166 0.0207 0.1526 0.0543 105 GLU A OE2 819 N N . MET A 106 ? 1.0686 0.7313 0.3688 -0.0062 0.0842 -0.0361 106 MET A N 820 C CA . MET A 106 ? 1.1318 0.7900 0.3701 -0.0071 0.0641 -0.0513 106 MET A CA 821 C C . MET A 106 ? 1.2126 0.8342 0.3669 0.0027 0.0722 -0.0371 106 MET A C 822 O O . MET A 106 ? 1.2341 0.8228 0.3714 0.0030 0.1080 -0.0262 106 MET A O 823 C CB . MET A 106 ? 1.1396 0.7945 0.3802 -0.0227 0.0766 -0.0800 106 MET A CB 824 C CG . MET A 106 ? 1.0757 0.7624 0.3938 -0.0321 0.0705 -0.0937 106 MET A CG 825 S SD . MET A 106 ? 1.0513 0.7837 0.4061 -0.0290 0.0241 -0.0968 106 MET A SD 826 C CE . MET A 106 ? 1.1235 0.8586 0.4156 -0.0345 -0.0030 -0.1226 106 MET A CE 827 N N . TYR A 107 ? 1.2611 0.8892 0.3638 0.0111 0.0388 -0.0371 107 TYR A N 828 C CA . TYR A 107 ? 1.3452 0.9397 0.3619 0.0242 0.0409 -0.0193 107 TYR A CA 829 C C . TYR A 107 ? 1.4229 1.0118 0.3623 0.0210 0.0222 -0.0394 107 TYR A C 830 O O . TYR A 107 ? 1.4072 1.0245 0.3680 0.0089 0.0015 -0.0677 107 TYR A O 831 C CB . TYR A 107 ? 1.3428 0.9481 0.3636 0.0436 0.0166 0.0085 107 TYR A CB 832 C CG . TYR A 107 ? 1.2980 0.8939 0.3706 0.0477 0.0425 0.0309 107 TYR A CG 833 C CD1 . TYR A 107 ? 1.3339 0.8865 0.3797 0.0483 0.0844 0.0461 107 TYR A CD1 834 C CD2 . TYR A 107 ? 1.2259 0.8560 0.3746 0.0497 0.0265 0.0352 107 TYR A CD2 835 C CE1 . TYR A 107 ? 1.2948 0.8412 0.3917 0.0498 0.1078 0.0632 107 TYR A CE1 836 C CE2 . TYR A 107 ? 1.1885 0.8106 0.3827 0.0515 0.0496 0.0524 107 TYR A CE2 837 C CZ . TYR A 107 ? 1.2223 0.8040 0.3918 0.0511 0.0892 0.0655 107 TYR A CZ 838 O OH . TYR A 107 ? 1.1894 0.7655 0.4071 0.0508 0.1115 0.0792 107 TYR A OH 839 N N . PRO A 108 ? 1.5125 1.0632 0.3599 0.0310 0.0305 -0.0256 108 PRO A N 840 C CA . PRO A 108 ? 1.5963 1.1437 0.3608 0.0296 0.0072 -0.0438 108 PRO A CA 841 C C . PRO A 108 ? 1.5947 1.1886 0.3660 0.0391 -0.0503 -0.0462 108 PRO A C 842 O O . PRO A 108 ? 1.5463 1.1635 0.3685 0.0522 -0.0679 -0.0251 108 PRO A O 843 C CB . PRO A 108 ? 1.6911 1.1867 0.3587 0.0432 0.0289 -0.0188 108 PRO A CB 844 C CG . PRO A 108 ? 1.6527 1.1370 0.3592 0.0572 0.0460 0.0170 108 PRO A CG 845 C CD . PRO A 108 ? 1.5469 1.0542 0.3598 0.0431 0.0633 0.0061 108 PRO A CD 846 N N . GLY A 109 ? 1.6489 1.2571 0.3723 0.0318 -0.0784 -0.0734 109 GLY A N 847 C CA . GLY A 109 ? 1.6542 1.3110 0.3836 0.0397 -0.1355 -0.0798 109 GLY A CA 848 C C . GLY A 109 ? 1.5538 1.2614 0.3929 0.0302 -0.1535 -0.0953 109 GLY A C 849 O O . GLY A 109 ? 1.5302 1.2764 0.4055 0.0432 -0.1905 -0.0847 109 GLY A O 850 N N . ASN A 110 ? 1.4972 1.2028 0.3895 0.0086 -0.1249 -0.1189 110 ASN A N 851 C CA . ASN A 110 ? 1.4112 1.1597 0.4002 -0.0038 -0.1371 -0.1384 110 ASN A CA 852 C C . ASN A 110 ? 1.3348 1.1083 0.3971 0.0098 -0.1469 -0.1121 110 ASN A C 853 O O . ASN A 110 ? 1.2927 1.1106 0.4148 0.0079 -0.1759 -0.1224 110 ASN A O 854 C CB . ASN A 110 ? 1.4427 1.2300 0.4253 -0.0142 -0.1787 -0.1726 110 ASN A CB 855 C CG . ASN A 110 ? 1.3887 1.1965 0.4442 -0.0383 -0.1700 -0.2069 110 ASN A CG 856 O OD1 . ASN A 110 ? 1.3105 1.1398 0.4506 -0.0398 -0.1660 -0.2016 110 ASN A OD1 857 N ND2 . ASN A 110 ? 1.4341 1.2330 0.4547 -0.0575 -0.1657 -0.2428 110 ASN A ND2 858 N N . ALA A 111 ? 1.3198 1.0638 0.3785 0.0222 -0.1202 -0.0801 111 ALA A N 859 C CA . ALA A 111 ? 1.2534 1.0141 0.3750 0.0347 -0.1241 -0.0552 111 ALA A CA 860 C C . ALA A 111 ? 1.1848 0.9287 0.3601 0.0269 -0.0830 -0.0477 111 ALA A C 861 O O . ALA A 111 ? 1.1942 0.9090 0.3521 0.0160 -0.0494 -0.0555 111 ALA A O 862 C CB . ALA A 111 ? 1.3035 1.0489 0.3756 0.0597 -0.1360 -0.0214 111 ALA A CB 863 N N . SER A 112 ? 1.1181 0.8819 0.3592 0.0329 -0.0863 -0.0335 112 SER A N 864 C CA . SER A 112 ? 1.0504 0.8062 0.3472 0.0262 -0.0537 -0.0268 112 SER A CA 865 C C . SER A 112 ? 1.0084 0.7736 0.3475 0.0386 -0.0570 -0.0033 112 SER A C 866 O O . SER A 112 ? 1.0260 0.8048 0.3580 0.0533 -0.0840 0.0082 112 SER A O 867 C CB . SER A 112 ? 0.9956 0.7739 0.3504 0.0081 -0.0493 -0.0520 112 SER A CB 868 O OG . SER A 112 ? 0.9672 0.7855 0.3610 0.0070 -0.0818 -0.0642 112 SER A OG 869 N N . GLU A 113 ? 0.9557 0.7141 0.3392 0.0328 -0.0294 0.0029 113 GLU A N 870 C CA . GLU A 113 ? 0.9118 0.6791 0.3418 0.0403 -0.0284 0.0198 113 GLU A CA 871 C C . GLU A 113 ? 0.8435 0.6215 0.3352 0.0272 -0.0082 0.0126 113 GLU A C 872 O O . GLU A 113 ? 0.8403 0.5994 0.3297 0.0197 0.0198 0.0122 113 GLU A O 873 C CB . GLU A 113 ? 0.9513 0.6842 0.3447 0.0534 -0.0121 0.0459 113 GLU A CB 874 N N . SER A 114 ? 0.7926 0.6016 0.3390 0.0253 -0.0226 0.0074 114 SER A N 875 C CA . SER A 114 ? 0.7332 0.5556 0.3340 0.0138 -0.0082 0.0002 114 SER A CA 876 C C . SER A 114 ? 0.7027 0.5224 0.3342 0.0162 0.0055 0.0143 114 SER A C 877 O O . SER A 114 ? 0.7169 0.5291 0.3406 0.0271 0.0010 0.0286 114 SER A O 878 C CB . SER A 114 ? 0.6988 0.5539 0.3399 0.0079 -0.0273 -0.0155 114 SER A CB 879 O OG . SER A 114 ? 0.7152 0.5718 0.3414 -0.0010 -0.0303 -0.0340 114 SER A OG 880 N N . PHE A 115 ? 0.6632 0.4892 0.3302 0.0062 0.0222 0.0097 115 PHE A N 881 C CA . PHE A 115 ? 0.6360 0.4635 0.3347 0.0051 0.0350 0.0181 115 PHE A CA 882 C C . PHE A 115 ? 0.5876 0.4384 0.3324 -0.0043 0.0376 0.0093 115 PHE A C 883 O O . PHE A 115 ? 0.5793 0.4366 0.3297 -0.0103 0.0393 -0.0003 115 PHE A O 884 C CB . PHE A 115 ? 0.6594 0.4602 0.3395 0.0044 0.0603 0.0274 115 PHE A CB 885 C CG . PHE A 115 ? 0.6632 0.4586 0.3407 -0.0035 0.0775 0.0199 115 PHE A CG 886 C CD1 . PHE A 115 ? 0.7102 0.4852 0.3425 -0.0022 0.0823 0.0170 115 PHE A CD1 887 C CD2 . PHE A 115 ? 0.6286 0.4394 0.3484 -0.0116 0.0889 0.0157 115 PHE A CD2 888 C CE1 . PHE A 115 ? 0.7173 0.4853 0.3502 -0.0092 0.1014 0.0094 115 PHE A CE1 889 C CE2 . PHE A 115 ? 0.6362 0.4431 0.3593 -0.0167 0.1053 0.0103 115 PHE A CE2 890 C CZ . PHE A 115 ? 0.6806 0.4648 0.3619 -0.0156 0.1133 0.0068 115 PHE A CZ 891 N N . LEU A 116 ? 0.5618 0.4230 0.3372 -0.0051 0.0388 0.0128 116 LEU A N 892 C CA . LEU A 116 ? 0.5218 0.4026 0.3344 -0.0132 0.0432 0.0073 116 LEU A CA 893 C C . LEU A 116 ? 0.5135 0.3933 0.3434 -0.0156 0.0539 0.0124 116 LEU A C 894 O O . LEU A 116 ? 0.5132 0.3929 0.3501 -0.0124 0.0494 0.0150 116 LEU A O 895 C CB . LEU A 116 ? 0.4983 0.4001 0.3326 -0.0141 0.0281 0.0000 116 LEU A CB 896 C CG . LEU A 116 ? 0.4663 0.3851 0.3282 -0.0213 0.0321 -0.0051 116 LEU A CG 897 C CD1 . LEU A 116 ? 0.4567 0.3892 0.3327 -0.0224 0.0208 -0.0128 116 LEU A CD1 898 C CD2 . LEU A 116 ? 0.4560 0.3836 0.3385 -0.0247 0.0383 -0.0022 116 LEU A CD2 899 N N . HIS A 117 ? 0.5074 0.3871 0.3471 -0.0215 0.0689 0.0123 117 HIS A N 900 C CA . HIS A 117 ? 0.5018 0.3812 0.3592 -0.0264 0.0809 0.0140 117 HIS A CA 901 C C . HIS A 117 ? 0.4697 0.3755 0.3601 -0.0342 0.0806 0.0078 117 HIS A C 902 O O . HIS A 117 ? 0.4617 0.3778 0.3588 -0.0350 0.0811 0.0064 117 HIS A O 903 C CB . HIS A 117 ? 0.5297 0.3868 0.3720 -0.0268 0.1001 0.0193 117 HIS A CB 904 C CG . HIS A 117 ? 0.5746 0.4021 0.3817 -0.0186 0.1033 0.0287 117 HIS A CG 905 N ND1 . HIS A 117 ? 0.6094 0.4108 0.4022 -0.0187 0.1244 0.0358 117 HIS A ND1 906 C CD2 . HIS A 117 ? 0.5950 0.4153 0.3793 -0.0089 0.0882 0.0333 117 HIS A CD2 907 C CE1 . HIS A 117 ? 0.6488 0.4252 0.4058 -0.0082 0.1223 0.0465 117 HIS A CE1 908 N NE2 . HIS A 117 ? 0.6400 0.4296 0.3925 -0.0016 0.0986 0.0451 117 HIS A NE2 909 N N . VAL A 118 ? 0.4560 0.3718 0.3652 -0.0392 0.0799 0.0041 118 VAL A N 910 C CA . VAL A 118 ? 0.4302 0.3730 0.3652 -0.0462 0.0764 -0.0019 118 VAL A CA 911 C C . VAL A 118 ? 0.4317 0.3798 0.3866 -0.0552 0.0867 -0.0070 118 VAL A C 912 O O . VAL A 118 ? 0.4444 0.3779 0.3984 -0.0578 0.0937 -0.0088 118 VAL A O 913 C CB . VAL A 118 ? 0.4164 0.3719 0.3557 -0.0466 0.0643 -0.0062 118 VAL A CB 914 C CG1 . VAL A 118 ? 0.3994 0.3815 0.3547 -0.0512 0.0590 -0.0096 118 VAL A CG1 915 C CG2 . VAL A 118 ? 0.4160 0.3648 0.3408 -0.0391 0.0555 -0.0035 118 VAL A CG2 916 N N . ALA A 119 ? 0.4195 0.3893 0.3958 -0.0597 0.0878 -0.0096 119 ALA A N 917 C CA . ALA A 119 ? 0.4189 0.4021 0.4217 -0.0703 0.0950 -0.0178 119 ALA A CA 918 C C . ALA A 119 ? 0.4018 0.4196 0.4228 -0.0760 0.0808 -0.0259 119 ALA A C 919 O O . ALA A 119 ? 0.3889 0.4236 0.4086 -0.0702 0.0693 -0.0212 119 ALA A O 920 C CB . ALA A 119 ? 0.4258 0.4088 0.4437 -0.0713 0.1091 -0.0155 119 ALA A CB 921 N N . PHE A 120 ? 0.4058 0.4319 0.4416 -0.0875 0.0829 -0.0381 120 PHE A N 922 C CA . PHE A 120 ? 0.3986 0.4574 0.4466 -0.0948 0.0690 -0.0485 120 PHE A CA 923 C C . PHE A 120 ? 0.4036 0.4859 0.4861 -0.1070 0.0726 -0.0605 120 PHE A C 924 O O . PHE A 120 ? 0.4173 0.4841 0.5121 -0.1165 0.0886 -0.0687 120 PHE A O 925 C CB . PHE A 120 ? 0.4036 0.4521 0.4368 -0.0997 0.0675 -0.0571 120 PHE A CB 926 C CG . PHE A 120 ? 0.4028 0.4807 0.4375 -0.1073 0.0537 -0.0687 120 PHE A CG 927 C CD1 . PHE A 120 ? 0.3941 0.4899 0.4153 -0.0994 0.0387 -0.0608 120 PHE A CD1 928 C CD2 . PHE A 120 ? 0.4066 0.4917 0.4531 -0.1226 0.0572 -0.0877 120 PHE A CD2 929 C CE1 . PHE A 120 ? 0.3952 0.5162 0.4099 -0.1054 0.0261 -0.0698 120 PHE A CE1 930 C CE2 . PHE A 120 ? 0.4089 0.5210 0.4502 -0.1304 0.0435 -0.1001 120 PHE A CE2 931 C CZ . PHE A 120 ? 0.4052 0.5356 0.4281 -0.1211 0.0273 -0.0902 120 PHE A CZ 932 N N . GLN A 121 ? 0.3944 0.5143 0.4948 -0.1061 0.0582 -0.0609 121 GLN A N 933 C CA . GLN A 121 ? 0.3979 0.5497 0.5391 -0.1165 0.0578 -0.0724 121 GLN A CA 934 C C . GLN A 121 ? 0.4033 0.5355 0.5657 -0.1192 0.0816 -0.0711 121 GLN A C 935 O O . GLN A 121 ? 0.4130 0.5495 0.6038 -0.1335 0.0932 -0.0854 121 GLN A O 936 C CB . GLN A 121 ? 0.4090 0.5790 0.5599 -0.1338 0.0517 -0.0945 121 GLN A CB 937 C CG . GLN A 121 ? 0.4147 0.5913 0.5337 -0.1332 0.0350 -0.0979 121 GLN A CG 938 C CD . GLN A 121 ? 0.4157 0.6308 0.5311 -0.1247 0.0107 -0.0908 121 GLN A CD 939 O OE1 . GLN A 121 ? 0.4084 0.6267 0.5245 -0.1096 0.0071 -0.0723 121 GLN A OE1 940 N NE2 . GLN A 121 ? 0.4251 0.6673 0.5337 -0.1340 -0.0052 -0.1053 121 GLN A NE2 941 N N . GLY A 122 ? 0.4014 0.5098 0.5481 -0.1062 0.0906 -0.0547 122 GLY A N 942 C CA . GLY A 122 ? 0.4108 0.4969 0.5690 -0.1066 0.1149 -0.0510 122 GLY A CA 943 C C . GLY A 122 ? 0.4306 0.4715 0.5661 -0.1103 0.1355 -0.0505 122 GLY A C 944 O O . GLY A 122 ? 0.4473 0.4649 0.5861 -0.1108 0.1583 -0.0465 122 GLY A O 945 N N . LYS A 123 ? 0.4320 0.4590 0.5443 -0.1119 0.1292 -0.0536 123 LYS A N 946 C CA . LYS A 123 ? 0.4538 0.4381 0.5462 -0.1129 0.1476 -0.0511 123 LYS A CA 947 C C . LYS A 123 ? 0.4534 0.4131 0.5037 -0.0994 0.1391 -0.0390 123 LYS A C 948 O O . LYS A 123 ? 0.4381 0.4122 0.4801 -0.0971 0.1212 -0.0415 123 LYS A O 949 C CB . LYS A 123 ? 0.4634 0.4496 0.5771 -0.1289 0.1548 -0.0685 123 LYS A CB 950 N N . TYR A 124 ? 0.4738 0.3971 0.4979 -0.0905 0.1526 -0.0261 124 TYR A N 951 C CA . TYR A 124 ? 0.4794 0.3803 0.4662 -0.0772 0.1443 -0.0147 124 TYR A CA 952 C C . TYR A 124 ? 0.4832 0.3778 0.4696 -0.0790 0.1404 -0.0198 124 TYR A C 953 O O . TYR A 124 ? 0.5022 0.3800 0.4995 -0.0861 0.1567 -0.0246 124 TYR A O 954 C CB . TYR A 124 ? 0.5108 0.3736 0.4691 -0.0689 0.1612 -0.0011 124 TYR A CB 955 C CG . TYR A 124 ? 0.5203 0.3598 0.4387 -0.0542 0.1520 0.0111 124 TYR A CG 956 C CD1 . TYR A 124 ? 0.4963 0.3528 0.4057 -0.0476 0.1293 0.0109 124 TYR A CD1 957 C CD2 . TYR A 124 ? 0.5533 0.3543 0.4434 -0.0464 0.1665 0.0236 124 TYR A CD2 958 C CE1 . TYR A 124 ? 0.5072 0.3476 0.3860 -0.0350 0.1192 0.0201 124 TYR A CE1 959 C CE2 . TYR A 124 ? 0.5679 0.3522 0.4222 -0.0317 0.1546 0.0352 124 TYR A CE2 960 C CZ . TYR A 124 ? 0.5464 0.3528 0.3978 -0.0266 0.1300 0.0321 124 TYR A CZ 961 O OH . TYR A 124 ? 0.5680 0.3631 0.3898 -0.0129 0.1164 0.0414 124 TYR A OH 962 N N . VAL A 125 ? 0.4665 0.3732 0.4432 -0.0732 0.1218 -0.0198 125 VAL A N 963 C CA . VAL A 125 ? 0.4698 0.3728 0.4490 -0.0747 0.1192 -0.0261 125 VAL A CA 964 C C . VAL A 125 ? 0.4732 0.3643 0.4318 -0.0607 0.1090 -0.0166 125 VAL A C 965 O O . VAL A 125 ? 0.4882 0.3626 0.4471 -0.0573 0.1138 -0.0162 125 VAL A O 966 C CB . VAL A 125 ? 0.4494 0.3850 0.4467 -0.0859 0.1087 -0.0418 125 VAL A CB 967 C CG1 . VAL A 125 ? 0.4513 0.4003 0.4750 -0.1019 0.1180 -0.0560 125 VAL A CG1 968 C CG2 . VAL A 125 ? 0.4253 0.3865 0.4166 -0.0811 0.0909 -0.0383 125 VAL A CG2 969 N N . VAL A 126 ? 0.4628 0.3632 0.4075 -0.0529 0.0956 -0.0101 126 VAL A N 970 C CA . VAL A 126 ? 0.4621 0.3608 0.3950 -0.0422 0.0827 -0.0052 126 VAL A CA 971 C C . VAL A 126 ? 0.4700 0.3605 0.3797 -0.0322 0.0761 0.0048 126 VAL A C 972 O O . VAL A 126 ? 0.4653 0.3613 0.3704 -0.0345 0.0772 0.0053 126 VAL A O 973 C CB . VAL A 126 ? 0.4383 0.3632 0.3824 -0.0463 0.0711 -0.0136 126 VAL A CB 974 C CG1 . VAL A 126 ? 0.4356 0.3620 0.3731 -0.0367 0.0590 -0.0098 126 VAL A CG1 975 C CG2 . VAL A 126 ? 0.4374 0.3678 0.3971 -0.0554 0.0767 -0.0252 126 VAL A CG2 976 N N . ARG A 127 ? 0.4850 0.3633 0.3812 -0.0208 0.0689 0.0119 127 ARG A N 977 C CA . ARG A 127 ? 0.4980 0.3723 0.3702 -0.0121 0.0583 0.0179 127 ARG A CA 978 C C . ARG A 127 ? 0.4905 0.3783 0.3691 -0.0056 0.0408 0.0156 127 ARG A C 979 O O . ARG A 127 ? 0.4842 0.3774 0.3827 -0.0046 0.0398 0.0129 127 ARG A O 980 C CB . ARG A 127 ? 0.5375 0.3826 0.3804 -0.0031 0.0655 0.0305 127 ARG A CB 981 C CG . ARG A 127 ? 0.5604 0.3916 0.3997 0.0091 0.0617 0.0395 127 ARG A CG 982 C CD . ARG A 127 ? 0.6081 0.4082 0.4110 0.0201 0.0683 0.0552 127 ARG A CD 983 N NE . ARG A 127 ? 0.6392 0.4259 0.4402 0.0349 0.0641 0.0670 127 ARG A NE 984 C CZ . ARG A 127 ? 0.6904 0.4490 0.4572 0.0494 0.0667 0.0847 127 ARG A CZ 985 N NH1 . ARG A 127 ? 0.7231 0.4626 0.4514 0.0494 0.0750 0.0912 127 ARG A NH1 986 N NH2 . ARG A 127 ? 0.7134 0.4619 0.4838 0.0649 0.0620 0.0969 127 ARG A NH2 987 N N . PHE A 128 ? 0.4936 0.3873 0.3584 -0.0023 0.0288 0.0147 128 PHE A N 988 C CA . PHE A 128 ? 0.4923 0.3987 0.3642 0.0042 0.0115 0.0120 128 PHE A CA 989 C C . PHE A 128 ? 0.5312 0.4230 0.3751 0.0173 0.0023 0.0219 128 PHE A C 990 O O . PHE A 128 ? 0.5538 0.4319 0.3653 0.0185 0.0039 0.0256 128 PHE A O 991 C CB . PHE A 128 ? 0.4731 0.3971 0.3515 -0.0020 0.0039 0.0018 128 PHE A CB 992 C CG . PHE A 128 ? 0.4591 0.4012 0.3575 0.0009 -0.0109 -0.0047 128 PHE A CG 993 C CD1 . PHE A 128 ? 0.4267 0.3833 0.3568 -0.0035 -0.0077 -0.0107 128 PHE A CD1 994 C CD2 . PHE A 128 ? 0.4754 0.4212 0.3615 0.0079 -0.0278 -0.0059 128 PHE A CD2 995 C CE1 . PHE A 128 ? 0.4200 0.3939 0.3746 -0.0014 -0.0184 -0.0175 128 PHE A CE1 996 C CE2 . PHE A 128 ? 0.4671 0.4344 0.3796 0.0100 -0.0423 -0.0138 128 PHE A CE2 997 C CZ . PHE A 128 ? 0.4396 0.4207 0.3891 0.0052 -0.0362 -0.0195 128 PHE A CZ 998 N N . TRP A 129 ? 0.5452 0.4393 0.4005 0.0281 -0.0066 0.0270 129 TRP A N 999 C CA . TRP A 129 ? 0.5909 0.4708 0.4188 0.0440 -0.0166 0.0404 129 TRP A CA 1000 C C . TRP A 129 ? 0.5934 0.4950 0.4414 0.0551 -0.0392 0.0393 129 TRP A C 1001 O O . TRP A 129 ? 0.5836 0.4911 0.4642 0.0601 -0.0375 0.0408 129 TRP A O 1002 C CB . TRP A 129 ? 0.6159 0.4664 0.4353 0.0503 0.0014 0.0549 129 TRP A CB 1003 C CG . TRP A 129 ? 0.6749 0.5020 0.4550 0.0672 -0.0033 0.0731 129 TRP A CG 1004 C CD1 . TRP A 129 ? 0.7086 0.5241 0.4901 0.0849 -0.0069 0.0885 129 TRP A CD1 1005 C CD2 . TRP A 129 ? 0.7171 0.5271 0.4475 0.0695 -0.0037 0.0791 129 TRP A CD2 1006 N NE1 . TRP A 129 ? 0.7663 0.5588 0.4991 0.0990 -0.0111 0.1057 129 TRP A NE1 1007 C CE2 . TRP A 129 ? 0.7738 0.5620 0.4724 0.0890 -0.0088 0.0994 129 TRP A CE2 1008 C CE3 . TRP A 129 ? 0.7199 0.5292 0.4287 0.0576 0.0012 0.0698 129 TRP A CE3 1009 C CZ2 . TRP A 129 ? 0.8340 0.5991 0.4742 0.0962 -0.0093 0.1103 129 TRP A CZ2 1010 C CZ3 . TRP A 129 ? 0.7731 0.5596 0.4281 0.0637 0.0024 0.0785 129 TRP A CZ3 1011 C CH2 . TRP A 129 ? 0.8320 0.5964 0.4504 0.0825 -0.0030 0.0984 129 TRP A CH2 1012 N N . GLY A 130 ? 0.6091 0.5237 0.4399 0.0582 -0.0597 0.0349 130 GLY A N 1013 C CA . GLY A 130 ? 0.6139 0.5553 0.4674 0.0679 -0.0845 0.0315 130 GLY A CA 1014 C C . GLY A 130 ? 0.5711 0.5419 0.4718 0.0556 -0.0864 0.0130 130 GLY A C 1015 O O . GLY A 130 ? 0.5606 0.5437 0.4597 0.0444 -0.0917 -0.0011 130 GLY A O 1016 N N . THR A 131 ? 0.5499 0.5285 0.4917 0.0574 -0.0791 0.0129 131 THR A N 1017 C CA . THR A 131 ? 0.5171 0.5213 0.5039 0.0471 -0.0782 -0.0031 131 THR A CA 1018 C C . THR A 131 ? 0.4882 0.4840 0.4919 0.0359 -0.0534 -0.0066 131 THR A C 1019 O O . THR A 131 ? 0.4682 0.4805 0.5054 0.0279 -0.0484 -0.0179 131 THR A O 1020 C CB . THR A 131 ? 0.5206 0.5509 0.5499 0.0590 -0.0946 -0.0047 131 THR A CB 1021 O OG1 . THR A 131 ? 0.5330 0.5498 0.5718 0.0731 -0.0871 0.0095 131 THR A OG1 1022 C CG2 . THR A 131 ? 0.5469 0.5955 0.5642 0.0683 -0.1246 -0.0056 131 THR A CG2 1023 N N . SER A 132 ? 0.4926 0.4634 0.4733 0.0347 -0.0375 0.0021 132 SER A N 1024 C CA . SER A 132 ? 0.4707 0.4356 0.4643 0.0238 -0.0166 -0.0025 132 SER A CA 1025 C C . SER A 132 ? 0.4719 0.4161 0.4372 0.0167 -0.0024 0.0018 132 SER A C 1026 O O . SER A 132 ? 0.4923 0.4197 0.4292 0.0225 -0.0036 0.0117 132 SER A O 1027 C CB . SER A 132 ? 0.4739 0.4365 0.4962 0.0308 -0.0087 -0.0008 132 SER A CB 1028 O OG . SER A 132 ? 0.5040 0.4445 0.5116 0.0430 -0.0061 0.0132 132 SER A OG 1029 N N . TRP A 133 ? 0.4516 0.3983 0.4253 0.0042 0.0111 -0.0056 133 TRP A N 1030 C CA . TRP A 133 ? 0.4521 0.3855 0.4105 -0.0036 0.0246 -0.0042 133 TRP A CA 1031 C C . TRP A 133 ? 0.4712 0.3861 0.4339 0.0003 0.0363 0.0001 133 TRP A C 1032 O O . TRP A 133 ? 0.4752 0.3909 0.4595 0.0046 0.0391 -0.0021 133 TRP A O 1033 C CB . TRP A 133 ? 0.4296 0.3756 0.3965 -0.0168 0.0321 -0.0139 133 TRP A CB 1034 C CG . TRP A 133 ? 0.4153 0.3757 0.3816 -0.0203 0.0250 -0.0172 133 TRP A CG 1035 C CD1 . TRP A 133 ? 0.4082 0.3820 0.3919 -0.0213 0.0218 -0.0232 133 TRP A CD1 1036 C CD2 . TRP A 133 ? 0.4093 0.3696 0.3595 -0.0234 0.0238 -0.0149 133 TRP A CD2 1037 N NE1 . TRP A 133 ? 0.4023 0.3824 0.3807 -0.0253 0.0190 -0.0246 133 TRP A NE1 1038 C CE2 . TRP A 133 ? 0.4012 0.3731 0.3591 -0.0260 0.0199 -0.0194 133 TRP A CE2 1039 C CE3 . TRP A 133 ? 0.4161 0.3662 0.3490 -0.0243 0.0283 -0.0098 133 TRP A CE3 1040 C CZ2 . TRP A 133 ? 0.4017 0.3738 0.3500 -0.0287 0.0203 -0.0186 133 TRP A CZ2 1041 C CZ3 . TRP A 133 ? 0.4166 0.3693 0.3411 -0.0267 0.0282 -0.0093 133 TRP A CZ3 1042 C CH2 . TRP A 133 ? 0.4116 0.3744 0.3433 -0.0284 0.0241 -0.0135 133 TRP A CH2 1043 N N . GLN A 134 ? 0.4845 0.3811 0.4297 -0.0013 0.0458 0.0060 134 GLN A N 1044 C CA . GLN A 134 ? 0.5039 0.3788 0.4541 -0.0001 0.0615 0.0091 134 GLN A CA 1045 C C . GLN A 134 ? 0.5059 0.3711 0.4485 -0.0121 0.0762 0.0062 134 GLN A C 1046 O O . GLN A 134 ? 0.5021 0.3717 0.4300 -0.0158 0.0735 0.0078 134 GLN A O 1047 C CB . GLN A 134 ? 0.5372 0.3919 0.4769 0.0179 0.0583 0.0251 134 GLN A CB 1048 C CG . GLN A 134 ? 0.5672 0.4108 0.4723 0.0249 0.0517 0.0373 134 GLN A CG 1049 C CD . GLN A 134 ? 0.6274 0.4433 0.5151 0.0425 0.0541 0.0560 134 GLN A CD 1050 O OE1 . GLN A 134 ? 0.6568 0.4492 0.5146 0.0451 0.0630 0.0667 134 GLN A OE1 1051 N NE2 . GLN A 134 ? 0.6349 0.4525 0.5420 0.0558 0.0479 0.0610 134 GLN A NE2 1052 N N . THR A 135 ? 0.5130 0.3660 0.4695 -0.0190 0.0929 0.0001 135 THR A N 1053 C CA . THR A 135 ? 0.5152 0.3613 0.4727 -0.0322 0.1079 -0.0054 135 THR A CA 1054 C C . THR A 135 ? 0.5474 0.3607 0.4908 -0.0250 0.1219 0.0085 135 THR A C 1055 O O . THR A 135 ? 0.5721 0.3634 0.5100 -0.0107 0.1246 0.0208 135 THR A O 1056 C CB . THR A 135 ? 0.5127 0.3619 0.4921 -0.0465 0.1204 -0.0227 135 THR A CB 1057 O OG1 . THR A 135 ? 0.5373 0.3635 0.5267 -0.0390 0.1316 -0.0203 135 THR A OG1 1058 C CG2 . THR A 135 ? 0.4838 0.3634 0.4692 -0.0544 0.1085 -0.0357 135 THR A CG2 1059 N N . VAL A 136 ? 0.5497 0.3598 0.4884 -0.0339 0.1317 0.0075 136 VAL A N 1060 C CA . VAL A 136 ? 0.5871 0.3634 0.5101 -0.0288 0.1496 0.0208 136 VAL A CA 1061 C C . VAL A 136 ? 0.6064 0.3632 0.5514 -0.0407 0.1756 0.0128 136 VAL A C 1062 O O . VAL A 136 ? 0.5863 0.3621 0.5576 -0.0564 0.1775 -0.0066 136 VAL A O 1063 C CB . VAL A 136 ? 0.5870 0.3663 0.4918 -0.0306 0.1497 0.0255 136 VAL A CB 1064 C CG1 . VAL A 136 ? 0.5740 0.3677 0.4562 -0.0197 0.1266 0.0316 136 VAL A CG1 1065 C CG2 . VAL A 136 ? 0.5602 0.3646 0.4908 -0.0491 0.1545 0.0091 136 VAL A CG2 1066 N N . PRO A 137 ? 0.6497 0.3668 0.5822 -0.0337 0.1966 0.0272 137 PRO A N 1067 C CA . PRO A 137 ? 0.6722 0.3665 0.6285 -0.0463 0.2254 0.0186 137 PRO A CA 1068 C C . PRO A 137 ? 0.6526 0.3702 0.6354 -0.0700 0.2331 -0.0024 137 PRO A C 1069 O O . PRO A 137 ? 0.6436 0.3719 0.6191 -0.0726 0.2313 0.0002 137 PRO A O 1070 C CB . PRO A 137 ? 0.7232 0.3706 0.6535 -0.0330 0.2463 0.0421 137 PRO A CB 1071 C CG . PRO A 137 ? 0.7306 0.3754 0.6262 -0.0090 0.2239 0.0627 137 PRO A CG 1072 C CD . PRO A 137 ? 0.6842 0.3734 0.5786 -0.0133 0.1955 0.0521 137 PRO A CD 1073 N N . GLY A 138 ? 0.6462 0.3734 0.6607 -0.0869 0.2409 -0.0242 138 GLY A N 1074 C CA . GLY A 138 ? 0.6278 0.3845 0.6721 -0.1101 0.2438 -0.0474 138 GLY A CA 1075 C C . GLY A 138 ? 0.5894 0.3919 0.6442 -0.1190 0.2187 -0.0659 138 GLY A C 1076 O O . GLY A 138 ? 0.5846 0.4105 0.6659 -0.1388 0.2202 -0.0890 138 GLY A O 1077 N N . ALA A 139 ? 0.5657 0.3808 0.5990 -0.1046 0.1959 -0.0560 139 ALA A N 1078 C CA . ALA A 139 ? 0.5322 0.3863 0.5682 -0.1100 0.1733 -0.0689 139 ALA A CA 1079 C C . ALA A 139 ? 0.5385 0.3958 0.5896 -0.1230 0.1788 -0.0903 139 ALA A C 1080 O O . ALA A 139 ? 0.5616 0.3878 0.6159 -0.1199 0.1954 -0.0897 139 ALA A O 1081 C CB . ALA A 139 ? 0.5157 0.3749 0.5282 -0.0921 0.1538 -0.0537 139 ALA A CB 1082 N N . PRO A 140 ? 0.5229 0.4169 0.5815 -0.1369 0.1653 -0.1089 140 PRO A N 1083 C CA . PRO A 140 ? 0.5327 0.4315 0.5989 -0.1508 0.1693 -0.1320 140 PRO A CA 1084 C C . PRO A 140 ? 0.5292 0.4174 0.5797 -0.1386 0.1656 -0.1265 140 PRO A C 1085 O O . PRO A 140 ? 0.5095 0.4054 0.5442 -0.1234 0.1503 -0.1099 140 PRO A O 1086 C CB . PRO A 140 ? 0.5173 0.4620 0.5861 -0.1639 0.1498 -0.1474 140 PRO A CB 1087 C CG . PRO A 140 ? 0.4928 0.4548 0.5496 -0.1497 0.1318 -0.1270 140 PRO A CG 1088 C CD . PRO A 140 ? 0.4992 0.4315 0.5575 -0.1392 0.1456 -0.1087 140 PRO A CD 1089 N N . SER A 141 ? 0.5495 0.4205 0.6081 -0.1463 0.1814 -0.1423 141 SER A N 1090 C CA . SER A 141 ? 0.5515 0.4060 0.6043 -0.1341 0.1852 -0.1374 141 SER A CA 1091 C C . SER A 141 ? 0.5327 0.4144 0.5694 -0.1333 0.1678 -0.1420 141 SER A C 1092 O O . SER A 141 ? 0.5286 0.4019 0.5626 -0.1204 0.1679 -0.1338 141 SER A O 1093 C CB . SER A 141 ? 0.5849 0.4097 0.6543 -0.1431 0.2119 -0.1542 141 SER A CB 1094 O OG . SER A 141 ? 0.6071 0.4005 0.6910 -0.1418 0.2318 -0.1468 141 SER A OG 1095 N N . TRP A 142 ? 0.5237 0.4379 0.5511 -0.1464 0.1536 -0.1543 142 TRP A N 1096 C CA . TRP A 142 ? 0.5125 0.4496 0.5198 -0.1459 0.1394 -0.1573 142 TRP A CA 1097 C C . TRP A 142 ? 0.4879 0.4332 0.4852 -0.1278 0.1239 -0.1333 142 TRP A C 1098 O O . TRP A 142 ? 0.4818 0.4365 0.4655 -0.1238 0.1176 -0.1317 142 TRP A O 1099 C CB . TRP A 142 ? 0.5164 0.4861 0.5134 -0.1631 0.1271 -0.1753 142 TRP A CB 1100 C CG . TRP A 142 ? 0.4919 0.4850 0.4957 -0.1636 0.1123 -0.1673 142 TRP A CG 1101 C CD1 . TRP A 142 ? 0.4937 0.4925 0.5189 -0.1761 0.1168 -0.1781 142 TRP A CD1 1102 C CD2 . TRP A 142 ? 0.4650 0.4785 0.4587 -0.1513 0.0935 -0.1478 142 TRP A CD2 1103 N NE1 . TRP A 142 ? 0.4739 0.4971 0.5043 -0.1715 0.1015 -0.1660 142 TRP A NE1 1104 C CE2 . TRP A 142 ? 0.4551 0.4864 0.4654 -0.1559 0.0873 -0.1471 142 TRP A CE2 1105 C CE3 . TRP A 142 ? 0.4495 0.4665 0.4249 -0.1373 0.0837 -0.1317 142 TRP A CE3 1106 C CZ2 . TRP A 142 ? 0.4350 0.4864 0.4435 -0.1457 0.0719 -0.1303 142 TRP A CZ2 1107 C CZ3 . TRP A 142 ? 0.4298 0.4651 0.4020 -0.1284 0.0687 -0.1155 142 TRP A CZ3 1108 C CH2 . TRP A 142 ? 0.4247 0.4764 0.4128 -0.1320 0.0630 -0.1146 142 TRP A CH2 1109 N N . LEU A 143 ? 0.4782 0.4177 0.4816 -0.1181 0.1202 -0.1161 143 LEU A N 1110 C CA . LEU A 143 ? 0.4599 0.4044 0.4547 -0.1022 0.1069 -0.0957 143 LEU A CA 1111 C C . LEU A 143 ? 0.4641 0.3930 0.4617 -0.0886 0.1101 -0.0874 143 LEU A C 1112 O O . LEU A 143 ? 0.4507 0.3879 0.4427 -0.0785 0.0988 -0.0760 143 LEU A O 1113 C CB . LEU A 143 ? 0.4536 0.3921 0.4510 -0.0963 0.1051 -0.0819 143 LEU A CB 1114 C CG . LEU A 143 ? 0.4433 0.4055 0.4409 -0.1032 0.0960 -0.0827 143 LEU A CG 1115 C CD1 . LEU A 143 ? 0.4369 0.3850 0.4393 -0.0987 0.1024 -0.0715 143 LEU A CD1 1116 C CD2 . LEU A 143 ? 0.4257 0.4103 0.4108 -0.0972 0.0793 -0.0751 143 LEU A CD2 1117 N N . ASP A 144 ? 0.4856 0.3927 0.4957 -0.0886 0.1262 -0.0939 144 ASP A N 1118 C CA . ASP A 144 ? 0.4917 0.3864 0.5122 -0.0747 0.1298 -0.0866 144 ASP A CA 1119 C C . ASP A 144 ? 0.4812 0.3934 0.4981 -0.0746 0.1240 -0.0909 144 ASP A C 1120 O O . ASP A 144 ? 0.4745 0.3875 0.5013 -0.0619 0.1195 -0.0815 144 ASP A O 1121 C CB . ASP A 144 ? 0.5198 0.3879 0.5577 -0.0753 0.1513 -0.0946 144 ASP A CB 1122 C CG . ASP A 144 ? 0.5442 0.3867 0.5878 -0.0692 0.1602 -0.0835 144 ASP A CG 1123 O OD1 . ASP A 144 ? 0.5464 0.3890 0.5806 -0.0582 0.1486 -0.0653 144 ASP A OD1 1124 O OD2 . ASP A 144 ? 0.5710 0.3905 0.6269 -0.0757 0.1811 -0.0934 144 ASP A OD2 1125 N N . LEU A 145 ? 0.4845 0.4110 0.4870 -0.0889 0.1243 -0.1051 145 LEU A N 1126 C CA . LEU A 145 ? 0.4818 0.4211 0.4752 -0.0899 0.1227 -0.1087 145 LEU A CA 1127 C C . LEU A 145 ? 0.4610 0.4178 0.4442 -0.0834 0.1058 -0.0944 145 LEU A C 1128 O O . LEU A 145 ? 0.4533 0.4120 0.4445 -0.0753 0.1049 -0.0884 145 LEU A O 1129 C CB . LEU A 145 ? 0.5023 0.4471 0.4774 -0.1064 0.1305 -0.1286 145 LEU A CB 1130 C CG . LEU A 145 ? 0.5124 0.4644 0.4706 -0.1093 0.1346 -0.1339 145 LEU A CG 1131 C CD1 . LEU A 145 ? 0.5130 0.4530 0.4930 -0.0995 0.1475 -0.1314 145 LEU A CD1 1132 C CD2 . LEU A 145 ? 0.5424 0.4961 0.4772 -0.1263 0.1430 -0.1558 145 LEU A CD2 1133 N N . PRO A 146 ? 0.4547 0.4246 0.4246 -0.0871 0.0940 -0.0900 146 PRO A N 1134 C CA . PRO A 146 ? 0.4370 0.4184 0.4010 -0.0794 0.0809 -0.0757 146 PRO A CA 1135 C C . PRO A 146 ? 0.4261 0.3988 0.4049 -0.0664 0.0772 -0.0641 146 PRO A C 1136 O O . PRO A 146 ? 0.4196 0.3978 0.4014 -0.0612 0.0735 -0.0592 146 PRO A O 1137 C CB . PRO A 146 ? 0.4311 0.4230 0.3883 -0.0835 0.0722 -0.0728 146 PRO A CB 1138 C CG . PRO A 146 ? 0.4476 0.4445 0.4000 -0.0968 0.0771 -0.0888 146 PRO A CG 1139 C CD . PRO A 146 ? 0.4627 0.4400 0.4251 -0.0992 0.0927 -0.0997 146 PRO A CD 1140 N N . ILE A 147 ? 0.4312 0.3903 0.4184 -0.0616 0.0787 -0.0603 147 ILE A N 1141 C CA . ILE A 147 ? 0.4302 0.3817 0.4263 -0.0481 0.0725 -0.0490 147 ILE A CA 1142 C C . ILE A 147 ? 0.4329 0.3848 0.4484 -0.0415 0.0752 -0.0512 147 ILE A C 1143 O O . ILE A 147 ? 0.4260 0.3848 0.4497 -0.0331 0.0654 -0.0451 147 ILE A O 1144 C CB . ILE A 147 ? 0.4441 0.3765 0.4401 -0.0431 0.0763 -0.0426 147 ILE A CB 1145 C CG1 . ILE A 147 ? 0.4398 0.3733 0.4203 -0.0433 0.0696 -0.0345 147 ILE A CG1 1146 C CG2 . ILE A 147 ? 0.4559 0.3776 0.4630 -0.0279 0.0732 -0.0333 147 ILE A CG2 1147 C CD1 . ILE A 147 ? 0.4325 0.3795 0.4070 -0.0559 0.0706 -0.0414 147 ILE A CD1 1148 N N . LYS A 148 ? 0.4464 0.3921 0.4715 -0.0462 0.0894 -0.0619 148 LYS A N 1149 C CA . LYS A 148 ? 0.4501 0.3967 0.4985 -0.0411 0.0964 -0.0661 148 LYS A CA 1150 C C . LYS A 148 ? 0.4372 0.4002 0.4856 -0.0439 0.0931 -0.0677 148 LYS A C 1151 O O . LYS A 148 ? 0.4332 0.4035 0.5054 -0.0365 0.0905 -0.0660 148 LYS A O 1152 C CB . LYS A 148 ? 0.4700 0.4047 0.5235 -0.0489 0.1163 -0.0802 148 LYS A CB 1153 C CG . LYS A 148 ? 0.4886 0.4178 0.5740 -0.0405 0.1279 -0.0834 148 LYS A CG 1154 C CD . LYS A 148 ? 0.5210 0.4421 0.6046 -0.0524 0.1500 -0.1013 148 LYS A CD 1155 C CE . LYS A 148 ? 0.5410 0.4543 0.6619 -0.0434 0.1657 -0.1053 148 LYS A CE 1156 N NZ . LYS A 148 ? 0.5669 0.4600 0.7059 -0.0336 0.1720 -0.1006 148 LYS A NZ 1157 N N . VAL A 149 ? 0.4346 0.4036 0.4581 -0.0543 0.0936 -0.0707 149 VAL A N 1158 C CA . VAL A 149 ? 0.4288 0.4080 0.4468 -0.0575 0.0946 -0.0705 149 VAL A CA 1159 C C . VAL A 149 ? 0.4144 0.4016 0.4353 -0.0516 0.0805 -0.0601 149 VAL A C 1160 O O . VAL A 149 ? 0.4109 0.4043 0.4454 -0.0504 0.0820 -0.0600 149 VAL A O 1161 C CB . VAL A 149 ? 0.4394 0.4215 0.4257 -0.0683 0.0989 -0.0745 149 VAL A CB 1162 C CG1 . VAL A 149 ? 0.4360 0.4249 0.4112 -0.0690 0.0992 -0.0685 149 VAL A CG1 1163 C CG2 . VAL A 149 ? 0.4592 0.4334 0.4405 -0.0763 0.1152 -0.0889 149 VAL A CG2 1164 N N . LEU A 150 ? 0.4084 0.3944 0.4178 -0.0490 0.0691 -0.0530 150 LEU A N 1165 C CA . LEU A 150 ? 0.3975 0.3879 0.4063 -0.0440 0.0570 -0.0451 150 LEU A CA 1166 C C . LEU A 150 ? 0.3950 0.3875 0.4271 -0.0351 0.0496 -0.0446 150 LEU A C 1167 O O . LEU A 150 ? 0.3919 0.3925 0.4336 -0.0340 0.0438 -0.0448 150 LEU A O 1168 C CB . LEU A 150 ? 0.3965 0.3831 0.3869 -0.0437 0.0501 -0.0386 150 LEU A CB 1169 C CG . LEU A 150 ? 0.3999 0.3919 0.3723 -0.0510 0.0523 -0.0379 150 LEU A CG 1170 C CD1 . LEU A 150 ? 0.4083 0.3971 0.3727 -0.0513 0.0489 -0.0344 150 LEU A CD1 1171 C CD2 . LEU A 150 ? 0.3944 0.3932 0.3612 -0.0510 0.0510 -0.0328 150 LEU A CD2 1172 N N . ASN A 151 ? 0.4023 0.3881 0.4450 -0.0287 0.0500 -0.0443 151 ASN A N 1173 C CA . ASN A 151 ? 0.4053 0.3962 0.4720 -0.0175 0.0405 -0.0423 151 ASN A CA 1174 C C . ASN A 151 ? 0.4016 0.4059 0.5016 -0.0179 0.0455 -0.0506 151 ASN A C 1175 O O . ASN A 151 ? 0.4037 0.4209 0.5288 -0.0103 0.0341 -0.0509 151 ASN A O 1176 C CB . ASN A 151 ? 0.4197 0.3971 0.4899 -0.0080 0.0418 -0.0369 151 ASN A CB 1177 C CG . ASN A 151 ? 0.4303 0.3952 0.4736 -0.0035 0.0337 -0.0264 151 ASN A CG 1178 O OD1 . ASN A 151 ? 0.4355 0.4050 0.4626 -0.0037 0.0226 -0.0230 151 ASN A OD1 1179 N ND2 . ASN A 151 ? 0.4466 0.3931 0.4852 0.0000 0.0423 -0.0218 151 ASN A ND2 1180 N N . ALA A 152 ? 0.4006 0.4030 0.5007 -0.0272 0.0627 -0.0578 152 ALA A N 1181 C CA . ALA A 152 ? 0.3996 0.4117 0.5294 -0.0299 0.0734 -0.0661 152 ALA A CA 1182 C C . ALA A 152 ? 0.3911 0.4148 0.5270 -0.0338 0.0677 -0.0670 152 ALA A C 1183 O O . ALA A 152 ? 0.3889 0.4247 0.5595 -0.0342 0.0716 -0.0739 152 ALA A O 1184 C CB . ALA A 152 ? 0.4099 0.4127 0.5273 -0.0395 0.0952 -0.0729 152 ALA A CB 1185 N N . ASP A 153 ? 0.3882 0.4076 0.4939 -0.0370 0.0603 -0.0610 153 ASP A N 1186 C CA . ASP A 153 ? 0.3854 0.4102 0.4927 -0.0416 0.0579 -0.0618 153 ASP A CA 1187 C C . ASP A 153 ? 0.3835 0.4197 0.5069 -0.0360 0.0385 -0.0638 153 ASP A C 1188 O O . ASP A 153 ? 0.3861 0.4178 0.4860 -0.0334 0.0262 -0.0585 153 ASP A O 1189 C CB . ASP A 153 ? 0.3862 0.4007 0.4563 -0.0459 0.0598 -0.0541 153 ASP A CB 1190 C CG . ASP A 153 ? 0.3935 0.4081 0.4651 -0.0506 0.0633 -0.0540 153 ASP A CG 1191 O OD1 . ASP A 153 ? 0.3898 0.4124 0.4913 -0.0528 0.0648 -0.0620 153 ASP A OD1 1192 O OD2 . ASP A 153 ? 0.4079 0.4146 0.4536 -0.0519 0.0654 -0.0462 153 ASP A OD2 1193 N N . GLN A 154 ? 0.3844 0.4367 0.5485 -0.0345 0.0362 -0.0725 154 GLN A N 1194 C CA . GLN A 154 ? 0.3875 0.4566 0.5706 -0.0285 0.0142 -0.0765 154 GLN A CA 1195 C C . GLN A 154 ? 0.3874 0.4574 0.5584 -0.0352 0.0067 -0.0807 154 GLN A C 1196 O O . GLN A 154 ? 0.3957 0.4704 0.5550 -0.0303 -0.0130 -0.0807 154 GLN A O 1197 C CB . GLN A 154 ? 0.3884 0.4798 0.6258 -0.0262 0.0137 -0.0867 154 GLN A CB 1198 C CG . GLN A 154 ? 0.4075 0.5003 0.6617 -0.0144 0.0141 -0.0820 154 GLN A CG 1199 C CD . GLN A 154 ? 0.4351 0.5531 0.7506 -0.0108 0.0142 -0.0920 154 GLN A CD 1200 O OE1 . GLN A 154 ? 0.4511 0.5890 0.7917 0.0014 -0.0074 -0.0913 154 GLN A OE1 1201 N NE2 . GLN A 154 ? 0.4398 0.5578 0.7802 -0.0207 0.0389 -0.1008 154 GLN A NE2 1202 N N . GLY A 155 ? 0.3843 0.4472 0.5556 -0.0461 0.0244 -0.0840 155 GLY A N 1203 C CA . GLY A 155 ? 0.3844 0.4435 0.5477 -0.0536 0.0237 -0.0888 155 GLY A CA 1204 C C . GLY A 155 ? 0.3869 0.4301 0.5058 -0.0508 0.0178 -0.0791 155 GLY A C 1205 O O . GLY A 155 ? 0.3970 0.4407 0.5071 -0.0520 0.0066 -0.0843 155 GLY A O 1206 N N . THR A 156 ? 0.3816 0.4114 0.4737 -0.0478 0.0259 -0.0668 156 THR A N 1207 C CA . THR A 156 ? 0.3845 0.4017 0.4404 -0.0446 0.0215 -0.0576 156 THR A CA 1208 C C . THR A 156 ? 0.3929 0.4128 0.4385 -0.0367 0.0028 -0.0569 156 THR A C 1209 O O . THR A 156 ? 0.4018 0.4143 0.4246 -0.0357 -0.0036 -0.0557 156 THR A O 1210 C CB . THR A 156 ? 0.3797 0.3878 0.4156 -0.0438 0.0319 -0.0469 156 THR A CB 1211 O OG1 . THR A 156 ? 0.3769 0.3806 0.4128 -0.0492 0.0476 -0.0446 156 THR A OG1 1212 C CG2 . THR A 156 ? 0.3815 0.3804 0.3887 -0.0405 0.0273 -0.0388 156 THR A CG2 1213 N N . SER A 157 ? 0.3953 0.4240 0.4570 -0.0302 -0.0038 -0.0570 157 SER A N 1214 C CA . SER A 157 ? 0.4099 0.4397 0.4613 -0.0197 -0.0211 -0.0529 157 SER A CA 1215 C C . SER A 157 ? 0.4245 0.4659 0.4781 -0.0193 -0.0391 -0.0618 157 SER A C 1216 O O . SER A 157 ? 0.4441 0.4780 0.4672 -0.0142 -0.0504 -0.0579 157 SER A O 1217 C CB . SER A 157 ? 0.4097 0.4464 0.4847 -0.0114 -0.0226 -0.0505 157 SER A CB 1218 O OG . SER A 157 ? 0.4275 0.4569 0.4845 0.0007 -0.0342 -0.0406 157 SER A OG 1219 N N . ALA A 158 ? 0.4192 0.4787 0.5085 -0.0258 -0.0403 -0.0752 158 ALA A N 1220 C CA . ALA A 158 ? 0.4323 0.5072 0.5300 -0.0288 -0.0575 -0.0889 158 ALA A CA 1221 C C . ALA A 158 ? 0.4424 0.5017 0.5079 -0.0368 -0.0538 -0.0929 158 ALA A C 1222 O O . ALA A 158 ? 0.4653 0.5272 0.5110 -0.0355 -0.0704 -0.0991 158 ALA A O 1223 C CB . ALA A 158 ? 0.4227 0.5199 0.5727 -0.0371 -0.0544 -0.1044 158 ALA A CB 1224 N N . THR A 159 ? 0.4286 0.4712 0.4880 -0.0440 -0.0319 -0.0890 159 THR A N 1225 C CA . THR A 159 ? 0.4379 0.4635 0.4725 -0.0503 -0.0238 -0.0914 159 THR A CA 1226 C C . THR A 159 ? 0.4514 0.4613 0.4420 -0.0428 -0.0288 -0.0808 159 THR A C 1227 O O . THR A 159 ? 0.4735 0.4773 0.4411 -0.0445 -0.0355 -0.0878 159 THR A O 1228 C CB . THR A 159 ? 0.4247 0.4372 0.4660 -0.0566 0.0007 -0.0862 159 THR A CB 1229 O OG1 . THR A 159 ? 0.4176 0.4400 0.4969 -0.0649 0.0090 -0.0970 159 THR A OG1 1230 C CG2 . THR A 159 ? 0.4342 0.4277 0.4531 -0.0604 0.0106 -0.0863 159 THR A CG2 1231 N N . VAL A 160 ? 0.4405 0.4430 0.4198 -0.0357 -0.0238 -0.0655 160 VAL A N 1232 C CA . VAL A 160 ? 0.4547 0.4410 0.3971 -0.0292 -0.0245 -0.0549 160 VAL A CA 1233 C C . VAL A 160 ? 0.4853 0.4735 0.4064 -0.0221 -0.0442 -0.0570 160 VAL A C 1234 O O . VAL A 160 ? 0.5088 0.4823 0.3948 -0.0213 -0.0446 -0.0563 160 VAL A O 1235 C CB . VAL A 160 ? 0.4399 0.4207 0.3813 -0.0245 -0.0160 -0.0413 160 VAL A CB 1236 C CG1 . VAL A 160 ? 0.4547 0.4191 0.3635 -0.0180 -0.0160 -0.0312 160 VAL A CG1 1237 C CG2 . VAL A 160 ? 0.4211 0.3993 0.3712 -0.0308 0.0008 -0.0384 160 VAL A CG2 1238 N N . GLN A 161 ? 0.4876 0.4941 0.4295 -0.0164 -0.0601 -0.0594 161 GLN A N 1239 C CA . GLN A 161 ? 0.5192 0.5332 0.4436 -0.0078 -0.0833 -0.0611 161 GLN A CA 1240 C C . GLN A 161 ? 0.5446 0.5615 0.4534 -0.0161 -0.0920 -0.0779 161 GLN A C 1241 O O . GLN A 161 ? 0.5795 0.5854 0.4456 -0.0117 -0.1010 -0.0763 161 GLN A O 1242 C CB . GLN A 161 ? 0.5142 0.5539 0.4763 -0.0004 -0.0995 -0.0630 161 GLN A CB 1243 C CG . GLN A 161 ? 0.5137 0.5466 0.4712 0.0148 -0.1014 -0.0449 161 GLN A CG 1244 C CD . GLN A 161 ? 0.4986 0.5555 0.5052 0.0210 -0.1089 -0.0468 161 GLN A CD 1245 O OE1 . GLN A 161 ? 0.5166 0.5938 0.5347 0.0311 -0.1321 -0.0481 161 GLN A OE1 1246 N NE2 . GLN A 161 ? 0.4675 0.5235 0.5039 0.0152 -0.0894 -0.0473 161 GLN A NE2 1247 N N . MET A 162 ? 0.5342 0.5634 0.4761 -0.0288 -0.0869 -0.0944 162 MET A N 1248 C CA . MET A 162 ? 0.5609 0.5921 0.4949 -0.0400 -0.0916 -0.1145 162 MET A CA 1249 C C . MET A 162 ? 0.5744 0.5756 0.4666 -0.0438 -0.0750 -0.1122 162 MET A C 1250 O O . MET A 162 ? 0.6095 0.6048 0.4712 -0.0477 -0.0823 -0.1243 162 MET A O 1251 C CB . MET A 162 ? 0.5455 0.5907 0.5287 -0.0538 -0.0825 -0.1314 162 MET A CB 1252 C CG . MET A 162 ? 0.5916 0.6457 0.5780 -0.0668 -0.0914 -0.1576 162 MET A CG 1253 S SD . MET A 162 ? 0.6158 0.6663 0.6473 -0.0860 -0.0655 -0.1752 162 MET A SD 1254 C CE . MET A 162 ? 0.5980 0.6082 0.5970 -0.0852 -0.0343 -0.1587 162 MET A CE 1255 N N . LEU A 163 ? 0.5496 0.5335 0.4416 -0.0428 -0.0528 -0.0978 163 LEU A N 1256 C CA . LEU A 163 ? 0.5589 0.5169 0.4207 -0.0450 -0.0346 -0.0940 163 LEU A CA 1257 C C . LEU A 163 ? 0.5874 0.5298 0.4013 -0.0361 -0.0396 -0.0842 163 LEU A C 1258 O O . LEU A 163 ? 0.6178 0.5429 0.3983 -0.0393 -0.0336 -0.0906 163 LEU A O 1259 C CB . LEU A 163 ? 0.5280 0.4778 0.4073 -0.0450 -0.0129 -0.0806 163 LEU A CB 1260 C CG . LEU A 163 ? 0.5119 0.4651 0.4261 -0.0536 0.0008 -0.0868 163 LEU A CG 1261 C CD1 . LEU A 163 ? 0.4918 0.4422 0.4176 -0.0498 0.0151 -0.0700 163 LEU A CD1 1262 C CD2 . LEU A 163 ? 0.5366 0.4744 0.4439 -0.0619 0.0134 -0.0994 163 LEU A CD2 1263 N N . LEU A 164 ? 0.5819 0.5275 0.3921 -0.0250 -0.0476 -0.0688 164 LEU A N 1264 C CA . LEU A 164 ? 0.6100 0.5364 0.3756 -0.0155 -0.0480 -0.0559 164 LEU A CA 1265 C C . LEU A 164 ? 0.6560 0.5859 0.3870 -0.0100 -0.0713 -0.0617 164 LEU A C 1266 O O . LEU A 164 ? 0.6966 0.6058 0.3793 -0.0085 -0.0679 -0.0609 164 LEU A O 1267 C CB . LEU A 164 ? 0.5922 0.5163 0.3678 -0.0062 -0.0440 -0.0371 164 LEU A CB 1268 C CG . LEU A 164 ? 0.5502 0.4705 0.3507 -0.0109 -0.0228 -0.0303 164 LEU A CG 1269 C CD1 . LEU A 164 ? 0.5381 0.4556 0.3456 -0.0033 -0.0204 -0.0160 164 LEU A CD1 1270 C CD2 . LEU A 164 ? 0.5536 0.4547 0.3354 -0.0156 -0.0029 -0.0291 164 LEU A CD2 1271 N N . ASN A 165 ? 0.6544 0.6115 0.4099 -0.0069 -0.0948 -0.0680 165 ASN A N 1272 C CA . ASN A 165 ? 0.6992 0.6672 0.4259 -0.0002 -0.1227 -0.0738 165 ASN A CA 1273 C C . ASN A 165 ? 0.7275 0.6987 0.4364 -0.0132 -0.1290 -0.0987 165 ASN A C 1274 O O . ASN A 165 ? 0.7797 0.7423 0.4362 -0.0096 -0.1415 -0.1018 165 ASN A O 1275 C CB . ASN A 165 ? 0.6880 0.6895 0.4554 0.0079 -0.1471 -0.0736 165 ASN A CB 1276 C CG . ASN A 165 ? 0.6749 0.6709 0.4557 0.0222 -0.1418 -0.0501 165 ASN A CG 1277 O OD1 . ASN A 165 ? 0.6673 0.6378 0.4365 0.0226 -0.1185 -0.0365 165 ASN A OD1 1278 N ND2 . ASN A 165 ? 0.6828 0.7038 0.4921 0.0335 -0.1630 -0.0467 165 ASN A ND2 1279 N N . ASP A 166 ? 0.6982 0.6792 0.4481 -0.0285 -0.1189 -0.1167 166 ASP A N 1280 C CA . ASP A 166 ? 0.7246 0.7124 0.4702 -0.0431 -0.1252 -0.1448 166 ASP A CA 1281 C C . ASP A 166 ? 0.7248 0.6847 0.4611 -0.0560 -0.0948 -0.1538 166 ASP A C 1282 O O . ASP A 166 ? 0.7659 0.7081 0.4572 -0.0610 -0.0920 -0.1652 166 ASP A O 1283 C CB . ASP A 166 ? 0.7031 0.7271 0.5083 -0.0514 -0.1399 -0.1631 166 ASP A CB 1284 C CG . ASP A 166 ? 0.7120 0.7682 0.5305 -0.0381 -0.1728 -0.1578 166 ASP A CG 1285 O OD1 . ASP A 166 ? 0.7630 0.8280 0.5432 -0.0321 -0.1991 -0.1626 166 ASP A OD1 1286 O OD2 . ASP A 166 ? 0.6735 0.7463 0.5403 -0.0330 -0.1722 -0.1486 166 ASP A OD2 1287 N N . THR A 167 ? 0.6822 0.6378 0.4597 -0.0605 -0.0719 -0.1482 167 THR A N 1288 C CA . THR A 167 ? 0.6811 0.6148 0.4638 -0.0717 -0.0436 -0.1567 167 THR A CA 1289 C C . THR A 167 ? 0.7022 0.6038 0.4411 -0.0676 -0.0238 -0.1462 167 THR A C 1290 O O . THR A 167 ? 0.7296 0.6120 0.4516 -0.0764 -0.0084 -0.1607 167 THR A O 1291 C CB . THR A 167 ? 0.6329 0.5706 0.4679 -0.0744 -0.0255 -0.1491 167 THR A CB 1292 O OG1 . THR A 167 ? 0.6194 0.5845 0.4965 -0.0799 -0.0394 -0.1608 167 THR A OG1 1293 C CG2 . THR A 167 ? 0.6371 0.5524 0.4802 -0.0837 0.0028 -0.1564 167 THR A CG2 1294 N N . CYS A 168 ? 0.6922 0.5872 0.4161 -0.0550 -0.0217 -0.1226 168 CYS A N 1295 C CA . CYS A 168 ? 0.7117 0.5781 0.4012 -0.0512 -0.0006 -0.1119 168 CYS A CA 1296 C C . CYS A 168 ? 0.7699 0.6181 0.3990 -0.0520 -0.0045 -0.1220 168 CYS A C 1297 O O . CYS A 168 ? 0.7936 0.6186 0.4039 -0.0583 0.0171 -0.1306 168 CYS A O 1298 C CB . CYS A 168 ? 0.6907 0.5551 0.3831 -0.0397 0.0037 -0.0866 168 CYS A CB 1299 S SG . CYS A 168 ? 0.7173 0.5509 0.3855 -0.0371 0.0345 -0.0741 168 CYS A SG 1300 N N . PRO A 169 ? 0.7983 0.6563 0.3956 -0.0449 -0.0315 -0.1207 169 PRO A N 1301 C CA . PRO A 169 ? 0.8630 0.7032 0.3944 -0.0451 -0.0368 -0.1300 169 PRO A CA 1302 C C . PRO A 169 ? 0.8909 0.7307 0.4160 -0.0612 -0.0366 -0.1617 169 PRO A C 1303 O O . PRO A 169 ? 0.9382 0.7512 0.4166 -0.0662 -0.0215 -0.1718 169 PRO A O 1304 C CB . PRO A 169 ? 0.8843 0.7436 0.3944 -0.0328 -0.0714 -0.1218 169 PRO A CB 1305 C CG . PRO A 169 ? 0.8313 0.7055 0.3881 -0.0234 -0.0734 -0.1010 169 PRO A CG 1306 C CD . PRO A 169 ? 0.7783 0.6619 0.3950 -0.0346 -0.0570 -0.1090 169 PRO A CD 1307 N N . LEU A 170 ? 0.8653 0.7329 0.4383 -0.0701 -0.0505 -0.1784 170 LEU A N 1308 C CA . LEU A 170 ? 0.8909 0.7596 0.4682 -0.0879 -0.0489 -0.2114 170 LEU A CA 1309 C C . LEU A 170 ? 0.8868 0.7244 0.4730 -0.0967 -0.0095 -0.2168 170 LEU A C 1310 O O . LEU A 170 ? 0.9318 0.7508 0.4902 -0.1085 0.0016 -0.2403 170 LEU A O 1311 C CB . LEU A 170 ? 0.8599 0.7642 0.4980 -0.0960 -0.0666 -0.2259 170 LEU A CB 1312 C CG . LEU A 170 ? 0.8922 0.8043 0.5410 -0.1161 -0.0707 -0.2639 170 LEU A CG 1313 C CD1 . LEU A 170 ? 0.9506 0.8844 0.5585 -0.1171 -0.1084 -0.2818 170 LEU A CD1 1314 C CD2 . LEU A 170 ? 0.8493 0.7835 0.5734 -0.1257 -0.0675 -0.2729 170 LEU A CD2 1315 N N . PHE A 171 ? 0.8354 0.6680 0.4603 -0.0905 0.0111 -0.1952 171 PHE A N 1316 C CA . PHE A 171 ? 0.8268 0.6336 0.4681 -0.0948 0.0474 -0.1950 171 PHE A CA 1317 C C . PHE A 171 ? 0.8651 0.6398 0.4569 -0.0909 0.0685 -0.1900 171 PHE A C 1318 O O . PHE A 171 ? 0.8934 0.6437 0.4782 -0.0990 0.0938 -0.2048 171 PHE A O 1319 C CB . PHE A 171 ? 0.7658 0.5812 0.4606 -0.0876 0.0590 -0.1724 171 PHE A CB 1320 C CG . PHE A 171 ? 0.7582 0.5507 0.4722 -0.0878 0.0936 -0.1671 171 PHE A CG 1321 C CD1 . PHE A 171 ? 0.7683 0.5473 0.5021 -0.0989 0.1122 -0.1862 171 PHE A CD1 1322 C CD2 . PHE A 171 ? 0.7399 0.5251 0.4559 -0.0765 0.1081 -0.1434 171 PHE A CD2 1323 C CE1 . PHE A 171 ? 0.7642 0.5217 0.5187 -0.0962 0.1446 -0.1790 171 PHE A CE1 1324 C CE2 . PHE A 171 ? 0.7336 0.5024 0.4728 -0.0746 0.1379 -0.1375 171 PHE A CE2 1325 C CZ . PHE A 171 ? 0.7489 0.5032 0.5068 -0.0832 0.1561 -0.1540 171 PHE A CZ 1326 N N . VAL A 172 ? 0.8705 0.6431 0.4300 -0.0787 0.0609 -0.1696 172 VAL A N 1327 C CA . VAL A 172 ? 0.9074 0.6485 0.4218 -0.0744 0.0840 -0.1621 172 VAL A CA 1328 C C . VAL A 172 ? 0.9819 0.7018 0.4325 -0.0827 0.0847 -0.1857 172 VAL A C 1329 O O . VAL A 172 ? 1.0143 0.7036 0.4436 -0.0869 0.1154 -0.1930 172 VAL A O 1330 C CB . VAL A 172 ? 0.8992 0.6404 0.3956 -0.0601 0.0783 -0.1342 172 VAL A CB 1331 C CG1 . VAL A 172 ? 0.9349 0.6422 0.3933 -0.0571 0.1084 -0.1264 172 VAL A CG1 1332 C CG2 . VAL A 172 ? 0.8320 0.5941 0.3886 -0.0540 0.0778 -0.1148 172 VAL A CG2 1333 N N . ARG A 173 ? 1.0114 0.7485 0.4329 -0.0851 0.0512 -0.1987 173 ARG A N 1334 C CA . ARG A 173 ? 1.0869 0.8095 0.4460 -0.0947 0.0459 -0.2253 173 ARG A CA 1335 C C . ARG A 173 ? 1.0973 0.8059 0.4770 -0.1122 0.0696 -0.2550 173 ARG A C 1336 O O . ARG A 173 ? 1.1606 0.8419 0.4900 -0.1211 0.0847 -0.2756 173 ARG A O 1337 C CB . ARG A 173 ? 1.1105 0.8647 0.4503 -0.0945 0.0003 -0.2360 173 ARG A CB 1338 C CG . ARG A 173 ? 1.1447 0.9010 0.4341 -0.0768 -0.0217 -0.2115 173 ARG A CG 1339 C CD . ARG A 173 ? 1.1654 0.9629 0.4619 -0.0730 -0.0688 -0.2166 173 ARG A CD 1340 N NE . ARG A 173 ? 1.1708 0.9767 0.4592 -0.0521 -0.0858 -0.1835 173 ARG A NE 1341 C CZ . ARG A 173 ? 1.1520 0.9957 0.4734 -0.0435 -0.1200 -0.1767 173 ARG A CZ 1342 N NH1 . ARG A 173 ? 1.1352 1.0150 0.5023 -0.0548 -0.1421 -0.2014 173 ARG A NH1 1343 N NH2 . ARG A 173 ? 1.1503 0.9947 0.4625 -0.0238 -0.1298 -0.1456 173 ARG A NH2 1344 N N . GLY A 174 ? 1.0405 0.7651 0.4926 -0.1170 0.0748 -0.2567 174 GLY A N 1345 C CA . GLY A 174 ? 1.0441 0.7526 0.5272 -0.1316 0.1021 -0.2799 174 GLY A CA 1346 C C . GLY A 174 ? 1.0470 0.7201 0.5314 -0.1276 0.1455 -0.2699 174 GLY A C 1347 O O . GLY A 174 ? 1.0899 0.7345 0.5585 -0.1385 0.1715 -0.2927 174 GLY A O 1348 N N . LEU A 175 ? 1.0020 0.6781 0.5083 -0.1124 0.1536 -0.2372 175 LEU A N 1349 C CA . LEU A 175 ? 1.0008 0.6503 0.5159 -0.1063 0.1920 -0.2243 175 LEU A CA 1350 C C . LEU A 175 ? 1.0704 0.6873 0.5165 -0.1082 0.2093 -0.2335 175 LEU A C 1351 O O . LEU A 175 ? 1.1007 0.6879 0.5452 -0.1128 0.2449 -0.2445 175 LEU A O 1352 C CB . LEU A 175 ? 0.9450 0.6103 0.4930 -0.0910 0.1907 -0.1899 175 LEU A CB 1353 C CG . LEU A 175 ? 0.8750 0.5661 0.4926 -0.0861 0.1848 -0.1745 175 LEU A CG 1354 C CD1 . LEU A 175 ? 0.8323 0.5398 0.4617 -0.0730 0.1762 -0.1454 175 LEU A CD1 1355 C CD2 . LEU A 175 ? 0.8576 0.5349 0.5210 -0.0866 0.2169 -0.1756 175 LEU A CD2 1356 N N . LEU A 176 ? 1.1010 0.7215 0.4894 -0.1038 0.1857 -0.2280 176 LEU A N 1357 C CA . LEU A 176 ? 1.1741 0.7619 0.4858 -0.1043 0.2005 -0.2336 176 LEU A CA 1358 C C . LEU A 176 ? 1.2423 0.8076 0.5144 -0.1208 0.2112 -0.2711 176 LEU A C 1359 O O . LEU A 176 ? 1.2993 0.8280 0.5290 -0.1240 0.2433 -0.2799 176 LEU A O 1360 C CB . LEU A 176 ? 1.1978 0.7947 0.4532 -0.0949 0.1689 -0.2190 176 LEU A CB 1361 C CG . LEU A 176 ? 1.1452 0.7576 0.4271 -0.0791 0.1607 -0.1832 176 LEU A CG 1362 C CD1 . LEU A 176 ? 1.1695 0.7934 0.4010 -0.0701 0.1245 -0.1726 176 LEU A CD1 1363 C CD2 . LEU A 176 ? 1.1430 0.7285 0.4258 -0.0726 0.1998 -0.1648 176 LEU A CD2 1364 N N . GLU A 177 ? 1.2407 0.8274 0.5286 -0.1324 0.1863 -0.2948 177 GLU A N 1365 C CA . GLU A 177 ? 1.3034 0.8719 0.5625 -0.1513 0.1953 -0.3352 177 GLU A CA 1366 C C . GLU A 177 ? 1.2912 0.8341 0.6002 -0.1582 0.2404 -0.3457 177 GLU A C 1367 O O . GLU A 177 ? 1.3531 0.8608 0.6273 -0.1688 0.2700 -0.3701 177 GLU A O 1368 C CB . GLU A 177 ? 1.3029 0.9057 0.5746 -0.1630 0.1554 -0.3588 177 GLU A CB 1369 C CG . GLU A 177 ? 1.3458 0.9722 0.5580 -0.1582 0.1094 -0.3577 177 GLU A CG 1370 C CD . GLU A 177 ? 1.3583 1.0211 0.5877 -0.1720 0.0716 -0.3869 177 GLU A CD 1371 O OE1 . GLU A 177 ? 1.4134 1.0658 0.6168 -0.1913 0.0749 -0.4264 177 GLU A OE1 1372 O OE2 . GLU A 177 ? 1.3063 1.0083 0.5771 -0.1642 0.0396 -0.3719 177 GLU A OE2 1373 N N . ALA A 178 ? 1.2158 0.7753 0.6046 -0.1512 0.2461 -0.3264 178 ALA A N 1374 C CA . ALA A 178 ? 1.2000 0.7399 0.6455 -0.1549 0.2846 -0.3324 178 ALA A CA 1375 C C . ALA A 178 ? 1.2013 0.7136 0.6539 -0.1435 0.3257 -0.3140 178 ALA A C 1376 O O . ALA A 178 ? 1.2252 0.7080 0.6967 -0.1481 0.3643 -0.3274 178 ALA A O 1377 C CB . ALA A 178 ? 1.1288 0.6971 0.6519 -0.1508 0.2733 -0.3178 178 ALA A CB 1378 N N . GLY A 179 ? 1.1762 0.6984 0.6181 -0.1288 0.3188 -0.2840 179 GLY A N 1379 C CA . GLY A 179 ? 1.1724 0.6753 0.6297 -0.1178 0.3556 -0.2654 179 GLY A CA 1380 C C . GLY A 179 ? 1.2351 0.7101 0.6187 -0.1179 0.3705 -0.2681 179 GLY A C 1381 O O . GLY A 179 ? 1.2248 0.6936 0.6172 -0.1070 0.3905 -0.2460 179 GLY A O 1382 N N . LYS A 180 ? 1.3045 0.7625 0.6152 -0.1307 0.3617 -0.2960 180 LYS A N 1383 C CA . LYS A 180 ? 1.3763 0.8061 0.6012 -0.1309 0.3716 -0.2987 180 LYS A CA 1384 C C . LYS A 180 ? 1.4071 0.7990 0.6338 -0.1282 0.4261 -0.2967 180 LYS A C 1385 O O . LYS A 180 ? 1.4234 0.8025 0.6200 -0.1198 0.4396 -0.2779 180 LYS A O 1386 C CB . LYS A 180 ? 1.4536 0.8717 0.6003 -0.1466 0.3536 -0.3338 180 LYS A CB 1387 C CG . LYS A 180 ? 1.5179 0.9219 0.5661 -0.1428 0.3407 -0.3287 180 LYS A CG 1388 C CD . LYS A 180 ? 1.6000 0.9916 0.5665 -0.1588 0.3248 -0.3663 180 LYS A CD 1389 C CE . LYS A 180 ? 1.6805 1.0213 0.6012 -0.1704 0.3738 -0.3932 180 LYS A CE 1390 N NZ . LYS A 180 ? 1.7613 1.0910 0.6032 -0.1886 0.3580 -0.4347 180 LYS A NZ 1391 N N . SER A 181 ? 1.4161 0.7898 0.6827 -0.1351 0.4592 -0.3156 181 SER A N 1392 C CA . SER A 181 ? 1.4522 0.7891 0.7263 -0.1331 0.5142 -0.3178 181 SER A CA 1393 C C . SER A 181 ? 1.3919 0.7441 0.7337 -0.1157 0.5306 -0.2821 181 SER A C 1394 O O . SER A 181 ? 1.4253 0.7539 0.7529 -0.1114 0.5658 -0.2753 181 SER A O 1395 C CB . SER A 181 ? 1.4744 0.7880 0.7810 -0.1435 0.5458 -0.3465 181 SER A CB 1396 O OG . SER A 181 ? 1.4038 0.7444 0.8001 -0.1373 0.5372 -0.3345 181 SER A OG 1397 N N . ASP A 182 ? 1.3097 0.7017 0.7243 -0.1065 0.5058 -0.2609 182 ASP A N 1398 C CA . ASP A 182 ? 1.2499 0.6639 0.7309 -0.0909 0.5142 -0.2286 182 ASP A CA 1399 C C . ASP A 182 ? 1.2428 0.6687 0.6885 -0.0852 0.4951 -0.2074 182 ASP A C 1400 O O . ASP A 182 ? 1.2298 0.6568 0.7023 -0.0768 0.5165 -0.1887 182 ASP A O 1401 C CB . ASP A 182 ? 1.1725 0.6238 0.7353 -0.0833 0.4931 -0.2137 182 ASP A CB 1402 C CG . ASP A 182 ? 1.1789 0.6155 0.7920 -0.0841 0.5213 -0.2265 182 ASP A CG 1403 O OD1 . ASP A 182 ? 1.2458 0.6448 0.8242 -0.0951 0.5491 -0.2544 182 ASP A OD1 1404 O OD2 . ASP A 182 ? 1.1218 0.5833 0.8081 -0.0734 0.5164 -0.2084 182 ASP A OD2 1405 N N . LEU A 183 ? 1.2535 0.6887 0.6431 -0.0896 0.4558 -0.2105 183 LEU A N 1406 C CA . LEU A 183 ? 1.2532 0.6962 0.6049 -0.0834 0.4365 -0.1898 183 LEU A CA 1407 C C . LEU A 183 ? 1.3363 0.7373 0.6075 -0.0860 0.4642 -0.1947 183 LEU A C 1408 O O . LEU A 183 ? 1.3394 0.7360 0.5997 -0.0789 0.4728 -0.1736 183 LEU A O 1409 C CB . LEU A 183 ? 1.2359 0.7052 0.5615 -0.0845 0.3845 -0.1891 183 LEU A CB 1410 C CG . LEU A 183 ? 1.1521 0.6648 0.5507 -0.0801 0.3538 -0.1777 183 LEU A CG 1411 C CD1 . LEU A 183 ? 1.1513 0.6836 0.5200 -0.0847 0.3090 -0.1872 183 LEU A CD1 1412 C CD2 . LEU A 183 ? 1.0898 0.6261 0.5362 -0.0684 0.3503 -0.1472 183 LEU A CD2 1413 N N . GLU A 184 ? 1.4081 0.7764 0.6219 -0.0970 0.4803 -0.2232 184 GLU A N 1414 C CA . GLU A 184 ? 1.4986 0.8219 0.6278 -0.1004 0.5105 -0.2302 184 GLU A CA 1415 C C . GLU A 184 ? 1.5212 0.8139 0.6803 -0.1018 0.5698 -0.2375 184 GLU A C 1416 O O . GLU A 184 ? 1.6043 0.8536 0.6952 -0.1078 0.6034 -0.2516 184 GLU A O 1417 C CB . GLU A 184 ? 1.5773 0.8817 0.6128 -0.1121 0.4918 -0.2587 184 GLU A CB 1418 C CG . GLU A 184 ? 1.5711 0.9048 0.5694 -0.1089 0.4339 -0.2510 184 GLU A CG 1419 C CD . GLU A 184 ? 1.6480 0.9728 0.5666 -0.1213 0.4101 -0.2828 184 GLU A CD 1420 O OE1 . GLU A 184 ? 1.7043 0.9970 0.5907 -0.1341 0.4395 -0.3131 184 GLU A OE1 1421 O OE2 . GLU A 184 ? 1.6465 0.9980 0.5369 -0.1184 0.3613 -0.2785 184 GLU A OE2 1422 N N . LYS A 185 ? 1.4500 0.7660 0.7105 -0.0954 0.5825 -0.2272 185 LYS A N 1423 C CA . LYS A 185 ? 1.4610 0.7557 0.7687 -0.0940 0.6368 -0.2319 185 LYS A CA 1424 C C . LYS A 185 ? 1.4869 0.7626 0.7820 -0.0890 0.6717 -0.2157 185 LYS A C 1425 O O . LYS A 185 ? 1.4552 0.7506 0.7554 -0.0822 0.6533 -0.1913 185 LYS A O 1426 C CB . LYS A 185 ? 1.3775 0.7081 0.7989 -0.0850 0.6350 -0.2202 185 LYS A CB 1427 N N . GLN A 186 ? 0.9205 1.0031 0.6831 -0.1104 0.2853 -0.1902 186 GLN A N 1428 C CA . GLN A 186 ? 0.9127 0.9770 0.6495 -0.0836 0.2877 -0.1787 186 GLN A CA 1429 C C . GLN A 186 ? 0.9201 0.9051 0.6845 -0.0717 0.3183 -0.1729 186 GLN A C 1430 O O . GLN A 186 ? 0.9668 0.9064 0.7471 -0.0927 0.3477 -0.2020 186 GLN A O 1431 C CB . GLN A 186 ? 0.9545 1.0590 0.6456 -0.1011 0.2875 -0.2126 186 GLN A CB 1432 C CG . GLN A 186 ? 0.9450 1.1464 0.6048 -0.1037 0.2569 -0.2086 186 GLN A CG 1433 C CD . GLN A 186 ? 0.9008 1.1238 0.5449 -0.0608 0.2364 -0.1596 186 GLN A CD 1434 O OE1 . GLN A 186 ? 0.8896 1.0678 0.5309 -0.0370 0.2448 -0.1393 186 GLN A OE1 1435 N NE2 . GLN A 186 ? 0.8798 1.1717 0.5156 -0.0513 0.2118 -0.1406 186 GLN A NE2 1436 N N . GLU A 187 ? 0.8800 0.8510 0.6518 -0.0380 0.3131 -0.1355 187 GLU A N 1437 C CA . GLU A 187 ? 0.8807 0.7968 0.6805 -0.0213 0.3392 -0.1216 187 GLU A CA 1438 C C . GLU A 187 ? 0.8750 0.7903 0.6521 -0.0024 0.3399 -0.1107 187 GLU A C 1439 O O . GLU A 187 ? 0.8462 0.7909 0.6057 0.0113 0.3166 -0.0895 187 GLU A O 1440 C CB . GLU A 187 ? 0.8384 0.7511 0.6786 -0.0017 0.3346 -0.0848 187 GLU A CB 1441 C CG . GLU A 187 ? 0.8498 0.7562 0.7232 -0.0179 0.3429 -0.0874 187 GLU A CG 1442 C CD . GLU A 187 ? 0.9020 0.7463 0.8071 -0.0257 0.3846 -0.0977 187 GLU A CD 1443 O OE1 . GLU A 187 ? 0.9101 0.7399 0.8557 -0.0265 0.3979 -0.0802 187 GLU A OE1 1444 O OE2 . GLU A 187 ? 0.9401 0.7491 0.8306 -0.0287 0.4071 -0.1209 187 GLU A OE2 1445 N N . LYS A 188 ? 0.9092 0.7882 0.6888 -0.0015 0.3699 -0.1243 188 LYS A N 1446 C CA . LYS A 188 ? 0.9104 0.7932 0.6700 0.0133 0.3751 -0.1151 188 LYS A CA 1447 C C . LYS A 188 ? 0.8676 0.7474 0.6556 0.0385 0.3731 -0.0744 188 LYS A C 1448 O O . LYS A 188 ? 0.8581 0.7178 0.6852 0.0492 0.3883 -0.0598 188 LYS A O 1449 C CB . LYS A 188 ? 0.9672 0.8197 0.7178 0.0072 0.4099 -0.1468 188 LYS A CB 1450 N N . PRO A 189 ? 0.8460 0.7503 0.6157 0.0468 0.3557 -0.0551 189 PRO A N 1451 C CA . PRO A 189 ? 0.8148 0.7238 0.6088 0.0626 0.3537 -0.0237 189 PRO A CA 1452 C C . PRO A 189 ? 0.8331 0.7333 0.6396 0.0721 0.3821 -0.0184 189 PRO A C 1453 O O . PRO A 189 ? 0.8700 0.7647 0.6519 0.0683 0.3981 -0.0362 189 PRO A O 1454 C CB . PRO A 189 ? 0.8043 0.7324 0.5715 0.0621 0.3310 -0.0111 189 PRO A CB 1455 C CG . PRO A 189 ? 0.8376 0.7763 0.5641 0.0531 0.3314 -0.0300 189 PRO A CG 1456 C CD . PRO A 189 ? 0.8556 0.7886 0.5827 0.0404 0.3375 -0.0600 189 PRO A CD 1457 N N . VAL A 190 ? 0.8095 0.7186 0.6539 0.0860 0.3887 0.0062 190 VAL A N 1458 C CA . VAL A 190 ? 0.8196 0.7373 0.6807 0.0991 0.4132 0.0202 190 VAL A CA 1459 C C . VAL A 190 ? 0.7900 0.7443 0.6571 0.0968 0.3960 0.0437 190 VAL A C 1460 O O . VAL A 190 ? 0.7597 0.7302 0.6386 0.0933 0.3734 0.0534 190 VAL A O 1461 C CB . VAL A 190 ? 0.8235 0.7355 0.7284 0.1191 0.4391 0.0347 190 VAL A CB 1462 C CG1 . VAL A 190 ? 0.8283 0.7661 0.7549 0.1380 0.4629 0.0568 190 VAL A CG1 1463 C CG2 . VAL A 190 ? 0.8714 0.7322 0.7731 0.1169 0.4632 0.0079 190 VAL A CG2 1464 N N . ALA A 191 ? 0.8052 0.7729 0.6640 0.0966 0.4082 0.0503 191 ALA A N 1465 C CA . ALA A 191 ? 0.7870 0.7861 0.6537 0.0875 0.3959 0.0706 191 ALA A CA 1466 C C . ALA A 191 ? 0.7833 0.8238 0.6837 0.0974 0.4161 0.0918 191 ALA A C 1467 O O . ALA A 191 ? 0.8083 0.8479 0.7089 0.1119 0.4439 0.0912 191 ALA A O 1468 C CB . ALA A 191 ? 0.8091 0.7984 0.6384 0.0747 0.3900 0.0680 191 ALA A CB 1469 N N . TRP A 192 ? 0.7557 0.8382 0.6847 0.0897 0.4028 0.1086 192 TRP A N 1470 C CA . TRP A 192 ? 0.7498 0.8926 0.7121 0.0936 0.4172 0.1316 192 TRP A CA 1471 C C . TRP A 192 ? 0.7404 0.9175 0.7124 0.0642 0.3985 0.1382 192 TRP A C 1472 O O . TRP A 192 ? 0.7298 0.8909 0.6954 0.0476 0.3744 0.1267 192 TRP A O 1473 C CB . TRP A 192 ? 0.7330 0.9158 0.7351 0.1194 0.4300 0.1487 192 TRP A CB 1474 C CG . TRP A 192 ? 0.6982 0.9144 0.7212 0.1151 0.4067 0.1528 192 TRP A CG 1475 C CD1 . TRP A 192 ? 0.6753 0.9702 0.7283 0.1051 0.3949 0.1667 192 TRP A CD1 1476 C CD2 . TRP A 192 ? 0.6823 0.8652 0.6981 0.1201 0.3936 0.1416 192 TRP A CD2 1477 N NE1 . TRP A 192 ? 0.6475 0.9603 0.7089 0.1053 0.3751 0.1630 192 TRP A NE1 1478 C CE2 . TRP A 192 ? 0.6517 0.8958 0.6918 0.1160 0.3745 0.1504 192 TRP A CE2 1479 C CE3 . TRP A 192 ? 0.6922 0.8080 0.6840 0.1251 0.3961 0.1238 192 TRP A CE3 1480 C CZ2 . TRP A 192 ? 0.6354 0.8736 0.6755 0.1208 0.3590 0.1452 192 TRP A CZ2 1481 C CZ3 . TRP A 192 ? 0.6772 0.7868 0.6726 0.1272 0.3804 0.1200 192 TRP A CZ3 1482 C CH2 . TRP A 192 ? 0.6479 0.8174 0.6668 0.1270 0.3626 0.1323 192 TRP A CH2 1483 N N . LEU A 193 ? 0.7511 0.9738 0.7392 0.0571 0.4122 0.1550 193 LEU A N 1484 C CA . LEU A 193 ? 0.7553 1.0057 0.7545 0.0219 0.4001 0.1595 193 LEU A CA 1485 C C . LEU A 193 ? 0.7359 1.0805 0.7817 0.0137 0.3993 0.1739 193 LEU A C 1486 O O . LEU A 193 ? 0.7252 1.1244 0.7955 0.0414 0.4166 0.1924 193 LEU A O 1487 C CB . LEU A 193 ? 0.7871 1.0252 0.7691 0.0112 0.4154 0.1698 193 LEU A CB 1488 C CG . LEU A 193 ? 0.8126 0.9830 0.7472 0.0205 0.4197 0.1608 193 LEU A CG 1489 C CD1 . LEU A 193 ? 0.8380 1.0228 0.7621 0.0139 0.4388 0.1786 193 LEU A CD1 1490 C CD2 . LEU A 193 ? 0.8175 0.9299 0.7284 0.0067 0.3965 0.1470 193 LEU A CD2 1491 N N . SER A 194 ? 0.7378 1.1034 0.7960 -0.0241 0.3809 0.1647 194 SER A N 1492 C CA . SER A 194 ? 0.7238 1.1935 0.8250 -0.0422 0.3762 0.1722 194 SER A CA 1493 C C . SER A 194 ? 0.7508 1.2237 0.8600 -0.0964 0.3645 0.1571 194 SER A C 1494 O O . SER A 194 ? 0.7800 1.1659 0.8622 -0.1142 0.3622 0.1457 194 SER A O 1495 C CB . SER A 194 ? 0.6927 1.2058 0.8087 -0.0254 0.3617 0.1668 194 SER A CB 1496 O OG . SER A 194 ? 0.6961 1.1593 0.7930 -0.0455 0.3379 0.1366 194 SER A OG 1497 N N . SER A 195 ? 0.7464 1.3229 0.8946 -0.1227 0.3593 0.1582 195 SER A N 1498 C CA . SER A 195 ? 0.7813 1.3687 0.9444 -0.1822 0.3508 0.1384 195 SER A CA 1499 C C . SER A 195 ? 0.7703 1.4633 0.9649 -0.2082 0.3324 0.1186 195 SER A C 1500 O O . SER A 195 ? 0.7357 1.5383 0.9554 -0.1828 0.3327 0.1378 195 SER A O 1501 C CB . SER A 195 ? 0.8043 1.4253 0.9865 -0.2049 0.3708 0.1624 195 SER A CB 1502 N N . VAL A 196 ? 0.8075 1.4684 1.0003 -0.2574 0.3187 0.0804 196 VAL A N 1503 C CA . VAL A 196 ? 0.8111 1.5747 1.0309 -0.2947 0.3008 0.0504 196 VAL A CA 1504 C C . VAL A 196 ? 0.8738 1.6199 1.1092 -0.3679 0.3025 0.0199 196 VAL A C 1505 O O . VAL A 196 ? 0.9196 1.5349 1.1332 -0.3835 0.3116 0.0110 196 VAL A O 1506 C CB . VAL A 196 ? 0.7991 1.5358 0.9963 -0.2783 0.2807 0.0194 196 VAL A CB 1507 N N . PRO A 197 ? 0.8819 1.7629 1.1572 -0.4138 0.2959 0.0059 197 PRO A N 1508 C CA . PRO A 197 ? 0.9508 1.8163 1.2459 -0.4926 0.2994 -0.0289 197 PRO A CA 1509 C C . PRO A 197 ? 1.0042 1.7586 1.2743 -0.5211 0.2903 -0.0857 197 PRO A C 1510 O O . PRO A 197 ? 0.9810 1.7480 1.2322 -0.4956 0.2725 -0.1091 197 PRO A O 1511 C CB . PRO A 197 ? 0.9380 1.9980 1.2791 -0.5300 0.2889 -0.0370 197 PRO A CB 1512 C CG . PRO A 197 ? 0.8651 2.0321 1.2156 -0.4627 0.2910 0.0171 197 PRO A CG 1513 C CD . PRO A 197 ? 0.8333 1.8934 1.1409 -0.3958 0.2881 0.0260 197 PRO A CD 1514 N N . SER A 198 ? 1.0802 1.7250 1.3513 -0.5704 0.3058 -0.1044 198 SER A N 1515 C CA . SER A 198 ? 1.1463 1.6629 1.3939 -0.5929 0.3053 -0.1550 198 SER A CA 1516 C C . SER A 198 ? 1.2425 1.7284 1.5187 -0.6803 0.3186 -0.1972 198 SER A C 1517 O O . SER A 198 ? 1.2570 1.8123 1.5711 -0.7247 0.3292 -0.1811 198 SER A O 1518 C CB . SER A 198 ? 1.1542 1.5072 1.3605 -0.5415 0.3181 -0.1270 198 SER A CB 1519 N N . SER A 199 ? 1.3133 1.6940 1.5726 -0.7048 0.3205 -0.2520 199 SER A N 1520 C CA . SER A 199 ? 1.4234 1.7478 1.7081 -0.7897 0.3378 -0.3017 199 SER A CA 1521 C C . SER A 199 ? 1.4865 1.6732 1.7785 -0.8026 0.3721 -0.2614 199 SER A C 1522 O O . SER A 199 ? 1.5663 1.7366 1.8945 -0.8767 0.3917 -0.2786 199 SER A O 1523 C CB . SER A 199 ? 1.4896 1.7285 1.7503 -0.8031 0.3345 -0.3731 199 SER A CB 1524 O OG . SER A 199 ? 1.4379 1.8182 1.6935 -0.7972 0.3037 -0.4121 199 SER A OG 1525 N N . HIS A 203 ? 1.3693 1.6145 1.6834 -0.7196 0.4176 -0.0363 203 HIS A N 1526 C CA . HIS A 203 ? 1.2950 1.5705 1.5874 -0.6495 0.4187 0.0238 203 HIS A CA 1527 C C . HIS A 203 ? 1.2074 1.5352 1.4699 -0.5844 0.3920 0.0170 203 HIS A C 1528 O O . HIS A 203 ? 1.2101 1.5013 1.4537 -0.5775 0.3756 -0.0248 203 HIS A O 1529 C CB . HIS A 203 ? 1.3361 1.4675 1.5985 -0.6180 0.4427 0.0647 203 HIS A CB 1530 N N . ARG A 204 ? 1.1366 1.5478 1.3962 -0.5367 0.3909 0.0587 204 ARG A N 1531 C CA . ARG A 204 ? 1.0590 1.5173 1.2955 -0.4735 0.3719 0.0607 204 ARG A CA 1532 C C . ARG A 204 ? 1.0560 1.3855 1.2423 -0.4229 0.3691 0.0608 204 ARG A C 1533 O O . ARG A 204 ? 1.0941 1.3216 1.2593 -0.4143 0.3859 0.0829 204 ARG A O 1534 C CB . ARG A 204 ? 1.0014 1.5616 1.2489 -0.4349 0.3799 0.1065 204 ARG A CB 1535 N N . GLN A 205 ? 1.0131 1.3580 1.1819 -0.3896 0.3484 0.0393 205 GLN A N 1536 C CA . GLN A 205 ? 1.0067 1.2471 1.1310 -0.3437 0.3430 0.0364 205 GLN A CA 1537 C C . GLN A 205 ? 0.9423 1.2081 1.0464 -0.2812 0.3417 0.0668 205 GLN A C 1538 O O . GLN A 205 ? 0.8908 1.2340 1.0027 -0.2574 0.3292 0.0633 205 GLN A O 1539 C CB . GLN A 205 ? 1.0137 1.2402 1.1305 -0.3515 0.3232 -0.0111 205 GLN A CB 1540 N N . LEU A 206 ? 0.9528 1.1544 1.0318 -0.2556 0.3569 0.0967 206 LEU A N 1541 C CA . LEU A 206 ? 0.9078 1.1193 0.9645 -0.2017 0.3598 0.1189 206 LEU A CA 1542 C C . LEU A 206 ? 0.8874 1.0452 0.9125 -0.1675 0.3442 0.1016 206 LEU A C 1543 O O . LEU A 206 ? 0.9212 0.9964 0.9241 -0.1711 0.3397 0.0891 206 LEU A O 1544 C CB . LEU A 206 ? 0.9320 1.1041 0.9694 -0.1901 0.3809 0.1512 206 LEU A CB 1545 N N . VAL A 207 ? 0.8367 1.0429 0.8628 -0.1332 0.3385 0.1039 207 VAL A N 1546 C CA . VAL A 207 ? 0.8129 0.9818 0.8150 -0.1030 0.3244 0.0898 207 VAL A CA 1547 C C . VAL A 207 ? 0.7959 0.9414 0.7738 -0.0631 0.3344 0.1059 207 VAL A C 1548 O O . VAL A 207 ? 0.7787 0.9716 0.7698 -0.0466 0.3486 0.1226 207 VAL A O 1549 C CB . VAL A 207 ? 0.7770 1.0194 0.8024 -0.0990 0.3092 0.0756 207 VAL A CB 1550 C CG1 . VAL A 207 ? 0.7606 0.9597 0.7623 -0.0755 0.2941 0.0596 207 VAL A CG1 1551 C CG2 . VAL A 207 ? 0.7952 1.0875 0.8480 -0.1442 0.3008 0.0547 207 VAL A CG2 1552 N N . CYS A 208 ? 0.8068 0.8818 0.7497 -0.0483 0.3286 0.0991 208 CYS A N 1553 C CA . CYS A 208 ? 0.7958 0.8502 0.7134 -0.0166 0.3349 0.1042 208 CYS A CA 1554 C C . CYS A 208 ? 0.7672 0.8161 0.6802 0.0025 0.3201 0.0893 208 CYS A C 1555 O O . CYS A 208 ? 0.7748 0.7839 0.6689 0.0030 0.3058 0.0774 208 CYS A O 1556 C CB . CYS A 208 ? 0.8311 0.8294 0.7122 -0.0144 0.3402 0.1115 208 CYS A CB 1557 S SG . CYS A 208 ? 0.8337 0.8179 0.6796 0.0160 0.3465 0.1083 208 CYS A SG 1558 N N . HIS A 209 ? 0.7379 0.8284 0.6708 0.0203 0.3264 0.0938 209 HIS A N 1559 C CA . HIS A 209 ? 0.7111 0.8028 0.6460 0.0385 0.3168 0.0861 209 HIS A CA 1560 C C . HIS A 209 ? 0.7186 0.7661 0.6270 0.0555 0.3246 0.0815 209 HIS A C 1561 O O . HIS A 209 ? 0.7310 0.7755 0.6364 0.0641 0.3451 0.0866 209 HIS A O 1562 C CB . HIS A 209 ? 0.6857 0.8446 0.6589 0.0519 0.3243 0.0999 209 HIS A CB 1563 C CG . HIS A 209 ? 0.6814 0.9086 0.6837 0.0332 0.3210 0.1060 209 HIS A CG 1564 N ND1 . HIS A 209 ? 0.6652 0.9460 0.6861 0.0250 0.3039 0.0986 209 HIS A ND1 1565 C CD2 . HIS A 209 ? 0.6950 0.9563 0.7121 0.0187 0.3328 0.1172 209 HIS A CD2 1566 C CE1 . HIS A 209 ? 0.6710 1.0176 0.7166 0.0031 0.3042 0.1019 209 HIS A CE1 1567 N NE2 . HIS A 209 ? 0.6870 1.0224 0.7326 -0.0014 0.3217 0.1149 209 HIS A NE2 1568 N N . VAL A 210 ? 0.7151 0.7337 0.6043 0.0591 0.3091 0.0691 210 VAL A N 1569 C CA . VAL A 210 ? 0.7237 0.7115 0.5890 0.0688 0.3133 0.0599 210 VAL A CA 1570 C C . VAL A 210 ? 0.7019 0.6978 0.5814 0.0790 0.3061 0.0559 210 VAL A C 1571 O O . VAL A 210 ? 0.6871 0.6922 0.5683 0.0784 0.2870 0.0531 210 VAL A O 1572 C CB . VAL A 210 ? 0.7460 0.7020 0.5726 0.0633 0.3026 0.0538 210 VAL A CB 1573 C CG1 . VAL A 210 ? 0.7592 0.7029 0.5607 0.0683 0.3074 0.0413 210 VAL A CG1 1574 C CG2 . VAL A 210 ? 0.7698 0.7193 0.5867 0.0531 0.3105 0.0654 210 VAL A CG2 1575 N N . SER A 211 ? 0.7069 0.6975 0.5975 0.0887 0.3241 0.0556 211 SER A N 1576 C CA . SER A 211 ? 0.6939 0.6931 0.6056 0.0980 0.3229 0.0587 211 SER A CA 1577 C C . SER A 211 ? 0.7180 0.6827 0.6230 0.0973 0.3377 0.0450 211 SER A C 1578 O O . SER A 211 ? 0.7480 0.6882 0.6466 0.0967 0.3606 0.0360 211 SER A O 1579 C CB . SER A 211 ? 0.6773 0.7193 0.6311 0.1128 0.3348 0.0826 211 SER A CB 1580 O OG . SER A 211 ? 0.6645 0.7234 0.6399 0.1234 0.3324 0.0926 211 SER A OG 1581 N N . GLY A 212 ? 0.7081 0.6740 0.6154 0.0953 0.3258 0.0410 212 GLY A N 1582 C CA . GLY A 212 ? 0.7317 0.6701 0.6422 0.0887 0.3404 0.0277 212 GLY A CA 1583 C C . GLY A 212 ? 0.7500 0.6767 0.6226 0.0699 0.3283 0.0001 212 GLY A C 1584 O O . GLY A 212 ? 0.7858 0.6882 0.6535 0.0564 0.3446 -0.0217 212 GLY A O 1585 N N . PHE A 213 ? 0.7311 0.6780 0.5778 0.0692 0.3017 0.0006 213 PHE A N 1586 C CA . PHE A 213 ? 0.7474 0.7004 0.5578 0.0569 0.2894 -0.0181 213 PHE A CA 1587 C C . PHE A 213 ? 0.7337 0.7137 0.5431 0.0553 0.2685 -0.0180 213 PHE A C 1588 O O . PHE A 213 ? 0.7049 0.7004 0.5298 0.0681 0.2555 -0.0018 213 PHE A O 1589 C CB . PHE A 213 ? 0.7536 0.7098 0.5316 0.0607 0.2813 -0.0136 213 PHE A CB 1590 C CG . PHE A 213 ? 0.7233 0.6841 0.5053 0.0732 0.2654 0.0063 213 PHE A CG 1591 C CD1 . PHE A 213 ? 0.7087 0.6630 0.5104 0.0769 0.2730 0.0185 213 PHE A CD1 1592 C CD2 . PHE A 213 ? 0.7119 0.6861 0.4782 0.0804 0.2450 0.0106 213 PHE A CD2 1593 C CE1 . PHE A 213 ? 0.6936 0.6503 0.4991 0.0813 0.2600 0.0285 213 PHE A CE1 1594 C CE2 . PHE A 213 ? 0.7035 0.6709 0.4727 0.0908 0.2348 0.0225 213 PHE A CE2 1595 C CZ . PHE A 213 ? 0.6965 0.6530 0.4851 0.0881 0.2423 0.0283 213 PHE A CZ 1596 N N . TYR A 214 ? 0.7574 0.7511 0.5484 0.0384 0.2662 -0.0385 214 TYR A N 1597 C CA . TYR A 214 ? 0.7487 0.7822 0.5341 0.0356 0.2457 -0.0386 214 TYR A CA 1598 C C . TYR A 214 ? 0.7798 0.8454 0.5286 0.0205 0.2392 -0.0586 214 TYR A C 1599 O O . TYR A 214 ? 0.8138 0.8682 0.5534 0.0003 0.2555 -0.0843 214 TYR A O 1600 C CB . TYR A 214 ? 0.7428 0.7782 0.5640 0.0242 0.2531 -0.0402 214 TYR A CB 1601 C CG . TYR A 214 ? 0.7245 0.8089 0.5479 0.0275 0.2314 -0.0314 214 TYR A CG 1602 C CD1 . TYR A 214 ? 0.7431 0.8668 0.5565 0.0047 0.2244 -0.0492 214 TYR A CD1 1603 C CD2 . TYR A 214 ? 0.6870 0.7870 0.5218 0.0526 0.2181 -0.0076 214 TYR A CD2 1604 C CE1 . TYR A 214 ? 0.7223 0.9013 0.5395 0.0099 0.2052 -0.0380 214 TYR A CE1 1605 C CE2 . TYR A 214 ? 0.6693 0.8177 0.5051 0.0597 0.2002 0.0005 214 TYR A CE2 1606 C CZ . TYR A 214 ? 0.6867 0.8752 0.5147 0.0398 0.1941 -0.0119 214 TYR A CZ 1607 O OH . TYR A 214 ? 0.6753 0.9214 0.5062 0.0487 0.1772 -0.0008 214 TYR A OH 1608 N N . PRO A 215 ? 0.7739 0.8855 0.5012 0.0322 0.2171 -0.0470 215 PRO A N 1609 C CA . PRO A 215 ? 0.7460 0.8718 0.4798 0.0577 0.1999 -0.0221 215 PRO A CA 1610 C C . PRO A 215 ? 0.7390 0.8278 0.4685 0.0813 0.2002 -0.0028 215 PRO A C 1611 O O . PRO A 215 ? 0.7498 0.8052 0.4758 0.0774 0.2135 -0.0044 215 PRO A O 1612 C CB . PRO A 215 ? 0.7582 0.9480 0.4653 0.0626 0.1827 -0.0186 215 PRO A CB 1613 C CG . PRO A 215 ? 0.7891 1.0089 0.4788 0.0328 0.1886 -0.0457 215 PRO A CG 1614 C CD . PRO A 215 ? 0.8035 0.9653 0.4947 0.0228 0.2098 -0.0591 215 PRO A CD 1615 N N . LYS A 216 ? 0.7276 0.8238 0.4580 0.1040 0.1873 0.0131 216 LYS A N 1616 C CA . LYS A 216 ? 0.7286 0.7865 0.4598 0.1211 0.1885 0.0252 216 LYS A CA 1617 C C . LYS A 216 ? 0.7618 0.7975 0.4655 0.1295 0.1934 0.0370 216 LYS A C 1618 O O . LYS A 216 ? 0.7705 0.7661 0.4799 0.1281 0.2023 0.0409 216 LYS A O 1619 C CB . LYS A 216 ? 0.7166 0.7865 0.4554 0.1421 0.1764 0.0320 216 LYS A CB 1620 C CG . LYS A 216 ? 0.7152 0.7485 0.4644 0.1502 0.1790 0.0322 216 LYS A CG 1621 C CD . LYS A 216 ? 0.7038 0.7592 0.4627 0.1675 0.1688 0.0304 216 LYS A CD 1622 C CE . LYS A 216 ? 0.7305 0.7481 0.4847 0.1797 0.1705 0.0255 216 LYS A CE 1623 N NZ . LYS A 216 ? 0.7277 0.7686 0.4838 0.2009 0.1620 0.0197 216 LYS A NZ 1624 N N . PRO A 217 ? 0.7840 0.8537 0.4600 0.1379 0.1886 0.0459 217 PRO A N 1625 C CA . PRO A 217 ? 0.8187 0.8721 0.4704 0.1494 0.1965 0.0654 217 PRO A CA 1626 C C . PRO A 217 ? 0.8252 0.8555 0.4761 0.1297 0.2114 0.0585 217 PRO A C 1627 O O . PRO A 217 ? 0.8275 0.8852 0.4710 0.1117 0.2153 0.0412 217 PRO A O 1628 C CB . PRO A 217 ? 0.8375 0.9574 0.4620 0.1592 0.1885 0.0753 217 PRO A CB 1629 C CG . PRO A 217 ? 0.8151 0.9743 0.4517 0.1632 0.1741 0.0681 217 PRO A CG 1630 C CD . PRO A 217 ? 0.7809 0.9142 0.4483 0.1399 0.1761 0.0439 217 PRO A CD 1631 N N . VAL A 218 ? 0.8343 0.8158 0.4935 0.1318 0.2213 0.0697 218 VAL A N 1632 C CA . VAL A 218 ? 0.8381 0.8019 0.5003 0.1156 0.2367 0.0672 218 VAL A CA 1633 C C . VAL A 218 ? 0.8751 0.8097 0.5267 0.1239 0.2477 0.0946 218 VAL A C 1634 O O . VAL A 218 ? 0.8965 0.8063 0.5457 0.1410 0.2460 0.1124 218 VAL A O 1635 C CB . VAL A 218 ? 0.8064 0.7498 0.5032 0.1012 0.2409 0.0514 218 VAL A CB 1636 C CG1 . VAL A 218 ? 0.8049 0.7142 0.5200 0.1037 0.2401 0.0589 218 VAL A CG1 1637 C CG2 . VAL A 218 ? 0.8073 0.7511 0.5080 0.0867 0.2578 0.0442 218 VAL A CG2 1638 N N . TRP A 219 ? 0.8886 0.8239 0.5351 0.1127 0.2621 0.0989 219 TRP A N 1639 C CA . TRP A 219 ? 0.9290 0.8389 0.5697 0.1166 0.2762 0.1285 219 TRP A CA 1640 C C . TRP A 219 ? 0.9219 0.8167 0.5836 0.0959 0.2902 0.1239 219 TRP A C 1641 O O . TRP A 219 ? 0.9136 0.8367 0.5694 0.0880 0.2982 0.1131 219 TRP A O 1642 C CB . TRP A 219 ? 0.9640 0.9160 0.5691 0.1306 0.2810 0.1510 219 TRP A CB 1643 C CG . TRP A 219 ? 1.0177 0.9446 0.6161 0.1428 0.2966 0.1934 219 TRP A CG 1644 C CD1 . TRP A 219 ? 1.0560 0.9553 0.6508 0.1668 0.2991 0.2245 219 TRP A CD1 1645 C CD2 . TRP A 219 ? 1.0465 0.9726 0.6434 0.1335 0.3159 0.2132 219 TRP A CD2 1646 N NE1 . TRP A 219 ? 1.1074 0.9817 0.7004 0.1716 0.3203 0.2641 219 TRP A NE1 1647 C CE2 . TRP A 219 ? 1.0995 0.9941 0.6938 0.1501 0.3297 0.2585 219 TRP A CE2 1648 C CE3 . TRP A 219 ? 1.0315 0.9800 0.6305 0.1149 0.3256 0.1991 219 TRP A CE3 1649 C CZ2 . TRP A 219 ? 1.1372 1.0252 0.7324 0.1450 0.3517 0.2919 219 TRP A CZ2 1650 C CZ3 . TRP A 219 ? 1.0671 1.0159 0.6647 0.1118 0.3458 0.2300 219 TRP A CZ3 1651 C CH2 . TRP A 219 ? 1.1186 1.0388 0.7150 0.1250 0.3581 0.2768 219 TRP A CH2 1652 N N . VAL A 220 ? 0.9287 0.7828 0.6156 0.0867 0.2943 0.1295 220 VAL A N 1653 C CA . VAL A 220 ? 0.9231 0.7745 0.6350 0.0655 0.3064 0.1277 220 VAL A CA 1654 C C . VAL A 220 ? 0.9702 0.7852 0.6896 0.0562 0.3206 0.1537 220 VAL A C 1655 O O . VAL A 220 ? 0.9965 0.7674 0.7239 0.0561 0.3187 0.1564 220 VAL A O 1656 C CB . VAL A 220 ? 0.8825 0.7378 0.6272 0.0540 0.2977 0.1032 220 VAL A CB 1657 C CG1 . VAL A 220 ? 0.8759 0.7472 0.6477 0.0346 0.3105 0.1052 220 VAL A CG1 1658 C CG2 . VAL A 220 ? 0.8472 0.7307 0.5892 0.0632 0.2881 0.0831 220 VAL A CG2 1659 N N . MET A 221 ? 0.9873 0.8191 0.7052 0.0478 0.3374 0.1719 221 MET A N 1660 C CA . MET A 221 ? 1.0373 0.8380 0.7651 0.0356 0.3551 0.2019 221 MET A CA 1661 C C . MET A 221 ? 1.0315 0.8642 0.7776 0.0151 0.3703 0.2082 221 MET A C 1662 O O . MET A 221 ? 1.0090 0.8885 0.7428 0.0226 0.3736 0.2023 221 MET A O 1663 C CB . MET A 221 ? 1.0855 0.8806 0.7814 0.0592 0.3644 0.2390 221 MET A CB 1664 C CG . MET A 221 ? 1.1567 0.8960 0.8647 0.0532 0.3847 0.2760 221 MET A CG 1665 S SD . MET A 221 ? 1.2030 0.8575 0.9295 0.0519 0.3814 0.2636 221 MET A SD 1666 C CE . MET A 221 ? 1.2143 0.8760 0.9028 0.1009 0.3725 0.2818 221 MET A CE 1667 N N . TRP A 222 ? 1.0568 0.8654 0.8336 -0.0119 0.3810 0.2177 222 TRP A N 1668 C CA . TRP A 222 ? 1.0625 0.9064 0.8588 -0.0322 0.3984 0.2330 222 TRP A CA 1669 C C . TRP A 222 ? 1.1155 0.9539 0.8936 -0.0255 0.4194 0.2772 222 TRP A C 1670 O O . TRP A 222 ? 1.1651 0.9502 0.9386 -0.0223 0.4266 0.3010 222 TRP A O 1671 C CB . TRP A 222 ? 1.0696 0.9038 0.9101 -0.0706 0.4004 0.2225 222 TRP A CB 1672 C CG . TRP A 222 ? 1.0112 0.8892 0.8743 -0.0773 0.3849 0.1886 222 TRP A CG 1673 C CD1 . TRP A 222 ? 0.9843 0.8492 0.8531 -0.0761 0.3656 0.1583 222 TRP A CD1 1674 C CD2 . TRP A 222 ? 0.9747 0.9232 0.8587 -0.0819 0.3901 0.1869 222 TRP A CD2 1675 N NE1 . TRP A 222 ? 0.9356 0.8616 0.8279 -0.0798 0.3581 0.1411 222 TRP A NE1 1676 C CE2 . TRP A 222 ? 0.9292 0.9053 0.8321 -0.0818 0.3737 0.1590 222 TRP A CE2 1677 C CE3 . TRP A 222 ? 0.9785 0.9743 0.8673 -0.0823 0.4092 0.2091 222 TRP A CE3 1678 C CZ2 . TRP A 222 ? 0.8923 0.9400 0.8205 -0.0796 0.3769 0.1568 222 TRP A CZ2 1679 C CZ3 . TRP A 222 ? 0.9397 1.0035 0.8530 -0.0802 0.4125 0.2028 222 TRP A CZ3 1680 C CH2 . TRP A 222 ? 0.9005 0.9887 0.8340 -0.0777 0.3969 0.1789 222 TRP A CH2 1681 N N . MET A 223 ? 1.1098 1.0049 0.8776 -0.0199 0.4317 0.2903 223 MET A N 1682 C CA . MET A 223 ? 1.1590 1.0680 0.9052 -0.0090 0.4518 0.3347 223 MET A CA 1683 C C . MET A 223 ? 1.1692 1.1257 0.9340 -0.0264 0.4732 0.3555 223 MET A C 1684 O O . MET A 223 ? 1.1323 1.1406 0.9013 -0.0254 0.4732 0.3340 223 MET A O 1685 C CB . MET A 223 ? 1.1525 1.1010 0.8493 0.0257 0.4458 0.3325 223 MET A CB 1686 C CG . MET A 223 ? 1.1309 1.0567 0.8091 0.0435 0.4223 0.3056 223 MET A CG 1687 S SD . MET A 223 ? 1.1634 1.1274 0.7880 0.0795 0.4197 0.3276 223 MET A SD 1688 C CE . MET A 223 ? 1.1667 1.2169 0.7633 0.0839 0.4347 0.3271 223 MET A CE 1689 N N . ARG A 224 ? 1.2252 1.1634 1.0033 -0.0406 0.4943 0.4002 224 ARG A N 1690 C CA . ARG A 224 ? 1.2437 1.2361 1.0352 -0.0534 0.5177 0.4304 224 ARG A CA 1691 C C . ARG A 224 ? 1.2662 1.3076 1.0112 -0.0192 0.5294 0.4605 224 ARG A C 1692 O O . ARG A 224 ? 1.3224 1.3496 1.0583 -0.0116 0.5456 0.5099 224 ARG A O 1693 C CB . ARG A 224 ? 1.2992 1.2492 1.1332 -0.0915 0.5372 0.4646 224 ARG A CB 1694 C CG . ARG A 224 ? 1.3265 1.3369 1.1812 -0.1099 0.5633 0.5014 224 ARG A CG 1695 C CD . ARG A 224 ? 1.2887 1.3560 1.1799 -0.1362 0.5593 0.4727 224 ARG A CD 1696 N NE . ARG A 224 ? 1.2990 1.3247 1.2376 -0.1818 0.5522 0.4518 224 ARG A NE 1697 C CZ . ARG A 224 ? 1.2705 1.3502 1.2498 -0.2128 0.5490 0.4321 224 ARG A CZ 1698 N NH1 . ARG A 224 ? 1.2341 1.4053 1.2152 -0.1988 0.5547 0.4348 224 ARG A NH1 1699 N NH2 . ARG A 224 ? 1.2830 1.3309 1.3014 -0.2569 0.5413 0.4089 224 ARG A NH2 1700 N N . GLY A 225 ? 1.2288 1.3292 0.9445 0.0020 0.5228 0.4300 225 GLY A N 1701 C CA . GLY A 225 ? 1.2483 1.4071 0.9135 0.0332 0.5300 0.4434 225 GLY A CA 1702 C C . GLY A 225 ? 1.2582 1.3946 0.8887 0.0567 0.5139 0.4436 225 GLY A C 1703 O O . GLY A 225 ? 1.2214 1.3532 0.8349 0.0660 0.4927 0.3980 225 GLY A O 1704 N N . ASP A 226 ? 1.3117 1.4375 0.9347 0.0672 0.5263 0.4991 226 ASP A N 1705 C CA . ASP A 226 ? 1.3299 1.4420 0.9241 0.0943 0.5147 0.5123 226 ASP A CA 1706 C C . ASP A 226 ? 1.3510 1.3635 0.9775 0.0858 0.5130 0.5278 226 ASP A C 1707 O O . ASP A 226 ? 1.3469 1.3338 0.9587 0.1053 0.4972 0.5192 226 ASP A O 1708 C CB . ASP A 226 ? 1.3840 1.5649 0.9427 0.1228 0.5324 0.5696 226 ASP A CB 1709 C CG . ASP A 226 ? 1.3674 1.6528 0.8757 0.1406 0.5253 0.5397 226 ASP A CG 1710 O OD1 . ASP A 226 ? 1.4066 1.7710 0.8858 0.1596 0.5419 0.5809 226 ASP A OD1 1711 O OD2 . ASP A 226 ? 1.3183 1.6079 0.8164 0.1349 0.5052 0.4746 226 ASP A OD2 1712 N N . GLN A 227 ? 1.3780 1.3380 1.0487 0.0555 0.5310 0.5485 227 GLN A N 1713 C CA . GLN A 227 ? 1.4150 1.2729 1.1187 0.0414 0.5358 0.5590 227 GLN A CA 1714 C C . GLN A 227 ? 1.3617 1.1766 1.0809 0.0261 0.5088 0.4953 227 GLN A C 1715 O O . GLN A 227 ? 1.3192 1.1461 1.0639 -0.0037 0.5012 0.4579 227 GLN A O 1716 C CB . GLN A 227 ? 1.4668 1.2865 1.2155 0.0047 0.5648 0.5938 227 GLN A CB 1717 N N . GLU A 228 ? 1.3653 1.1406 1.0689 0.0500 0.4954 0.4872 228 GLU A N 1718 C CA . GLU A 228 ? 1.3220 1.0575 1.0381 0.0402 0.4713 0.4327 228 GLU A CA 1719 C C . GLU A 228 ? 1.3585 1.0114 1.1197 0.0032 0.4824 0.4250 228 GLU A C 1720 O O . GLU A 228 ? 1.4339 1.0162 1.2062 0.0051 0.5044 0.4600 228 GLU A O 1721 C CB . GLU A 228 ? 1.3231 1.0468 1.0099 0.0785 0.4568 0.4318 228 GLU A CB 1722 C CG . GLU A 228 ? 1.2867 1.1003 0.9295 0.1078 0.4417 0.4272 228 GLU A CG 1723 C CD . GLU A 228 ? 1.2827 1.0990 0.9011 0.1413 0.4249 0.4236 228 GLU A CD 1724 O OE1 . GLU A 228 ? 1.2975 1.0445 0.9326 0.1444 0.4220 0.4166 228 GLU A OE1 1725 O OE2 . GLU A 228 ? 1.2667 1.1613 0.8489 0.1635 0.4150 0.4255 228 GLU A OE2 1726 N N . GLN A 229 ? 1.3121 0.9774 1.1003 -0.0304 0.4694 0.3795 229 GLN A N 1727 C CA . GLN A 229 ? 1.3442 0.9512 1.1757 -0.0739 0.4770 0.3614 229 GLN A CA 1728 C C . GLN A 229 ? 1.3754 0.9002 1.2072 -0.0662 0.4714 0.3404 229 GLN A C 1729 O O . GLN A 229 ? 1.3257 0.8641 1.1414 -0.0470 0.4465 0.3057 229 GLN A O 1730 C CB . GLN A 229 ? 1.2818 0.9462 1.1393 -0.1062 0.4616 0.3190 229 GLN A CB 1731 N N . GLN A 230 ? 1.4641 0.9018 1.3153 -0.0804 0.4980 0.3629 230 GLN A N 1732 C CA . GLN A 230 ? 1.5146 0.8611 1.3662 -0.0696 0.5013 0.3464 230 GLN A CA 1733 C C . GLN A 230 ? 1.4850 0.8237 1.3570 -0.1027 0.4811 0.2777 230 GLN A C 1734 O O . GLN A 230 ? 1.4773 0.7893 1.3353 -0.0805 0.4672 0.2491 230 GLN A O 1735 C CB . GLN A 230 ? 1.6318 0.8765 1.5042 -0.0795 0.5422 0.3875 230 GLN A CB 1736 N N . GLY A 231 ? 1.4682 0.8432 1.3730 -0.1542 0.4794 0.2537 231 GLY A N 1737 C CA . GLY A 231 ? 1.4463 0.8329 1.3736 -0.1909 0.4616 0.1910 231 GLY A CA 1738 C C . GLY A 231 ? 1.3443 0.8172 1.2563 -0.1708 0.4264 0.1584 231 GLY A C 1739 O O . GLY A 231 ? 1.3116 0.8301 1.2448 -0.2011 0.4107 0.1156 231 GLY A O 1740 N N . THR A 232 ? 1.2997 0.7996 1.1764 -0.1210 0.4154 0.1799 232 THR A N 1741 C CA . THR A 232 ? 1.2138 0.7825 1.0760 -0.0990 0.3862 0.1535 232 THR A CA 1742 C C . THR A 232 ? 1.2173 0.7521 1.0733 -0.0878 0.3718 0.1166 232 THR A C 1743 O O . THR A 232 ? 1.2745 0.7356 1.1169 -0.0677 0.3823 0.1253 232 THR A O 1744 C CB . THR A 232 ? 1.1762 0.7828 1.0032 -0.0559 0.3815 0.1836 232 THR A CB 1745 O OG1 . THR A 232 ? 1.1847 0.8213 1.0136 -0.0636 0.3982 0.2178 232 THR A OG1 1746 C CG2 . THR A 232 ? 1.0932 0.7667 0.9122 -0.0408 0.3566 0.1564 232 THR A CG2 1747 N N . HIS A 233 ? 1.1601 0.7533 1.0272 -0.0976 0.3501 0.0789 233 HIS A N 1748 C CA . HIS A 233 ? 1.1548 0.7356 1.0154 -0.0857 0.3346 0.0428 233 HIS A CA 1749 C C . HIS A 233 ? 1.0725 0.7234 0.9195 -0.0560 0.3109 0.0370 233 HIS A C 1750 O O . HIS A 233 ? 1.0163 0.7403 0.8789 -0.0662 0.3016 0.0313 233 HIS A O 1751 C CB . HIS A 233 ? 1.1793 0.7654 1.0690 -0.1305 0.3328 -0.0017 233 HIS A CB 1752 C CG . HIS A 233 ? 1.2798 0.7784 1.1840 -0.1634 0.3585 -0.0061 233 HIS A CG 1753 N ND1 . HIS A 233 ? 1.3579 0.7612 1.2508 -0.1514 0.3716 -0.0192 233 HIS A ND1 1754 C CD2 . HIS A 233 ? 1.3236 0.8122 1.2555 -0.2086 0.3769 0.0015 233 HIS A CD2 1755 C CE1 . HIS A 233 ? 1.4453 0.7739 1.3587 -0.1886 0.3989 -0.0204 233 HIS A CE1 1756 N NE2 . HIS A 233 ? 1.4264 0.8076 1.3645 -0.2263 0.4017 -0.0077 233 HIS A NE2 1757 N N . ARG A 234 ? 1.0710 0.6999 0.8916 -0.0182 0.3040 0.0416 234 ARG A N 1758 C CA . ARG A 234 ? 1.0031 0.6899 0.8130 0.0070 0.2835 0.0351 234 ARG A CA 1759 C C . ARG A 234 ? 0.9849 0.6975 0.8074 0.0010 0.2686 -0.0026 234 ARG A C 1760 O O . ARG A 234 ? 1.0336 0.6998 0.8548 -0.0023 0.2721 -0.0241 234 ARG A O 1761 C CB . ARG A 234 ? 1.0096 0.6771 0.7881 0.0466 0.2818 0.0564 234 ARG A CB 1762 N N . GLY A 235 ? 0.9209 0.7079 0.7556 0.0013 0.2548 -0.0097 235 GLY A N 1763 C CA . GLY A 235 ? 0.8978 0.7301 0.7442 -0.0004 0.2401 -0.0393 235 GLY A CA 1764 C C . GLY A 235 ? 0.8765 0.7144 0.7042 0.0342 0.2280 -0.0403 235 GLY A C 1765 O O . GLY A 235 ? 0.8933 0.6897 0.6979 0.0576 0.2313 -0.0236 235 GLY A O 1766 N N . ASP A 236 ? 0.8402 0.7401 0.6795 0.0380 0.2146 -0.0567 236 ASP A N 1767 C CA . ASP A 236 ? 0.8153 0.7358 0.6423 0.0685 0.2031 -0.0555 236 ASP A CA 1768 C C . ASP A 236 ? 0.7614 0.7224 0.5939 0.0807 0.2004 -0.0301 236 ASP A C 1769 O O . ASP A 236 ? 0.7345 0.7309 0.5871 0.0686 0.2048 -0.0208 236 ASP A O 1770 C CB . ASP A 236 ? 0.8085 0.7819 0.6454 0.0677 0.1920 -0.0835 236 ASP A CB 1771 C CG . ASP A 236 ? 0.8746 0.8018 0.7032 0.0553 0.1967 -0.1192 236 ASP A CG 1772 O OD1 . ASP A 236 ? 0.9225 0.7751 0.7303 0.0712 0.2053 -0.1186 236 ASP A OD1 1773 O OD2 . ASP A 236 ? 0.8850 0.8536 0.7288 0.0300 0.1935 -0.1485 236 ASP A OD2 1774 N N . PHE A 237 ? 0.7519 0.7079 0.5677 0.1041 0.1954 -0.0198 237 PHE A N 1775 C CA . PHE A 237 ? 0.7102 0.7018 0.5329 0.1116 0.1940 -0.0032 237 PHE A CA 1776 C C . PHE A 237 ? 0.6742 0.7302 0.5220 0.1147 0.1878 -0.0053 237 PHE A C 1777 O O . PHE A 237 ? 0.6727 0.7538 0.5186 0.1267 0.1778 -0.0157 237 PHE A O 1778 C CB . PHE A 237 ? 0.7134 0.6949 0.5139 0.1304 0.1892 0.0051 237 PHE A CB 1779 C CG . PHE A 237 ? 0.7467 0.6870 0.5239 0.1304 0.1968 0.0165 237 PHE A CG 1780 C CD1 . PHE A 237 ? 0.7415 0.6898 0.5151 0.1229 0.2029 0.0257 237 PHE A CD1 1781 C CD2 . PHE A 237 ? 0.7960 0.6905 0.5549 0.1393 0.2007 0.0186 237 PHE A CD2 1782 C CE1 . PHE A 237 ? 0.7679 0.6938 0.5174 0.1241 0.2095 0.0369 237 PHE A CE1 1783 C CE2 . PHE A 237 ? 0.8263 0.6930 0.5646 0.1434 0.2096 0.0372 237 PHE A CE2 1784 C CZ . PHE A 237 ? 0.8065 0.6963 0.5388 0.1357 0.2123 0.0464 237 PHE A CZ 1785 N N . LEU A 238 ? 0.6488 0.7352 0.5203 0.1074 0.1959 0.0073 238 LEU A N 1786 C CA . LEU A 238 ? 0.6184 0.7731 0.5178 0.1140 0.1941 0.0153 238 LEU A CA 1787 C C . LEU A 238 ? 0.5972 0.7616 0.5107 0.1241 0.2031 0.0374 238 LEU A C 1788 O O . LEU A 238 ? 0.6046 0.7349 0.5170 0.1184 0.2163 0.0445 238 LEU A O 1789 C CB . LEU A 238 ? 0.6141 0.8089 0.5366 0.1010 0.1997 0.0168 238 LEU A CB 1790 C CG . LEU A 238 ? 0.6420 0.8255 0.5569 0.0796 0.1950 -0.0084 238 LEU A CG 1791 C CD1 . LEU A 238 ? 0.6285 0.8755 0.5720 0.0650 0.2000 -0.0033 238 LEU A CD1 1792 C CD2 . LEU A 238 ? 0.6575 0.8478 0.5584 0.0823 0.1815 -0.0361 238 LEU A CD2 1793 N N . PRO A 239 ? 0.5782 0.7881 0.5051 0.1378 0.1983 0.0469 239 PRO A N 1794 C CA . PRO A 239 ? 0.5691 0.7791 0.5121 0.1431 0.2095 0.0667 239 PRO A CA 1795 C C . PRO A 239 ? 0.5647 0.7902 0.5413 0.1460 0.2311 0.0908 239 PRO A C 1796 O O . PRO A 239 ? 0.5562 0.8291 0.5509 0.1509 0.2330 0.1004 239 PRO A O 1797 C CB . PRO A 239 ? 0.5528 0.8148 0.5032 0.1572 0.1988 0.0732 239 PRO A CB 1798 C CG . PRO A 239 ? 0.5466 0.8584 0.4973 0.1624 0.1878 0.0632 239 PRO A CG 1799 C CD . PRO A 239 ? 0.5702 0.8340 0.4980 0.1476 0.1841 0.0381 239 PRO A CD 1800 N N . ASN A 240 ? 0.5772 0.7652 0.5622 0.1428 0.2488 0.0993 240 ASN A N 1801 C CA . ASN A 240 ? 0.5828 0.7780 0.6043 0.1523 0.2755 0.1268 240 ASN A CA 1802 C C . ASN A 240 ? 0.5811 0.7977 0.6277 0.1607 0.2826 0.1486 240 ASN A C 1803 O O . ASN A 240 ? 0.5765 0.7947 0.6088 0.1542 0.2675 0.1374 240 ASN A O 1804 C CB . ASN A 240 ? 0.6126 0.7420 0.6286 0.1420 0.2973 0.1179 240 ASN A CB 1805 C CG . ASN A 240 ? 0.6173 0.7369 0.6177 0.1370 0.2965 0.1073 240 ASN A CG 1806 O OD1 . ASN A 240 ? 0.6023 0.7693 0.6136 0.1433 0.2907 0.1168 240 ASN A OD1 1807 N ND2 . ASN A 240 ? 0.6417 0.7077 0.6172 0.1237 0.3031 0.0873 240 ASN A ND2 1808 N N . ALA A 241 ? 0.5873 0.8241 0.6737 0.1770 0.3079 0.1838 241 ALA A N 1809 C CA . ALA A 241 ? 0.5920 0.8487 0.7097 0.1862 0.3209 0.2135 241 ALA A CA 1810 C C . ALA A 241 ? 0.6259 0.8103 0.7434 0.1644 0.3357 0.1992 241 ALA A C 1811 O O . ALA A 241 ? 0.6268 0.8247 0.7550 0.1585 0.3334 0.2070 241 ALA A O 1812 C CB . ALA A 241 ? 0.5986 0.8933 0.7615 0.2135 0.3492 0.2617 241 ALA A CB 1813 N N . ASP A 242 ? 0.6573 0.7725 0.7621 0.1503 0.3509 0.1762 242 ASP A N 1814 C CA . ASP A 242 ? 0.7008 0.7497 0.8043 0.1243 0.3680 0.1543 242 ASP A CA 1815 C C . ASP A 242 ? 0.6949 0.7383 0.7549 0.0986 0.3391 0.1137 242 ASP A C 1816 O O . ASP A 242 ? 0.7298 0.7261 0.7743 0.0736 0.3479 0.0832 242 ASP A O 1817 C CB . ASP A 242 ? 0.7474 0.7290 0.8589 0.1235 0.4034 0.1470 242 ASP A CB 1818 C CG . ASP A 242 ? 0.7374 0.7229 0.8230 0.1319 0.3947 0.1353 242 ASP A CG 1819 O OD1 . ASP A 242 ? 0.7116 0.7188 0.7602 0.1228 0.3622 0.1135 242 ASP A OD1 1820 O OD2 . ASP A 242 ? 0.7641 0.7307 0.8686 0.1490 0.4234 0.1505 242 ASP A OD2 1821 N N . GLU A 243 ? 0.6566 0.7535 0.6973 0.1068 0.3064 0.1139 243 GLU A N 1822 C CA . GLU A 243 ? 0.6501 0.7546 0.6520 0.0928 0.2791 0.0858 243 GLU A CA 1823 C C . GLU A 243 ? 0.6655 0.7314 0.6303 0.0814 0.2757 0.0567 243 GLU A C 1824 O O . GLU A 243 ? 0.6847 0.7394 0.6269 0.0612 0.2710 0.0330 243 GLU A O 1825 C CB . GLU A 243 ? 0.6657 0.7789 0.6769 0.0723 0.2797 0.0808 243 GLU A CB 1826 C CG . GLU A 243 ? 0.6503 0.8159 0.6934 0.0849 0.2779 0.1122 243 GLU A CG 1827 C CD . GLU A 243 ? 0.6680 0.8571 0.7155 0.0627 0.2718 0.1059 243 GLU A CD 1828 O OE1 . GLU A 243 ? 0.6439 0.8945 0.6957 0.0758 0.2552 0.1221 243 GLU A OE1 1829 O OE2 . GLU A 243 ? 0.7086 0.8614 0.7549 0.0308 0.2838 0.0823 243 GLU A OE2 1830 N N . THR A 244 ? 0.6587 0.7146 0.6186 0.0937 0.2788 0.0608 244 THR A N 1831 C CA . THR A 244 ? 0.6712 0.7007 0.5965 0.0872 0.2743 0.0408 244 THR A CA 1832 C C . THR A 244 ? 0.6489 0.6985 0.5630 0.1009 0.2571 0.0469 244 THR A C 1833 O O . THR A 244 ? 0.6258 0.7121 0.5587 0.1140 0.2502 0.0618 244 THR A O 1834 C CB . THR A 244 ? 0.7010 0.6888 0.6334 0.0822 0.3031 0.0356 244 THR A CB 1835 O OG1 . THR A 244 ? 0.6932 0.6919 0.6602 0.1007 0.3191 0.0622 244 THR A OG1 1836 C CG2 . THR A 244 ? 0.7377 0.6931 0.6766 0.0623 0.3231 0.0180 244 THR A CG2 1837 N N . TRP A 245 ? 0.6622 0.6906 0.5464 0.0961 0.2518 0.0347 245 TRP A N 1838 C CA . TRP A 245 ? 0.6539 0.6897 0.5273 0.1028 0.2380 0.0363 245 TRP A CA 1839 C C . TRP A 245 ? 0.6589 0.6855 0.5396 0.0998 0.2502 0.0407 245 TRP A C 1840 O O . TRP A 245 ? 0.6774 0.6820 0.5557 0.0942 0.2675 0.0392 245 TRP A O 1841 C CB . TRP A 245 ? 0.6691 0.6914 0.5063 0.1031 0.2228 0.0268 245 TRP A CB 1842 C CG . TRP A 245 ? 0.6613 0.7092 0.4939 0.1116 0.2076 0.0262 245 TRP A CG 1843 C CD1 . TRP A 245 ? 0.6693 0.7287 0.4895 0.1068 0.2036 0.0216 245 TRP A CD1 1844 C CD2 . TRP A 245 ? 0.6453 0.7205 0.4863 0.1256 0.1949 0.0290 245 TRP A CD2 1845 N NE1 . TRP A 245 ? 0.6573 0.7505 0.4797 0.1187 0.1895 0.0257 245 TRP A NE1 1846 C CE2 . TRP A 245 ? 0.6443 0.7451 0.4781 0.1322 0.1846 0.0297 245 TRP A CE2 1847 C CE3 . TRP A 245 ? 0.6371 0.7259 0.4903 0.1317 0.1913 0.0282 245 TRP A CE3 1848 C CZ2 . TRP A 245 ? 0.6301 0.7652 0.4675 0.1490 0.1725 0.0319 245 TRP A CZ2 1849 C CZ3 . TRP A 245 ? 0.6293 0.7516 0.4839 0.1460 0.1789 0.0254 245 TRP A CZ3 1850 C CH2 . TRP A 245 ? 0.6266 0.7694 0.4730 0.1567 0.1703 0.0284 245 TRP A CH2 1851 N N . TYR A 246 ? 0.6468 0.6961 0.5367 0.1021 0.2416 0.0437 246 TYR A N 1852 C CA . TYR A 246 ? 0.6520 0.7060 0.5510 0.0948 0.2496 0.0473 246 TYR A CA 1853 C C . TYR A 246 ? 0.6698 0.7029 0.5478 0.0850 0.2377 0.0356 246 TYR A C 1854 O O . TYR A 246 ? 0.6730 0.7068 0.5418 0.0891 0.2230 0.0259 246 TYR A O 1855 C CB . TYR A 246 ? 0.6299 0.7423 0.5651 0.1013 0.2529 0.0607 246 TYR A CB 1856 C CG . TYR A 246 ? 0.6369 0.7759 0.5857 0.0909 0.2579 0.0639 246 TYR A CG 1857 C CD1 . TYR A 246 ? 0.6429 0.7882 0.6078 0.0938 0.2791 0.0794 246 TYR A CD1 1858 C CD2 . TYR A 246 ? 0.6429 0.8028 0.5897 0.0766 0.2431 0.0492 246 TYR A CD2 1859 C CE1 . TYR A 246 ? 0.6459 0.8283 0.6262 0.0830 0.2835 0.0848 246 TYR A CE1 1860 C CE2 . TYR A 246 ? 0.6485 0.8404 0.6110 0.0599 0.2474 0.0498 246 TYR A CE2 1861 C CZ . TYR A 246 ? 0.6467 0.8551 0.6267 0.0633 0.2665 0.0699 246 TYR A CZ 1862 O OH . TYR A 246 ? 0.6530 0.9053 0.6512 0.0458 0.2705 0.0727 246 TYR A OH 1863 N N . LEU A 247 ? 0.6884 0.7004 0.5602 0.0733 0.2474 0.0379 247 LEU A N 1864 C CA . LEU A 247 ? 0.7166 0.6990 0.5740 0.0612 0.2431 0.0313 247 LEU A CA 1865 C C . LEU A 247 ? 0.7295 0.7166 0.5994 0.0439 0.2565 0.0387 247 LEU A C 1866 O O . LEU A 247 ? 0.7275 0.7183 0.5985 0.0463 0.2708 0.0499 247 LEU A O 1867 C CB . LEU A 247 ? 0.7424 0.6793 0.5653 0.0688 0.2413 0.0332 247 LEU A CB 1868 C CG . LEU A 247 ? 0.7845 0.6774 0.5919 0.0634 0.2419 0.0338 247 LEU A CG 1869 C CD1 . LEU A 247 ? 0.7934 0.6760 0.5988 0.0711 0.2299 0.0191 247 LEU A CD1 1870 C CD2 . LEU A 247 ? 0.8096 0.6751 0.5868 0.0734 0.2479 0.0492 247 LEU A CD2 1871 N N . GLN A 248 ? 0.7473 0.7358 0.6272 0.0249 0.2534 0.0301 248 GLN A N 1872 C CA . GLN A 248 ? 0.7643 0.7611 0.6584 0.0028 0.2658 0.0375 248 GLN A CA 1873 C C . GLN A 248 ? 0.8154 0.7524 0.6942 -0.0136 0.2707 0.0364 248 GLN A C 1874 O O . GLN A 248 ? 0.8417 0.7397 0.7091 -0.0137 0.2635 0.0223 248 GLN A O 1875 C CB . GLN A 248 ? 0.7466 0.8142 0.6758 -0.0128 0.2628 0.0312 248 GLN A CB 1876 C CG . GLN A 248 ? 0.7694 0.8422 0.7037 -0.0325 0.2497 0.0038 248 GLN A CG 1877 C CD . GLN A 248 ? 0.7636 0.9206 0.7318 -0.0569 0.2476 -0.0040 248 GLN A CD 1878 O OE1 . GLN A 248 ? 0.7252 0.9566 0.7160 -0.0447 0.2505 0.0140 248 GLN A OE1 1879 N NE2 . GLN A 248 ? 0.8031 0.9516 0.7763 -0.0915 0.2444 -0.0312 248 GLN A NE2 1880 N N . ALA A 249 ? 0.8347 0.7639 0.7144 -0.0249 0.2864 0.0541 249 ALA A N 1881 C CA . ALA A 249 ? 0.8896 0.7636 0.7606 -0.0414 0.2969 0.0623 249 ALA A CA 1882 C C . ALA A 249 ? 0.9069 0.8077 0.8081 -0.0765 0.3080 0.0654 249 ALA A C 1883 O O . ALA A 249 ? 0.8805 0.8377 0.7977 -0.0780 0.3148 0.0771 249 ALA A O 1884 C CB . ALA A 249 ? 0.9053 0.7496 0.7460 -0.0218 0.3070 0.0871 249 ALA A CB 1885 N N . THR A 250 ? 0.9576 0.8177 0.8682 -0.1051 0.3122 0.0542 250 THR A N 1886 C CA . THR A 250 ? 0.9822 0.8707 0.9256 -0.1478 0.3220 0.0520 250 THR A CA 1887 C C . THR A 250 ? 1.0502 0.8721 0.9921 -0.1675 0.3437 0.0732 250 THR A C 1888 O O . THR A 250 ? 1.0965 0.8367 1.0173 -0.1555 0.3499 0.0784 250 THR A O 1889 C CB . THR A 250 ? 0.9916 0.9074 0.9583 -0.1790 0.3100 0.0118 250 THR A CB 1890 O OG1 . THR A 250 ? 1.0422 0.8755 0.9916 -0.1780 0.3088 -0.0102 250 THR A OG1 1891 C CG2 . THR A 250 ? 0.9249 0.9284 0.9000 -0.1603 0.2915 0.0003 250 THR A CG2 1892 N N . LEU A 251 ? 1.0582 0.9198 1.0246 -0.1950 0.3573 0.0903 251 LEU A N 1893 C CA . LEU A 251 ? 1.1272 0.9355 1.1016 -0.2214 0.3809 0.1137 251 LEU A CA 1894 C C . LEU A 251 ? 1.1520 1.0022 1.1708 -0.2790 0.3872 0.0990 251 LEU A C 1895 O O . LEU A 251 ? 1.1067 1.0551 1.1482 -0.2887 0.3824 0.1002 251 LEU A O 1896 C CB . LEU A 251 ? 1.1211 0.9412 1.0777 -0.1965 0.3959 0.1588 251 LEU A CB 1897 N N . ASP A 252 ? 1.2293 1.0062 1.2619 -0.3174 0.4000 0.0848 252 ASP A N 1898 C CA . ASP A 252 ? 1.2672 1.0777 1.3436 -0.3826 0.4071 0.0635 252 ASP A CA 1899 C C . ASP A 252 ? 1.3087 1.1146 1.4055 -0.4084 0.4344 0.1065 252 ASP A C 1900 O O . ASP A 252 ? 1.2635 1.1633 1.3752 -0.4094 0.4353 0.1298 252 ASP A O 1901 C CB . ASP A 252 ? 1.3431 1.0710 1.4264 -0.4174 0.4105 0.0174 252 ASP A CB 1902 C CG . ASP A 252 ? 1.3814 1.1615 1.5099 -0.4914 0.4125 -0.0205 252 ASP A CG 1903 O OD1 . ASP A 252 ? 1.4705 1.1818 1.6220 -0.5390 0.4384 -0.0194 252 ASP A OD1 1904 O OD2 . ASP A 252 ? 1.3274 1.2221 1.4699 -0.5031 0.3895 -0.0497 252 ASP A OD2 1905 N N . GLY A 256 ? 1.2397 1.6226 1.5362 -0.5714 0.4726 0.1991 256 GLY A N 1906 C CA . GLY A 256 ? 1.2821 1.5602 1.5514 -0.5486 0.4963 0.2404 256 GLY A CA 1907 C C . GLY A 256 ? 1.2449 1.5918 1.5044 -0.5056 0.5102 0.2912 256 GLY A C 1908 O O . GLY A 256 ? 1.2248 1.6920 1.5195 -0.5230 0.5160 0.3067 256 GLY A O 1909 N N . GLU A 257 ? 1.2397 1.5166 1.4511 -0.4495 0.5166 0.3157 257 GLU A N 1910 C CA . GLU A 257 ? 1.2099 1.5421 1.4012 -0.4028 0.5307 0.3563 257 GLU A CA 1911 C C . GLU A 257 ? 1.1660 1.4579 1.3022 -0.3345 0.5183 0.3475 257 GLU A C 1912 O O . GLU A 257 ? 1.1938 1.3917 1.2931 -0.3141 0.5200 0.3541 257 GLU A O 1913 C CB . GLU A 257 ? 1.2734 1.5745 1.4667 -0.4175 0.5612 0.4059 257 GLU A CB 1914 N N . GLU A 258 ? 1.1025 1.4695 1.2359 -0.3001 0.5079 0.3345 258 GLU A N 1915 C CA . GLU A 258 ? 1.0615 1.3949 1.1505 -0.2432 0.4953 0.3175 258 GLU A CA 1916 C C . GLU A 258 ? 1.0554 1.4037 1.1084 -0.1953 0.5127 0.3409 258 GLU A C 1917 O O . GLU A 258 ? 1.0428 1.3435 1.0527 -0.1562 0.5060 0.3281 258 GLU A O 1918 C CB . GLU A 258 ? 1.0054 1.3965 1.1118 -0.2310 0.4765 0.2882 258 GLU A CB 1919 C CG . GLU A 258 ? 0.9863 1.5034 1.1413 -0.2476 0.4833 0.2994 258 GLU A CG 1920 C CD . GLU A 258 ? 1.0003 1.5545 1.1999 -0.3095 0.4710 0.2808 258 GLU A CD 1921 O OE1 . GLU A 258 ? 0.9850 1.5125 1.1829 -0.3177 0.4488 0.2461 258 GLU A OE1 1922 O OE2 . GLU A 258 ? 1.0232 1.6393 1.2599 -0.3519 0.4840 0.2990 258 GLU A OE2 1923 N N . ALA A 259 ? 1.0684 1.4882 1.1388 -0.2004 0.5354 0.3723 259 ALA A N 1924 C CA . ALA A 259 ? 1.0703 1.5164 1.1068 -0.1566 0.5551 0.3909 259 ALA A CA 1925 C C . ALA A 259 ? 1.1120 1.4902 1.1035 -0.1455 0.5621 0.4087 259 ALA A C 1926 O O . ALA A 259 ? 1.1589 1.5338 1.1601 -0.1708 0.5780 0.4447 259 ALA A O 1927 C CB . ALA A 259 ? 1.0767 1.6267 1.1460 -0.1645 0.5791 0.4219 259 ALA A CB 1928 N N . GLY A 260 ? 1.0974 1.4281 1.0422 -0.1082 0.5512 0.3861 260 GLY A N 1929 C CA . GLY A 260 ? 1.1331 1.4185 1.0314 -0.0908 0.5558 0.4024 260 GLY A CA 1930 C C . GLY A 260 ? 1.1223 1.3334 0.9889 -0.0750 0.5327 0.3750 260 GLY A C 1931 O O . GLY A 260 ? 1.1313 1.3334 0.9510 -0.0447 0.5325 0.3727 260 GLY A O 1932 N N . LEU A 261 ? 1.1047 1.2723 0.9965 -0.0965 0.5133 0.3532 261 LEU A N 1933 C CA . LEU A 261 ? 1.0952 1.1957 0.9617 -0.0827 0.4915 0.3287 261 LEU A CA 1934 C C . LEU A 261 ? 1.0441 1.1574 0.8958 -0.0548 0.4768 0.2897 261 LEU A C 1935 O O . LEU A 261 ? 1.0132 1.1754 0.8874 -0.0517 0.4805 0.2778 261 LEU A O 1936 C CB . LEU A 261 ? 1.1110 1.1530 1.0066 -0.1164 0.4801 0.3216 261 LEU A CB 1937 C CG . LEU A 261 ? 1.1031 1.1740 1.0518 -0.1590 0.4788 0.3112 261 LEU A CG 1938 C CD1 . LEU A 261 ? 1.0459 1.1572 1.0078 -0.1499 0.4600 0.2748 261 LEU A CD1 1939 C CD2 . LEU A 261 ? 1.1490 1.1477 1.1170 -0.1957 0.4774 0.3093 261 LEU A CD2 1940 N N . ALA A 262 ? 1.0406 1.1117 0.8568 -0.0339 0.4625 0.2737 262 ALA A N 1941 C CA . ALA A 262 ? 1.0039 1.0785 0.8036 -0.0097 0.4512 0.2383 262 ALA A CA 1942 C C . ALA A 262 ? 0.9921 1.0143 0.7799 -0.0055 0.4276 0.2189 262 ALA A C 1943 O O . ALA A 262 ? 1.0222 1.0058 0.7961 -0.0080 0.4229 0.2345 262 ALA A O 1944 C CB . ALA A 262 ? 1.0184 1.1213 0.7773 0.0160 0.4644 0.2346 262 ALA A CB 1945 N N . CYS A 263 ? 0.9532 0.9761 0.7480 0.0039 0.4155 0.1889 263 CYS A N 1946 C CA . CYS A 263 ? 0.9397 0.9240 0.7222 0.0110 0.3939 0.1697 263 CYS A CA 1947 C C . CYS A 263 ? 0.9432 0.9293 0.6848 0.0330 0.3921 0.1553 263 CYS A C 1948 O O . CYS A 263 ? 0.9314 0.9378 0.6691 0.0434 0.4002 0.1354 263 CYS A O 1949 C CB . CYS A 263 ? 0.8981 0.8881 0.7125 0.0074 0.3817 0.1487 263 CYS A CB 1950 S SG . CYS A 263 ? 0.8889 0.8393 0.6919 0.0152 0.3560 0.1280 263 CYS A SG 1951 N N . ARG A 264 ? 0.9659 0.9330 0.6785 0.0395 0.3837 0.1654 264 ARG A N 1952 C CA . ARG A 264 ? 0.9729 0.9564 0.6457 0.0558 0.3790 0.1514 264 ARG A CA 1953 C C . ARG A 264 ? 0.9490 0.9108 0.6208 0.0608 0.3569 0.1315 264 ARG A C 1954 O O . ARG A 264 ? 0.9458 0.8756 0.6315 0.0586 0.3456 0.1410 264 ARG A O 1955 C CB . ARG A 264 ? 1.0165 1.0170 0.6565 0.0647 0.3855 0.1825 264 ARG A CB 1956 C CG . ARG A 264 ? 1.0332 1.0817 0.6296 0.0774 0.3862 0.1669 264 ARG A CG 1957 C CD . ARG A 264 ? 1.0750 1.1499 0.6396 0.0918 0.3868 0.2034 264 ARG A CD 1958 N NE . ARG A 264 ? 1.1009 1.2442 0.6218 0.1005 0.3898 0.1890 264 ARG A NE 1959 C CZ . ARG A 264 ? 1.1348 1.3273 0.6347 0.1039 0.4087 0.2009 264 ARG A CZ 1960 N NH1 . ARG A 264 ? 1.1460 1.3266 0.6675 0.0993 0.4270 0.2322 264 ARG A NH1 1961 N NH2 . ARG A 264 ? 1.1569 1.4186 0.6141 0.1098 0.4096 0.1795 264 ARG A NH2 1962 N N . VAL A 265 ? 0.9378 0.9169 0.5941 0.0660 0.3531 0.1020 265 VAL A N 1963 C CA . VAL A 265 ? 0.9144 0.8827 0.5715 0.0691 0.3336 0.0834 265 VAL A CA 1964 C C . VAL A 265 ? 0.9329 0.9351 0.5516 0.0744 0.3274 0.0695 265 VAL A C 1965 O O . VAL A 265 ? 0.9473 0.9740 0.5497 0.0697 0.3383 0.0450 265 VAL A O 1966 C CB . VAL A 265 ? 0.8802 0.8373 0.5691 0.0643 0.3345 0.0594 265 VAL A CB 1967 C CG1 . VAL A 265 ? 0.8588 0.8101 0.5499 0.0667 0.3156 0.0443 265 VAL A CG1 1968 C CG2 . VAL A 265 ? 0.8593 0.8047 0.5863 0.0587 0.3384 0.0733 265 VAL A CG2 1969 N N . LYS A 266 ? 0.9371 0.9450 0.5418 0.0843 0.3112 0.0837 266 LYS A N 1970 C CA . LYS A 266 ? 0.9474 1.0026 0.5206 0.0882 0.3005 0.0708 266 LYS A CA 1971 C C . LYS A 266 ? 0.9165 0.9645 0.5059 0.0833 0.2846 0.0465 266 LYS A C 1972 O O . LYS A 266 ? 0.8922 0.9060 0.5067 0.0885 0.2758 0.0557 266 LYS A O 1973 C CB . LYS A 266 ? 0.9757 1.0567 0.5242 0.1081 0.2947 0.1090 266 LYS A CB 1974 C CG . LYS A 266 ? 1.0141 1.1176 0.5420 0.1152 0.3115 0.1396 266 LYS A CG 1975 C CD . LYS A 266 ? 1.0468 1.1790 0.5526 0.1409 0.3083 0.1845 266 LYS A CD 1976 C CE . LYS A 266 ? 1.0884 1.2498 0.5748 0.1502 0.3274 0.2228 266 LYS A CE 1977 N NZ . LYS A 266 ? 1.1031 1.3501 0.5529 0.1450 0.3300 0.2010 266 LYS A NZ 1978 N N . HIS A 267 ? 0.9210 1.0045 0.4966 0.0709 0.2824 0.0137 267 HIS A N 1979 C CA . HIS A 267 ? 0.8970 0.9837 0.4873 0.0629 0.2689 -0.0074 267 HIS A CA 1980 C C . HIS A 267 ? 0.9213 1.0687 0.4845 0.0472 0.2644 -0.0373 267 HIS A C 1981 O O . HIS A 267 ? 0.9557 1.1322 0.4929 0.0377 0.2761 -0.0551 267 HIS A O 1982 C CB . HIS A 267 ? 0.8719 0.9109 0.5002 0.0525 0.2793 -0.0254 267 HIS A CB 1983 C CG . HIS A 267 ? 0.8419 0.8760 0.4945 0.0512 0.2654 -0.0296 267 HIS A CG 1984 N ND1 . HIS A 267 ? 0.8459 0.8985 0.5020 0.0333 0.2641 -0.0577 267 HIS A ND1 1985 C CD2 . HIS A 267 ? 0.8105 0.8275 0.4851 0.0641 0.2536 -0.0102 267 HIS A CD2 1986 C CE1 . HIS A 267 ? 0.8162 0.8659 0.4969 0.0373 0.2520 -0.0500 267 HIS A CE1 1987 N NE2 . HIS A 267 ? 0.7948 0.8252 0.4851 0.0575 0.2450 -0.0226 267 HIS A NE2 1988 N N . SER A 268 ? 0.9075 1.0810 0.4769 0.0427 0.2476 -0.0447 268 SER A N 1989 C CA . SER A 268 ? 0.9300 1.1710 0.4791 0.0209 0.2407 -0.0764 268 SER A CA 1990 C C . SER A 268 ? 0.9529 1.1707 0.5103 -0.0121 0.2595 -0.1272 268 SER A C 1991 O O . SER A 268 ? 0.9897 1.2600 0.5224 -0.0365 0.2615 -0.1637 268 SER A O 1992 C CB . SER A 268 ? 0.9076 1.1819 0.4694 0.0231 0.2196 -0.0692 268 SER A CB 1993 O OG . SER A 268 ? 0.8727 1.0872 0.4748 0.0223 0.2211 -0.0688 268 SER A OG 1994 N N . SER A 269 ? 0.9374 1.0790 0.5299 -0.0121 0.2753 -0.1294 269 SER A N 1995 C CA . SER A 269 ? 0.9660 1.0668 0.5750 -0.0366 0.2997 -0.1709 269 SER A CA 1996 C C . SER A 269 ? 1.0118 1.1078 0.5956 -0.0415 0.3232 -0.1954 269 SER A C 1997 O O . SER A 269 ? 1.0586 1.1449 0.6378 -0.0673 0.3424 -0.2431 269 SER A O 1998 C CB . SER A 269 ? 0.9355 0.9667 0.5918 -0.0262 0.3112 -0.1544 269 SER A CB 1999 O OG . SER A 269 ? 0.9104 0.9168 0.5726 -0.0006 0.3154 -0.1215 269 SER A OG 2000 N N . LEU A 270 ? 1.0054 1.1071 0.5739 -0.0179 0.3239 -0.1640 270 LEU A N 2001 C CA . LEU A 270 ? 1.0446 1.1451 0.5918 -0.0164 0.3476 -0.1787 270 LEU A CA 2002 C C . LEU A 270 ? 1.0953 1.2696 0.5937 -0.0333 0.3470 -0.2129 270 LEU A C 2003 O O . LEU A 270 ? 1.1365 1.3166 0.6133 -0.0362 0.3691 -0.2374 270 LEU A O 2004 C CB . LEU A 270 ? 1.0220 1.1138 0.5713 0.0107 0.3485 -0.1302 270 LEU A CB 2005 C CG . LEU A 270 ? 0.9808 1.0148 0.5755 0.0250 0.3499 -0.0993 270 LEU A CG 2006 C CD1 . LEU A 270 ? 0.9634 1.0029 0.5566 0.0432 0.3427 -0.0529 270 LEU A CD1 2007 C CD2 . LEU A 270 ? 0.9950 0.9814 0.6170 0.0252 0.3795 -0.1161 270 LEU A CD2 2008 N N . GLY A 271 ? 1.0940 1.3346 0.5750 -0.0431 0.3221 -0.2145 271 GLY A N 2009 C CA . GLY A 271 ? 1.1410 1.4743 0.5766 -0.0628 0.3174 -0.2491 271 GLY A CA 2010 C C . GLY A 271 ? 1.1567 1.5561 0.5519 -0.0404 0.3168 -0.2197 271 GLY A C 2011 O O . GLY A 271 ? 1.2051 1.6716 0.5610 -0.0545 0.3246 -0.2547 271 GLY A O 2012 N N . GLY A 272 ? 1.1216 1.5034 0.5269 -0.0068 0.3094 -0.1560 272 GLY A N 2013 C CA . GLY A 272 ? 1.1387 1.5759 0.5126 0.0175 0.3114 -0.1147 272 GLY A CA 2014 C C . GLY A 272 ? 1.1382 1.5174 0.5238 0.0316 0.3346 -0.0941 272 GLY A C 2015 O O . GLY A 272 ? 1.1287 1.5031 0.5176 0.0560 0.3344 -0.0380 272 GLY A O 2016 N N . GLN A 273 ? 1.1545 1.4901 0.5487 0.0162 0.3572 -0.1388 273 GLN A N 2017 C CA . GLN A 273 ? 1.1550 1.4470 0.5624 0.0294 0.3815 -0.1226 273 GLN A CA 2018 C C . GLN A 273 ? 1.1038 1.3137 0.5620 0.0398 0.3797 -0.0887 273 GLN A C 2019 O O . GLN A 273 ? 1.0874 1.2394 0.5781 0.0314 0.3857 -0.1123 273 GLN A O 2020 C CB . GLN A 273 ? 1.1990 1.4759 0.5976 0.0149 0.4102 -0.1817 273 GLN A CB 2021 N N . ASP A 274 ? 1.0840 1.2931 0.5495 0.0575 0.3732 -0.0331 274 ASP A N 2022 C CA . ASP A 274 ? 1.0424 1.1866 0.5529 0.0638 0.3709 -0.0029 274 ASP A CA 2023 C C . ASP A 274 ? 1.0402 1.1507 0.5759 0.0632 0.3956 -0.0122 274 ASP A C 2024 O O . ASP A 274 ? 1.0749 1.2098 0.5903 0.0632 0.4167 -0.0326 274 ASP A O 2025 C CB . ASP A 274 ? 1.0412 1.1900 0.5517 0.0780 0.3647 0.0537 274 ASP A CB 2026 C CG . ASP A 274 ? 1.0546 1.2443 0.5389 0.0881 0.3456 0.0730 274 ASP A CG 2027 O OD1 . ASP A 274 ? 1.0783 1.2939 0.5469 0.1032 0.3493 0.1173 274 ASP A OD1 2028 O OD2 . ASP A 274 ? 1.0453 1.2447 0.5270 0.0827 0.3289 0.0485 274 ASP A OD2 2029 N N . ILE A 275 ? 1.0035 1.0663 0.5826 0.0645 0.3940 0.0022 275 ILE A N 2030 C CA . ILE A 275 ? 1.0016 1.0480 0.6084 0.0687 0.4171 0.0060 275 ILE A CA 2031 C C . ILE A 275 ? 0.9851 1.0311 0.6141 0.0707 0.4158 0.0513 275 ILE A C 2032 O O . ILE A 275 ? 0.9584 0.9826 0.6068 0.0670 0.3976 0.0706 275 ILE A O 2033 C CB . ILE A 275 ? 0.9847 0.9917 0.6272 0.0691 0.4257 -0.0171 275 ILE A CB 2034 C CG1 . ILE A 275 ? 0.9373 0.9195 0.6112 0.0668 0.4029 -0.0027 275 ILE A CG1 2035 C CG2 . ILE A 275 ? 1.0231 1.0230 0.6454 0.0626 0.4379 -0.0660 275 ILE A CG2 2036 C CD1 . ILE A 275 ? 0.9054 0.8817 0.6220 0.0717 0.4069 0.0244 275 ILE A CD1 2037 N N . ILE A 276 ? 1.0061 1.0785 0.6311 0.0746 0.4369 0.0653 276 ILE A N 2038 C CA . ILE A 276 ? 0.9984 1.0757 0.6488 0.0705 0.4412 0.1059 276 ILE A CA 2039 C C . ILE A 276 ? 0.9809 1.0602 0.6705 0.0731 0.4583 0.1038 276 ILE A C 2040 O O . ILE A 276 ? 0.9995 1.0922 0.6831 0.0848 0.4806 0.0837 276 ILE A O 2041 C CB . ILE A 276 ? 1.0360 1.1545 0.6582 0.0734 0.4544 0.1328 276 ILE A CB 2042 N N . LEU A 277 ? 0.9498 1.0198 0.6797 0.0631 0.4493 0.1235 277 LEU A N 2043 C CA . LEU A 277 ? 0.9287 1.0183 0.6999 0.0669 0.4631 0.1280 277 LEU A CA 2044 C C . LEU A 277 ? 0.9286 1.0509 0.7260 0.0513 0.4684 0.1622 277 LEU A C 2045 O O . LEU A 277 ? 0.9166 1.0270 0.7335 0.0309 0.4517 0.1750 277 LEU A O 2046 C CB . LEU A 277 ? 0.8921 0.9611 0.6926 0.0678 0.4483 0.1162 277 LEU A CB 2047 C CG . LEU A 277 ? 0.8737 0.9699 0.7162 0.0806 0.4636 0.1212 277 LEU A CG 2048 C CD1 . LEU A 277 ? 0.8996 1.0013 0.7338 0.1047 0.4961 0.1095 277 LEU A CD1 2049 C CD2 . LEU A 277 ? 0.8375 0.9160 0.7012 0.0836 0.4476 0.1120 277 LEU A CD2 2050 N N . TYR A 278 ? 0.9467 1.1109 0.7448 0.0594 0.4936 0.1742 278 TYR A N 2051 C CA . TYR A 278 ? 0.9521 1.1577 0.7752 0.0423 0.5028 0.2085 278 TYR A CA 2052 C C . TYR A 278 ? 0.9201 1.1633 0.7964 0.0347 0.5032 0.2174 278 TYR A C 2053 O O . TYR A 278 ? 0.9022 1.1596 0.7942 0.0569 0.5117 0.2055 278 TYR A O 2054 C CB . TYR A 278 ? 0.9870 1.2358 0.7895 0.0562 0.5308 0.2200 278 TYR A CB 2055 C CG . TYR A 278 ? 1.0232 1.2603 0.7734 0.0607 0.5308 0.2191 278 TYR A CG 2056 C CD1 . TYR A 278 ? 1.0419 1.2729 0.7506 0.0820 0.5374 0.1845 278 TYR A CD1 2057 C CD2 . TYR A 278 ? 1.0444 1.2808 0.7881 0.0431 0.5262 0.2535 278 TYR A CD2 2058 C CE1 . TYR A 278 ? 1.0745 1.3154 0.7340 0.0855 0.5357 0.1834 278 TYR A CE1 2059 C CE2 . TYR A 278 ? 1.0774 1.3176 0.7740 0.0524 0.5272 0.2604 278 TYR A CE2 2060 C CZ . TYR A 278 ? 1.0901 1.3409 0.7436 0.0736 0.5302 0.2249 278 TYR A CZ 2061 O OH . TYR A 278 ? 1.1244 1.3987 0.7303 0.0821 0.5296 0.2314 278 TYR A OH 2062 N N . TRP A 279 ? 0.9184 1.1806 0.8235 0.0028 0.4960 0.2393 279 TRP A N 2063 C CA . TRP A 279 ? 0.8943 1.2147 0.8510 -0.0117 0.4953 0.2490 279 TRP A CA 2064 C C . TRP A 279 ? 0.8995 1.2965 0.8754 0.0055 0.5236 0.2687 279 TRP A C 2065 O O . TRP A 279 ? 0.8770 1.3241 0.8836 0.0230 0.5305 0.2706 279 TRP A O 2066 C CB . TRP A 279 ? 0.9053 1.2243 0.8860 -0.0583 0.4827 0.2607 279 TRP A CB 2067 C CG . TRP A 279 ? 0.8851 1.2779 0.9183 -0.0813 0.4787 0.2650 279 TRP A CG 2068 C CD1 . TRP A 279 ? 0.8939 1.3692 0.9624 -0.0987 0.4943 0.2894 279 TRP A CD1 2069 C CD2 . TRP A 279 ? 0.8566 1.2629 0.9130 -0.0894 0.4574 0.2451 279 TRP A CD2 2070 N NE1 . TRP A 279 ? 0.8700 1.4143 0.9827 -0.1188 0.4829 0.2848 279 TRP A NE1 2071 C CE2 . TRP A 279 ? 0.8468 1.3513 0.9517 -0.1128 0.4603 0.2575 279 TRP A CE2 2072 C CE3 . TRP A 279 ? 0.8406 1.1957 0.8818 -0.0791 0.4364 0.2192 279 TRP A CE3 2073 C CZ2 . TRP A 279 ? 0.8229 1.3807 0.9590 -0.1258 0.4421 0.2436 279 TRP A CZ2 2074 C CZ3 . TRP A 279 ? 0.8135 1.2154 0.8856 -0.0903 0.4196 0.2067 279 TRP A CZ3 2075 C CH2 . TRP A 279 ? 0.8061 1.3106 0.9239 -0.1133 0.4223 0.2183 279 TRP A CH2 2076 N N . GLN B 2 ? 0.7042 0.9927 0.9576 -0.1112 -0.0150 -0.3244 2 GLN B N 2077 C CA . GLN B 2 ? 0.6792 0.9851 0.9180 -0.1121 -0.0130 -0.2852 2 GLN B CA 2078 C C . GLN B 2 ? 0.6705 0.9322 0.9625 -0.1268 0.0047 -0.2590 2 GLN B C 2079 O O . GLN B 2 ? 0.6891 0.9400 1.0520 -0.1425 0.0043 -0.2844 2 GLN B O 2080 C CB . GLN B 2 ? 0.6887 1.0672 0.9293 -0.1094 -0.0386 -0.3124 2 GLN B CB 2081 C CG . GLN B 2 ? 0.7010 1.1326 0.8732 -0.0889 -0.0521 -0.3210 2 GLN B CG 2082 C CD . GLN B 2 ? 0.7188 1.2268 0.8859 -0.0800 -0.0774 -0.3412 2 GLN B CD 2083 O OE1 . GLN B 2 ? 0.7225 1.2506 0.9478 -0.0913 -0.0902 -0.3654 2 GLN B OE1 2084 N NE2 . GLN B 2 ? 0.7295 1.2837 0.8286 -0.0584 -0.0837 -0.3301 2 GLN B NE2 2085 N N . LYS B 3 ? 0.6462 0.8842 0.9062 -0.1212 0.0213 -0.2090 3 LYS B N 2086 C CA . LYS B 3 ? 0.6388 0.8403 0.9367 -0.1298 0.0414 -0.1773 3 LYS B CA 2087 C C . LYS B 3 ? 0.6180 0.8516 0.9093 -0.1287 0.0385 -0.1531 3 LYS B C 2088 O O . LYS B 3 ? 0.6022 0.8547 0.8376 -0.1156 0.0338 -0.1339 3 LYS B O 2089 C CB . LYS B 3 ? 0.6332 0.7808 0.9013 -0.1195 0.0639 -0.1421 3 LYS B CB 2090 N N . THR B 4 ? 0.6206 0.8595 0.9744 -0.1426 0.0427 -0.1540 4 THR B N 2091 C CA . THR B 4 ? 0.6037 0.8775 0.9627 -0.1414 0.0394 -0.1355 4 THR B CA 2092 C C . THR B 4 ? 0.5844 0.8274 0.9118 -0.1309 0.0614 -0.0852 4 THR B C 2093 O O . THR B 4 ? 0.5901 0.7857 0.9220 -0.1306 0.0837 -0.0647 4 THR B O 2094 C CB . THR B 4 ? 0.6150 0.9119 1.0609 -0.1607 0.0372 -0.1567 4 THR B CB 2095 O OG1 . THR B 4 ? 0.6281 0.8738 1.1241 -0.1730 0.0652 -0.1399 4 THR B OG1 2096 C CG2 . THR B 4 ? 0.6354 0.9727 1.1166 -0.1695 0.0105 -0.2151 4 THR B CG2 2097 N N . PRO B 5 ? 0.5662 0.8376 0.8616 -0.1196 0.0549 -0.0661 5 PRO B N 2098 C CA . PRO B 5 ? 0.5507 0.7976 0.8174 -0.1077 0.0729 -0.0254 5 PRO B CA 2099 C C . PRO B 5 ? 0.5521 0.7913 0.8689 -0.1141 0.0925 -0.0069 5 PRO B C 2100 O O . PRO B 5 ? 0.5605 0.8236 0.9394 -0.1292 0.0895 -0.0241 5 PRO B O 2101 C CB . PRO B 5 ? 0.5391 0.8215 0.7689 -0.0945 0.0582 -0.0163 5 PRO B CB 2102 C CG . PRO B 5 ? 0.5501 0.8739 0.7748 -0.0959 0.0338 -0.0477 5 PRO B CG 2103 C CD . PRO B 5 ? 0.5658 0.8946 0.8489 -0.1137 0.0300 -0.0820 5 PRO B CD 2104 N N . GLN B 6 ? 0.5459 0.7559 0.8377 -0.1018 0.1128 0.0260 6 GLN B N 2105 C CA . GLN B 6 ? 0.5489 0.7573 0.8765 -0.1019 0.1345 0.0500 6 GLN B CA 2106 C C . GLN B 6 ? 0.5330 0.7541 0.8245 -0.0833 0.1356 0.0724 6 GLN B C 2107 O O . GLN B 6 ? 0.5274 0.7279 0.7648 -0.0677 0.1363 0.0831 6 GLN B O 2108 C CB . GLN B 6 ? 0.5673 0.7306 0.9017 -0.0999 0.1617 0.0697 6 GLN B CB 2109 C CG . GLN B 6 ? 0.5948 0.7372 0.9756 -0.1178 0.1647 0.0501 6 GLN B CG 2110 C CD . GLN B 6 ? 0.6150 0.7849 1.0792 -0.1413 0.1634 0.0311 6 GLN B CD 2111 O OE1 . GLN B 6 ? 0.6214 0.8084 1.1242 -0.1446 0.1787 0.0492 6 GLN B OE1 2112 N NE2 . GLN B 6 ? 0.6235 0.8014 1.1195 -0.1571 0.1449 -0.0087 6 GLN B NE2 2113 N N . ILE B 7 ? 0.5264 0.7829 0.8535 -0.0848 0.1353 0.0763 7 ILE B N 2114 C CA . ILE B 7 ? 0.5126 0.7856 0.8131 -0.0664 0.1330 0.0924 7 ILE B CA 2115 C C . ILE B 7 ? 0.5144 0.7839 0.8307 -0.0569 0.1595 0.1182 7 ILE B C 2116 O O . ILE B 7 ? 0.5231 0.8029 0.8943 -0.0688 0.1756 0.1227 7 ILE B O 2117 C CB . ILE B 7 ? 0.5075 0.8309 0.8283 -0.0676 0.1100 0.0784 7 ILE B CB 2118 C CG1 . ILE B 7 ? 0.5094 0.8459 0.8149 -0.0745 0.0849 0.0522 7 ILE B CG1 2119 C CG2 . ILE B 7 ? 0.5037 0.8356 0.7919 -0.0455 0.1065 0.0957 7 ILE B CG2 2120 C CD1 . ILE B 7 ? 0.5203 0.8842 0.8843 -0.0953 0.0753 0.0215 7 ILE B CD1 2121 N N . GLN B 8 ? 0.5083 0.7652 0.7792 -0.0349 0.1649 0.1339 8 GLN B N 2122 C CA . GLN B 8 ? 0.5147 0.7733 0.7893 -0.0194 0.1892 0.1565 8 GLN B CA 2123 C C . GLN B 8 ? 0.5077 0.7796 0.7568 0.0025 0.1835 0.1612 8 GLN B C 2124 O O . GLN B 8 ? 0.5051 0.7562 0.7080 0.0151 0.1741 0.1573 8 GLN B O 2125 C CB . GLN B 8 ? 0.5285 0.7511 0.7728 -0.0095 0.2089 0.1702 8 GLN B CB 2126 C CG . GLN B 8 ? 0.5487 0.7579 0.8329 -0.0260 0.2268 0.1772 8 GLN B CG 2127 C CD . GLN B 8 ? 0.5767 0.7549 0.8296 -0.0090 0.2495 0.1985 8 GLN B CD 2128 O OE1 . GLN B 8 ? 0.5795 0.7310 0.7903 -0.0023 0.2407 0.1911 8 GLN B OE1 2129 N NE2 . GLN B 8 ? 0.5969 0.7826 0.8704 0.0000 0.2798 0.2263 8 GLN B NE2 2130 N N . VAL B 9 ? 0.5065 0.8136 0.7925 0.0067 0.1899 0.1680 9 VAL B N 2131 C CA . VAL B 9 ? 0.5036 0.8251 0.7746 0.0291 0.1853 0.1715 9 VAL B CA 2132 C C . VAL B 9 ? 0.5172 0.8404 0.7804 0.0502 0.2113 0.1874 9 VAL B C 2133 O O . VAL B 9 ? 0.5264 0.8662 0.8238 0.0456 0.2343 0.2010 9 VAL B O 2134 C CB . VAL B 9 ? 0.4964 0.8635 0.8112 0.0258 0.1721 0.1664 9 VAL B CB 2135 C CG1 . VAL B 9 ? 0.4959 0.8675 0.7887 0.0503 0.1618 0.1685 9 VAL B CG1 2136 C CG2 . VAL B 9 ? 0.4888 0.8670 0.8180 0.0053 0.1489 0.1493 9 VAL B CG2 2137 N N . TYR B 10 ? 0.5228 0.8304 0.7434 0.0738 0.2084 0.1847 10 TYR B N 2138 C CA . TYR B 10 ? 0.5402 0.8538 0.7440 0.0999 0.2299 0.1941 10 TYR B CA 2139 C C . TYR B 10 ? 0.5463 0.8564 0.7244 0.1256 0.2199 0.1821 10 TYR B C 2140 O O . TYR B 10 ? 0.5403 0.8258 0.6994 0.1237 0.1994 0.1687 10 TYR B O 2141 C CB . TYR B 10 ? 0.5530 0.8425 0.7238 0.1044 0.2448 0.2011 10 TYR B CB 2142 C CG . TYR B 10 ? 0.5459 0.7986 0.6781 0.0993 0.2263 0.1857 10 TYR B CG 2143 C CD1 . TYR B 10 ? 0.5320 0.7692 0.6751 0.0725 0.2132 0.1800 10 TYR B CD1 2144 C CD2 . TYR B 10 ? 0.5567 0.7948 0.6450 0.1219 0.2221 0.1737 10 TYR B CD2 2145 C CE1 . TYR B 10 ? 0.5247 0.7329 0.6349 0.0685 0.1986 0.1664 10 TYR B CE1 2146 C CE2 . TYR B 10 ? 0.5498 0.7590 0.6103 0.1160 0.2063 0.1583 10 TYR B CE2 2147 C CZ . TYR B 10 ? 0.5339 0.7284 0.6049 0.0893 0.1958 0.1568 10 TYR B CZ 2148 O OH . TYR B 10 ? 0.5294 0.6999 0.5753 0.0840 0.1824 0.1423 10 TYR B OH 2149 N N . SER B 11 ? 0.5624 0.8974 0.7438 0.1501 0.2365 0.1871 11 SER B N 2150 C CA . SER B 11 ? 0.5733 0.9066 0.7372 0.1777 0.2293 0.1720 11 SER B CA 2151 C C . SER B 11 ? 0.5881 0.8966 0.7038 0.1953 0.2287 0.1569 11 SER B C 2152 O O . SER B 11 ? 0.5979 0.9061 0.6914 0.1980 0.2428 0.1650 11 SER B O 2153 C CB . SER B 11 ? 0.5875 0.9632 0.7741 0.2000 0.2478 0.1794 11 SER B CB 2154 O OG . SER B 11 ? 0.5770 0.9860 0.8136 0.1823 0.2562 0.1959 11 SER B OG 2155 N N . ARG B 12 ? 0.5925 0.8813 0.6961 0.2083 0.2125 0.1346 12 ARG B N 2156 C CA . ARG B 12 ? 0.6081 0.8806 0.6750 0.2273 0.2087 0.1114 12 ARG B CA 2157 C C . ARG B 12 ? 0.6374 0.9427 0.6889 0.2636 0.2255 0.1050 12 ARG B C 2158 O O . ARG B 12 ? 0.6554 0.9680 0.6713 0.2809 0.2327 0.0986 12 ARG B O 2159 C CB . ARG B 12 ? 0.6075 0.8466 0.6789 0.2259 0.1871 0.0877 12 ARG B CB 2160 C CG . ARG B 12 ? 0.6233 0.8497 0.6702 0.2456 0.1803 0.0545 12 ARG B CG 2161 C CD . ARG B 12 ? 0.6146 0.8362 0.6296 0.2389 0.1804 0.0522 12 ARG B CD 2162 N NE . ARG B 12 ? 0.6283 0.8462 0.6235 0.2589 0.1708 0.0156 12 ARG B NE 2163 C CZ . ARG B 12 ? 0.6575 0.9059 0.6263 0.2931 0.1778 -0.0003 12 ARG B CZ 2164 N NH1 . ARG B 12 ? 0.6680 0.9510 0.6261 0.3112 0.1985 0.0221 12 ARG B NH1 2165 N NH2 . ARG B 12 ? 0.6786 0.9273 0.6336 0.3105 0.1644 -0.0401 12 ARG B NH2 2166 N N . HIS B 13 ? 0.6451 0.9742 0.7220 0.2778 0.2314 0.1068 13 HIS B N 2167 C CA . HIS B 13 ? 0.6743 1.0411 0.7396 0.3149 0.2484 0.1000 13 HIS B CA 2168 C C . HIS B 13 ? 0.6727 1.0819 0.7673 0.3136 0.2728 0.1313 13 HIS B C 2169 O O . HIS B 13 ? 0.6473 1.0549 0.7772 0.2843 0.2709 0.1507 13 HIS B O 2170 C CB . HIS B 13 ? 0.6918 1.0507 0.7664 0.3380 0.2341 0.0670 13 HIS B CB 2171 C CG . HIS B 13 ? 0.6936 1.0096 0.7557 0.3344 0.2113 0.0352 13 HIS B CG 2172 N ND1 . HIS B 13 ? 0.7121 1.0297 0.7378 0.3517 0.2081 0.0090 13 HIS B ND1 2173 C CD2 . HIS B 13 ? 0.6835 0.9571 0.7686 0.3161 0.1917 0.0259 13 HIS B CD2 2174 C CE1 . HIS B 13 ? 0.7095 0.9880 0.7426 0.3411 0.1870 -0.0182 13 HIS B CE1 2175 N NE2 . HIS B 13 ? 0.6939 0.9429 0.7628 0.3190 0.1788 -0.0060 13 HIS B NE2 2176 N N . PRO B 14 ? 0.7020 1.1539 0.7845 0.3459 0.2964 0.1350 14 PRO B N 2177 C CA . PRO B 14 ? 0.7034 1.1995 0.8224 0.3442 0.3227 0.1648 14 PRO B CA 2178 C C . PRO B 14 ? 0.6859 1.1898 0.8576 0.3335 0.3106 0.1624 14 PRO B C 2179 O O . PRO B 14 ? 0.6957 1.1943 0.8693 0.3541 0.2958 0.1375 14 PRO B O 2180 C CB . PRO B 14 ? 0.7425 1.2830 0.8339 0.3891 0.3460 0.1604 14 PRO B CB 2181 C CG . PRO B 14 ? 0.7605 1.2828 0.7933 0.4082 0.3372 0.1394 14 PRO B CG 2182 C CD . PRO B 14 ? 0.7382 1.2056 0.7730 0.3855 0.3017 0.1128 14 PRO B CD 2183 N N . PRO B 15 ? 0.6640 1.1809 0.8809 0.3027 0.3156 0.1865 15 PRO B N 2184 C CA . PRO B 15 ? 0.6482 1.1791 0.9140 0.2941 0.3011 0.1844 15 PRO B CA 2185 C C . PRO B 15 ? 0.6672 1.2514 0.9622 0.3224 0.3183 0.1853 15 PRO B C 2186 O O . PRO B 15 ? 0.6760 1.3053 0.9949 0.3230 0.3481 0.2063 15 PRO B O 2187 C CB . PRO B 15 ? 0.6227 1.1601 0.9277 0.2543 0.3022 0.2048 15 PRO B CB 2188 C CG . PRO B 15 ? 0.6339 1.1768 0.9267 0.2484 0.3313 0.2254 15 PRO B CG 2189 C CD . PRO B 15 ? 0.6555 1.1727 0.8825 0.2747 0.3324 0.2136 15 PRO B CD 2190 N N . GLU B 16 ? 0.6779 1.2560 0.9742 0.3464 0.3014 0.1634 16 GLU B N 2191 C CA . GLU B 16 ? 0.6939 1.3213 1.0213 0.3758 0.3134 0.1601 16 GLU B CA 2192 C C . GLU B 16 ? 0.6825 1.3066 1.0489 0.3741 0.2883 0.1548 16 GLU B C 2193 O O . GLU B 16 ? 0.6829 1.2573 1.0332 0.3745 0.2627 0.1408 16 GLU B O 2194 C CB . GLU B 16 ? 0.7300 1.3590 1.0193 0.4188 0.3205 0.1350 16 GLU B CB 2195 N N . ASN B 17 ? 0.6755 1.3552 1.0956 0.3732 0.2971 0.1676 17 ASN B N 2196 C CA . ASN B 17 ? 0.6674 1.3565 1.1274 0.3742 0.2735 0.1662 17 ASN B CA 2197 C C . ASN B 17 ? 0.6936 1.3549 1.1421 0.4102 0.2577 0.1461 17 ASN B C 2198 O O . ASN B 17 ? 0.7183 1.4088 1.1759 0.4447 0.2710 0.1347 17 ASN B O 2199 C CB . ASN B 17 ? 0.6593 1.4248 1.1838 0.3720 0.2879 0.1789 17 ASN B CB 2200 C CG . ASN B 17 ? 0.6345 1.4208 1.1895 0.3294 0.2952 0.1961 17 ASN B CG 2201 O OD1 . ASN B 17 ? 0.6182 1.3748 1.1683 0.3020 0.2724 0.1967 17 ASN B OD1 2202 N ND2 . ASN B 17 ? 0.6363 1.4744 1.2262 0.3244 0.3285 0.2097 17 ASN B ND2 2203 N N . GLY B 18 ? 0.6928 1.2966 1.1235 0.4024 0.2312 0.1423 18 GLY B N 2204 C CA . GLY B 18 ? 0.7218 1.2877 1.1497 0.4324 0.2160 0.1266 18 GLY B CA 2205 C C . GLY B 18 ? 0.7395 1.2392 1.1247 0.4360 0.2109 0.1056 18 GLY B C 2206 O O . GLY B 18 ? 0.7655 1.2210 1.1538 0.4537 0.1972 0.0931 18 GLY B O 2207 N N . LYS B 19 ? 0.7293 1.2229 1.0794 0.4199 0.2221 0.1014 19 LYS B N 2208 C CA . LYS B 19 ? 0.7458 1.1872 1.0577 0.4233 0.2166 0.0769 19 LYS B CA 2209 C C . LYS B 19 ? 0.7268 1.1167 1.0216 0.3887 0.1999 0.0859 19 LYS B C 2210 O O . LYS B 19 ? 0.6974 1.1004 0.9894 0.3589 0.2010 0.1079 19 LYS B O 2211 C CB . LYS B 19 ? 0.7529 1.2219 1.0314 0.4333 0.2375 0.0656 19 LYS B CB 2212 N N . PRO B 20 ? 0.7462 1.0784 1.0343 0.3925 0.1856 0.0678 20 PRO B N 2213 C CA . PRO B 20 ? 0.7320 1.0161 1.0053 0.3618 0.1723 0.0754 20 PRO B CA 2214 C C . PRO B 20 ? 0.7105 0.9972 0.9476 0.3401 0.1784 0.0726 20 PRO B C 2215 O O . PRO B 20 ? 0.7227 1.0220 0.9381 0.3556 0.1881 0.0511 20 PRO B O 2216 C CB . PRO B 20 ? 0.7660 0.9943 1.0478 0.3760 0.1627 0.0500 20 PRO B CB 2217 C CG . PRO B 20 ? 0.7967 1.0394 1.1082 0.4122 0.1656 0.0398 20 PRO B CG 2218 C CD . PRO B 20 ? 0.7864 1.0957 1.0897 0.4260 0.1821 0.0389 20 PRO B CD 2219 N N . ASN B 21 ? 0.6819 0.9594 0.9119 0.3077 0.1722 0.0939 21 ASN B N 2220 C CA . ASN B 21 ? 0.6598 0.9394 0.8600 0.2861 0.1779 0.0960 21 ASN B CA 2221 C C . ASN B 21 ? 0.6415 0.8880 0.8343 0.2549 0.1644 0.1074 21 ASN B C 2222 O O . ASN B 21 ? 0.6448 0.8719 0.8535 0.2507 0.1525 0.1177 21 ASN B O 2223 C CB . ASN B 21 ? 0.6440 0.9755 0.8511 0.2813 0.1947 0.1151 21 ASN B CB 2224 C CG . ASN B 21 ? 0.6447 0.9858 0.8197 0.2807 0.2102 0.1122 21 ASN B CG 2225 O OD1 . ASN B 21 ? 0.6392 0.9509 0.7871 0.2668 0.2041 0.1060 21 ASN B OD1 2226 N ND2 . ASN B 21 ? 0.6538 1.0391 0.8322 0.2980 0.2320 0.1193 21 ASN B ND2 2227 N N . ILE B 22 ? 0.6259 0.8677 0.7929 0.2360 0.1674 0.1070 22 ILE B N 2228 C CA . ILE B 22 ? 0.6075 0.8249 0.7653 0.2069 0.1568 0.1163 22 ILE B CA 2229 C C . ILE B 22 ? 0.5841 0.8294 0.7413 0.1860 0.1630 0.1333 22 ILE B C 2230 O O . ILE B 22 ? 0.5830 0.8482 0.7318 0.1897 0.1781 0.1341 22 ILE B O 2231 C CB . ILE B 22 ? 0.6126 0.7937 0.7460 0.2019 0.1523 0.0957 22 ILE B CB 2232 C CG1 . ILE B 22 ? 0.6384 0.7892 0.7852 0.2193 0.1460 0.0746 22 ILE B CG1 2233 C CG2 . ILE B 22 ? 0.5931 0.7548 0.7170 0.1725 0.1438 0.1059 22 ILE B CG2 2234 C CD1 . ILE B 22 ? 0.6518 0.7852 0.7828 0.2256 0.1441 0.0417 22 ILE B CD1 2235 N N . LEU B 23 ? 0.5696 0.8170 0.7378 0.1658 0.1521 0.1468 23 LEU B N 2236 C CA . LEU B 23 ? 0.5483 0.8197 0.7250 0.1435 0.1548 0.1570 23 LEU B CA 2237 C C . LEU B 23 ? 0.5367 0.7815 0.6906 0.1210 0.1469 0.1540 23 LEU B C 2238 O O . LEU B 23 ? 0.5393 0.7644 0.6851 0.1155 0.1336 0.1545 23 LEU B O 2239 C CB . LEU B 23 ? 0.5429 0.8499 0.7535 0.1397 0.1462 0.1680 23 LEU B CB 2240 C CG . LEU B 23 ? 0.5265 0.8676 0.7630 0.1178 0.1489 0.1724 23 LEU B CG 2241 C CD1 . LEU B 23 ? 0.5273 0.8922 0.7833 0.1217 0.1725 0.1765 23 LEU B CD1 2242 C CD2 . LEU B 23 ? 0.5257 0.9042 0.7933 0.1162 0.1328 0.1762 23 LEU B CD2 2243 N N . ASN B 24 ? 0.5283 0.7736 0.6731 0.1099 0.1570 0.1532 24 ASN B N 2244 C CA . ASN B 24 ? 0.5183 0.7414 0.6433 0.0905 0.1511 0.1486 24 ASN B CA 2245 C C . ASN B 24 ? 0.5067 0.7491 0.6531 0.0678 0.1473 0.1536 24 ASN B C 2246 O O . ASN B 24 ? 0.5035 0.7732 0.6802 0.0642 0.1573 0.1600 24 ASN B O 2247 C CB . ASN B 24 ? 0.5225 0.7306 0.6222 0.0966 0.1634 0.1429 24 ASN B CB 2248 C CG . ASN B 24 ? 0.5360 0.7315 0.6159 0.1207 0.1646 0.1295 24 ASN B CG 2249 O OD1 . ASN B 24 ? 0.5387 0.7146 0.6163 0.1232 0.1530 0.1191 24 ASN B OD1 2250 N ND2 . ASN B 24 ? 0.5478 0.7559 0.6154 0.1396 0.1797 0.1291 24 ASN B ND2 2251 N N . CYS B 25 ? 0.5017 0.7325 0.6362 0.0528 0.1334 0.1484 25 CYS B N 2252 C CA . CYS B 25 ? 0.4960 0.7413 0.6461 0.0314 0.1280 0.1444 25 CYS B CA 2253 C C . CYS B 25 ? 0.4940 0.7107 0.6171 0.0205 0.1270 0.1358 25 CYS B C 2254 O O . CYS B 25 ? 0.4947 0.6963 0.5938 0.0197 0.1171 0.1317 25 CYS B O 2255 C CB . CYS B 25 ? 0.4978 0.7708 0.6608 0.0272 0.1094 0.1435 25 CYS B CB 2256 S SG . CYS B 25 ? 0.4974 0.7937 0.6807 0.0027 0.0983 0.1278 25 CYS B SG 2257 N N . TYR B 26 ? 0.4948 0.7050 0.6252 0.0133 0.1392 0.1351 26 TYR B N 2258 C CA . TYR B 26 ? 0.4958 0.6793 0.6022 0.0074 0.1404 0.1276 26 TYR B CA 2259 C C . TYR B 26 ? 0.4946 0.6838 0.6208 -0.0132 0.1343 0.1175 26 TYR B C 2260 O O . TYR B 26 ? 0.5006 0.6951 0.6596 -0.0219 0.1449 0.1200 26 TYR B O 2261 C CB . TYR B 26 ? 0.5051 0.6738 0.6001 0.0209 0.1593 0.1357 26 TYR B CB 2262 C CG . TYR B 26 ? 0.5104 0.6536 0.5769 0.0223 0.1600 0.1289 26 TYR B CG 2263 C CD1 . TYR B 26 ? 0.5067 0.6377 0.5480 0.0214 0.1464 0.1152 26 TYR B CD1 2264 C CD2 . TYR B 26 ? 0.5270 0.6595 0.5941 0.0266 0.1763 0.1383 26 TYR B CD2 2265 C CE1 . TYR B 26 ? 0.5147 0.6283 0.5338 0.0239 0.1464 0.1067 26 TYR B CE1 2266 C CE2 . TYR B 26 ? 0.5371 0.6491 0.5777 0.0322 0.1760 0.1325 26 TYR B CE2 2267 C CZ . TYR B 26 ? 0.5319 0.6368 0.5491 0.0307 0.1598 0.1146 26 TYR B CZ 2268 O OH . TYR B 26 ? 0.5416 0.6319 0.5366 0.0371 0.1586 0.1066 26 TYR B OH 2269 N N . VAL B 27 ? 0.4910 0.6800 0.6005 -0.0206 0.1187 0.1055 27 VAL B N 2270 C CA . VAL B 27 ? 0.4938 0.6919 0.6187 -0.0375 0.1099 0.0891 27 VAL B CA 2271 C C . VAL B 27 ? 0.4995 0.6683 0.6046 -0.0402 0.1145 0.0812 27 VAL B C 2272 O O . VAL B 27 ? 0.4984 0.6521 0.5692 -0.0327 0.1128 0.0810 27 VAL B O 2273 C CB . VAL B 27 ? 0.4929 0.7189 0.6097 -0.0402 0.0899 0.0800 27 VAL B CB 2274 C CG1 . VAL B 27 ? 0.4956 0.7406 0.6329 -0.0552 0.0789 0.0566 27 VAL B CG1 2275 C CG2 . VAL B 27 ? 0.4922 0.7471 0.6243 -0.0317 0.0845 0.0907 27 VAL B CG2 2276 N N . THR B 28 ? 0.5088 0.6699 0.6411 -0.0507 0.1210 0.0741 28 THR B N 2277 C CA . THR B 28 ? 0.5173 0.6488 0.6364 -0.0499 0.1276 0.0691 28 THR B CA 2278 C C . THR B 28 ? 0.5269 0.6590 0.6734 -0.0658 0.1209 0.0466 28 THR B C 2279 O O . THR B 28 ? 0.5279 0.6866 0.7070 -0.0784 0.1107 0.0323 28 THR B O 2280 C CB . THR B 28 ? 0.5306 0.6389 0.6541 -0.0387 0.1500 0.0900 28 THR B CB 2281 O OG1 . THR B 28 ? 0.5368 0.6586 0.7018 -0.0441 0.1614 0.1023 28 THR B OG1 2282 C CG2 . THR B 28 ? 0.5258 0.6276 0.6083 -0.0177 0.1538 0.1014 28 THR B CG2 2283 N N . GLN B 29 ? 0.5375 0.6429 0.6718 -0.0631 0.1254 0.0405 29 GLN B N 2284 C CA . GLN B 29 ? 0.5550 0.6497 0.7205 -0.0751 0.1239 0.0194 29 GLN B CA 2285 C C . GLN B 29 ? 0.5526 0.6793 0.7286 -0.0877 0.1022 -0.0131 29 GLN B C 2286 O O . GLN B 29 ? 0.5692 0.7007 0.7914 -0.1015 0.0985 -0.0348 29 GLN B O 2287 C CB . GLN B 29 ? 0.5742 0.6520 0.7936 -0.0829 0.1424 0.0310 29 GLN B CB 2288 C CG . GLN B 29 ? 0.5918 0.6395 0.7980 -0.0659 0.1670 0.0652 29 GLN B CG 2289 C CD . GLN B 29 ? 0.6229 0.6378 0.8029 -0.0523 0.1721 0.0660 29 GLN B CD 2290 O OE1 . GLN B 29 ? 0.6409 0.6411 0.8412 -0.0606 0.1676 0.0454 29 GLN B OE1 2291 N NE2 . GLN B 29 ? 0.6271 0.6336 0.7635 -0.0293 0.1802 0.0868 29 GLN B NE2 2292 N N . PHE B 30 ? 0.5386 0.6884 0.6737 -0.0818 0.0888 -0.0170 30 PHE B N 2293 C CA . PHE B 30 ? 0.5414 0.7292 0.6758 -0.0876 0.0689 -0.0444 30 PHE B CA 2294 C C . PHE B 30 ? 0.5465 0.7362 0.6427 -0.0818 0.0630 -0.0587 30 PHE B C 2295 O O . PHE B 30 ? 0.5399 0.7096 0.6042 -0.0729 0.0716 -0.0437 30 PHE B O 2296 C CB . PHE B 30 ? 0.5312 0.7575 0.6576 -0.0844 0.0583 -0.0348 30 PHE B CB 2297 C CG . PHE B 30 ? 0.5155 0.7341 0.6003 -0.0718 0.0641 -0.0064 30 PHE B CG 2298 C CD1 . PHE B 30 ? 0.5032 0.6997 0.5912 -0.0662 0.0778 0.0184 30 PHE B CD1 2299 C CD2 . PHE B 30 ? 0.5127 0.7476 0.5586 -0.0649 0.0571 -0.0053 30 PHE B CD2 2300 C CE1 . PHE B 30 ? 0.4895 0.6781 0.5465 -0.0549 0.0818 0.0382 30 PHE B CE1 2301 C CE2 . PHE B 30 ? 0.5008 0.7247 0.5196 -0.0558 0.0641 0.0194 30 PHE B CE2 2302 C CZ . PHE B 30 ? 0.4875 0.6871 0.5139 -0.0512 0.0750 0.0383 30 PHE B CZ 2303 N N . HIS B 31 ? 0.5606 0.7797 0.6636 -0.0860 0.0480 -0.0908 31 HIS B N 2304 C CA . HIS B 31 ? 0.5682 0.8007 0.6373 -0.0796 0.0421 -0.1083 31 HIS B CA 2305 C C . HIS B 31 ? 0.5863 0.8689 0.6628 -0.0811 0.0220 -0.1423 31 HIS B C 2306 O O . HIS B 31 ? 0.5993 0.8877 0.7232 -0.0911 0.0141 -0.1680 31 HIS B O 2307 C CB . HIS B 31 ? 0.5766 0.7716 0.6551 -0.0793 0.0509 -0.1211 31 HIS B CB 2308 C CG . HIS B 31 ? 0.5894 0.8006 0.6372 -0.0718 0.0464 -0.1410 31 HIS B CG 2309 N ND1 . HIS B 31 ? 0.5806 0.7871 0.5909 -0.0630 0.0549 -0.1235 31 HIS B ND1 2310 C CD2 . HIS B 31 ? 0.6125 0.8487 0.6649 -0.0712 0.0347 -0.1794 31 HIS B CD2 2311 C CE1 . HIS B 31 ? 0.5924 0.8207 0.5852 -0.0578 0.0508 -0.1466 31 HIS B CE1 2312 N NE2 . HIS B 31 ? 0.6110 0.8578 0.6256 -0.0611 0.0382 -0.1811 31 HIS B NE2 2313 N N . PRO B 32 ? 0.5930 0.9151 0.6256 -0.0702 0.0143 -0.1433 32 PRO B N 2314 C CA . PRO B 32 ? 0.5855 0.9069 0.5700 -0.0603 0.0246 -0.1159 32 PRO B CA 2315 C C . PRO B 32 ? 0.5687 0.8774 0.5426 -0.0580 0.0334 -0.0743 32 PRO B C 2316 O O . PRO B 32 ? 0.5649 0.8765 0.5618 -0.0608 0.0291 -0.0666 32 PRO B O 2317 C CB . PRO B 32 ? 0.6078 0.9863 0.5599 -0.0493 0.0127 -0.1314 32 PRO B CB 2318 C CG . PRO B 32 ? 0.6235 1.0393 0.6011 -0.0503 -0.0069 -0.1565 32 PRO B CG 2319 C CD . PRO B 32 ? 0.6171 0.9961 0.6509 -0.0661 -0.0065 -0.1780 32 PRO B CD 2320 N N . PRO B 33 ? 0.5614 0.8570 0.5063 -0.0529 0.0460 -0.0503 33 PRO B N 2321 C CA . PRO B 33 ? 0.5484 0.8256 0.4883 -0.0505 0.0553 -0.0155 33 PRO B CA 2322 C C . PRO B 33 ? 0.5590 0.8667 0.4874 -0.0424 0.0494 0.0049 33 PRO B C 2323 O O . PRO B 33 ? 0.5515 0.8412 0.4834 -0.0397 0.0560 0.0311 33 PRO B O 2324 C CB . PRO B 33 ? 0.5457 0.8075 0.4656 -0.0488 0.0688 -0.0048 33 PRO B CB 2325 C CG . PRO B 33 ? 0.5608 0.8511 0.4638 -0.0467 0.0659 -0.0260 33 PRO B CG 2326 C CD . PRO B 33 ? 0.5663 0.8607 0.4903 -0.0504 0.0534 -0.0588 33 PRO B CD 2327 N N . HIS B 34 ? 0.5810 0.9361 0.4950 -0.0355 0.0368 -0.0073 34 HIS B N 2328 C CA . HIS B 34 ? 0.5989 0.9874 0.4981 -0.0224 0.0304 0.0149 34 HIS B CA 2329 C C . HIS B 34 ? 0.5880 0.9835 0.5199 -0.0239 0.0187 0.0110 34 HIS B C 2330 O O . HIS B 34 ? 0.5870 0.9993 0.5469 -0.0312 0.0057 -0.0213 34 HIS B O 2331 C CB . HIS B 34 ? 0.6332 1.0790 0.4993 -0.0084 0.0205 0.0054 34 HIS B CB 2332 C CG . HIS B 34 ? 0.6685 1.1489 0.5123 0.0106 0.0164 0.0357 34 HIS B CG 2333 N ND1 . HIS B 34 ? 0.6895 1.1530 0.5121 0.0191 0.0344 0.0805 34 HIS B ND1 2334 C CD2 . HIS B 34 ? 0.6951 1.2266 0.5377 0.0245 -0.0036 0.0278 34 HIS B CD2 2335 C CE1 . HIS B 34 ? 0.7174 1.2164 0.5233 0.0392 0.0271 0.1032 34 HIS B CE1 2336 N NE2 . HIS B 34 ? 0.7233 1.2675 0.5386 0.0441 0.0027 0.0712 34 HIS B NE2 2337 N N . ILE B 35 ? 0.5823 0.9652 0.5158 -0.0172 0.0244 0.0431 35 ILE B N 2338 C CA . ILE B 35 ? 0.5684 0.9526 0.5366 -0.0186 0.0182 0.0438 35 ILE B CA 2339 C C . ILE B 35 ? 0.5792 0.9722 0.5383 -0.0019 0.0187 0.0779 35 ILE B C 2340 O O . ILE B 35 ? 0.5891 0.9623 0.5238 0.0059 0.0311 0.1067 35 ILE B O 2341 C CB . ILE B 35 ? 0.5424 0.8770 0.5393 -0.0325 0.0312 0.0410 35 ILE B CB 2342 C CG1 . ILE B 35 ? 0.5299 0.8741 0.5701 -0.0371 0.0264 0.0344 35 ILE B CG1 2343 C CG2 . ILE B 35 ? 0.5342 0.8263 0.5161 -0.0289 0.0484 0.0683 35 ILE B CG2 2344 C CD1 . ILE B 35 ? 0.5043 0.8121 0.5741 -0.0506 0.0386 0.0256 35 ILE B CD1 2345 N N . GLU B 36 ? 0.5798 1.0032 0.5640 0.0034 0.0058 0.0738 36 GLU B N 2346 C CA . GLU B 36 ? 0.5905 1.0221 0.5727 0.0216 0.0053 0.1045 36 GLU B CA 2347 C C . GLU B 36 ? 0.5697 0.9894 0.5949 0.0165 0.0075 0.1029 36 GLU B C 2348 O O . GLU B 36 ? 0.5605 1.0091 0.6213 0.0080 -0.0031 0.0778 36 GLU B O 2349 C CB . GLU B 36 ? 0.6199 1.1166 0.5854 0.0420 -0.0144 0.1046 36 GLU B CB 2350 N N . ILE B 37 ? 0.5650 0.9438 0.5904 0.0216 0.0227 0.1281 37 ILE B N 2351 C CA . ILE B 37 ? 0.5501 0.9187 0.6110 0.0212 0.0281 0.1300 37 ILE B CA 2352 C C . ILE B 37 ? 0.5673 0.9473 0.6303 0.0438 0.0256 0.1555 37 ILE B C 2353 O O . ILE B 37 ? 0.5873 0.9463 0.6252 0.0569 0.0316 0.1807 37 ILE B O 2354 C CB . ILE B 37 ? 0.5318 0.8461 0.5948 0.0116 0.0473 0.1312 37 ILE B CB 2355 C CG1 . ILE B 37 ? 0.5166 0.8209 0.5848 -0.0076 0.0501 0.1073 37 ILE B CG1 2356 C CG2 . ILE B 37 ? 0.5248 0.8324 0.6166 0.0174 0.0554 0.1375 37 ILE B CG2 2357 C CD1 . ILE B 37 ? 0.5236 0.8026 0.5596 -0.0125 0.0552 0.1053 37 ILE B CD1 2358 N N . GLN B 38 ? 0.5633 0.9765 0.6614 0.0483 0.0180 0.1493 38 GLN B N 2359 C CA . GLN B 38 ? 0.5777 1.0033 0.6854 0.0715 0.0157 0.1708 38 GLN B CA 2360 C C . GLN B 38 ? 0.5585 0.9781 0.7058 0.0688 0.0258 0.1662 38 GLN B C 2361 O O . GLN B 38 ? 0.5395 0.9754 0.7183 0.0516 0.0270 0.1453 38 GLN B O 2362 C CB . GLN B 38 ? 0.5975 1.0897 0.7089 0.0875 -0.0070 0.1685 38 GLN B CB 2363 C CG . GLN B 38 ? 0.6315 1.1380 0.6963 0.1010 -0.0155 0.1821 38 GLN B CG 2364 C CD . GLN B 38 ? 0.6609 1.2428 0.7251 0.1226 -0.0407 0.1779 38 GLN B CD 2365 O OE1 . GLN B 38 ? 0.6671 1.2789 0.7560 0.1404 -0.0491 0.1848 38 GLN B OE1 2366 N NE2 . GLN B 38 ? 0.6762 1.2940 0.7113 0.1240 -0.0538 0.1645 38 GLN B NE2 2367 N N . MET B 39 ? 0.5677 0.9634 0.7157 0.0867 0.0349 0.1859 39 MET B N 2368 C CA . MET B 39 ? 0.5571 0.9580 0.7406 0.0912 0.0441 0.1833 39 MET B CA 2369 C C . MET B 39 ? 0.5735 1.0168 0.7774 0.1157 0.0324 0.1944 39 MET B C 2370 O O . MET B 39 ? 0.6003 1.0343 0.7836 0.1373 0.0275 0.2158 39 MET B O 2371 C CB . MET B 39 ? 0.5547 0.9006 0.7274 0.0951 0.0632 0.1893 39 MET B CB 2372 C CG . MET B 39 ? 0.5426 0.8550 0.6988 0.0741 0.0739 0.1764 39 MET B CG 2373 S SD . MET B 39 ? 0.5507 0.8140 0.6973 0.0812 0.0930 0.1745 39 MET B SD 2374 C CE . MET B 39 ? 0.5350 0.8276 0.7150 0.0832 0.1055 0.1690 39 MET B CE 2375 N N . LEU B 40 ? 0.5612 1.0521 0.8092 0.1128 0.0288 0.1811 40 LEU B N 2376 C CA . LEU B 40 ? 0.5751 1.1216 0.8485 0.1352 0.0133 0.1859 40 LEU B CA 2377 C C . LEU B 40 ? 0.5714 1.1260 0.8807 0.1493 0.0254 0.1903 40 LEU B C 2378 O O . LEU B 40 ? 0.5534 1.0958 0.8832 0.1355 0.0439 0.1818 40 LEU B O 2379 C CB . LEU B 40 ? 0.5684 1.1826 0.8731 0.1225 -0.0061 0.1612 40 LEU B CB 2380 C CG . LEU B 40 ? 0.5738 1.1940 0.8508 0.1076 -0.0198 0.1467 40 LEU B CG 2381 C CD1 . LEU B 40 ? 0.5649 1.2477 0.8907 0.0896 -0.0355 0.1116 40 LEU B CD1 2382 C CD2 . LEU B 40 ? 0.6053 1.2332 0.8338 0.1335 -0.0348 0.1670 40 LEU B CD2 2383 N N . LYS B 41 ? 0.5934 1.1702 0.9083 0.1801 0.0157 0.2054 41 LYS B N 2384 C CA . LYS B 41 ? 0.5939 1.1935 0.9479 0.1982 0.0233 0.2071 41 LYS B CA 2385 C C . LYS B 41 ? 0.6008 1.2820 0.9930 0.2112 0.0014 0.2004 41 LYS B C 2386 O O . LYS B 41 ? 0.6281 1.3287 1.0021 0.2369 -0.0173 0.2145 41 LYS B O 2387 C CB . LYS B 41 ? 0.6192 1.1699 0.9522 0.2274 0.0318 0.2286 41 LYS B CB 2388 C CG . LYS B 41 ? 0.6219 1.1931 0.9927 0.2497 0.0410 0.2281 41 LYS B CG 2389 C CD . LYS B 41 ? 0.6524 1.1707 1.0062 0.2792 0.0477 0.2450 41 LYS B CD 2390 C CE . LYS B 41 ? 0.6592 1.2023 1.0509 0.3053 0.0557 0.2415 41 LYS B CE 2391 N NZ . LYS B 41 ? 0.6940 1.1822 1.0756 0.3349 0.0621 0.2529 41 LYS B NZ 2392 N N . ASN B 42 ? 0.5788 1.3098 1.0259 0.1941 0.0048 0.1792 42 ASN B N 2393 C CA . ASN B 42 ? 0.5815 1.4000 1.0797 0.2010 -0.0162 0.1638 42 ASN B CA 2394 C C . ASN B 42 ? 0.5899 1.4490 1.0760 0.1953 -0.0455 0.1487 42 ASN B C 2395 O O . ASN B 42 ? 0.5977 1.5356 1.1215 0.2057 -0.0689 0.1325 42 ASN B O 2396 C CB . ASN B 42 ? 0.6035 1.4514 1.1157 0.2421 -0.0226 0.1796 42 ASN B CB 2397 C CG . ASN B 42 ? 0.5961 1.4274 1.1355 0.2484 0.0044 0.1846 42 ASN B CG 2398 O OD1 . ASN B 42 ? 0.5746 1.4226 1.1553 0.2245 0.0224 0.1704 42 ASN B OD1 2399 N ND2 . ASN B 42 ? 0.6194 1.4184 1.1370 0.2826 0.0086 0.2052 42 ASN B ND2 2400 N N . GLY B 43 ? 0.5903 1.4010 1.0253 0.1807 -0.0449 0.1512 43 GLY B N 2401 C CA . GLY B 43 ? 0.6021 1.4488 1.0174 0.1771 -0.0707 0.1354 43 GLY B CA 2402 C C . GLY B 43 ? 0.6344 1.4536 0.9787 0.2029 -0.0793 0.1636 43 GLY B C 2403 O O . GLY B 43 ? 0.6473 1.4904 0.9626 0.2020 -0.0969 0.1539 43 GLY B O 2404 N N . LYS B 44 ? 0.6517 1.4220 0.9709 0.2268 -0.0654 0.1982 44 LYS B N 2405 C CA . LYS B 44 ? 0.6891 1.4216 0.9479 0.2501 -0.0660 0.2320 44 LYS B CA 2406 C C . LYS B 44 ? 0.6790 1.3242 0.9047 0.2284 -0.0415 0.2418 44 LYS B C 2407 O O . LYS B 44 ? 0.6538 1.2584 0.8989 0.2117 -0.0219 0.2344 44 LYS B O 2408 C CB . LYS B 44 ? 0.7225 1.4538 0.9824 0.2920 -0.0663 0.2642 44 LYS B CB 2409 C CG . LYS B 44 ? 0.7735 1.4845 0.9798 0.3228 -0.0700 0.3038 44 LYS B CG 2410 C CD . LYS B 44 ? 0.8130 1.4975 1.0260 0.3609 -0.0625 0.3383 44 LYS B CD 2411 C CE . LYS B 44 ? 0.8721 1.5445 1.0382 0.3964 -0.0654 0.3838 44 LYS B CE 2412 N NZ . LYS B 44 ? 0.8981 1.6634 1.0540 0.4279 -0.0953 0.3861 44 LYS B NZ 2413 N N . LYS B 45 ? 0.7014 1.3237 0.8774 0.2308 -0.0426 0.2580 45 LYS B N 2414 C CA . LYS B 45 ? 0.6945 1.2421 0.8418 0.2103 -0.0215 0.2652 45 LYS B CA 2415 C C . LYS B 45 ? 0.7096 1.1909 0.8571 0.2237 -0.0015 0.2908 45 LYS B C 2416 O O . LYS B 45 ? 0.7499 1.2228 0.8866 0.2541 -0.0020 0.3227 45 LYS B O 2417 C CB . LYS B 45 ? 0.7182 1.2668 0.8165 0.2115 -0.0265 0.2773 45 LYS B CB 2418 N N . ILE B 46 ? 0.6822 1.1180 0.8435 0.2030 0.0157 0.2758 46 ILE B N 2419 C CA . ILE B 46 ? 0.6970 1.0686 0.8607 0.2124 0.0339 0.2896 46 ILE B CA 2420 C C . ILE B 46 ? 0.7213 1.0416 0.8520 0.2080 0.0434 0.3094 46 ILE B C 2421 O O . ILE B 46 ? 0.7040 1.0163 0.8145 0.1834 0.0457 0.2977 46 ILE B O 2422 C CB . ILE B 46 ? 0.6644 1.0103 0.8474 0.1942 0.0484 0.2642 46 ILE B CB 2423 C CG1 . ILE B 46 ? 0.6395 1.0392 0.8588 0.1940 0.0441 0.2465 46 ILE B CG1 2424 C CG2 . ILE B 46 ? 0.6831 0.9709 0.8724 0.2082 0.0634 0.2710 46 ILE B CG2 2425 C CD1 . ILE B 46 ? 0.6053 0.9931 0.8354 0.1716 0.0589 0.2239 46 ILE B CD1 2426 N N . PRO B 47 ? 0.7657 1.0516 0.8952 0.2321 0.0504 0.3406 47 PRO B N 2427 C CA . PRO B 47 ? 0.7932 1.0275 0.9019 0.2264 0.0643 0.3621 47 PRO B CA 2428 C C . PRO B 47 ? 0.7787 0.9522 0.9022 0.2061 0.0810 0.3421 47 PRO B C 2429 O O . PRO B 47 ? 0.7587 0.9260 0.9057 0.2058 0.0827 0.3182 47 PRO B O 2430 C CB . PRO B 47 ? 0.8492 1.0671 0.9626 0.2614 0.0680 0.4035 47 PRO B CB 2431 C CG . PRO B 47 ? 0.8450 1.0774 0.9917 0.2817 0.0618 0.3933 47 PRO B CG 2432 C CD . PRO B 47 ? 0.7954 1.0893 0.9475 0.2666 0.0471 0.3588 47 PRO B CD 2433 N N . LYS B 48 ? 0.7927 0.9278 0.9030 0.1910 0.0931 0.3508 48 LYS B N 2434 C CA . LYS B 48 ? 0.7838 0.8655 0.9104 0.1724 0.1070 0.3298 48 LYS B CA 2435 C C . LYS B 48 ? 0.7358 0.8320 0.8644 0.1550 0.1026 0.2885 48 LYS B C 2436 O O . LYS B 48 ? 0.7307 0.8076 0.8809 0.1597 0.1066 0.2679 48 LYS B O 2437 C CB . LYS B 48 ? 0.8215 0.8512 0.9833 0.1901 0.1182 0.3390 48 LYS B CB 2438 N N . VAL B 49 ? 0.7058 0.8375 0.8113 0.1374 0.0949 0.2774 49 VAL B N 2439 C CA . VAL B 49 ? 0.6641 0.8055 0.7695 0.1201 0.0940 0.2448 49 VAL B CA 2440 C C . VAL B 49 ? 0.6557 0.7647 0.7501 0.0999 0.1024 0.2323 49 VAL B C 2441 O O . VAL B 49 ? 0.6594 0.7728 0.7345 0.0888 0.1023 0.2414 49 VAL B O 2442 C CB . VAL B 49 ? 0.6397 0.8349 0.7361 0.1117 0.0817 0.2368 49 VAL B CB 2443 C CG1 . VAL B 49 ? 0.6063 0.8038 0.7056 0.0945 0.0853 0.2093 49 VAL B CG1 2444 C CG2 . VAL B 49 ? 0.6474 0.8831 0.7612 0.1314 0.0718 0.2460 49 VAL B CG2 2445 N N . GLU B 50 ? 0.6480 0.7296 0.7548 0.0978 0.1091 0.2098 50 GLU B N 2446 C CA . GLU B 50 ? 0.6420 0.6979 0.7437 0.0809 0.1152 0.1929 50 GLU B CA 2447 C C . GLU B 50 ? 0.6107 0.6911 0.6895 0.0640 0.1109 0.1790 50 GLU B C 2448 O O . GLU B 50 ? 0.5919 0.6941 0.6686 0.0650 0.1080 0.1674 50 GLU B O 2449 C CB . GLU B 50 ? 0.6461 0.6745 0.7673 0.0876 0.1200 0.1674 50 GLU B CB 2450 C CG . GLU B 50 ? 0.6880 0.6825 0.8401 0.1022 0.1254 0.1752 50 GLU B CG 2451 C CD . GLU B 50 ? 0.7033 0.6753 0.8771 0.1095 0.1276 0.1408 50 GLU B CD 2452 O OE1 . GLU B 50 ? 0.7066 0.6593 0.8886 0.0966 0.1301 0.1206 50 GLU B OE1 2453 O OE2 . GLU B 50 ? 0.7102 0.6885 0.8941 0.1296 0.1262 0.1314 50 GLU B OE2 2454 N N . MET B 51 ? 0.6095 0.6857 0.6748 0.0493 0.1127 0.1818 51 MET B N 2455 C CA . MET B 51 ? 0.5840 0.6796 0.6294 0.0342 0.1089 0.1685 51 MET B CA 2456 C C . MET B 51 ? 0.5751 0.6480 0.6207 0.0241 0.1147 0.1485 51 MET B C 2457 O O . MET B 51 ? 0.5931 0.6437 0.6500 0.0205 0.1215 0.1524 51 MET B O 2458 C CB . MET B 51 ? 0.5941 0.7128 0.6217 0.0290 0.1048 0.1853 51 MET B CB 2459 C CG . MET B 51 ? 0.5777 0.7280 0.5907 0.0189 0.0961 0.1712 51 MET B CG 2460 S SD . MET B 51 ? 0.5838 0.7722 0.6093 0.0262 0.0845 0.1701 51 MET B SD 2461 C CE . MET B 51 ? 0.6091 0.8245 0.6265 0.0421 0.0766 0.1975 51 MET B CE 2462 N N . SER B 52 ? 0.5519 0.6315 0.5887 0.0206 0.1128 0.1280 52 SER B N 2463 C CA . SER B 52 ? 0.5444 0.6108 0.5791 0.0144 0.1155 0.1068 52 SER B CA 2464 C C . SER B 52 ? 0.5392 0.6141 0.5606 -0.0006 0.1155 0.1074 52 SER B C 2465 O O . SER B 52 ? 0.5386 0.6324 0.5482 -0.0050 0.1123 0.1204 52 SER B O 2466 C CB . SER B 52 ? 0.5308 0.6030 0.5574 0.0223 0.1147 0.0889 52 SER B CB 2467 O OG . SER B 52 ? 0.5152 0.6030 0.5269 0.0148 0.1130 0.0895 52 SER B OG 2468 N N . ASP B 53 ? 0.5366 0.6026 0.5613 -0.0067 0.1183 0.0903 53 ASP B N 2469 C CA . ASP B 53 ? 0.5338 0.6104 0.5478 -0.0194 0.1197 0.0879 53 ASP B CA 2470 C C . ASP B 53 ? 0.5187 0.6108 0.5130 -0.0203 0.1139 0.0773 53 ASP B C 2471 O O . ASP B 53 ? 0.5125 0.6009 0.5040 -0.0129 0.1121 0.0634 53 ASP B O 2472 C CB . ASP B 53 ? 0.5367 0.6031 0.5682 -0.0255 0.1246 0.0707 53 ASP B CB 2473 C CG . ASP B 53 ? 0.5634 0.6107 0.6247 -0.0290 0.1337 0.0824 53 ASP B CG 2474 O OD1 . ASP B 53 ? 0.5820 0.6303 0.6411 -0.0322 0.1405 0.1108 53 ASP B OD1 2475 O OD2 . ASP B 53 ? 0.5756 0.6076 0.6644 -0.0270 0.1341 0.0626 53 ASP B OD2 2476 N N . MET B 54 ? 0.5196 0.6297 0.5010 -0.0274 0.1117 0.0842 54 MET B N 2477 C CA . MET B 54 ? 0.5104 0.6323 0.4808 -0.0300 0.1065 0.0720 54 MET B CA 2478 C C . MET B 54 ? 0.5041 0.6198 0.4710 -0.0307 0.1081 0.0524 54 MET B C 2479 O O . MET B 54 ? 0.5095 0.6260 0.4788 -0.0351 0.1120 0.0468 54 MET B O 2480 C CB . MET B 54 ? 0.5188 0.6656 0.4781 -0.0359 0.1021 0.0765 54 MET B CB 2481 C CG . MET B 54 ? 0.5147 0.6729 0.4724 -0.0392 0.0952 0.0610 54 MET B CG 2482 S SD . MET B 54 ? 0.5398 0.7362 0.4891 -0.0413 0.0849 0.0615 54 MET B SD 2483 C CE . MET B 54 ? 0.5317 0.7307 0.4914 -0.0478 0.0787 0.0329 54 MET B CE 2484 N N . SER B 55 ? 0.4973 0.6081 0.4615 -0.0252 0.1065 0.0437 55 SER B N 2485 C CA . SER B 55 ? 0.4942 0.5997 0.4530 -0.0199 0.1072 0.0275 55 SER B CA 2486 C C . SER B 55 ? 0.4939 0.5976 0.4504 -0.0195 0.1065 0.0241 55 SER B C 2487 O O . SER B 55 ? 0.4942 0.6034 0.4578 -0.0262 0.1046 0.0301 55 SER B O 2488 C CB . SER B 55 ? 0.4958 0.5916 0.4559 -0.0053 0.1087 0.0232 55 SER B CB 2489 O OG . SER B 55 ? 0.5007 0.5970 0.4532 0.0047 0.1077 0.0079 55 SER B OG 2490 N N . PHE B 56 ? 0.4967 0.5935 0.4476 -0.0111 0.1077 0.0132 56 PHE B N 2491 C CA . PHE B 56 ? 0.5051 0.5915 0.4600 -0.0084 0.1102 0.0129 56 PHE B CA 2492 C C . PHE B 56 ? 0.5180 0.5906 0.4652 0.0114 0.1159 0.0159 56 PHE B C 2493 O O . PHE B 56 ? 0.5169 0.5946 0.4525 0.0241 0.1140 0.0095 56 PHE B O 2494 C CB . PHE B 56 ? 0.5076 0.6009 0.4646 -0.0177 0.1059 -0.0029 56 PHE B CB 2495 C CG . PHE B 56 ? 0.5006 0.6026 0.4474 -0.0137 0.1041 -0.0178 56 PHE B CG 2496 C CD1 . PHE B 56 ? 0.5020 0.5945 0.4449 0.0010 0.1056 -0.0257 56 PHE B CD1 2497 C CD2 . PHE B 56 ? 0.4906 0.6132 0.4339 -0.0234 0.1025 -0.0221 56 PHE B CD2 2498 C CE1 . PHE B 56 ? 0.5019 0.6085 0.4403 0.0053 0.1031 -0.0420 56 PHE B CE1 2499 C CE2 . PHE B 56 ? 0.4882 0.6232 0.4292 -0.0215 0.1033 -0.0360 56 PHE B CE2 2500 C CZ . PHE B 56 ? 0.4932 0.6221 0.4333 -0.0075 0.1024 -0.0482 56 PHE B CZ 2501 N N . SER B 57 ? 0.5349 0.5920 0.4910 0.0153 0.1235 0.0259 57 SER B N 2502 C CA . SER B 57 ? 0.5587 0.6023 0.5048 0.0381 0.1325 0.0368 57 SER B CA 2503 C C . SER B 57 ? 0.5732 0.6067 0.5166 0.0462 0.1317 0.0264 57 SER B C 2504 O O . SER B 57 ? 0.5673 0.6058 0.5178 0.0328 0.1243 0.0081 57 SER B O 2505 C CB . SER B 57 ? 0.5732 0.6036 0.5351 0.0396 0.1467 0.0605 57 SER B CB 2506 O OG . SER B 57 ? 0.5803 0.6045 0.5731 0.0176 0.1469 0.0571 57 SER B OG 2507 N N . LYS B 58 ? 0.5975 0.6194 0.5290 0.0714 0.1400 0.0391 58 LYS B N 2508 C CA . LYS B 58 ? 0.6155 0.6283 0.5419 0.0865 0.1392 0.0314 58 LYS B CA 2509 C C . LYS B 58 ? 0.6251 0.6147 0.5793 0.0720 0.1429 0.0267 58 LYS B C 2510 O O . LYS B 58 ? 0.6327 0.6201 0.5877 0.0766 0.1376 0.0096 58 LYS B O 2511 C CB . LYS B 58 ? 0.6481 0.6546 0.5530 0.1218 0.1486 0.0522 58 LYS B CB 2512 C CG . LYS B 58 ? 0.6700 0.6826 0.5594 0.1460 0.1418 0.0399 58 LYS B CG 2513 C CD . LYS B 58 ? 0.7157 0.7315 0.5763 0.1869 0.1491 0.0616 58 LYS B CD 2514 C CE . LYS B 58 ? 0.7379 0.7670 0.5835 0.2143 0.1390 0.0468 58 LYS B CE 2515 N NZ . LYS B 58 ? 0.7790 0.8192 0.5905 0.2604 0.1439 0.0677 58 LYS B NZ 2516 N N . ASP B 59 ? 0.6269 0.6022 0.6080 0.0549 0.1512 0.0381 59 ASP B N 2517 C CA . ASP B 59 ? 0.6392 0.5955 0.6560 0.0382 0.1526 0.0263 59 ASP B CA 2518 C C . ASP B 59 ? 0.6114 0.5926 0.6365 0.0130 0.1372 -0.0016 59 ASP B C 2519 O O . ASP B 59 ? 0.6184 0.5945 0.6760 -0.0041 0.1354 -0.0152 59 ASP B O 2520 C CB . ASP B 59 ? 0.6646 0.5951 0.7167 0.0325 0.1705 0.0502 59 ASP B CB 2521 C CG . ASP B 59 ? 0.6517 0.6015 0.7115 0.0180 0.1717 0.0606 59 ASP B CG 2522 O OD1 . ASP B 59 ? 0.6299 0.6066 0.6609 0.0190 0.1614 0.0566 59 ASP B OD1 2523 O OD2 . ASP B 59 ? 0.6745 0.6120 0.7743 0.0055 0.1839 0.0724 59 ASP B OD2 2524 N N . TRP B 60 ? 0.5833 0.5931 0.5808 0.0124 0.1267 -0.0100 60 TRP B N 2525 C CA . TRP B 60 ? 0.5603 0.5983 0.5560 -0.0055 0.1144 -0.0302 60 TRP B CA 2526 C C . TRP B 60 ? 0.5519 0.6020 0.5636 -0.0231 0.1116 -0.0256 60 TRP B C 2527 O O . TRP B 60 ? 0.5462 0.6204 0.5586 -0.0353 0.1016 -0.0416 60 TRP B O 2528 C CB . TRP B 60 ? 0.5705 0.6116 0.5738 -0.0084 0.1084 -0.0579 60 TRP B CB 2529 C CG . TRP B 60 ? 0.5712 0.6044 0.5618 0.0106 0.1102 -0.0640 60 TRP B CG 2530 C CD1 . TRP B 60 ? 0.5928 0.5956 0.5953 0.0258 0.1172 -0.0614 60 TRP B CD1 2531 C CD2 . TRP B 60 ? 0.5486 0.6067 0.5167 0.0177 0.1056 -0.0728 60 TRP B CD2 2532 N NE1 . TRP B 60 ? 0.5935 0.6037 0.5781 0.0447 0.1150 -0.0691 60 TRP B NE1 2533 C CE2 . TRP B 60 ? 0.5662 0.6124 0.5322 0.0386 0.1076 -0.0782 60 TRP B CE2 2534 C CE3 . TRP B 60 ? 0.5185 0.6075 0.4729 0.0087 0.1014 -0.0756 60 TRP B CE3 2535 C CZ2 . TRP B 60 ? 0.5600 0.6302 0.5124 0.0498 0.1034 -0.0905 60 TRP B CZ2 2536 C CZ3 . TRP B 60 ? 0.5137 0.6223 0.4589 0.0169 0.1000 -0.0862 60 TRP B CZ3 2537 C CH2 . TRP B 60 ? 0.5334 0.6355 0.4783 0.0369 0.0999 -0.0956 60 TRP B CH2 2538 N N . SER B 61 ? 0.5556 0.5936 0.5789 -0.0214 0.1207 -0.0034 61 SER B N 2539 C CA . SER B 61 ? 0.5486 0.6019 0.5903 -0.0354 0.1183 0.0020 61 SER B CA 2540 C C . SER B 61 ? 0.5286 0.6024 0.5456 -0.0334 0.1133 0.0110 61 SER B C 2541 O O . SER B 61 ? 0.5256 0.5926 0.5245 -0.0200 0.1189 0.0241 61 SER B O 2542 C CB . SER B 61 ? 0.5606 0.5954 0.6299 -0.0340 0.1334 0.0234 61 SER B CB 2543 O OG . SER B 61 ? 0.5913 0.5973 0.6855 -0.0325 0.1433 0.0222 61 SER B OG 2544 N N . PHE B 62 ? 0.5181 0.6178 0.5358 -0.0444 0.1027 0.0034 62 PHE B N 2545 C CA . PHE B 62 ? 0.5029 0.6177 0.5037 -0.0424 0.0999 0.0156 62 PHE B CA 2546 C C . PHE B 62 ? 0.4988 0.6110 0.5128 -0.0392 0.1056 0.0345 62 PHE B C 2547 O O . PHE B 62 ? 0.5056 0.6161 0.5468 -0.0440 0.1096 0.0370 62 PHE B O 2548 C CB . PHE B 62 ? 0.5025 0.6474 0.4972 -0.0504 0.0887 0.0075 62 PHE B CB 2549 C CG . PHE B 62 ? 0.5051 0.6601 0.4813 -0.0510 0.0855 -0.0082 62 PHE B CG 2550 C CD1 . PHE B 62 ? 0.5140 0.6841 0.4965 -0.0560 0.0779 -0.0315 62 PHE B CD1 2551 C CD2 . PHE B 62 ? 0.4972 0.6499 0.4546 -0.0466 0.0904 -0.0024 62 PHE B CD2 2552 C CE1 . PHE B 62 ? 0.5163 0.7004 0.4807 -0.0542 0.0764 -0.0468 62 PHE B CE1 2553 C CE2 . PHE B 62 ? 0.4962 0.6631 0.4406 -0.0474 0.0901 -0.0158 62 PHE B CE2 2554 C CZ . PHE B 62 ? 0.5067 0.6902 0.4517 -0.0500 0.0836 -0.0368 62 PHE B CZ 2555 N N . TYR B 63 ? 0.4915 0.6040 0.4912 -0.0312 0.1072 0.0462 63 TYR B N 2556 C CA . TYR B 63 ? 0.4887 0.6036 0.4987 -0.0254 0.1118 0.0621 63 TYR B CA 2557 C C . TYR B 63 ? 0.4838 0.6055 0.4834 -0.0215 0.1076 0.0690 63 TYR B C 2558 O O . TYR B 63 ? 0.4840 0.6001 0.4688 -0.0203 0.1063 0.0642 63 TYR B O 2559 C CB . TYR B 63 ? 0.4976 0.5956 0.5051 -0.0112 0.1245 0.0710 63 TYR B CB 2560 C CG . TYR B 63 ? 0.5040 0.5919 0.4866 0.0025 0.1251 0.0653 63 TYR B CG 2561 C CD1 . TYR B 63 ? 0.5090 0.5996 0.4838 0.0109 0.1230 0.0653 63 TYR B CD1 2562 C CD2 . TYR B 63 ? 0.5165 0.5937 0.4881 0.0085 0.1270 0.0573 63 TYR B CD2 2563 C CE1 . TYR B 63 ? 0.5176 0.6040 0.4778 0.0226 0.1214 0.0532 63 TYR B CE1 2564 C CE2 . TYR B 63 ? 0.5283 0.6043 0.4808 0.0226 0.1250 0.0479 63 TYR B CE2 2565 C CZ . TYR B 63 ? 0.5268 0.6092 0.4754 0.0286 0.1216 0.0440 63 TYR B CZ 2566 O OH . TYR B 63 ? 0.5403 0.6261 0.4779 0.0416 0.1175 0.0282 63 TYR B OH 2567 N N . ILE B 64 ? 0.4827 0.6161 0.4955 -0.0194 0.1067 0.0804 64 ILE B N 2568 C CA . ILE B 64 ? 0.4830 0.6181 0.4915 -0.0131 0.1044 0.0901 64 ILE B CA 2569 C C . ILE B 64 ? 0.4838 0.6232 0.5076 -0.0025 0.1088 0.1011 64 ILE B C 2570 O O . ILE B 64 ? 0.4821 0.6372 0.5252 -0.0053 0.1098 0.1043 64 ILE B O 2571 C CB . ILE B 64 ? 0.4882 0.6428 0.4922 -0.0194 0.0951 0.0943 64 ILE B CB 2572 C CG1 . ILE B 64 ? 0.4979 0.6462 0.4992 -0.0112 0.0964 0.1097 64 ILE B CG1 2573 C CG2 . ILE B 64 ? 0.4885 0.6725 0.5088 -0.0238 0.0867 0.0929 64 ILE B CG2 2574 C CD1 . ILE B 64 ? 0.5118 0.6731 0.4999 -0.0140 0.0930 0.1191 64 ILE B CD1 2575 N N . LEU B 65 ? 0.4884 0.6152 0.5086 0.0094 0.1120 0.1042 65 LEU B N 2576 C CA . LEU B 65 ? 0.4925 0.6246 0.5258 0.0229 0.1166 0.1121 65 LEU B CA 2577 C C . LEU B 65 ? 0.5019 0.6372 0.5440 0.0284 0.1113 0.1228 65 LEU B C 2578 O O . LEU B 65 ? 0.5101 0.6269 0.5483 0.0311 0.1107 0.1225 65 LEU B O 2579 C CB . LEU B 65 ? 0.4979 0.6165 0.5223 0.0384 0.1244 0.1035 65 LEU B CB 2580 C CG . LEU B 65 ? 0.5056 0.6325 0.5400 0.0567 0.1309 0.1081 65 LEU B CG 2581 C CD1 . LEU B 65 ? 0.4998 0.6466 0.5457 0.0575 0.1410 0.1192 65 LEU B CD1 2582 C CD2 . LEU B 65 ? 0.5182 0.6344 0.5399 0.0749 0.1338 0.0923 65 LEU B CD2 2583 N N . ALA B 66 ? 0.5038 0.6633 0.5625 0.0306 0.1082 0.1328 66 ALA B N 2584 C CA . ALA B 66 ? 0.5184 0.6843 0.5869 0.0418 0.1036 0.1461 66 ALA B CA 2585 C C . ALA B 66 ? 0.5243 0.6915 0.6083 0.0590 0.1106 0.1470 66 ALA B C 2586 O O . ALA B 66 ? 0.5183 0.6986 0.6102 0.0601 0.1182 0.1430 66 ALA B O 2587 C CB . ALA B 66 ? 0.5188 0.7197 0.5960 0.0375 0.0927 0.1536 66 ALA B CB 2588 N N . HIS B 67 ? 0.5428 0.6960 0.6330 0.0736 0.1102 0.1530 67 HIS B N 2589 C CA . HIS B 67 ? 0.5529 0.7096 0.6587 0.0934 0.1161 0.1511 67 HIS B CA 2590 C C . HIS B 67 ? 0.5759 0.7246 0.6966 0.1094 0.1123 0.1634 67 HIS B C 2591 O O . HIS B 67 ? 0.5904 0.7168 0.7073 0.1067 0.1091 0.1729 67 HIS B O 2592 C CB . HIS B 67 ? 0.5556 0.6927 0.6518 0.1014 0.1244 0.1318 67 HIS B CB 2593 C CG . HIS B 67 ? 0.5765 0.6782 0.6713 0.1031 0.1222 0.1211 67 HIS B CG 2594 N ND1 . HIS B 67 ? 0.5995 0.6839 0.7117 0.1208 0.1234 0.1138 67 HIS B ND1 2595 C CD2 . HIS B 67 ? 0.5793 0.6606 0.6645 0.0884 0.1200 0.1146 67 HIS B CD2 2596 C CE1 . HIS B 67 ? 0.6160 0.6688 0.7337 0.1150 0.1222 0.1026 67 HIS B CE1 2597 N NE2 . HIS B 67 ? 0.6035 0.6560 0.7048 0.0952 0.1207 0.1039 67 HIS B NE2 2598 N N . THR B 68 ? 0.5820 0.7496 0.7217 0.1275 0.1149 0.1652 68 THR B N 2599 C CA . THR B 68 ? 0.6066 0.7676 0.7643 0.1478 0.1119 0.1768 68 THR B CA 2600 C C . THR B 68 ? 0.6164 0.7851 0.7917 0.1708 0.1193 0.1656 68 THR B C 2601 O O . THR B 68 ? 0.6009 0.7949 0.7756 0.1714 0.1270 0.1560 68 THR B O 2602 C CB . THR B 68 ? 0.6083 0.8034 0.7736 0.1498 0.1012 0.1984 68 THR B CB 2603 O OG1 . THR B 68 ? 0.6405 0.8296 0.8233 0.1747 0.0992 0.2123 68 THR B OG1 2604 C CG2 . THR B 68 ? 0.5848 0.8309 0.7640 0.1443 0.1000 0.1939 68 THR B CG2 2605 N N . GLU B 69 ? 0.6461 0.7921 0.8381 0.1912 0.1188 0.1678 69 GLU B N 2606 C CA . GLU B 69 ? 0.6616 0.8191 0.8733 0.2175 0.1243 0.1572 69 GLU B CA 2607 C C . GLU B 69 ? 0.6550 0.8612 0.8849 0.2273 0.1212 0.1738 69 GLU B C 2608 O O . GLU B 69 ? 0.6585 0.8756 0.8923 0.2251 0.1111 0.1949 69 GLU B O 2609 C CB . GLU B 69 ? 0.6994 0.8124 0.9298 0.2365 0.1241 0.1518 69 GLU B CB 2610 C CG . GLU B 69 ? 0.7167 0.7958 0.9439 0.2361 0.1285 0.1194 69 GLU B CG 2611 C CD . GLU B 69 ? 0.7577 0.7805 1.0055 0.2352 0.1273 0.1181 69 GLU B CD 2612 O OE1 . GLU B 69 ? 0.7900 0.7940 1.0640 0.2527 0.1272 0.1333 69 GLU B OE1 2613 O OE2 . GLU B 69 ? 0.7558 0.7534 0.9976 0.2175 0.1276 0.1027 69 GLU B OE2 2614 N N . PHE B 70 ? 0.6484 0.8893 0.8901 0.2397 0.1304 0.1637 70 PHE B N 2615 C CA . PHE B 70 ? 0.6410 0.9353 0.9096 0.2492 0.1295 0.1752 70 PHE B CA 2616 C C . PHE B 70 ? 0.6495 0.9692 0.9352 0.2738 0.1431 0.1626 70 PHE B C 2617 O O . PHE B 70 ? 0.6522 0.9619 0.9217 0.2781 0.1550 0.1451 70 PHE B O 2618 C CB . PHE B 70 ? 0.6102 0.9428 0.8803 0.2222 0.1278 0.1823 70 PHE B CB 2619 C CG . PHE B 70 ? 0.5913 0.9466 0.8626 0.2135 0.1454 0.1736 70 PHE B CG 2620 C CD1 . PHE B 70 ? 0.5881 0.9128 0.8295 0.2102 0.1558 0.1616 70 PHE B CD1 2621 C CD2 . PHE B 70 ? 0.5758 0.9859 0.8809 0.2095 0.1526 0.1791 70 PHE B CD2 2622 C CE1 . PHE B 70 ? 0.5777 0.9242 0.8163 0.2068 0.1743 0.1601 70 PHE B CE1 2623 C CE2 . PHE B 70 ? 0.5625 0.9915 0.8720 0.2019 0.1737 0.1778 70 PHE B CE2 2624 C CZ . PHE B 70 ? 0.5643 0.9604 0.8372 0.2022 0.1852 0.1709 70 PHE B CZ 2625 N N . THR B 71 ? 0.6571 1.0144 0.9744 0.2931 0.1410 0.1707 71 THR B N 2626 C CA . THR B 71 ? 0.6634 1.0593 1.0013 0.3157 0.1559 0.1610 71 THR B CA 2627 C C . THR B 71 ? 0.6399 1.1022 1.0091 0.3044 0.1599 0.1727 71 THR B C 2628 O O . THR B 71 ? 0.6394 1.1300 1.0345 0.3074 0.1460 0.1840 71 THR B O 2629 C CB . THR B 71 ? 0.6977 1.0840 1.0557 0.3530 0.1528 0.1552 71 THR B CB 2630 O OG1 . THR B 71 ? 0.7078 1.1162 1.0917 0.3611 0.1385 0.1749 71 THR B OG1 2631 C CG2 . THR B 71 ? 0.7243 1.0407 1.0642 0.3605 0.1480 0.1418 71 THR B CG2 2632 N N . PRO B 72 ? 0.6243 1.1130 0.9938 0.2918 0.1794 0.1704 72 PRO B N 2633 C CA . PRO B 72 ? 0.6050 1.1547 1.0155 0.2767 0.1867 0.1801 72 PRO B CA 2634 C C . PRO B 72 ? 0.6153 1.2200 1.0692 0.3034 0.1943 0.1802 72 PRO B C 2635 O O . PRO B 72 ? 0.6356 1.2386 1.0823 0.3325 0.2069 0.1715 72 PRO B O 2636 C CB . PRO B 72 ? 0.5963 1.1469 0.9930 0.2601 0.2107 0.1815 72 PRO B CB 2637 C CG . PRO B 72 ? 0.6168 1.1308 0.9706 0.2829 0.2193 0.1691 72 PRO B CG 2638 C CD . PRO B 72 ? 0.6278 1.0919 0.9621 0.2915 0.1958 0.1598 72 PRO B CD 2639 N N . THR B 73 ? 0.6037 1.2607 1.1040 0.2951 0.1849 0.1866 73 THR B N 2640 C CA . THR B 73 ? 0.6101 1.3333 1.1625 0.3155 0.1938 0.1866 73 THR B CA 2641 C C . THR B 73 ? 0.5885 1.3733 1.1955 0.2862 0.2013 0.1905 73 THR B C 2642 O O . THR B 73 ? 0.5715 1.3450 1.1763 0.2533 0.1925 0.1910 73 THR B O 2643 C CB . THR B 73 ? 0.6275 1.3611 1.1952 0.3455 0.1703 0.1869 73 THR B CB 2644 O OG1 . THR B 73 ? 0.6213 1.3330 1.1730 0.3322 0.1425 0.1930 73 THR B OG1 2645 C CG2 . THR B 73 ? 0.6578 1.3457 1.1968 0.3816 0.1734 0.1801 73 THR B CG2 2646 N N . GLU B 74 ? 0.5917 1.4420 1.2524 0.2980 0.2182 0.1910 74 GLU B N 2647 C CA . GLU B 74 ? 0.5760 1.4891 1.3033 0.2697 0.2317 0.1933 74 GLU B CA 2648 C C . GLU B 74 ? 0.5580 1.4859 1.3116 0.2397 0.2030 0.1859 74 GLU B C 2649 O O . GLU B 74 ? 0.5442 1.4683 1.3137 0.2035 0.2108 0.1856 74 GLU B O 2650 C CB . GLU B 74 ? 0.5840 1.5745 1.3744 0.2917 0.2460 0.1925 74 GLU B CB 2651 N N . THR B 75 ? 0.5627 1.5072 1.3189 0.2578 0.1701 0.1798 75 THR B N 2652 C CA . THR B 75 ? 0.5514 1.5273 1.3336 0.2379 0.1395 0.1690 75 THR B CA 2653 C C . THR B 75 ? 0.5491 1.4615 1.2680 0.2245 0.1187 0.1696 75 THR B C 2654 O O . THR B 75 ? 0.5395 1.4727 1.2743 0.2010 0.0991 0.1579 75 THR B O 2655 C CB . THR B 75 ? 0.5630 1.5991 1.3774 0.2685 0.1124 0.1639 75 THR B CB 2656 O OG1 . THR B 75 ? 0.5868 1.5752 1.3461 0.3071 0.1029 0.1760 75 THR B OG1 2657 C CG2 . THR B 75 ? 0.5607 1.6775 1.4541 0.2765 0.1298 0.1585 75 THR B CG2 2658 N N . ASP B 76 ? 0.5600 1.3995 1.2115 0.2399 0.1231 0.1803 76 ASP B N 2659 C CA . ASP B 76 ? 0.5617 1.3413 1.1536 0.2312 0.1052 0.1832 76 ASP B CA 2660 C C . ASP B 76 ? 0.5423 1.3004 1.1260 0.1911 0.1112 0.1767 76 ASP B C 2661 O O . ASP B 76 ? 0.5363 1.2690 1.1139 0.1777 0.1377 0.1793 76 ASP B O 2662 C CB . ASP B 76 ? 0.5802 1.2887 1.1147 0.2548 0.1110 0.1930 76 ASP B CB 2663 C CG . ASP B 76 ? 0.6062 1.3145 1.1353 0.2923 0.0930 0.2019 76 ASP B CG 2664 O OD1 . ASP B 76 ? 0.6099 1.3761 1.1723 0.3034 0.0742 0.2025 76 ASP B OD1 2665 O OD2 . ASP B 76 ? 0.6252 1.2757 1.1196 0.3121 0.0976 0.2077 76 ASP B OD2 2666 N N . THR B 77 ? 0.5372 1.3078 1.1192 0.1756 0.0861 0.1681 77 THR B N 2667 C CA . THR B 77 ? 0.5214 1.2754 1.1009 0.1390 0.0874 0.1576 77 THR B CA 2668 C C . THR B 77 ? 0.5255 1.2131 1.0337 0.1372 0.0783 0.1634 77 THR B C 2669 O O . THR B 77 ? 0.5398 1.2221 1.0168 0.1549 0.0567 0.1691 77 THR B O 2670 C CB . THR B 77 ? 0.5151 1.3353 1.1477 0.1211 0.0649 0.1359 77 THR B CB 2671 O OG1 . THR B 77 ? 0.5161 1.4078 1.2184 0.1296 0.0671 0.1299 77 THR B OG1 2672 C CG2 . THR B 77 ? 0.5013 1.3097 1.1556 0.0814 0.0747 0.1216 77 THR B CG2 2673 N N . TYR B 78 ? 0.5163 1.1559 1.0011 0.1171 0.0964 0.1639 78 TYR B N 2674 C CA . TYR B 78 ? 0.5179 1.0977 0.9419 0.1120 0.0907 0.1668 78 TYR B CA 2675 C C . TYR B 78 ? 0.5065 1.0796 0.9348 0.0792 0.0898 0.1535 78 TYR B C 2676 O O . TYR B 78 ? 0.4977 1.0810 0.9636 0.0601 0.1075 0.1487 78 TYR B O 2677 C CB . TYR B 78 ? 0.5229 1.0472 0.9081 0.1248 0.1107 0.1771 78 TYR B CB 2678 C CG . TYR B 78 ? 0.5409 1.0599 0.9177 0.1584 0.1088 0.1862 78 TYR B CG 2679 C CD1 . TYR B 78 ? 0.5446 1.0949 0.9543 0.1765 0.1228 0.1877 78 TYR B CD1 2680 C CD2 . TYR B 78 ? 0.5594 1.0418 0.8995 0.1728 0.0950 0.1939 78 TYR B CD2 2681 C CE1 . TYR B 78 ? 0.5658 1.1095 0.9711 0.2094 0.1206 0.1930 78 TYR B CE1 2682 C CE2 . TYR B 78 ? 0.5821 1.0534 0.9213 0.2040 0.0944 0.2023 78 TYR B CE2 2683 C CZ . TYR B 78 ? 0.5853 1.0866 0.9567 0.2227 0.1060 0.1999 78 TYR B CZ 2684 O OH . TYR B 78 ? 0.6113 1.0998 0.9847 0.2554 0.1050 0.2053 78 TYR B OH 2685 N N . ALA B 79 ? 0.5108 1.0668 0.9027 0.0741 0.0708 0.1487 79 ALA B N 2686 C CA . ALA B 79 ? 0.5048 1.0569 0.9001 0.0460 0.0660 0.1316 79 ALA B CA 2687 C C . ALA B 79 ? 0.5098 1.0163 0.8445 0.0445 0.0582 0.1337 79 ALA B C 2688 O O . ALA B 79 ? 0.5219 1.0102 0.8176 0.0643 0.0513 0.1479 79 ALA B O 2689 C CB . ALA B 79 ? 0.5054 1.1236 0.9487 0.0369 0.0442 0.1096 79 ALA B CB 2690 N N . CYS B 80 ? 0.5038 0.9918 0.8359 0.0211 0.0612 0.1201 80 CYS B N 2691 C CA . CYS B 80 ? 0.5068 0.9600 0.7886 0.0170 0.0543 0.1180 80 CYS B CA 2692 C C . CYS B 80 ? 0.5101 0.9972 0.8041 0.0023 0.0343 0.0931 80 CYS B C 2693 O O . CYS B 80 ? 0.5043 1.0010 0.8389 -0.0190 0.0377 0.0734 80 CYS B O 2694 C CB . CYS B 80 ? 0.5005 0.8993 0.7617 0.0072 0.0752 0.1219 80 CYS B CB 2695 S SG . CYS B 80 ? 0.5049 0.8561 0.7026 0.0097 0.0720 0.1258 80 CYS B SG 2696 N N . ARG B 81 ? 0.5244 1.0302 0.7847 0.0156 0.0145 0.0940 81 ARG B N 2697 C CA . ARG B 81 ? 0.5333 1.0800 0.7960 0.0085 -0.0076 0.0677 81 ARG B CA 2698 C C . ARG B 81 ? 0.5369 1.0472 0.7508 0.0022 -0.0058 0.0655 81 ARG B C 2699 O O . ARG B 81 ? 0.5427 1.0197 0.7099 0.0147 0.0011 0.0895 81 ARG B O 2700 C CB . ARG B 81 ? 0.5535 1.1571 0.8072 0.0333 -0.0311 0.0716 81 ARG B CB 2701 C CG . ARG B 81 ? 0.5663 1.2352 0.8377 0.0300 -0.0582 0.0361 81 ARG B CG 2702 C CD . ARG B 81 ? 0.5932 1.3177 0.8385 0.0625 -0.0812 0.0463 81 ARG B CD 2703 N NE . ARG B 81 ? 0.6097 1.4157 0.8905 0.0634 -0.1104 0.0067 81 ARG B NE 2704 C CZ . ARG B 81 ? 0.6078 1.4703 0.9472 0.0669 -0.1227 -0.0084 81 ARG B CZ 2705 N NH1 . ARG B 81 ? 0.5951 1.4410 0.9612 0.0710 -0.1067 0.0154 81 ARG B NH1 2706 N NH2 . ARG B 81 ? 0.6182 1.5587 0.9922 0.0672 -0.1519 -0.0509 81 ARG B NH2 2707 N N . VAL B 82 ? 0.5353 1.0525 0.7661 -0.0173 -0.0111 0.0351 82 VAL B N 2708 C CA . VAL B 82 ? 0.5383 1.0229 0.7292 -0.0242 -0.0080 0.0289 82 VAL B CA 2709 C C . VAL B 82 ? 0.5549 1.0847 0.7434 -0.0268 -0.0305 -0.0051 82 VAL B C 2710 O O . VAL B 82 ? 0.5561 1.1192 0.7954 -0.0400 -0.0419 -0.0387 82 VAL B O 2711 C CB . VAL B 82 ? 0.5231 0.9537 0.7291 -0.0433 0.0137 0.0266 82 VAL B CB 2712 C CG1 . VAL B 82 ? 0.5245 0.9268 0.6927 -0.0484 0.0154 0.0179 82 VAL B CG1 2713 C CG2 . VAL B 82 ? 0.5113 0.9026 0.7104 -0.0361 0.0349 0.0571 82 VAL B CG2 2714 N N . LYS B 83 ? 0.5704 1.1029 0.7030 -0.0136 -0.0359 0.0025 83 LYS B N 2715 C CA . LYS B 83 ? 0.5914 1.1661 0.7090 -0.0118 -0.0551 -0.0295 83 LYS B CA 2716 C C . LYS B 83 ? 0.5881 1.1208 0.6836 -0.0244 -0.0433 -0.0393 83 LYS B C 2717 O O . LYS B 83 ? 0.5825 1.0709 0.6416 -0.0214 -0.0257 -0.0109 83 LYS B O 2718 C CB . LYS B 83 ? 0.6193 1.2391 0.6863 0.0171 -0.0686 -0.0119 83 LYS B CB 2719 C CG . LYS B 83 ? 0.6332 1.3078 0.7191 0.0354 -0.0858 -0.0070 83 LYS B CG 2720 C CD . LYS B 83 ? 0.6724 1.3819 0.7004 0.0690 -0.0939 0.0220 83 LYS B CD 2721 C CE . LYS B 83 ? 0.6877 1.4463 0.7327 0.0920 -0.1094 0.0337 83 LYS B CE 2722 N NZ . LYS B 83 ? 0.7313 1.5207 0.7180 0.1291 -0.1147 0.0693 83 LYS B NZ 2723 N N . HIS B 84 ? 0.5937 1.1420 0.7168 -0.0380 -0.0537 -0.0824 84 HIS B N 2724 C CA . HIS B 84 ? 0.5939 1.1086 0.7011 -0.0477 -0.0452 -0.0974 84 HIS B CA 2725 C C . HIS B 84 ? 0.6171 1.1784 0.7367 -0.0493 -0.0669 -0.1488 84 HIS B C 2726 O O . HIS B 84 ? 0.6278 1.2363 0.7908 -0.0520 -0.0864 -0.1801 84 HIS B O 2727 C CB . HIS B 84 ? 0.5734 1.0258 0.7166 -0.0675 -0.0243 -0.0931 84 HIS B CB 2728 C CG . HIS B 84 ? 0.5734 0.9827 0.6904 -0.0714 -0.0114 -0.0946 84 HIS B CG 2729 N ND1 . HIS B 84 ? 0.5848 0.9874 0.7250 -0.0822 -0.0150 -0.1314 84 HIS B ND1 2730 C CD2 . HIS B 84 ? 0.5631 0.9362 0.6374 -0.0651 0.0041 -0.0664 84 HIS B CD2 2731 C CE1 . HIS B 84 ? 0.5828 0.9483 0.6921 -0.0806 -0.0021 -0.1235 84 HIS B CE1 2732 N NE2 . HIS B 84 ? 0.5673 0.9168 0.6377 -0.0710 0.0092 -0.0853 84 HIS B NE2 2733 N N . ALA B 85 ? 0.6272 1.1787 0.7126 -0.0470 -0.0641 -0.1610 85 ALA B N 2734 C CA . ALA B 85 ? 0.6545 1.2519 0.7435 -0.0442 -0.0845 -0.2128 85 ALA B CA 2735 C C . ALA B 85 ? 0.6559 1.2384 0.8194 -0.0673 -0.0895 -0.2591 85 ALA B C 2736 O O . ALA B 85 ? 0.6800 1.3087 0.8671 -0.0670 -0.1117 -0.3117 85 ALA B O 2737 C CB . ALA B 85 ? 0.6659 1.2566 0.6981 -0.0339 -0.0766 -0.2106 85 ALA B CB 2738 N N . SER B 86 ? 0.6344 1.1539 0.8363 -0.0859 -0.0682 -0.2395 86 SER B N 2739 C CA . SER B 86 ? 0.6409 1.1337 0.9183 -0.1086 -0.0652 -0.2724 86 SER B CA 2740 C C . SER B 86 ? 0.6470 1.1820 0.9959 -0.1200 -0.0804 -0.2989 86 SER B C 2741 O O . SER B 86 ? 0.6658 1.2081 1.0808 -0.1360 -0.0895 -0.3466 86 SER B O 2742 C CB . SER B 86 ? 0.6220 1.0373 0.9117 -0.1199 -0.0345 -0.2358 86 SER B CB 2743 O OG . SER B 86 ? 0.6042 1.0108 0.8908 -0.1180 -0.0225 -0.1922 86 SER B OG 2744 N N . MET B 87 ? 0.6340 1.1969 0.9754 -0.1119 -0.0829 -0.2700 87 MET B N 2745 C CA . MET B 87 ? 0.6396 1.2514 1.0496 -0.1205 -0.0979 -0.2932 87 MET B CA 2746 C C . MET B 87 ? 0.6556 1.3548 1.0373 -0.0974 -0.1304 -0.3131 87 MET B C 2747 O O . MET B 87 ? 0.6566 1.3695 0.9610 -0.0725 -0.1323 -0.2815 87 MET B O 2748 C CB . MET B 87 ? 0.6156 1.1980 1.0543 -0.1283 -0.0754 -0.2490 87 MET B CB 2749 C CG . MET B 87 ? 0.6010 1.1618 0.9670 -0.1084 -0.0620 -0.1920 87 MET B CG 2750 S SD . MET B 87 ? 0.5850 1.0911 0.9803 -0.1182 -0.0283 -0.1448 87 MET B SD 2751 C CE . MET B 87 ? 0.5689 1.0524 0.8750 -0.0926 -0.0194 -0.0933 87 MET B CE 2752 N N . ALA B 88 ? 0.6725 1.4319 1.1206 -0.1049 -0.1552 -0.3655 88 ALA B N 2753 C CA . ALA B 88 ? 0.6949 1.5492 1.1222 -0.0800 -0.1906 -0.3931 88 ALA B CA 2754 C C . ALA B 88 ? 0.6824 1.5663 1.0907 -0.0618 -0.1919 -0.3495 88 ALA B C 2755 O O . ALA B 88 ? 0.6957 1.6176 1.0310 -0.0298 -0.2032 -0.3270 88 ALA B O 2756 C CB . ALA B 88 ? 0.7177 1.6310 1.2314 -0.0942 -0.2188 -0.4692 88 ALA B CB 2757 N N . GLU B 89 ? 0.6615 1.5278 1.1372 -0.0806 -0.1784 -0.3360 89 GLU B N 2758 C CA . GLU B 89 ? 0.6489 1.5362 1.1146 -0.0643 -0.1762 -0.2945 89 GLU B CA 2759 C C . GLU B 89 ? 0.6216 1.4258 1.0505 -0.0664 -0.1396 -0.2307 89 GLU B C 2760 O O . GLU B 89 ? 0.6074 1.3457 1.0623 -0.0901 -0.1142 -0.2239 89 GLU B O 2761 C CB . GLU B 89 ? 0.6452 1.5783 1.2115 -0.0807 -0.1850 -0.3223 89 GLU B CB 2762 C CG . GLU B 89 ? 0.6762 1.7040 1.2900 -0.0774 -0.2257 -0.3922 89 GLU B CG 2763 C CD . GLU B 89 ? 0.7025 1.8110 1.2473 -0.0343 -0.2575 -0.3907 89 GLU B CD 2764 O OE1 . GLU B 89 ? 0.6956 1.8048 1.1970 -0.0109 -0.2507 -0.3384 89 GLU B OE1 2765 O OE2 . GLU B 89 ? 0.7334 1.9061 1.2679 -0.0214 -0.2892 -0.4422 89 GLU B OE2 2766 N N . PRO B 90 ? 0.6192 1.4270 0.9887 -0.0394 -0.1372 -0.1847 90 PRO B N 2767 C CA . PRO B 90 ? 0.5963 1.3324 0.9362 -0.0391 -0.1057 -0.1302 90 PRO B CA 2768 C C . PRO B 90 ? 0.5751 1.2864 0.9851 -0.0601 -0.0853 -0.1228 90 PRO B C 2769 O O . PRO B 90 ? 0.5772 1.3403 1.0514 -0.0649 -0.0967 -0.1433 90 PRO B O 2770 C CB . PRO B 90 ? 0.6060 1.3695 0.8941 -0.0056 -0.1136 -0.0940 90 PRO B CB 2771 C CG . PRO B 90 ? 0.6386 1.4717 0.8957 0.0150 -0.1440 -0.1199 90 PRO B CG 2772 C CD . PRO B 90 ? 0.6437 1.5227 0.9699 -0.0050 -0.1638 -0.1819 90 PRO B CD 2773 N N . LYS B 91 ? 0.5580 1.1961 0.9568 -0.0710 -0.0551 -0.0943 91 LYS B N 2774 C CA . LYS B 91 ? 0.5436 1.1568 1.0010 -0.0877 -0.0308 -0.0817 91 LYS B CA 2775 C C . LYS B 91 ? 0.5312 1.1322 0.9656 -0.0694 -0.0165 -0.0386 91 LYS B C 2776 O O . LYS B 91 ? 0.5287 1.0947 0.8978 -0.0528 -0.0100 -0.0097 91 LYS B O 2777 C CB . LYS B 91 ? 0.5410 1.0876 1.0069 -0.1081 -0.0060 -0.0796 91 LYS B CB 2778 C CG . LYS B 91 ? 0.5340 1.0530 1.0533 -0.1218 0.0241 -0.0592 91 LYS B CG 2779 C CD . LYS B 91 ? 0.5497 1.0386 1.1260 -0.1484 0.0385 -0.0782 91 LYS B CD 2780 C CE . LYS B 91 ? 0.5565 1.0401 1.2042 -0.1623 0.0671 -0.0602 91 LYS B CE 2781 N NZ . LYS B 91 ? 0.5768 1.0504 1.3100 -0.1915 0.0772 -0.0859 91 LYS B NZ 2782 N N . THR B 92 ? 0.5263 1.1590 1.0208 -0.0729 -0.0115 -0.0374 92 THR B N 2783 C CA . THR B 92 ? 0.5181 1.1431 1.0025 -0.0557 0.0035 -0.0015 92 THR B CA 2784 C C . THR B 92 ? 0.5093 1.1098 1.0461 -0.0729 0.0350 0.0096 92 THR B C 2785 O O . THR B 92 ? 0.5125 1.1408 1.1253 -0.0945 0.0378 -0.0121 92 THR B O 2786 C CB . THR B 92 ? 0.5248 1.2216 1.0327 -0.0372 -0.0183 -0.0067 92 THR B CB 2787 O OG1 . THR B 92 ? 0.5450 1.2790 1.0153 -0.0222 -0.0495 -0.0230 92 THR B OG1 2788 C CG2 . THR B 92 ? 0.5207 1.2036 1.0018 -0.0123 -0.0059 0.0309 92 THR B CG2 2789 N N . VAL B 93 ? 0.5021 1.0525 1.0005 -0.0628 0.0596 0.0430 93 VAL B N 2790 C CA . VAL B 93 ? 0.4996 1.0359 1.0381 -0.0698 0.0916 0.0613 93 VAL B CA 2791 C C . VAL B 93 ? 0.4954 1.0390 1.0153 -0.0444 0.1011 0.0876 93 VAL B C 2792 O O . VAL B 93 ? 0.4935 1.0153 0.9517 -0.0229 0.0938 0.1005 93 VAL B O 2793 C CB . VAL B 93 ? 0.5028 0.9761 1.0229 -0.0806 0.1174 0.0738 93 VAL B CB 2794 C CG1 . VAL B 93 ? 0.5093 0.9712 1.0478 -0.1033 0.1073 0.0457 93 VAL B CG1 2795 C CG2 . VAL B 93 ? 0.4995 0.9261 0.9390 -0.0596 0.1227 0.0954 93 VAL B CG2 2796 N N . TYR B 94 ? 0.4965 1.0716 1.0754 -0.0471 0.1185 0.0942 94 TYR B N 2797 C CA . TYR B 94 ? 0.4954 1.0882 1.0679 -0.0218 0.1268 0.1139 94 TYR B CA 2798 C C . TYR B 94 ? 0.4990 1.0513 1.0459 -0.0118 0.1605 0.1408 94 TYR B C 2799 O O . TYR B 94 ? 0.5041 1.0349 1.0701 -0.0274 0.1851 0.1485 94 TYR B O 2800 C CB . TYR B 94 ? 0.4950 1.1582 1.1475 -0.0259 0.1248 0.1037 94 TYR B CB 2801 C CG . TYR B 94 ? 0.4982 1.2148 1.1659 -0.0226 0.0867 0.0778 94 TYR B CG 2802 C CD1 . TYR B 94 ? 0.5030 1.2450 1.2113 -0.0473 0.0685 0.0451 94 TYR B CD1 2803 C CD2 . TYR B 94 ? 0.5042 1.2476 1.1454 0.0081 0.0684 0.0851 94 TYR B CD2 2804 C CE1 . TYR B 94 ? 0.5109 1.3109 1.2282 -0.0394 0.0314 0.0186 94 TYR B CE1 2805 C CE2 . TYR B 94 ? 0.5121 1.3095 1.1615 0.0169 0.0333 0.0649 94 TYR B CE2 2806 C CZ . TYR B 94 ? 0.5152 1.3442 1.2001 -0.0060 0.0141 0.0309 94 TYR B CZ 2807 O OH . TYR B 94 ? 0.5271 1.4179 1.2154 0.0072 -0.0224 0.0084 94 TYR B OH 2808 N N . TRP B 95 ? 0.5007 1.0440 1.0048 0.0168 0.1611 0.1544 95 TRP B N 2809 C CA . TRP B 95 ? 0.5095 1.0261 0.9864 0.0335 0.1893 0.1746 95 TRP B CA 2810 C C . TRP B 95 ? 0.5178 1.0776 1.0532 0.0351 0.2156 0.1857 95 TRP B C 2811 O O . TRP B 95 ? 0.5152 1.1240 1.0887 0.0439 0.2082 0.1814 95 TRP B O 2812 C CB . TRP B 95 ? 0.5120 1.0082 0.9339 0.0635 0.1791 0.1783 95 TRP B CB 2813 C CG . TRP B 95 ? 0.5216 1.0033 0.9190 0.0866 0.2038 0.1913 95 TRP B CG 2814 C CD1 . TRP B 95 ? 0.5297 0.9749 0.8896 0.0895 0.2217 0.1984 95 TRP B CD1 2815 C CD2 . TRP B 95 ? 0.5288 1.0369 0.9351 0.1141 0.2114 0.1958 95 TRP B CD2 2816 N NE1 . TRP B 95 ? 0.5422 0.9930 0.8850 0.1176 0.2394 0.2054 95 TRP B NE1 2817 C CE2 . TRP B 95 ? 0.5438 1.0315 0.9155 0.1325 0.2341 0.2032 95 TRP B CE2 2818 C CE3 . TRP B 95 ? 0.5271 1.0776 0.9673 0.1278 0.2006 0.1930 95 TRP B CE3 2819 C CZ2 . TRP B 95 ? 0.5598 1.0679 0.9297 0.1634 0.2466 0.2050 95 TRP B CZ2 2820 C CZ3 . TRP B 95 ? 0.5404 1.1073 0.9813 0.1577 0.2138 0.1971 95 TRP B CZ3 2821 C CH2 . TRP B 95 ? 0.5580 1.1037 0.9641 0.1748 0.2368 0.2017 95 TRP B CH2 2822 N N . ASP B 96 ? 0.5317 1.0753 1.0749 0.0281 0.2477 0.2021 96 ASP B N 2823 C CA . ASP B 96 ? 0.5469 1.1278 1.1398 0.0318 0.2808 0.2197 96 ASP B CA 2824 C C . ASP B 96 ? 0.5670 1.1244 1.1036 0.0610 0.3064 0.2407 96 ASP B C 2825 O O . ASP B 96 ? 0.5801 1.0978 1.0814 0.0599 0.3214 0.2529 96 ASP B O 2826 C CB . ASP B 96 ? 0.5543 1.1433 1.2171 -0.0014 0.3013 0.2244 96 ASP B CB 2827 C CG . ASP B 96 ? 0.5703 1.2078 1.3023 -0.0023 0.3367 0.2431 96 ASP B CG 2828 O OD1 . ASP B 96 ? 0.5719 1.2473 1.3035 0.0222 0.3403 0.2470 96 ASP B OD1 2829 O OD2 . ASP B 96 ? 0.5874 1.2250 1.3788 -0.0276 0.3629 0.2543 96 ASP B OD2 2830 N N . ARG B 97 ? 0.5746 1.1600 1.1026 0.0898 0.3094 0.2423 97 ARG B N 2831 C CA . ARG B 97 ? 0.5970 1.1695 1.0695 0.1238 0.3281 0.2534 97 ARG B CA 2832 C C . ARG B 97 ? 0.6231 1.1956 1.0946 0.1266 0.3697 0.2813 97 ARG B C 2833 O O . ARG B 97 ? 0.6396 1.1803 1.0485 0.1454 0.3777 0.2876 97 ARG B O 2834 C CB . ARG B 97 ? 0.6024 1.2149 1.0838 0.1533 0.3270 0.2478 97 ARG B CB 2835 C CG . ARG B 97 ? 0.6042 1.2811 1.1674 0.1442 0.3388 0.2528 97 ARG B CG 2836 C CD . ARG B 97 ? 0.6122 1.3202 1.1867 0.1667 0.3172 0.2375 97 ARG B CD 2837 N NE . ARG B 97 ? 0.6426 1.3452 1.1706 0.2069 0.3261 0.2365 97 ARG B NE 2838 C CZ . ARG B 97 ? 0.6514 1.3601 1.1709 0.2336 0.3067 0.2220 97 ARG B CZ 2839 N NH1 . ARG B 97 ? 0.6392 1.3613 1.1886 0.2270 0.2778 0.2123 97 ARG B NH1 2840 N NH2 . ARG B 97 ? 0.6772 1.3794 1.1586 0.2696 0.3162 0.2165 97 ARG B NH2 2841 N N . ASP B 98 ? 0.6301 1.2400 1.1733 0.1088 0.3965 0.2983 98 ASP B N 2842 C CA . ASP B 98 ? 0.6628 1.2751 1.2143 0.1112 0.4422 0.3329 98 ASP B CA 2843 C C . ASP B 98 ? 0.6698 1.2357 1.2257 0.0839 0.4487 0.3440 98 ASP B C 2844 O O . ASP B 98 ? 0.7019 1.2596 1.2586 0.0877 0.4869 0.3772 98 ASP B O 2845 C CB . ASP B 98 ? 0.6764 1.3509 1.3075 0.1072 0.4760 0.3514 98 ASP B CB 2846 C CG . ASP B 98 ? 0.6529 1.3579 1.3769 0.0697 0.4599 0.3332 98 ASP B CG 2847 O OD1 . ASP B 98 ? 0.6434 1.4078 1.4222 0.0739 0.4656 0.3298 98 ASP B OD1 2848 O OD2 . ASP B 98 ? 0.6458 1.3206 1.3901 0.0379 0.4409 0.3198 98 ASP B OD2 2849 N N . MET B 99 ? 0.6452 1.1819 1.2028 0.0594 0.4127 0.3175 99 MET B N 2850 C CA . MET B 99 ? 0.6526 1.1408 1.2066 0.0368 0.4125 0.3207 99 MET B CA 2851 C C . MET B 99 ? 0.6576 1.0993 1.1177 0.0606 0.4019 0.3199 99 MET B C 2852 O O . MET B 99 ? 0.6419 1.0790 1.0509 0.0786 0.3744 0.2988 99 MET B O 2853 C CB . MET B 99 ? 0.6259 1.1113 1.2253 0.0018 0.3787 0.2888 99 MET B CB 2854 C CG . MET B 99 ? 0.6362 1.0729 1.2375 -0.0217 0.3759 0.2857 99 MET B CG 2855 S SD . MET B 99 ? 0.6860 1.1145 1.3654 -0.0439 0.4250 0.3191 99 MET B SD 2856 C CE . MET B 99 ? 0.6924 1.0522 1.3443 -0.0583 0.4139 0.3116 99 MET B CE 2857 N N . THR C 3 ? 0.4582 0.5233 0.6294 0.1578 -0.0080 0.1364 1 THR C N 2858 C CA . THR C 3 ? 0.4323 0.5085 0.5685 0.1358 -0.0192 0.1054 1 THR C CA 2859 C C . THR C 3 ? 0.4262 0.4601 0.5552 0.1311 -0.0056 0.0714 1 THR C C 2860 O O . THR C 3 ? 0.4445 0.4376 0.5881 0.1399 0.0125 0.0652 1 THR C O 2861 C CB . THR C 3 ? 0.4241 0.5031 0.5209 0.1148 -0.0323 0.0982 1 THR C CB 2862 O OG1 . THR C 3 ? 0.4353 0.4682 0.5247 0.1146 -0.0234 0.0942 1 THR C OG1 2863 C CG2 . THR C 3 ? 0.4311 0.5650 0.5245 0.1111 -0.0478 0.1263 1 THR C CG2 2864 N N . GLN C 4 ? 0.4022 0.4474 0.5083 0.1149 -0.0135 0.0498 2 GLN C N 2865 C CA . GLN C 4 ? 0.3955 0.4140 0.4920 0.1079 -0.0038 0.0221 2 GLN C CA 2866 C C . GLN C 4 ? 0.3893 0.3732 0.4582 0.0933 -0.0040 0.0045 2 GLN C C 2867 O O . GLN C 4 ? 0.3948 0.3553 0.4569 0.0875 0.0051 -0.0143 2 GLN C O 2868 C CB . GLN C 4 ? 0.3809 0.4303 0.4716 0.0986 -0.0104 0.0127 2 GLN C CB 2869 C CG . GLN C 4 ? 0.3907 0.4806 0.5128 0.1115 -0.0094 0.0284 2 GLN C CG 2870 C CD . GLN C 4 ? 0.3891 0.4980 0.5098 0.1029 -0.0081 0.0136 2 GLN C CD 2871 O OE1 . GLN C 4 ? 0.4057 0.5127 0.5461 0.1124 0.0064 0.0085 2 GLN C OE1 2872 N NE2 . GLN C 4 ? 0.3780 0.5030 0.4768 0.0840 -0.0204 0.0058 2 GLN C NE2 2873 N N . VAL C 5 ? 0.3781 0.3639 0.4317 0.0858 -0.0142 0.0112 3 VAL C N 2874 C CA . VAL C 5 ? 0.3698 0.3289 0.4041 0.0737 -0.0145 -0.0008 3 VAL C CA 2875 C C . VAL C 5 ? 0.3827 0.3264 0.4203 0.0779 -0.0123 0.0130 3 VAL C C 2876 O O . VAL C 5 ? 0.3846 0.3489 0.4206 0.0796 -0.0194 0.0300 3 VAL C O 2877 C CB . VAL C 5 ? 0.3497 0.3220 0.3648 0.0592 -0.0244 -0.0082 3 VAL C CB 2878 C CG1 . VAL C 5 ? 0.3492 0.2990 0.3533 0.0496 -0.0236 -0.0166 3 VAL C CG1 2879 C CG2 . VAL C 5 ? 0.3333 0.3210 0.3475 0.0544 -0.0257 -0.0178 3 VAL C CG2 2880 N N . GLU C 6 ? 0.3957 0.3058 0.4365 0.0769 -0.0017 0.0054 4 GLU C N 2881 C CA . GLU C 6 ? 0.4107 0.3013 0.4576 0.0797 0.0034 0.0184 4 GLU C CA 2882 C C . GLU C 6 ? 0.4074 0.2781 0.4395 0.0640 0.0035 0.0047 4 GLU C C 2883 O O . GLU C 6 ? 0.4110 0.2670 0.4387 0.0542 0.0083 -0.0146 4 GLU C O 2884 C CB . GLU C 6 ? 0.4393 0.3056 0.5138 0.0941 0.0209 0.0258 4 GLU C CB 2885 C CG . GLU C 6 ? 0.4467 0.3382 0.5461 0.1141 0.0204 0.0540 4 GLU C CG 2886 N N . GLN C 7 ? 0.4016 0.2774 0.4264 0.0599 -0.0017 0.0157 5 GLN C N 2887 C CA . GLN C 7 ? 0.3965 0.2600 0.4128 0.0461 -0.0016 0.0067 5 GLN C CA 2888 C C . GLN C 7 ? 0.4205 0.2590 0.4466 0.0459 0.0085 0.0161 5 GLN C C 2889 O O . GLN C 7 ? 0.4343 0.2705 0.4710 0.0575 0.0130 0.0367 5 GLN C O 2890 C CB . GLN C 7 ? 0.3768 0.2622 0.3804 0.0397 -0.0104 0.0086 5 GLN C CB 2891 C CG . GLN C 7 ? 0.3536 0.2555 0.3509 0.0360 -0.0169 -0.0031 5 GLN C CG 2892 C CD . GLN C 7 ? 0.3441 0.2586 0.3350 0.0289 -0.0190 -0.0046 5 GLN C CD 2893 O OE1 . GLN C 7 ? 0.3399 0.2708 0.3245 0.0284 -0.0210 -0.0056 5 GLN C OE1 2894 N NE2 . GLN C 7 ? 0.3349 0.2425 0.3300 0.0222 -0.0164 -0.0061 5 GLN C NE2 2895 N N . SER C 8 ? 0.4271 0.2499 0.4517 0.0316 0.0122 0.0030 6 SER C N 2896 C CA . SER C 8 ? 0.4534 0.2500 0.4879 0.0267 0.0236 0.0083 6 SER C CA 2897 C C . SER C 8 ? 0.4452 0.2473 0.4739 0.0086 0.0198 -0.0005 6 SER C C 2898 O O . SER C 8 ? 0.4327 0.2503 0.4549 -0.0012 0.0120 -0.0150 6 SER C O 2899 C CB . SER C 8 ? 0.4843 0.2479 0.5320 0.0258 0.0399 -0.0041 6 SER C CB 2900 O OG . SER C 8 ? 0.5241 0.2567 0.5876 0.0254 0.0552 0.0060 6 SER C OG 2901 N N . PRO C 9 ? 0.4551 0.2498 0.4886 0.0045 0.0249 0.0115 7 PRO C N 2902 C CA . PRO C 9 ? 0.4735 0.2587 0.5130 0.0155 0.0320 0.0359 7 PRO C CA 2903 C C . PRO C 9 ? 0.4551 0.2724 0.4816 0.0248 0.0218 0.0513 7 PRO C C 2904 O O . PRO C 9 ? 0.4307 0.2705 0.4462 0.0220 0.0124 0.0401 7 PRO C O 2905 C CB . PRO C 9 ? 0.4885 0.2622 0.5334 0.0013 0.0395 0.0389 7 PRO C CB 2906 C CG . PRO C 9 ? 0.4629 0.2572 0.5024 -0.0134 0.0308 0.0213 7 PRO C CG 2907 C CD . PRO C 9 ? 0.4527 0.2509 0.4883 -0.0141 0.0247 0.0027 7 PRO C CD 2908 N N . GLN C 10 ? 0.4723 0.2931 0.5006 0.0340 0.0249 0.0772 8 GLN C N 2909 C CA . GLN C 10 ? 0.4666 0.3235 0.4775 0.0363 0.0162 0.0907 8 GLN C CA 2910 C C . GLN C 10 ? 0.4564 0.3264 0.4533 0.0222 0.0165 0.0825 8 GLN C C 2911 O O . GLN C 10 ? 0.4425 0.3372 0.4244 0.0181 0.0111 0.0729 8 GLN C O 2912 C CB . GLN C 10 ? 0.4950 0.3599 0.5108 0.0464 0.0187 0.1254 8 GLN C CB 2913 C CG . GLN C 10 ? 0.5076 0.3952 0.5289 0.0611 0.0111 0.1397 8 GLN C CG 2914 C CD . GLN C 10 ? 0.5394 0.4654 0.5529 0.0646 0.0052 0.1751 8 GLN C CD 2915 O OE1 . GLN C 10 ? 0.5556 0.4913 0.5542 0.0545 0.0074 0.1866 8 GLN C OE1 2916 N NE2 . GLN C 10 ? 0.5504 0.5042 0.5742 0.0776 -0.0023 0.1940 8 GLN C NE2 2917 N N . SER C 11 ? 0.4676 0.3196 0.4728 0.0142 0.0256 0.0855 9 SER C N 2918 C CA . SER C 11 ? 0.4584 0.3218 0.4580 0.0016 0.0294 0.0787 9 SER C CA 2919 C C . SER C 11 ? 0.4659 0.3062 0.4831 -0.0083 0.0376 0.0748 9 SER C C 2920 O O . SER C 11 ? 0.4878 0.3008 0.5171 -0.0072 0.0440 0.0821 9 SER C O 2921 C CB . SER C 11 ? 0.4744 0.3597 0.4566 -0.0008 0.0331 0.0976 9 SER C CB 2922 O OG . SER C 11 ? 0.5066 0.3810 0.4941 0.0047 0.0373 0.1258 9 SER C OG 2923 N N . LEU C 12 ? 0.4505 0.3028 0.4726 -0.0190 0.0392 0.0631 10 LEU C N 2924 C CA . LEU C 12 ? 0.4574 0.2984 0.4971 -0.0325 0.0460 0.0601 10 LEU C CA 2925 C C . LEU C 12 ? 0.4487 0.3129 0.4941 -0.0410 0.0515 0.0593 10 LEU C C 2926 O O . LEU C 12 ? 0.4317 0.3171 0.4715 -0.0365 0.0505 0.0538 10 LEU C O 2927 C CB . LEU C 12 ? 0.4488 0.2820 0.5000 -0.0392 0.0398 0.0415 10 LEU C CB 2928 C CG . LEU C 12 ? 0.4186 0.2787 0.4753 -0.0418 0.0298 0.0280 10 LEU C CG 2929 C CD1 . LEU C 12 ? 0.4197 0.2803 0.4884 -0.0579 0.0258 0.0151 10 LEU C CD1 2930 C CD2 . LEU C 12 ? 0.3981 0.2653 0.4424 -0.0280 0.0213 0.0236 10 LEU C CD2 2931 N N . VAL C 13 ? 0.4636 0.3221 0.5231 -0.0539 0.0602 0.0640 11 VAL C N 2932 C CA . VAL C 13 ? 0.4571 0.3394 0.5292 -0.0624 0.0680 0.0641 11 VAL C CA 2933 C C . VAL C 13 ? 0.4527 0.3431 0.5517 -0.0770 0.0652 0.0551 11 VAL C C 2934 O O . VAL C 13 ? 0.4715 0.3421 0.5769 -0.0895 0.0674 0.0544 11 VAL C O 2935 C CB . VAL C 13 ? 0.4831 0.3626 0.5479 -0.0677 0.0823 0.0818 11 VAL C CB 2936 C CG1 . VAL C 13 ? 0.4747 0.3808 0.5541 -0.0761 0.0934 0.0798 11 VAL C CG1 2937 C CG2 . VAL C 13 ? 0.4915 0.3728 0.5268 -0.0572 0.0827 0.0942 11 VAL C CG2 2938 N N . VAL C 14 ? 0.4309 0.3522 0.5479 -0.0764 0.0614 0.0491 12 VAL C N 2939 C CA . VAL C 14 ? 0.4270 0.3712 0.5727 -0.0914 0.0562 0.0454 12 VAL C CA 2940 C C . VAL C 14 ? 0.4230 0.3999 0.5969 -0.0942 0.0663 0.0528 12 VAL C C 2941 O O . VAL C 14 ? 0.4183 0.4017 0.5906 -0.0819 0.0770 0.0554 12 VAL C O 2942 C CB . VAL C 14 ? 0.4049 0.3662 0.5564 -0.0894 0.0395 0.0371 12 VAL C CB 2943 C CG1 . VAL C 14 ? 0.4173 0.3477 0.5430 -0.0876 0.0324 0.0274 12 VAL C CG1 2944 C CG2 . VAL C 14 ? 0.3824 0.3644 0.5430 -0.0718 0.0391 0.0404 12 VAL C CG2 2945 N N . ARG C 15 ? 0.4320 0.4307 0.6326 -0.1124 0.0649 0.0545 13 ARG C N 2946 C CA . ARG C 15 ? 0.4266 0.4651 0.6644 -0.1150 0.0733 0.0632 13 ARG C CA 2947 C C . ARG C 15 ? 0.4023 0.4799 0.6693 -0.1059 0.0622 0.0668 13 ARG C C 2948 O O . ARG C 15 ? 0.3938 0.4761 0.6546 -0.1087 0.0444 0.0626 13 ARG C O 2949 C CB . ARG C 15 ? 0.4448 0.4967 0.7026 -0.1407 0.0756 0.0656 13 ARG C CB 2950 C CG . ARG C 15 ? 0.4802 0.4995 0.7213 -0.1488 0.0927 0.0694 13 ARG C CG 2951 C CD . ARG C 15 ? 0.5118 0.5459 0.7780 -0.1764 0.0975 0.0714 13 ARG C CD 2952 N NE . ARG C 15 ? 0.5450 0.5564 0.8017 -0.1975 0.0888 0.0591 13 ARG C NE 2953 C CZ . ARG C 15 ? 0.5772 0.5932 0.8504 -0.2274 0.0930 0.0549 13 ARG C CZ 2954 N NH1 . ARG C 15 ? 0.5814 0.6279 0.8836 -0.2388 0.1037 0.0652 13 ARG C NH1 2955 N NH2 . ARG C 15 ? 0.6050 0.5950 0.8668 -0.2480 0.0889 0.0382 13 ARG C NH2 2956 N N . GLN C 16 ? 0.3958 0.5014 0.6963 -0.0946 0.0751 0.0759 14 GLN C N 2957 C CA . GLN C 16 ? 0.3794 0.5269 0.7217 -0.0842 0.0685 0.0873 14 GLN C CA 2958 C C . GLN C 16 ? 0.3760 0.5634 0.7370 -0.1026 0.0453 0.0944 14 GLN C C 2959 O O . GLN C 16 ? 0.3895 0.5938 0.7594 -0.1257 0.0428 0.0945 14 GLN C O 2960 C CB . GLN C 16 ? 0.3799 0.5572 0.7694 -0.0754 0.0902 0.0985 14 GLN C CB 2961 C CG . GLN C 16 ? 0.3837 0.5495 0.7834 -0.0506 0.1097 0.0966 14 GLN C CG 2962 C CD . GLN C 16 ? 0.3914 0.5971 0.8564 -0.0399 0.1298 0.1116 14 GLN C CD 2963 O OE1 . GLN C 16 ? 0.4075 0.6047 0.8791 -0.0358 0.1584 0.1048 14 GLN C OE1 2964 N NE2 . GLN C 16 ? 0.3764 0.6301 0.8917 -0.0362 0.1157 0.1336 14 GLN C NE2 2965 N N . GLY C 17 ? 0.3619 0.5666 0.7273 -0.0951 0.0289 0.1001 15 GLY C N 2966 C CA . GLY C 17 ? 0.3610 0.6169 0.7448 -0.1137 0.0058 0.1099 15 GLY C CA 2967 C C . GLY C 17 ? 0.3763 0.6117 0.7148 -0.1369 -0.0099 0.0903 15 GLY C C 2968 O O . GLY C 17 ? 0.3787 0.6560 0.7217 -0.1565 -0.0294 0.0935 15 GLY C O 2969 N N . GLU C 18 ? 0.3904 0.5641 0.6867 -0.1357 0.0000 0.0707 16 GLU C N 2970 C CA . GLU C 18 ? 0.4103 0.5533 0.6665 -0.1530 -0.0081 0.0503 16 GLU C CA 2971 C C . GLU C 18 ? 0.3962 0.5248 0.6295 -0.1361 -0.0167 0.0470 16 GLU C C 2972 O O . GLU C 18 ? 0.3791 0.4966 0.6156 -0.1101 -0.0103 0.0548 16 GLU C O 2973 C CB . GLU C 18 ? 0.4336 0.5186 0.6638 -0.1561 0.0085 0.0372 16 GLU C CB 2974 C CG . GLU C 18 ? 0.4609 0.5545 0.7115 -0.1754 0.0194 0.0401 16 GLU C CG 2975 C CD . GLU C 18 ? 0.5073 0.5428 0.7344 -0.1775 0.0370 0.0332 16 GLU C CD 2976 O OE1 . GLU C 18 ? 0.4985 0.4944 0.6997 -0.1565 0.0427 0.0330 16 GLU C OE1 2977 O OE2 . GLU C 18 ? 0.5392 0.5721 0.7765 -0.2010 0.0452 0.0305 16 GLU C OE2 2978 N N . ASN C 19 ? 0.4092 0.5391 0.6194 -0.1533 -0.0293 0.0336 17 ASN C N 2979 C CA . ASN C 19 ? 0.4010 0.5156 0.5863 -0.1403 -0.0362 0.0284 17 ASN C CA 2980 C C . ASN C 19 ? 0.4137 0.4642 0.5655 -0.1301 -0.0239 0.0116 17 ASN C C 2981 O O . ASN C 19 ? 0.4367 0.4551 0.5813 -0.1390 -0.0121 0.0025 17 ASN C O 2982 C CB . ASN C 19 ? 0.4126 0.5610 0.5858 -0.1653 -0.0531 0.0205 17 ASN C CB 2983 C CG . ASN C 19 ? 0.4062 0.6300 0.6140 -0.1788 -0.0687 0.0421 17 ASN C CG 2984 O OD1 . ASN C 19 ? 0.3863 0.6375 0.6320 -0.1594 -0.0678 0.0677 17 ASN C OD1 2985 N ND2 . ASN C 19 ? 0.4277 0.6884 0.6244 -0.2134 -0.0818 0.0320 17 ASN C ND2 2986 N N . CYS C 20 ? 0.4025 0.4368 0.5377 -0.1111 -0.0261 0.0105 18 CYS C N 2987 C CA . CYS C 20 ? 0.4150 0.3985 0.5215 -0.1020 -0.0175 -0.0027 18 CYS C CA 2988 C C . CYS C 20 ? 0.4074 0.3888 0.4952 -0.0950 -0.0253 -0.0094 18 CYS C C 2989 O O . CYS C 20 ? 0.3885 0.4015 0.4850 -0.0893 -0.0355 0.0008 18 CYS C O 2990 C CB . CYS C 20 ? 0.4075 0.3656 0.5135 -0.0815 -0.0052 0.0057 18 CYS C CB 2991 S SG . CYS C 20 ? 0.3931 0.3678 0.5088 -0.0581 -0.0056 0.0177 18 CYS C SG 2992 N N . VAL C 21 ? 0.4254 0.3696 0.4914 -0.0952 -0.0185 -0.0247 19 VAL C N 2993 C CA . VAL C 21 ? 0.4258 0.3645 0.4736 -0.0897 -0.0224 -0.0337 19 VAL C CA 2994 C C . VAL C 21 ? 0.4249 0.3269 0.4630 -0.0677 -0.0132 -0.0331 19 VAL C C 2995 O O . VAL C 21 ? 0.4448 0.3145 0.4821 -0.0661 -0.0013 -0.0353 19 VAL C O 2996 C CB . VAL C 21 ? 0.4558 0.3904 0.4886 -0.1146 -0.0206 -0.0563 19 VAL C CB 2997 C CG1 . VAL C 21 ? 0.4611 0.3864 0.4748 -0.1077 -0.0203 -0.0671 19 VAL C CG1 2998 C CG2 . VAL C 21 ? 0.4624 0.4464 0.5012 -0.1407 -0.0335 -0.0558 19 VAL C CG2 2999 N N . LEU C 22 ? 0.4046 0.3148 0.4381 -0.0518 -0.0186 -0.0276 20 LEU C N 3000 C CA . LEU C 22 ? 0.4028 0.2899 0.4275 -0.0335 -0.0130 -0.0260 20 LEU C CA 3001 C C . LEU C 22 ? 0.4096 0.2922 0.4223 -0.0322 -0.0139 -0.0376 20 LEU C C 3002 O O . LEU C 22 ? 0.4021 0.3076 0.4109 -0.0390 -0.0222 -0.0409 20 LEU C O 3003 C CB . LEU C 22 ? 0.3792 0.2784 0.4075 -0.0192 -0.0152 -0.0140 20 LEU C CB 3004 C CG . LEU C 22 ? 0.3740 0.2848 0.4164 -0.0207 -0.0122 -0.0044 20 LEU C CG 3005 C CD1 . LEU C 22 ? 0.3623 0.2759 0.4028 -0.0085 -0.0080 0.0003 20 LEU C CD1 3006 C CD2 . LEU C 22 ? 0.3982 0.2935 0.4429 -0.0277 -0.0042 -0.0022 20 LEU C CD2 3007 N N . GLN C 23 ? 0.4276 0.2833 0.4374 -0.0231 -0.0042 -0.0410 21 GLN C N 3008 C CA . GLN C 23 ? 0.4392 0.2875 0.4419 -0.0207 0.0000 -0.0533 21 GLN C CA 3009 C C . GLN C 23 ? 0.4179 0.2744 0.4194 -0.0021 -0.0038 -0.0445 21 GLN C C 3010 O O . GLN C 23 ? 0.4072 0.2659 0.4124 0.0095 -0.0055 -0.0302 21 GLN C O 3011 C CB . GLN C 23 ? 0.4755 0.2878 0.4845 -0.0211 0.0175 -0.0622 21 GLN C CB 3012 C CG . GLN C 23 ? 0.5222 0.3240 0.5262 -0.0457 0.0261 -0.0854 21 GLN C CG 3013 C CD . GLN C 23 ? 0.5895 0.3495 0.6027 -0.0435 0.0499 -0.0988 21 GLN C CD 3014 O OE1 . GLN C 23 ? 0.6143 0.3686 0.6202 -0.0511 0.0598 -0.1203 21 GLN C OE1 3015 N NE2 . GLN C 23 ? 0.6052 0.3354 0.6368 -0.0324 0.0617 -0.0847 21 GLN C NE2 3016 N N . CYS C 24 ? 0.4153 0.2796 0.4100 -0.0025 -0.0044 -0.0543 22 CYS C N 3017 C CA . CYS C 24 ? 0.4023 0.2742 0.3980 0.0124 -0.0056 -0.0490 22 CYS C CA 3018 C C . CYS C 24 ? 0.4186 0.2811 0.4139 0.0131 0.0051 -0.0631 22 CYS C C 3019 O O . CYS C 24 ? 0.4311 0.2985 0.4152 -0.0020 0.0068 -0.0788 22 CYS C O 3020 C CB . CYS C 24 ? 0.3787 0.2765 0.3693 0.0113 -0.0171 -0.0441 22 CYS C CB 3021 S SG . CYS C 24 ? 0.3787 0.2888 0.3710 0.0251 -0.0186 -0.0389 22 CYS C SG 3022 N N . ASN C 25 ? 0.4220 0.2752 0.4309 0.0299 0.0134 -0.0564 23 ASN C N 3023 C CA . ASN C 25 ? 0.4370 0.2814 0.4532 0.0349 0.0278 -0.0681 23 ASN C CA 3024 C C . ASN C 25 ? 0.4180 0.2848 0.4437 0.0513 0.0230 -0.0553 23 ASN C C 3025 O O . ASN C 25 ? 0.4093 0.2875 0.4428 0.0622 0.0151 -0.0356 23 ASN C O 3026 C CB . ASN C 25 ? 0.4714 0.2801 0.5067 0.0409 0.0482 -0.0703 23 ASN C CB 3027 C CG . ASN C 25 ? 0.4954 0.2823 0.5217 0.0205 0.0539 -0.0853 23 ASN C CG 3028 O OD1 . ASN C 25 ? 0.5154 0.2974 0.5285 0.0012 0.0618 -0.1105 23 ASN C OD1 3029 N ND2 . ASN C 25 ? 0.4959 0.2741 0.5278 0.0216 0.0499 -0.0702 23 ASN C ND2 3030 N N . TYR C 26 ? 0.4155 0.2931 0.4390 0.0501 0.0278 -0.0669 24 TYR C N 3031 C CA . TYR C 26 ? 0.3946 0.2994 0.4269 0.0614 0.0221 -0.0564 24 TYR C CA 3032 C C . TYR C 26 ? 0.4104 0.3171 0.4554 0.0677 0.0382 -0.0669 24 TYR C C 3033 O O . TYR C 26 ? 0.4349 0.3248 0.4721 0.0576 0.0526 -0.0881 24 TYR C O 3034 C CB . TYR C 26 ? 0.3672 0.2958 0.3813 0.0506 0.0055 -0.0549 24 TYR C CB 3035 C CG . TYR C 26 ? 0.3627 0.2955 0.3587 0.0346 0.0058 -0.0696 24 TYR C CG 3036 C CD1 . TYR C 26 ? 0.3620 0.3097 0.3566 0.0331 0.0113 -0.0768 24 TYR C CD1 3037 C CD2 . TYR C 26 ? 0.3558 0.2838 0.3372 0.0198 0.0001 -0.0734 24 TYR C CD2 3038 C CE1 . TYR C 26 ? 0.3670 0.3241 0.3422 0.0166 0.0110 -0.0868 24 TYR C CE1 3039 C CE2 . TYR C 26 ? 0.3605 0.3021 0.3252 0.0036 -0.0018 -0.0815 24 TYR C CE2 3040 C CZ . TYR C 26 ? 0.3674 0.3233 0.3272 0.0017 0.0035 -0.0878 24 TYR C CZ 3041 O OH . TYR C 26 ? 0.3698 0.3444 0.3105 -0.0157 0.0010 -0.0924 24 TYR C OH 3042 N N . SER C 27 ? 0.4000 0.3309 0.4645 0.0823 0.0365 -0.0530 25 SER C N 3043 C CA . SER C 27 ? 0.4124 0.3507 0.4960 0.0910 0.0529 -0.0599 25 SER C CA 3044 C C . SER C 27 ? 0.3907 0.3658 0.4683 0.0863 0.0425 -0.0586 25 SER C C 3045 O O . SER C 27 ? 0.3952 0.3880 0.4933 0.0953 0.0528 -0.0584 25 SER C O 3046 C CB . SER C 27 ? 0.4258 0.3634 0.5507 0.1156 0.0645 -0.0402 25 SER C CB 3047 O OG . SER C 27 ? 0.4062 0.3758 0.5394 0.1236 0.0451 -0.0127 25 SER C OG 3048 N N . VAL C 28 ? 0.3683 0.3534 0.4212 0.0720 0.0248 -0.0576 26 VAL C N 3049 C CA . VAL C 28 ? 0.3499 0.3653 0.3986 0.0654 0.0154 -0.0548 26 VAL C CA 3050 C C . VAL C 28 ? 0.3594 0.3801 0.3987 0.0560 0.0254 -0.0697 26 VAL C C 3051 O O . VAL C 28 ? 0.3695 0.3760 0.3868 0.0430 0.0284 -0.0818 26 VAL C O 3052 C CB . VAL C 28 ? 0.3311 0.3482 0.3612 0.0533 -0.0008 -0.0500 26 VAL C CB 3053 C CG1 . VAL C 28 ? 0.3182 0.3603 0.3473 0.0448 -0.0062 -0.0486 26 VAL C CG1 3054 C CG2 . VAL C 28 ? 0.3272 0.3432 0.3626 0.0597 -0.0090 -0.0371 26 VAL C CG2 3055 N N . THR C 29 ? 0.3593 0.4063 0.4153 0.0609 0.0302 -0.0673 27 THR C N 3056 C CA . THR C 29 ? 0.3696 0.4277 0.4176 0.0514 0.0406 -0.0793 27 THR C CA 3057 C C . THR C 29 ? 0.3529 0.4409 0.4028 0.0439 0.0310 -0.0707 27 THR C C 3058 O O . THR C 29 ? 0.3473 0.4592 0.4201 0.0518 0.0264 -0.0603 27 THR C O 3059 C CB . THR C 29 ? 0.3908 0.4509 0.4628 0.0640 0.0637 -0.0881 27 THR C CB 3060 O OG1 . THR C 29 ? 0.4178 0.4444 0.4934 0.0709 0.0763 -0.0968 27 THR C OG1 3061 C CG2 . THR C 29 ? 0.4089 0.4791 0.4660 0.0507 0.0774 -0.1043 27 THR C CG2 3062 N N . PRO C 30 ? 0.3517 0.4406 0.3790 0.0271 0.0278 -0.0733 28 PRO C N 3063 C CA . PRO C 30 ? 0.3634 0.4355 0.3630 0.0149 0.0281 -0.0797 28 PRO C CA 3064 C C . PRO C 30 ? 0.3522 0.4065 0.3434 0.0131 0.0137 -0.0715 28 PRO C C 3065 O O . PRO C 30 ? 0.3369 0.3905 0.3402 0.0195 0.0054 -0.0632 28 PRO C O 3066 C CB . PRO C 30 ? 0.3655 0.4561 0.3530 0.0000 0.0285 -0.0756 28 PRO C CB 3067 C CG . PRO C 30 ? 0.3540 0.4668 0.3637 0.0041 0.0314 -0.0716 28 PRO C CG 3068 C CD . PRO C 30 ? 0.3417 0.4541 0.3727 0.0177 0.0246 -0.0671 28 PRO C CD 3069 N N . ASP C 31 ? 0.3619 0.4065 0.3327 0.0026 0.0116 -0.0742 29 ASP C N 3070 C CA . ASP C 31 ? 0.3530 0.3843 0.3193 0.0007 -0.0003 -0.0655 29 ASP C CA 3071 C C . ASP C 31 ? 0.3536 0.3963 0.3079 -0.0127 -0.0074 -0.0533 29 ASP C C 3072 O O . ASP C 31 ? 0.3708 0.4207 0.3074 -0.0246 -0.0082 -0.0554 29 ASP C O 3073 C CB . ASP C 31 ? 0.3680 0.3805 0.3287 0.0017 0.0028 -0.0760 29 ASP C CB 3074 C CG . ASP C 31 ? 0.4002 0.4160 0.3415 -0.0120 0.0134 -0.0927 29 ASP C CG 3075 O OD1 . ASP C 31 ? 0.4139 0.4453 0.3497 -0.0170 0.0224 -0.0989 29 ASP C OD1 3076 O OD2 . ASP C 31 ? 0.4195 0.4239 0.3499 -0.0207 0.0140 -0.1014 29 ASP C OD2 3077 N N . ASN C 32 ? 0.3406 0.3869 0.3060 -0.0123 -0.0114 -0.0394 30 ASN C N 3078 C CA . ASN C 32 ? 0.3443 0.4013 0.3073 -0.0219 -0.0154 -0.0212 30 ASN C CA 3079 C C . ASN C 32 ? 0.3444 0.3967 0.3092 -0.0229 -0.0242 -0.0090 30 ASN C C 3080 O O . ASN C 32 ? 0.3562 0.4269 0.3108 -0.0329 -0.0293 0.0025 30 ASN C O 3081 C CB . ASN C 32 ? 0.3374 0.3931 0.3177 -0.0213 -0.0119 -0.0114 30 ASN C CB 3082 C CG . ASN C 32 ? 0.3391 0.4000 0.3265 -0.0276 -0.0131 0.0130 30 ASN C CG 3083 O OD1 . ASN C 32 ? 0.3358 0.3825 0.3405 -0.0235 -0.0139 0.0244 30 ASN C OD1 3084 N ND2 . ASN C 32 ? 0.3491 0.4317 0.3256 -0.0371 -0.0114 0.0230 30 ASN C ND2 3085 N N . HIS C 33 ? 0.3325 0.3657 0.3107 -0.0138 -0.0259 -0.0103 31 HIS C N 3086 C CA . HIS C 33 ? 0.3316 0.3606 0.3185 -0.0130 -0.0317 0.0021 31 HIS C CA 3087 C C . HIS C 33 ? 0.3248 0.3345 0.3151 -0.0051 -0.0318 -0.0095 31 HIS C C 3088 O O . HIS C 33 ? 0.3215 0.3221 0.3123 0.0006 -0.0279 -0.0211 31 HIS C O 3089 C CB . HIS C 33 ? 0.3294 0.3557 0.3393 -0.0110 -0.0285 0.0224 31 HIS C CB 3090 C CG . HIS C 33 ? 0.3243 0.3297 0.3474 -0.0058 -0.0198 0.0130 31 HIS C CG 3091 N ND1 . HIS C 33 ? 0.3243 0.3300 0.3487 -0.0093 -0.0131 0.0068 31 HIS C ND1 3092 C CD2 . HIS C 33 ? 0.3183 0.3060 0.3515 -0.0010 -0.0160 0.0066 31 HIS C CD2 3093 C CE1 . HIS C 33 ? 0.3269 0.3176 0.3606 -0.0087 -0.0066 -0.0037 31 HIS C CE1 3094 N NE2 . HIS C 33 ? 0.3225 0.3017 0.3601 -0.0037 -0.0077 -0.0044 31 HIS C NE2 3095 N N . LEU C 34 ? 0.3262 0.3346 0.3198 -0.0058 -0.0366 -0.0036 32 LEU C N 3096 C CA . LEU C 34 ? 0.3227 0.3140 0.3194 0.0002 -0.0359 -0.0116 32 LEU C CA 3097 C C . LEU C 34 ? 0.3197 0.3075 0.3358 0.0030 -0.0355 0.0013 32 LEU C C 3098 O O . LEU C 34 ? 0.3251 0.3283 0.3514 -0.0006 -0.0399 0.0177 32 LEU C O 3099 C CB . LEU C 34 ? 0.3318 0.3215 0.3147 -0.0045 -0.0381 -0.0224 32 LEU C CB 3100 C CG . LEU C 34 ? 0.3322 0.3031 0.3178 0.0013 -0.0360 -0.0288 32 LEU C CG 3101 C CD1 . LEU C 34 ? 0.3388 0.2984 0.3146 0.0018 -0.0305 -0.0435 32 LEU C CD1 3102 C CD2 . LEU C 34 ? 0.3274 0.3016 0.3209 -0.0034 -0.0403 -0.0205 32 LEU C CD2 3103 N N . ARG C 35 ? 0.3126 0.2844 0.3352 0.0087 -0.0293 -0.0048 33 ARG C N 3104 C CA . ARG C 35 ? 0.3105 0.2756 0.3537 0.0116 -0.0231 0.0035 33 ARG C CA 3105 C C . ARG C 35 ? 0.3071 0.2628 0.3474 0.0135 -0.0216 -0.0035 33 ARG C C 3106 O O . ARG C 35 ? 0.3065 0.2555 0.3320 0.0143 -0.0213 -0.0151 33 ARG C O 3107 C CB . ARG C 35 ? 0.3148 0.2688 0.3697 0.0122 -0.0110 0.0008 33 ARG C CB 3108 C CG . ARG C 35 ? 0.3200 0.2630 0.4027 0.0156 0.0020 0.0083 33 ARG C CG 3109 C CD . ARG C 35 ? 0.3251 0.2507 0.4161 0.0119 0.0188 -0.0029 33 ARG C CD 3110 N NE . ARG C 35 ? 0.3351 0.2616 0.4352 0.0098 0.0216 0.0056 33 ARG C NE 3111 C CZ . ARG C 35 ? 0.3443 0.2685 0.4750 0.0145 0.0294 0.0277 33 ARG C CZ 3112 N NH1 . ARG C 35 ? 0.3436 0.2676 0.5020 0.0229 0.0346 0.0438 33 ARG C NH1 3113 N NH2 . ARG C 35 ? 0.3505 0.2755 0.4876 0.0115 0.0325 0.0370 33 ARG C NH2 3114 N N . TRP C 36 ? 0.3069 0.2664 0.3641 0.0143 -0.0208 0.0068 34 TRP C N 3115 C CA . TRP C 36 ? 0.3079 0.2598 0.3657 0.0151 -0.0171 0.0023 34 TRP C CA 3116 C C . TRP C 36 ? 0.3139 0.2557 0.3901 0.0184 -0.0015 0.0015 34 TRP C C 3117 O O . TRP C 36 ? 0.3181 0.2625 0.4225 0.0221 0.0059 0.0136 34 TRP C O 3118 C CB . TRP C 36 ? 0.3064 0.2719 0.3715 0.0112 -0.0247 0.0116 34 TRP C CB 3119 C CG . TRP C 36 ? 0.3032 0.2701 0.3462 0.0041 -0.0339 0.0034 34 TRP C CG 3120 C CD1 . TRP C 36 ? 0.3003 0.2816 0.3338 -0.0034 -0.0420 0.0038 34 TRP C CD1 3121 C CD2 . TRP C 36 ? 0.3055 0.2572 0.3348 0.0028 -0.0324 -0.0070 34 TRP C CD2 3122 N NE1 . TRP C 36 ? 0.3085 0.2808 0.3237 -0.0099 -0.0430 -0.0101 34 TRP C NE1 3123 C CE2 . TRP C 36 ? 0.3096 0.2620 0.3249 -0.0047 -0.0370 -0.0149 34 TRP C CE2 3124 C CE3 . TRP C 36 ? 0.3057 0.2436 0.3335 0.0066 -0.0258 -0.0094 34 TRP C CE3 3125 C CZ2 . TRP C 36 ? 0.3180 0.2521 0.3239 -0.0064 -0.0329 -0.0248 34 TRP C CZ2 3126 C CZ3 . TRP C 36 ? 0.3108 0.2353 0.3278 0.0053 -0.0250 -0.0144 34 TRP C CZ3 3127 C CH2 . TRP C 36 ? 0.3182 0.2380 0.3272 0.0000 -0.0274 -0.0218 34 TRP C CH2 3128 N N . PHE C 37 ? 0.3192 0.2511 0.3808 0.0163 0.0049 -0.0119 35 PHE C N 3129 C CA . PHE C 37 ? 0.3302 0.2521 0.4019 0.0148 0.0232 -0.0201 35 PHE C CA 3130 C C . PHE C 37 ? 0.3334 0.2557 0.4052 0.0140 0.0280 -0.0203 35 PHE C C 3131 O O . PHE C 37 ? 0.3296 0.2558 0.3838 0.0127 0.0174 -0.0187 35 PHE C O 3132 C CB . PHE C 37 ? 0.3416 0.2598 0.3904 0.0070 0.0279 -0.0377 35 PHE C CB 3133 C CG . PHE C 37 ? 0.3464 0.2590 0.4036 0.0041 0.0346 -0.0425 35 PHE C CG 3134 C CD1 . PHE C 37 ? 0.3643 0.2614 0.4488 0.0039 0.0554 -0.0447 35 PHE C CD1 3135 C CD2 . PHE C 37 ? 0.3467 0.2680 0.3878 0.0015 0.0233 -0.0450 35 PHE C CD2 3136 C CE1 . PHE C 37 ? 0.3752 0.2627 0.4700 0.0000 0.0646 -0.0488 35 PHE C CE1 3137 C CE2 . PHE C 37 ? 0.3641 0.2807 0.4133 -0.0033 0.0306 -0.0496 35 PHE C CE2 3138 C CZ . PHE C 37 ? 0.3751 0.2730 0.4505 -0.0048 0.0513 -0.0515 35 PHE C CZ 3139 N N . LYS C 38 ? 0.3416 0.2579 0.4362 0.0150 0.0469 -0.0221 36 LYS C N 3140 C CA . LYS C 38 ? 0.3484 0.2653 0.4427 0.0124 0.0567 -0.0254 36 LYS C CA 3141 C C . LYS C 38 ? 0.3716 0.2790 0.4518 0.0030 0.0770 -0.0469 36 LYS C C 3142 O O . LYS C 38 ? 0.3863 0.2815 0.4817 0.0016 0.0941 -0.0567 36 LYS C O 3143 C CB . LYS C 38 ? 0.3436 0.2669 0.4800 0.0200 0.0652 -0.0104 36 LYS C CB 3144 C CG . LYS C 38 ? 0.3491 0.2753 0.4895 0.0172 0.0773 -0.0131 36 LYS C CG 3145 C CD . LYS C 38 ? 0.3447 0.2823 0.5346 0.0259 0.0877 0.0032 36 LYS C CD 3146 C CE . LYS C 38 ? 0.3604 0.2994 0.5567 0.0225 0.1063 -0.0031 36 LYS C CE 3147 N NZ . LYS C 38 ? 0.3717 0.3240 0.6246 0.0329 0.1212 0.0130 36 LYS C NZ 3148 N N . GLN C 39 ? 0.3813 0.2953 0.4320 -0.0054 0.0762 -0.0539 37 GLN C N 3149 C CA . GLN C 39 ? 0.4094 0.3230 0.4391 -0.0198 0.0945 -0.0755 37 GLN C CA 3150 C C . GLN C 39 ? 0.4289 0.3484 0.4521 -0.0254 0.1069 -0.0773 37 GLN C C 3151 O O . GLN C 39 ? 0.4258 0.3572 0.4289 -0.0264 0.0932 -0.0657 37 GLN C O 3152 C CB . GLN C 39 ? 0.4111 0.3387 0.4029 -0.0302 0.0804 -0.0820 37 GLN C CB 3153 C CG . GLN C 39 ? 0.4381 0.3752 0.4019 -0.0513 0.0967 -0.1056 37 GLN C CG 3154 C CD . GLN C 39 ? 0.4361 0.3979 0.3670 -0.0628 0.0802 -0.1081 37 GLN C CD 3155 O OE1 . GLN C 39 ? 0.4243 0.4009 0.3459 -0.0544 0.0573 -0.0879 37 GLN C OE1 3156 N NE2 . GLN C 39 ? 0.4585 0.4258 0.3747 -0.0830 0.0935 -0.1331 37 GLN C NE2 3157 N N . ASP C 40 ? 0.4542 0.3637 0.4975 -0.0286 0.1357 -0.0912 38 ASP C N 3158 C CA . ASP C 40 ? 0.4800 0.3963 0.5148 -0.0371 0.1531 -0.0978 38 ASP C CA 3159 C C . ASP C 40 ? 0.5106 0.4422 0.4941 -0.0590 0.1553 -0.1152 38 ASP C C 3160 O O . ASP C 40 ? 0.5212 0.4552 0.4847 -0.0694 0.1524 -0.1295 38 ASP C O 3161 C CB . ASP C 40 ? 0.4993 0.4003 0.5746 -0.0340 0.1882 -0.1099 38 ASP C CB 3162 C CG . ASP C 40 ? 0.4810 0.3813 0.6100 -0.0131 0.1849 -0.0847 38 ASP C CG 3163 O OD1 . ASP C 40 ? 0.4737 0.3890 0.6018 -0.0082 0.1642 -0.0643 38 ASP C OD1 3164 O OD2 . ASP C 40 ? 0.4883 0.3749 0.6623 -0.0026 0.2037 -0.0841 38 ASP C OD2 3165 N N . THR C 41 ? 0.5280 0.4751 0.4904 -0.0675 0.1594 -0.1120 39 THR C N 3166 C CA . THR C 41 ? 0.5586 0.5310 0.4698 -0.0901 0.1591 -0.1219 39 THR C CA 3167 C C . THR C 41 ? 0.5970 0.5669 0.4941 -0.1119 0.1875 -0.1593 39 THR C C 3168 O O . THR C 41 ? 0.6169 0.5684 0.5374 -0.1141 0.2206 -0.1790 39 THR C O 3169 C CB . THR C 41 ? 0.5736 0.5626 0.4686 -0.0959 0.1634 -0.1098 39 THR C CB 3170 O OG1 . THR C 41 ? 0.5850 0.5604 0.5078 -0.0954 0.1947 -0.1233 39 THR C OG1 3171 C CG2 . THR C 41 ? 0.5450 0.5342 0.4506 -0.0787 0.1367 -0.0747 39 THR C CG2 3172 N N . GLY C 42 ? 0.6099 0.5989 0.4726 -0.1288 0.1762 -0.1697 40 GLY C N 3173 C CA . GLY C 42 ? 0.6506 0.6395 0.4948 -0.1558 0.2019 -0.2093 40 GLY C CA 3174 C C . GLY C 42 ? 0.6466 0.5953 0.5335 -0.1469 0.2209 -0.2264 40 GLY C C 3175 O O . GLY C 42 ? 0.6895 0.6228 0.5759 -0.1666 0.2543 -0.2629 40 GLY C O 3176 N N . LYS C 43 ? 0.5996 0.5312 0.5233 -0.1189 0.2014 -0.2002 41 LYS C N 3177 C CA . LYS C 43 ? 0.5916 0.4876 0.5615 -0.1065 0.2177 -0.2066 41 LYS C CA 3178 C C . LYS C 43 ? 0.5628 0.4598 0.5348 -0.0994 0.1915 -0.1943 41 LYS C C 3179 O O . LYS C 43 ? 0.5525 0.4782 0.4900 -0.1065 0.1640 -0.1864 41 LYS C O 3180 C CB . LYS C 43 ? 0.5721 0.4484 0.5949 -0.0799 0.2270 -0.1859 41 LYS C CB 3181 C CG . LYS C 43 ? 0.6034 0.4765 0.6350 -0.0850 0.2592 -0.1991 41 LYS C CG 3182 C CD . LYS C 43 ? 0.6538 0.4970 0.7087 -0.0960 0.3065 -0.2341 41 LYS C CD 3183 N N . GLY C 44 ? 0.5503 0.4180 0.5661 -0.0850 0.2016 -0.1904 42 GLY C N 3184 C CA . GLY C 44 ? 0.5271 0.3932 0.5472 -0.0806 0.1831 -0.1818 42 GLY C CA 3185 C C . GLY C 44 ? 0.4817 0.3513 0.5236 -0.0543 0.1556 -0.1457 42 GLY C C 3186 O O . GLY C 44 ? 0.4646 0.3433 0.5102 -0.0424 0.1449 -0.1275 42 GLY C O 3187 N N . LEU C 45 ? 0.4674 0.3307 0.5228 -0.0481 0.1456 -0.1370 43 LEU C N 3188 C CA . LEU C 45 ? 0.4300 0.3019 0.4967 -0.0290 0.1185 -0.1070 43 LEU C CA 3189 C C . LEU C 45 ? 0.4256 0.2800 0.5416 -0.0124 0.1289 -0.0886 43 LEU C C 3190 O O . LEU C 45 ? 0.4456 0.2810 0.5837 -0.0142 0.1459 -0.0936 43 LEU C O 3191 C CB . LEU C 45 ? 0.4181 0.3038 0.4621 -0.0343 0.0979 -0.1069 43 LEU C CB 3192 C CG . LEU C 45 ? 0.4186 0.3312 0.4200 -0.0487 0.0842 -0.1171 43 LEU C CG 3193 C CD1 . LEU C 45 ? 0.4147 0.3412 0.4052 -0.0547 0.0708 -0.1189 43 LEU C CD1 3194 C CD2 . LEU C 45 ? 0.3993 0.3272 0.3880 -0.0380 0.0646 -0.0983 43 LEU C CD2 3195 N N . VAL C 46 ? 0.4055 0.2693 0.5410 0.0023 0.1191 -0.0654 44 VAL C N 3196 C CA . VAL C 46 ? 0.3985 0.2590 0.5825 0.0185 0.1236 -0.0398 44 VAL C CA 3197 C C . VAL C 46 ? 0.3697 0.2519 0.5459 0.0250 0.0922 -0.0165 44 VAL C C 3198 O O . VAL C 46 ? 0.3555 0.2543 0.5091 0.0240 0.0724 -0.0129 44 VAL C O 3199 C CB . VAL C 46 ? 0.4026 0.2657 0.6217 0.0281 0.1386 -0.0297 44 VAL C CB 3200 C CG1 . VAL C 46 ? 0.3964 0.2645 0.6723 0.0455 0.1429 0.0025 44 VAL C CG1 3201 C CG2 . VAL C 46 ? 0.4312 0.2729 0.6528 0.0190 0.1732 -0.0581 44 VAL C CG2 3202 N N . SER C 47 ? 0.3678 0.2487 0.5621 0.0296 0.0901 -0.0019 45 SER C N 3203 C CA . SER C 47 ? 0.3471 0.2507 0.5320 0.0325 0.0634 0.0179 45 SER C CA 3204 C C . SER C 47 ? 0.3380 0.2660 0.5501 0.0414 0.0536 0.0460 45 SER C C 3205 O O . SER C 47 ? 0.3468 0.2765 0.6052 0.0516 0.0675 0.0663 45 SER C O 3206 C CB . SER C 47 ? 0.3529 0.2506 0.5475 0.0325 0.0661 0.0262 45 SER C CB 3207 O OG . SER C 47 ? 0.3376 0.2607 0.5227 0.0335 0.0428 0.0457 45 SER C OG 3208 N N . LEU C 48 ? 0.3217 0.2702 0.5083 0.0368 0.0313 0.0475 46 LEU C N 3209 C CA . LEU C 48 ? 0.3162 0.2944 0.5228 0.0390 0.0194 0.0703 46 LEU C CA 3210 C C . LEU C 48 ? 0.3148 0.3215 0.5230 0.0368 0.0016 0.0930 46 LEU C C 3211 O O . LEU C 48 ? 0.3164 0.3520 0.5600 0.0416 -0.0018 0.1231 46 LEU C O 3212 C CB . LEU C 48 ? 0.3087 0.2921 0.4881 0.0309 0.0084 0.0573 46 LEU C CB 3213 C CG . LEU C 48 ? 0.3181 0.2814 0.4906 0.0306 0.0234 0.0385 46 LEU C CG 3214 C CD1 . LEU C 48 ? 0.3163 0.2821 0.4584 0.0221 0.0109 0.0291 46 LEU C CD1 3215 C CD2 . LEU C 48 ? 0.3256 0.2927 0.5418 0.0383 0.0417 0.0494 46 LEU C CD2 3216 N N . THR C 49 ? 0.3121 0.3152 0.4832 0.0290 -0.0091 0.0800 47 THR C N 3217 C CA . THR C 49 ? 0.3148 0.3448 0.4780 0.0232 -0.0242 0.0964 47 THR C CA 3218 C C . THR C 49 ? 0.3158 0.3316 0.4438 0.0177 -0.0266 0.0772 47 THR C C 3219 O O . THR C 49 ? 0.3136 0.3065 0.4194 0.0168 -0.0225 0.0520 47 THR C O 3220 C CB . THR C 49 ? 0.3138 0.3797 0.4653 0.0114 -0.0433 0.1031 47 THR C CB 3221 O OG1 . THR C 49 ? 0.3211 0.4216 0.4688 0.0037 -0.0562 0.1234 47 THR C OG1 3222 C CG2 . THR C 49 ? 0.3105 0.3611 0.4214 0.0014 -0.0484 0.0726 47 THR C CG2 3223 N N . VAL C 50 ? 0.3215 0.3563 0.4466 0.0137 -0.0334 0.0922 48 VAL C N 3224 C CA . VAL C 50 ? 0.3224 0.3511 0.4162 0.0075 -0.0358 0.0760 48 VAL C CA 3225 C C . VAL C 50 ? 0.3293 0.3930 0.4033 -0.0048 -0.0504 0.0854 48 VAL C C 3226 O O . VAL C 50 ? 0.3383 0.4312 0.4280 -0.0069 -0.0558 0.1147 48 VAL C O 3227 C CB . VAL C 50 ? 0.3276 0.3364 0.4344 0.0125 -0.0218 0.0774 48 VAL C CB 3228 C CG1 . VAL C 50 ? 0.3347 0.3572 0.4758 0.0170 -0.0177 0.1123 48 VAL C CG1 3229 C CG2 . VAL C 50 ? 0.3313 0.3382 0.4082 0.0057 -0.0242 0.0599 48 VAL C CG2 3230 N N . LEU C 51 ? 0.3296 0.3915 0.3702 -0.0139 -0.0553 0.0611 49 LEU C N 3231 C CA . LEU C 51 ? 0.3414 0.4332 0.3563 -0.0301 -0.0648 0.0604 49 LEU C CA 3232 C C . LEU C 51 ? 0.3469 0.4347 0.3438 -0.0322 -0.0594 0.0512 49 LEU C C 3233 O O . LEU C 51 ? 0.3411 0.4011 0.3372 -0.0233 -0.0504 0.0347 49 LEU C O 3234 C CB . LEU C 51 ? 0.3473 0.4373 0.3406 -0.0412 -0.0682 0.0372 49 LEU C CB 3235 C CG . LEU C 51 ? 0.3404 0.4370 0.3516 -0.0418 -0.0732 0.0451 49 LEU C CG 3236 C CD1 . LEU C 51 ? 0.3207 0.3782 0.3361 -0.0304 -0.0640 0.0272 49 LEU C CD1 3237 C CD2 . LEU C 51 ? 0.3501 0.4784 0.3431 -0.0648 -0.0833 0.0400 49 LEU C CD2 3238 N N . VAL C 52 ? 0.3610 0.4825 0.3436 -0.0456 -0.0654 0.0633 50 VAL C N 3239 C CA . VAL C 52 ? 0.3654 0.4906 0.3381 -0.0476 -0.0596 0.0647 50 VAL C CA 3240 C C . VAL C 52 ? 0.3874 0.5369 0.3228 -0.0669 -0.0606 0.0490 50 VAL C C 3241 O O . VAL C 52 ? 0.3892 0.5294 0.3117 -0.0671 -0.0509 0.0326 50 VAL C O 3242 C CB . VAL C 52 ? 0.3675 0.5088 0.3674 -0.0430 -0.0604 0.1038 50 VAL C CB 3243 C CG1 . VAL C 52 ? 0.3893 0.5554 0.3724 -0.0540 -0.0596 0.1148 50 VAL C CG1 3244 C CG2 . VAL C 52 ? 0.3482 0.4515 0.3803 -0.0255 -0.0482 0.1055 50 VAL C CG2 3245 N N . ASP C 53 ? 0.4059 0.5889 0.3246 -0.0850 -0.0708 0.0523 51 ASP C N 3246 C CA . ASP C 53 ? 0.4389 0.6505 0.3187 -0.1092 -0.0698 0.0363 51 ASP C CA 3247 C C . ASP C 53 ? 0.4517 0.6360 0.3097 -0.1156 -0.0574 -0.0082 51 ASP C C 3248 O O . ASP C 53 ? 0.4363 0.5836 0.3093 -0.1015 -0.0529 -0.0224 51 ASP C O 3249 C CB . ASP C 53 ? 0.4590 0.7280 0.3274 -0.1319 -0.0864 0.0598 51 ASP C CB 3250 C CG . ASP C 53 ? 0.4580 0.7612 0.3478 -0.1268 -0.0958 0.1093 51 ASP C CG 3251 O OD1 . ASP C 53 ? 0.4503 0.7312 0.3569 -0.1106 -0.0867 0.1202 51 ASP C OD1 3252 O OD2 . ASP C 53 ? 0.4745 0.8294 0.3671 -0.1399 -0.1117 0.1395 51 ASP C OD2 3253 N N . GLN C 54 ? 0.4851 0.6880 0.3091 -0.1370 -0.0495 -0.0291 52 GLN C N 3254 C CA . GLN C 54 ? 0.5079 0.6849 0.3136 -0.1455 -0.0321 -0.0725 52 GLN C CA 3255 C C . GLN C 54 ? 0.5157 0.6863 0.3203 -0.1564 -0.0367 -0.0849 52 GLN C C 3256 O O . GLN C 54 ? 0.5106 0.6378 0.3286 -0.1439 -0.0259 -0.1046 52 GLN C O 3257 C CB . GLN C 54 ? 0.5489 0.7536 0.3166 -0.1718 -0.0207 -0.0925 52 GLN C CB 3258 C CG . GLN C 54 ? 0.5857 0.7565 0.3410 -0.1768 0.0063 -0.1396 52 GLN C CG 3259 C CD . GLN C 54 ? 0.5790 0.7112 0.3611 -0.1467 0.0227 -0.1463 52 GLN C CD 3260 O OE1 . GLN C 54 ? 0.5496 0.6878 0.3482 -0.1300 0.0162 -0.1218 52 GLN C OE1 3261 N NE2 . GLN C 54 ? 0.5970 0.6912 0.3865 -0.1408 0.0452 -0.1785 52 GLN C NE2 3262 N N . LYS C 55 ? 0.5299 0.7478 0.3203 -0.1806 -0.0529 -0.0704 53 LYS C N 3263 C CA . LYS C 55 ? 0.5323 0.7541 0.3275 -0.1920 -0.0614 -0.0742 53 LYS C CA 3264 C C . LYS C 55 ? 0.5055 0.7603 0.3288 -0.1822 -0.0840 -0.0278 53 LYS C C 3265 O O . LYS C 55 ? 0.5205 0.8332 0.3358 -0.1984 -0.0994 -0.0003 53 LYS C O 3266 C CB . LYS C 55 ? 0.5787 0.8338 0.3342 -0.2345 -0.0591 -0.1018 53 LYS C CB 3267 N N . ASP C 56 ? 0.4711 0.6909 0.3295 -0.1553 -0.0843 -0.0176 54 ASP C N 3268 C CA . ASP C 56 ? 0.4438 0.6834 0.3378 -0.1395 -0.0985 0.0244 54 ASP C CA 3269 C C . ASP C 56 ? 0.4330 0.6697 0.3490 -0.1382 -0.1043 0.0273 54 ASP C C 3270 O O . ASP C 56 ? 0.4348 0.6351 0.3454 -0.1392 -0.0946 -0.0019 54 ASP C O 3271 C CB . ASP C 56 ? 0.4152 0.6186 0.3342 -0.1085 -0.0903 0.0367 54 ASP C CB 3272 C CG . ASP C 56 ? 0.4026 0.6318 0.3542 -0.0965 -0.0992 0.0819 54 ASP C CG 3273 O OD1 . ASP C 56 ? 0.4084 0.6813 0.3738 -0.1051 -0.1129 0.1090 54 ASP C OD1 3274 O OD2 . ASP C 56 ? 0.3917 0.5981 0.3589 -0.0787 -0.0910 0.0914 54 ASP C OD2 3275 N N . LYS C 57 ? 0.4232 0.7000 0.3677 -0.1352 -0.1187 0.0658 55 LYS C N 3276 C CA . LYS C 57 ? 0.4106 0.6918 0.3847 -0.1312 -0.1239 0.0757 55 LYS C CA 3277 C C . LYS C 57 ? 0.3895 0.6845 0.4116 -0.1069 -0.1278 0.1199 55 LYS C C 3278 O O . LYS C 57 ? 0.3953 0.7267 0.4266 -0.1060 -0.1351 0.1525 55 LYS C O 3279 C CB . LYS C 57 ? 0.4330 0.7685 0.3916 -0.1655 -0.1379 0.0731 55 LYS C CB 3280 N N . THR C 58 ? 0.3712 0.6352 0.4249 -0.0874 -0.1198 0.1210 56 THR C N 3281 C CA . THR C 58 ? 0.3603 0.6288 0.4646 -0.0634 -0.1165 0.1576 56 THR C CA 3282 C C . THR C 58 ? 0.3551 0.6327 0.4932 -0.0591 -0.1167 0.1660 56 THR C C 3283 O O . THR C 58 ? 0.3581 0.6226 0.4791 -0.0708 -0.1163 0.1391 56 THR C O 3284 C CB . THR C 58 ? 0.3448 0.5553 0.4588 -0.0389 -0.0977 0.1485 56 THR C CB 3285 O OG1 . THR C 58 ? 0.3411 0.5047 0.4382 -0.0358 -0.0877 0.1126 56 THR C OG1 3286 C CG2 . THR C 58 ? 0.3500 0.5550 0.4411 -0.0404 -0.0960 0.1468 56 THR C CG2 3287 N N . SER C 59 ? 0.3526 0.6509 0.5426 -0.0416 -0.1146 0.2044 57 SER C N 3288 C CA . SER C 59 ? 0.3492 0.6602 0.5803 -0.0345 -0.1118 0.2168 57 SER C CA 3289 C C . SER C 59 ? 0.3432 0.6289 0.6279 -0.0040 -0.0916 0.2383 57 SER C C 3290 O O . SER C 59 ? 0.3521 0.6430 0.6610 0.0088 -0.0872 0.2663 57 SER C O 3291 C CB . SER C 59 ? 0.3599 0.7513 0.6084 -0.0527 -0.1335 0.2484 57 SER C CB 3292 O OG . SER C 59 ? 0.3590 0.7663 0.6498 -0.0468 -0.1304 0.2597 57 SER C OG 3293 N N . ASN C 60 ? 0.3356 0.5926 0.6391 0.0058 -0.0766 0.2240 58 ASN C N 3294 C CA . ASN C 60 ? 0.3331 0.5625 0.6867 0.0315 -0.0518 0.2365 58 ASN C CA 3295 C C . ASN C 60 ? 0.3266 0.5656 0.7124 0.0350 -0.0439 0.2373 58 ASN C C 3296 O O . ASN C 60 ? 0.3218 0.5182 0.6936 0.0372 -0.0284 0.2065 58 ASN C O 3297 C CB . ASN C 60 ? 0.3325 0.4944 0.6597 0.0395 -0.0322 0.2029 58 ASN C CB 3298 C CG . ASN C 60 ? 0.3405 0.4698 0.7151 0.0612 -0.0021 0.2091 58 ASN C CG 3299 O OD1 . ASN C 60 ? 0.3433 0.4963 0.7769 0.0749 0.0068 0.2416 58 ASN C OD1 3300 N ND2 . ASN C 60 ? 0.3413 0.4178 0.6919 0.0633 0.0151 0.1771 58 ASN C ND2 3301 N N . GLY C 61 ? 0.3274 0.6288 0.7569 0.0342 -0.0555 0.2751 59 GLY C N 3302 C CA . GLY C 61 ? 0.3224 0.6461 0.7857 0.0344 -0.0511 0.2797 59 GLY C CA 3303 C C . GLY C 61 ? 0.3196 0.6406 0.7321 0.0084 -0.0640 0.2451 59 GLY C C 3304 O O . GLY C 61 ? 0.3250 0.6770 0.7018 -0.0154 -0.0873 0.2412 59 GLY C O 3305 N N . ARG C 62 ? 0.3161 0.5981 0.7246 0.0119 -0.0463 0.2192 60 ARG C N 3306 C CA . ARG C 62 ? 0.3177 0.5905 0.6854 -0.0103 -0.0537 0.1892 60 ARG C CA 3307 C C . ARG C 62 ? 0.3190 0.5468 0.6216 -0.0209 -0.0581 0.1549 60 ARG C C 3308 O O . ARG C 62 ? 0.3263 0.5468 0.5946 -0.0408 -0.0652 0.1324 60 ARG C O 3309 C CB . ARG C 62 ? 0.3163 0.5651 0.7026 -0.0027 -0.0320 0.1776 60 ARG C CB 3310 C CG . ARG C 62 ? 0.3230 0.6273 0.7685 -0.0021 -0.0317 0.2061 60 ARG C CG 3311 C CD . ARG C 62 ? 0.3332 0.6137 0.8157 0.0165 -0.0009 0.2036 60 ARG C CD 3312 N NE . ARG C 62 ? 0.3473 0.5703 0.7832 0.0118 0.0132 0.1659 60 ARG C NE 3313 C CZ . ARG C 62 ? 0.3564 0.5269 0.7714 0.0242 0.0323 0.1462 60 ARG C CZ 3314 N NH1 . ARG C 62 ? 0.3661 0.5262 0.8033 0.0418 0.0427 0.1564 60 ARG C NH1 3315 N NH2 . ARG C 62 ? 0.3597 0.4908 0.7327 0.0174 0.0415 0.1175 60 ARG C NH2 3316 N N . TYR C 63 ? 0.3165 0.5144 0.6069 -0.0076 -0.0520 0.1519 62 TYR C N 3317 C CA . TYR C 63 ? 0.3184 0.4801 0.5548 -0.0148 -0.0557 0.1240 62 TYR C CA 3318 C C . TYR C 63 ? 0.3214 0.5157 0.5380 -0.0291 -0.0753 0.1320 62 TYR C C 3319 O O . TYR C 63 ? 0.3229 0.5564 0.5669 -0.0249 -0.0826 0.1632 62 TYR C O 3320 C CB . TYR C 63 ? 0.3171 0.4331 0.5484 0.0034 -0.0387 0.1141 62 TYR C CB 3321 C CG . TYR C 63 ? 0.3271 0.4122 0.5727 0.0150 -0.0166 0.1036 62 TYR C CG 3322 C CD1 . TYR C 63 ? 0.3429 0.4202 0.6279 0.0320 0.0028 0.1155 62 TYR C CD1 3323 C CD2 . TYR C 63 ? 0.3381 0.4012 0.5579 0.0078 -0.0126 0.0815 62 TYR C CD2 3324 C CE1 . TYR C 63 ? 0.3616 0.4116 0.6557 0.0389 0.0263 0.1011 62 TYR C CE1 3325 C CE2 . TYR C 63 ? 0.3562 0.3964 0.5839 0.0153 0.0078 0.0720 62 TYR C CE2 3326 C CZ . TYR C 63 ? 0.3700 0.4046 0.6326 0.0295 0.0275 0.0795 62 TYR C CZ 3327 O OH . TYR C 63 ? 0.3914 0.4045 0.6581 0.0333 0.0509 0.0656 62 TYR C OH 3328 N N . SER C 64 ? 0.3252 0.5039 0.4955 -0.0462 -0.0816 0.1047 63 SER C N 3329 C CA . SER C 64 ? 0.3330 0.5317 0.4744 -0.0606 -0.0945 0.1028 63 SER C CA 3330 C C . SER C 64 ? 0.3350 0.4866 0.4325 -0.0643 -0.0876 0.0677 63 SER C C 3331 O O . SER C 64 ? 0.3343 0.4510 0.4221 -0.0639 -0.0785 0.0472 63 SER C O 3332 C CB . SER C 64 ? 0.3479 0.6058 0.4866 -0.0884 -0.1125 0.1114 63 SER C CB 3333 O OG . SER C 64 ? 0.3656 0.6104 0.4855 -0.1076 -0.1107 0.0842 63 SER C OG 3334 N N . ALA C 65 ? 0.3370 0.4896 0.4119 -0.0668 -0.0908 0.0642 64 ALA C N 3335 C CA . ALA C 65 ? 0.3410 0.4526 0.3822 -0.0667 -0.0823 0.0346 64 ALA C CA 3336 C C . ALA C 65 ? 0.3596 0.4911 0.3697 -0.0858 -0.0885 0.0243 64 ALA C C 3337 O O . ALA C 65 ? 0.3653 0.5400 0.3781 -0.0934 -0.0995 0.0453 64 ALA C O 3338 C CB . ALA C 65 ? 0.3239 0.4018 0.3716 -0.0433 -0.0718 0.0355 64 ALA C CB 3339 N N . THR C 66 ? 0.3739 0.4752 0.3566 -0.0936 -0.0794 -0.0065 65 THR C N 3340 C CA . THR C 66 ? 0.3976 0.5101 0.3490 -0.1116 -0.0787 -0.0236 65 THR C CA 3341 C C . THR C 66 ? 0.3932 0.4677 0.3346 -0.0951 -0.0657 -0.0380 65 THR C C 3342 O O . THR C 66 ? 0.3778 0.4152 0.3310 -0.0755 -0.0571 -0.0415 65 THR C O 3343 C CB . THR C 66 ? 0.4302 0.5423 0.3601 -0.1402 -0.0742 -0.0522 65 THR C CB 3344 O OG1 . THR C 66 ? 0.4338 0.4953 0.3708 -0.1303 -0.0598 -0.0696 65 THR C OG1 3345 C CG2 . THR C 66 ? 0.4372 0.6015 0.3737 -0.1638 -0.0899 -0.0384 65 THR C CG2 3346 N N . LEU C 67 ? 0.4088 0.4986 0.3289 -0.1045 -0.0646 -0.0445 66 LEU C N 3347 C CA . LEU C 67 ? 0.4102 0.4709 0.3218 -0.0923 -0.0511 -0.0601 66 LEU C CA 3348 C C . LEU C 67 ? 0.4463 0.5152 0.3277 -0.1142 -0.0419 -0.0859 66 LEU C C 3349 O O . LEU C 67 ? 0.4638 0.5749 0.3264 -0.1359 -0.0504 -0.0808 66 LEU C O 3350 C CB . LEU C 67 ? 0.3870 0.4548 0.3106 -0.0751 -0.0549 -0.0381 66 LEU C CB 3351 C CG . LEU C 67 ? 0.3864 0.4317 0.3064 -0.0621 -0.0427 -0.0504 66 LEU C CG 3352 C CD1 . LEU C 67 ? 0.3727 0.3800 0.3069 -0.0435 -0.0342 -0.0594 66 LEU C CD1 3353 C CD2 . LEU C 67 ? 0.3727 0.4329 0.3014 -0.0539 -0.0467 -0.0294 66 LEU C CD2 3354 N N . ASP C 68 ? 0.4629 0.4933 0.3413 -0.1089 -0.0229 -0.1124 67 ASP C N 3355 C CA . ASP C 68 ? 0.5020 0.5307 0.3563 -0.1262 -0.0062 -0.1420 67 ASP C CA 3356 C C . ASP C 68 ? 0.4945 0.4975 0.3605 -0.1024 0.0085 -0.1467 67 ASP C C 3357 O O . ASP C 68 ? 0.4922 0.4581 0.3788 -0.0831 0.0200 -0.1516 67 ASP C O 3358 C CB . ASP C 68 ? 0.5384 0.5421 0.3856 -0.1446 0.0091 -0.1727 67 ASP C CB 3359 C CG . ASP C 68 ? 0.5974 0.6098 0.4131 -0.1746 0.0263 -0.2073 67 ASP C CG 3360 O OD1 . ASP C 68 ? 0.6172 0.6321 0.4247 -0.1699 0.0374 -0.2147 67 ASP C OD1 3361 O OD2 . ASP C 68 ? 0.6398 0.6579 0.4384 -0.2056 0.0305 -0.2294 67 ASP C OD2 3362 N N . LYS C 69 ? 0.4931 0.5204 0.3481 -0.1040 0.0077 -0.1417 68 LYS C N 3363 C CA . LYS C 69 ? 0.4819 0.4944 0.3515 -0.0823 0.0192 -0.1423 68 LYS C CA 3364 C C . LYS C 69 ? 0.5190 0.5066 0.3879 -0.0831 0.0471 -0.1739 68 LYS C C 3365 O O . LYS C 69 ? 0.5121 0.4795 0.4057 -0.0597 0.0586 -0.1733 68 LYS C O 3366 C CB . LYS C 69 ? 0.4680 0.5140 0.3300 -0.0840 0.0106 -0.1246 68 LYS C CB 3367 C CG . LYS C 69 ? 0.4274 0.4843 0.3057 -0.0727 -0.0092 -0.0917 68 LYS C CG 3368 C CD . LYS C 69 ? 0.4037 0.4828 0.2824 -0.0707 -0.0121 -0.0745 68 LYS C CD 3369 C CE . LYS C 69 ? 0.3603 0.4406 0.2612 -0.0586 -0.0254 -0.0454 68 LYS C CE 3370 N NZ . LYS C 69 ? 0.3567 0.4497 0.2630 -0.0559 -0.0239 -0.0309 68 LYS C NZ 3371 N N . ASP C 70 ? 0.5635 0.5551 0.4062 -0.1111 0.0592 -0.2013 69 ASP C N 3372 C CA . ASP C 70 ? 0.6090 0.5699 0.4537 -0.1142 0.0920 -0.2363 69 ASP C CA 3373 C C . ASP C 70 ? 0.6102 0.5228 0.4869 -0.0952 0.1041 -0.2395 69 ASP C C 3374 O O . ASP C 70 ? 0.6247 0.5076 0.5283 -0.0753 0.1278 -0.2479 69 ASP C O 3375 C CB . ASP C 70 ? 0.6636 0.6401 0.4687 -0.1550 0.1037 -0.2695 69 ASP C CB 3376 C CG . ASP C 70 ? 0.6868 0.7101 0.4602 -0.1735 0.1003 -0.2695 69 ASP C CG 3377 O OD1 . ASP C 70 ? 0.6897 0.7139 0.4752 -0.1554 0.1096 -0.2646 69 ASP C OD1 3378 O OD2 . ASP C 70 ? 0.7190 0.7826 0.4559 -0.2074 0.0881 -0.2725 69 ASP C OD2 3379 N N . ALA C 71 ? 0.5967 0.5047 0.4737 -0.1006 0.0883 -0.2292 70 ALA C N 3380 C CA . ALA C 71 ? 0.5982 0.4636 0.5036 -0.0847 0.0976 -0.2272 70 ALA C CA 3381 C C . ALA C 71 ? 0.5521 0.4158 0.4862 -0.0511 0.0821 -0.1921 70 ALA C C 3382 O O . ALA C 71 ? 0.5535 0.3871 0.5132 -0.0340 0.0889 -0.1836 70 ALA C O 3383 C CB . ALA C 71 ? 0.6115 0.4751 0.5037 -0.1094 0.0901 -0.2345 70 ALA C CB 3384 N N . LYS C 72 ? 0.5174 0.4145 0.4463 -0.0442 0.0627 -0.1721 71 LYS C N 3385 C CA . LYS C 72 ? 0.4764 0.3793 0.4254 -0.0201 0.0466 -0.1425 71 LYS C CA 3386 C C . LYS C 72 ? 0.4669 0.3564 0.4234 -0.0175 0.0362 -0.1297 71 LYS C C 3387 O O . LYS C 72 ? 0.4572 0.3301 0.4352 0.0017 0.0381 -0.1165 71 LYS C O 3388 C CB . LYS C 72 ? 0.4735 0.3669 0.4498 0.0050 0.0592 -0.1370 71 LYS C CB 3389 C CG . LYS C 72 ? 0.4868 0.3980 0.4596 0.0039 0.0696 -0.1473 71 LYS C CG 3390 C CD . LYS C 72 ? 0.4680 0.3923 0.4680 0.0278 0.0682 -0.1293 71 LYS C CD 3391 C CE . LYS C 72 ? 0.4742 0.4213 0.4700 0.0242 0.0769 -0.1381 71 LYS C CE 3392 N NZ . LYS C 72 ? 0.4515 0.4221 0.4709 0.0417 0.0701 -0.1188 71 LYS C NZ 3393 N N . HIS C 73 ? 0.4699 0.3728 0.4091 -0.0382 0.0249 -0.1315 72 HIS C N 3394 C CA . HIS C 73 ? 0.4697 0.3614 0.4147 -0.0417 0.0189 -0.1249 72 HIS C CA 3395 C C . HIS C 73 ? 0.4476 0.3719 0.3855 -0.0517 -0.0024 -0.1087 72 HIS C C 3396 O O . HIS C 73 ? 0.4523 0.4070 0.3741 -0.0680 -0.0100 -0.1099 72 HIS C O 3397 C CB . HIS C 73 ? 0.5104 0.3788 0.4494 -0.0612 0.0359 -0.1505 72 HIS C CB 3398 C CG . HIS C 73 ? 0.5207 0.3793 0.4655 -0.0696 0.0313 -0.1459 72 HIS C CG 3399 N ND1 . HIS C 73 ? 0.5529 0.4200 0.4830 -0.1001 0.0317 -0.1631 72 HIS C ND1 3400 C CD2 . HIS C 73 ? 0.5089 0.3540 0.4719 -0.0538 0.0268 -0.1264 72 HIS C CD2 3401 C CE1 . HIS C 73 ? 0.5542 0.4116 0.4965 -0.1014 0.0279 -0.1539 72 HIS C CE1 3402 N NE2 . HIS C 73 ? 0.5284 0.3714 0.4899 -0.0731 0.0256 -0.1315 72 HIS C NE2 3403 N N . SER C 74 ? 0.4262 0.3462 0.3785 -0.0416 -0.0105 -0.0915 73 SER C N 3404 C CA . SER C 74 ? 0.4082 0.3549 0.3637 -0.0477 -0.0262 -0.0746 73 SER C CA 3405 C C . SER C 74 ? 0.4090 0.3442 0.3761 -0.0491 -0.0265 -0.0699 73 SER C C 3406 O O . SER C 74 ? 0.4105 0.3176 0.3859 -0.0370 -0.0179 -0.0700 73 SER C O 3407 C CB . SER C 74 ? 0.3799 0.3377 0.3450 -0.0313 -0.0335 -0.0559 73 SER C CB 3408 O OG . SER C 74 ? 0.3627 0.3381 0.3407 -0.0321 -0.0430 -0.0382 73 SER C OG 3409 N N . THR C 75 ? 0.4074 0.3690 0.3772 -0.0642 -0.0366 -0.0628 74 THR C N 3410 C CA . THR C 75 ? 0.4051 0.3627 0.3895 -0.0659 -0.0373 -0.0557 74 THR C CA 3411 C C . THR C 75 ? 0.3794 0.3655 0.3827 -0.0594 -0.0481 -0.0319 74 THR C C 3412 O O . THR C 75 ? 0.3719 0.3894 0.3775 -0.0625 -0.0575 -0.0203 74 THR C O 3413 C CB . THR C 75 ? 0.4338 0.3964 0.4120 -0.0929 -0.0355 -0.0707 74 THR C CB 3414 O OG1 . THR C 75 ? 0.4487 0.4581 0.4197 -0.1132 -0.0488 -0.0671 74 THR C OG1 3415 C CG2 . THR C 75 ? 0.4684 0.3952 0.4331 -0.0999 -0.0182 -0.0972 74 THR C CG2 3416 N N . LEU C 76 ? 0.3677 0.3422 0.3868 -0.0498 -0.0442 -0.0236 75 LEU C N 3417 C CA . LEU C 76 ? 0.3483 0.3463 0.3915 -0.0445 -0.0486 -0.0038 75 LEU C CA 3418 C C . LEU C 76 ? 0.3542 0.3642 0.4114 -0.0571 -0.0492 -0.0008 75 LEU C C 3419 O O . LEU C 76 ? 0.3594 0.3443 0.4156 -0.0562 -0.0402 -0.0071 75 LEU C O 3420 C CB . LEU C 76 ? 0.3334 0.3125 0.3843 -0.0245 -0.0402 0.0015 75 LEU C CB 3421 C CG . LEU C 76 ? 0.3201 0.3156 0.4000 -0.0167 -0.0374 0.0184 75 LEU C CG 3422 C CD1 . LEU C 76 ? 0.3069 0.3269 0.4013 -0.0136 -0.0432 0.0335 75 LEU C CD1 3423 C CD2 . LEU C 76 ? 0.3178 0.2902 0.3979 -0.0042 -0.0247 0.0146 75 LEU C CD2 3424 N N A HIS C 77 ? 0.3539 0.4066 0.4253 -0.0698 -0.0601 0.0115 76 HIS C N 3425 N N B HIS C 77 ? 0.3536 0.4063 0.4255 -0.0696 -0.0600 0.0117 76 HIS C N 3426 C CA A HIS C 77 ? 0.3592 0.4355 0.4491 -0.0840 -0.0628 0.0173 76 HIS C CA 3427 C CA B HIS C 77 ? 0.3598 0.4350 0.4489 -0.0847 -0.0625 0.0164 76 HIS C CA 3428 C C A HIS C 77 ? 0.3404 0.4347 0.4676 -0.0681 -0.0600 0.0409 76 HIS C C 3429 C C B HIS C 77 ? 0.3420 0.4407 0.4698 -0.0710 -0.0613 0.0411 76 HIS C C 3430 O O A HIS C 77 ? 0.3307 0.4484 0.4769 -0.0574 -0.0642 0.0602 76 HIS C O 3431 O O B HIS C 77 ? 0.3343 0.4658 0.4827 -0.0644 -0.0684 0.0622 76 HIS C O 3432 C CB A HIS C 77 ? 0.3734 0.4975 0.4592 -0.1106 -0.0776 0.0189 76 HIS C CB 3433 C CB B HIS C 77 ? 0.3770 0.4942 0.4576 -0.1131 -0.0761 0.0134 76 HIS C CB 3434 C CG A HIS C 77 ? 0.3996 0.5097 0.4482 -0.1283 -0.0772 -0.0069 76 HIS C CG 3435 C CG B HIS C 77 ? 0.3884 0.5358 0.4867 -0.1337 -0.0802 0.0169 76 HIS C CG 3436 N ND1 A HIS C 77 ? 0.4284 0.5264 0.4607 -0.1538 -0.0716 -0.0318 76 HIS C ND1 3437 N ND1 B HIS C 77 ? 0.4134 0.5373 0.4981 -0.1539 -0.0721 -0.0064 76 HIS C ND1 3438 C CD2 A HIS C 77 ? 0.4043 0.5091 0.4309 -0.1250 -0.0782 -0.0135 76 HIS C CD2 3439 C CD2 B HIS C 77 ? 0.3816 0.5827 0.5143 -0.1375 -0.0902 0.0423 76 HIS C CD2 3440 C CE1 A HIS C 77 ? 0.4514 0.5354 0.4537 -0.1648 -0.0674 -0.0542 76 HIS C CE1 3441 C CE1 B HIS C 77 ? 0.4166 0.5789 0.5233 -0.1718 -0.0780 0.0021 76 HIS C CE1 3442 N NE2 A HIS C 77 ? 0.4369 0.5270 0.4348 -0.1474 -0.0721 -0.0428 76 HIS C NE2 3443 N NE2 B HIS C 77 ? 0.3978 0.6103 0.5347 -0.1617 -0.0899 0.0326 76 HIS C NE2 3444 N N . ILE C 78 ? 0.3404 0.4221 0.4804 -0.0664 -0.0501 0.0399 77 ILE C N 3445 C CA . ILE C 78 ? 0.3287 0.4313 0.5087 -0.0547 -0.0437 0.0599 77 ILE C CA 3446 C C . ILE C 78 ? 0.3355 0.4773 0.5378 -0.0736 -0.0500 0.0681 77 ILE C C 3447 O O . ILE C 78 ? 0.3493 0.4752 0.5400 -0.0876 -0.0456 0.0541 77 ILE C O 3448 C CB . ILE C 78 ? 0.3260 0.3909 0.5052 -0.0392 -0.0246 0.0532 77 ILE C CB 3449 C CG1 . ILE C 78 ? 0.3217 0.3529 0.4762 -0.0254 -0.0196 0.0429 77 ILE C CG1 3450 C CG2 . ILE C 78 ? 0.3171 0.4029 0.5400 -0.0277 -0.0132 0.0705 77 ILE C CG2 3451 C CD1 . ILE C 78 ? 0.3259 0.3268 0.4701 -0.0164 -0.0032 0.0342 77 ILE C CD1 3452 N N . THR C 79 ? 0.3310 0.5267 0.5684 -0.0744 -0.0601 0.0932 78 THR C N 3453 C CA . THR C 79 ? 0.3402 0.5880 0.6037 -0.0946 -0.0696 0.1051 78 THR C CA 3454 C C . THR C 79 ? 0.3327 0.5901 0.6418 -0.0808 -0.0548 0.1204 78 THR C C 3455 O O . THR C 79 ? 0.3228 0.5746 0.6605 -0.0554 -0.0425 0.1352 78 THR C O 3456 C CB . THR C 79 ? 0.3413 0.6562 0.6222 -0.1045 -0.0907 0.1303 78 THR C CB 3457 O OG1 . THR C 79 ? 0.3516 0.6527 0.5922 -0.1091 -0.0992 0.1187 78 THR C OG1 3458 C CG2 . THR C 79 ? 0.3532 0.7246 0.6420 -0.1378 -0.1057 0.1327 78 THR C CG2 3459 N N . ALA C 80 ? 0.3432 0.6130 0.6598 -0.0993 -0.0532 0.1150 79 ALA C N 3460 C CA . ALA C 80 ? 0.3396 0.6207 0.6982 -0.0900 -0.0373 0.1270 79 ALA C CA 3461 C C . ALA C 80 ? 0.3330 0.5656 0.6918 -0.0621 -0.0131 0.1217 79 ALA C C 3462 O O . ALA C 80 ? 0.3253 0.5700 0.7222 -0.0402 -0.0028 0.1394 79 ALA C O 3463 C CB . ALA C 80 ? 0.3311 0.6877 0.7501 -0.0884 -0.0463 0.1622 79 ALA C CB 3464 N N . THR C 81 ? 0.3412 0.5204 0.6585 -0.0644 -0.0029 0.0976 80 THR C N 3465 C CA . THR C 81 ? 0.3404 0.4766 0.6455 -0.0446 0.0176 0.0884 80 THR C CA 3466 C C . THR C 81 ? 0.3406 0.4891 0.6863 -0.0337 0.0404 0.0976 80 THR C C 3467 O O . THR C 81 ? 0.3456 0.5226 0.7180 -0.0442 0.0429 0.1057 80 THR C O 3468 C CB . THR C 81 ? 0.3525 0.4402 0.6077 -0.0514 0.0220 0.0672 80 THR C CB 3469 O OG1 . THR C 81 ? 0.3705 0.4622 0.6276 -0.0693 0.0247 0.0656 80 THR C OG1 3470 C CG2 . THR C 81 ? 0.3515 0.4195 0.5698 -0.0562 0.0063 0.0561 80 THR C CG2 3471 N N . LEU C 82 ? 0.3398 0.4672 0.6913 -0.0144 0.0589 0.0943 81 LEU C N 3472 C CA . LEU C 82 ? 0.3469 0.4758 0.7310 -0.0042 0.0878 0.0954 81 LEU C CA 3473 C C . LEU C 82 ? 0.3616 0.4454 0.7014 -0.0034 0.1061 0.0712 81 LEU C C 3474 O O . LEU C 82 ? 0.3634 0.4192 0.6556 -0.0069 0.0948 0.0587 81 LEU C O 3475 C CB . LEU C 82 ? 0.3411 0.4889 0.7808 0.0162 0.0998 0.1128 81 LEU C CB 3476 C CG . LEU C 82 ? 0.3295 0.5355 0.8251 0.0183 0.0839 0.1457 81 LEU C CG 3477 C CD1 . LEU C 82 ? 0.3221 0.5356 0.8622 0.0410 0.0920 0.1658 81 LEU C CD1 3478 C CD2 . LEU C 82 ? 0.3352 0.5810 0.8775 0.0141 0.0940 0.1591 81 LEU C CD2 3479 N N . LEU C 83 ? 0.3762 0.4580 0.7323 -0.0001 0.1348 0.0655 82 LEU C N 3480 C CA . LEU C 83 ? 0.3954 0.4445 0.7082 -0.0036 0.1537 0.0430 82 LEU C CA 3481 C C . LEU C 83 ? 0.3979 0.4201 0.6867 0.0038 0.1552 0.0288 82 LEU C C 3482 O O . LEU C 83 ? 0.4066 0.4070 0.6434 -0.0038 0.1512 0.0142 82 LEU C O 3483 C CB . LEU C 83 ? 0.4151 0.4716 0.7555 -0.0020 0.1888 0.0375 82 LEU C CB 3484 C CG . LEU C 83 ? 0.4404 0.4862 0.7394 -0.0166 0.2044 0.0234 82 LEU C CG 3485 C CD1 . LEU C 83 ? 0.4550 0.5186 0.7948 -0.0153 0.2385 0.0222 82 LEU C CD1 3486 C CD2 . LEU C 83 ? 0.4591 0.4767 0.7016 -0.0219 0.2106 0.0013 82 LEU C CD2 3487 N N . ASP C 84 ? 0.3934 0.4202 0.7230 0.0182 0.1606 0.0362 83 ASP C N 3488 C CA . ASP C 84 ? 0.3993 0.4007 0.7147 0.0246 0.1647 0.0239 83 ASP C CA 3489 C C . ASP C 84 ? 0.3855 0.3750 0.6527 0.0187 0.1352 0.0206 83 ASP C C 3490 O O . ASP C 84 ? 0.3917 0.3599 0.6353 0.0191 0.1383 0.0062 83 ASP C O 3491 C CB . ASP C 84 ? 0.3973 0.4084 0.7739 0.0424 0.1737 0.0413 83 ASP C CB 3492 C CG . ASP C 84 ? 0.4327 0.4411 0.8587 0.0521 0.2144 0.0373 83 ASP C CG 3493 O OD1 . ASP C 84 ? 0.4642 0.4552 0.8649 0.0426 0.2390 0.0114 83 ASP C OD1 3494 O OD2 . ASP C 84 ? 0.4416 0.4678 0.9336 0.0692 0.2232 0.0612 83 ASP C OD2 3495 N N . ASP C 85 ? 0.3692 0.3726 0.6243 0.0118 0.1093 0.0322 84 ASP C N 3496 C CA . ASP C 85 ? 0.3584 0.3505 0.5735 0.0069 0.0846 0.0289 84 ASP C CA 3497 C C . ASP C 85 ? 0.3693 0.3404 0.5339 -0.0013 0.0853 0.0140 84 ASP C C 3498 O O . ASP C 85 ? 0.3666 0.3262 0.5007 -0.0025 0.0700 0.0101 84 ASP C O 3499 C CB . ASP C 85 ? 0.3473 0.3595 0.5686 -0.0002 0.0613 0.0428 84 ASP C CB 3500 C CG . ASP C 85 ? 0.3418 0.3864 0.6096 0.0057 0.0547 0.0627 84 ASP C CG 3501 O OD1 . ASP C 85 ? 0.3403 0.3834 0.6258 0.0178 0.0594 0.0678 84 ASP C OD1 3502 O OD2 . ASP C 85 ? 0.3401 0.4147 0.6280 -0.0030 0.0446 0.0753 84 ASP C OD2 3503 N N . THR C 86 ? 0.3839 0.3544 0.5420 -0.0071 0.1034 0.0083 85 THR C N 3504 C CA . THR C 86 ? 0.3998 0.3589 0.5116 -0.0157 0.1059 -0.0011 85 THR C CA 3505 C C . THR C 86 ? 0.4036 0.3520 0.4924 -0.0143 0.1068 -0.0156 85 THR C C 3506 O O . THR C 86 ? 0.4160 0.3611 0.5129 -0.0146 0.1280 -0.0302 85 THR C O 3507 C CB . THR C 86 ? 0.4234 0.3890 0.5326 -0.0237 0.1299 -0.0063 85 THR C CB 3508 O OG1 . THR C 86 ? 0.4219 0.4005 0.5611 -0.0252 0.1313 0.0072 85 THR C OG1 3509 C CG2 . THR C 86 ? 0.4395 0.4027 0.4991 -0.0347 0.1281 -0.0082 85 THR C CG2 3510 N N . ALA C 87 ? 0.3942 0.3370 0.4578 -0.0137 0.0861 -0.0127 86 ALA C N 3511 C CA . ALA C 87 ? 0.3964 0.3338 0.4403 -0.0135 0.0830 -0.0242 86 ALA C CA 3512 C C . ALA C 87 ? 0.3895 0.3248 0.4102 -0.0116 0.0604 -0.0164 86 ALA C C 3513 O O . ALA C 87 ? 0.3864 0.3190 0.4095 -0.0098 0.0491 -0.0040 86 ALA C O 3514 C CB . ALA C 87 ? 0.3872 0.3195 0.4624 -0.0052 0.0878 -0.0279 86 ALA C CB 3515 N N . THR C 88 ? 0.3925 0.3291 0.3938 -0.0131 0.0565 -0.0250 87 THR C N 3516 C CA . THR C 88 ? 0.3825 0.3191 0.3702 -0.0086 0.0376 -0.0180 87 THR C CA 3517 C C . THR C 88 ? 0.3636 0.2936 0.3699 -0.0014 0.0305 -0.0204 87 THR C C 3518 O O . THR C 88 ? 0.3620 0.2900 0.3811 -0.0016 0.0400 -0.0296 87 THR C O 3519 C CB . THR C 88 ? 0.3948 0.3461 0.3526 -0.0159 0.0358 -0.0228 87 THR C CB 3520 O OG1 . THR C 88 ? 0.4169 0.3803 0.3554 -0.0237 0.0406 -0.0153 87 THR C OG1 3521 C CG2 . THR C 88 ? 0.3867 0.3415 0.3384 -0.0087 0.0183 -0.0137 87 THR C CG2 3522 N N . TYR C 89 ? 0.3540 0.2800 0.3626 0.0037 0.0163 -0.0119 88 TYR C N 3523 C CA . TYR C 89 ? 0.3415 0.2663 0.3626 0.0080 0.0085 -0.0126 88 TYR C CA 3524 C C . TYR C 89 ? 0.3407 0.2659 0.3462 0.0110 -0.0011 -0.0145 88 TYR C C 3525 O O . TYR C 89 ? 0.3462 0.2682 0.3421 0.0134 -0.0065 -0.0092 88 TYR C O 3526 C CB . TYR C 89 ? 0.3330 0.2586 0.3705 0.0073 0.0025 -0.0050 88 TYR C CB 3527 C CG . TYR C 89 ? 0.3332 0.2664 0.3946 0.0055 0.0115 -0.0001 88 TYR C CG 3528 C CD1 . TYR C 89 ? 0.3414 0.2736 0.4027 0.0012 0.0187 0.0023 88 TYR C CD1 3529 C CD2 . TYR C 89 ? 0.3223 0.2658 0.4107 0.0090 0.0144 0.0050 88 TYR C CD2 3530 C CE1 . TYR C 89 ? 0.3423 0.2848 0.4299 0.0001 0.0288 0.0071 88 TYR C CE1 3531 C CE2 . TYR C 89 ? 0.3236 0.2778 0.4422 0.0101 0.0244 0.0129 88 TYR C CE2 3532 C CZ . TYR C 89 ? 0.3343 0.2887 0.4525 0.0054 0.0318 0.0125 88 TYR C CZ 3533 O OH . TYR C 89 ? 0.3387 0.3069 0.4910 0.0070 0.0435 0.0205 88 TYR C OH 3534 N N . ILE C 90 ? 0.3384 0.2669 0.3459 0.0114 -0.0010 -0.0207 89 ILE C N 3535 C CA . ILE C 90 ? 0.3398 0.2740 0.3349 0.0132 -0.0081 -0.0234 89 ILE C CA 3536 C C . ILE C 90 ? 0.3335 0.2672 0.3361 0.0161 -0.0145 -0.0231 89 ILE C C 3537 O O . ILE C 90 ? 0.3301 0.2640 0.3459 0.0151 -0.0119 -0.0224 89 ILE C O 3538 C CB . ILE C 90 ? 0.3457 0.2894 0.3313 0.0062 -0.0019 -0.0334 89 ILE C CB 3539 C CG1 . ILE C 90 ? 0.3604 0.3121 0.3307 -0.0005 0.0035 -0.0342 89 ILE C CG1 3540 C CG2 . ILE C 90 ? 0.3424 0.2988 0.3198 0.0070 -0.0103 -0.0344 89 ILE C CG2 3541 C CD1 . ILE C 90 ? 0.3724 0.3317 0.3332 -0.0141 0.0159 -0.0507 89 ILE C CD1 3542 N N . CYS C 91 ? 0.3371 0.2712 0.3328 0.0201 -0.0210 -0.0218 90 CYS C N 3543 C CA . CYS C 91 ? 0.3347 0.2712 0.3320 0.0209 -0.0252 -0.0241 90 CYS C CA 3544 C C . CYS C 91 ? 0.3282 0.2757 0.3219 0.0218 -0.0257 -0.0279 90 CYS C C 3545 O O . CYS C 91 ? 0.3320 0.2881 0.3203 0.0242 -0.0266 -0.0269 90 CYS C O 3546 C CB . CYS C 91 ? 0.3462 0.2742 0.3406 0.0235 -0.0263 -0.0248 90 CYS C CB 3547 S SG . CYS C 91 ? 0.3761 0.3075 0.3677 0.0203 -0.0275 -0.0325 90 CYS C SG 3548 N N . VAL C 92 ? 0.3197 0.2713 0.3180 0.0188 -0.0254 -0.0297 91 VAL C N 3549 C CA . VAL C 92 ? 0.3148 0.2774 0.3118 0.0170 -0.0247 -0.0340 91 VAL C CA 3550 C C . VAL C 92 ? 0.3114 0.2791 0.3095 0.0170 -0.0266 -0.0334 91 VAL C C 3551 O O . VAL C 92 ? 0.3135 0.2795 0.3154 0.0139 -0.0270 -0.0282 91 VAL C O 3552 C CB . VAL C 92 ? 0.3183 0.2792 0.3212 0.0095 -0.0170 -0.0383 91 VAL C CB 3553 C CG1 . VAL C 92 ? 0.3196 0.2948 0.3190 0.0032 -0.0161 -0.0457 91 VAL C CG1 3554 C CG2 . VAL C 92 ? 0.3251 0.2796 0.3259 0.0068 -0.0113 -0.0413 91 VAL C CG2 3555 N N . VAL C 93 ? 0.3093 0.2879 0.3051 0.0199 -0.0274 -0.0367 92 VAL C N 3556 C CA . VAL C 93 ? 0.3092 0.2952 0.3041 0.0186 -0.0262 -0.0385 92 VAL C CA 3557 C C . VAL C 93 ? 0.3069 0.3068 0.3066 0.0137 -0.0241 -0.0399 92 VAL C C 3558 O O . VAL C 93 ? 0.3088 0.3212 0.3114 0.0141 -0.0248 -0.0424 92 VAL C O 3559 C CB . VAL C 93 ? 0.3162 0.3031 0.3106 0.0261 -0.0236 -0.0429 92 VAL C CB 3560 C CG1 . VAL C 93 ? 0.3238 0.3211 0.3161 0.0230 -0.0190 -0.0481 92 VAL C CG1 3561 C CG2 . VAL C 93 ? 0.3258 0.2949 0.3158 0.0269 -0.0225 -0.0448 92 VAL C CG2 3562 N N . GLY C 94 ? 0.3066 0.3077 0.3077 0.0074 -0.0217 -0.0362 93 GLY C N 3563 C CA . GLY C 94 ? 0.3064 0.3183 0.3135 0.0008 -0.0175 -0.0373 93 GLY C CA 3564 C C . GLY C 94 ? 0.3085 0.3355 0.3121 0.0008 -0.0158 -0.0383 93 GLY C C 3565 O O . GLY C 94 ? 0.3151 0.3420 0.3102 -0.0007 -0.0159 -0.0348 93 GLY C O 3566 N N . ASP C 95 ? 0.3056 0.3501 0.3155 0.0005 -0.0137 -0.0434 94 ASP C N 3567 C CA . ASP C 95 ? 0.3103 0.3713 0.3206 0.0023 -0.0088 -0.0464 94 ASP C CA 3568 C C . ASP C 95 ? 0.3170 0.3880 0.3275 -0.0084 -0.0033 -0.0426 94 ASP C C 3569 O O . ASP C 95 ? 0.3247 0.4119 0.3350 -0.0088 0.0028 -0.0460 94 ASP C O 3570 C CB . ASP C 95 ? 0.3086 0.3901 0.3325 0.0105 -0.0086 -0.0497 94 ASP C CB 3571 C CG . ASP C 95 ? 0.3079 0.4084 0.3415 0.0020 -0.0120 -0.0494 94 ASP C CG 3572 O OD1 . ASP C 95 ? 0.3179 0.4127 0.3498 -0.0113 -0.0095 -0.0505 94 ASP C OD1 3573 O OD2 . ASP C 95 ? 0.3119 0.4351 0.3564 0.0074 -0.0163 -0.0474 94 ASP C OD2 3574 N N . ARG C 96 ? 0.3181 0.3783 0.3318 -0.0168 -0.0028 -0.0348 95 ARG C N 3575 C CA . ARG C 96 ? 0.3263 0.3915 0.3426 -0.0269 0.0035 -0.0251 95 ARG C CA 3576 C C . ARG C 96 ? 0.3315 0.3785 0.3516 -0.0292 0.0036 -0.0090 95 ARG C C 3577 O O . ARG C 96 ? 0.3271 0.3566 0.3526 -0.0249 0.0015 -0.0095 95 ARG C O 3578 C CB . ARG C 96 ? 0.3294 0.4037 0.3602 -0.0366 0.0099 -0.0298 95 ARG C CB 3579 C CG . ARG C 96 ? 0.3233 0.4252 0.3591 -0.0346 0.0093 -0.0410 95 ARG C CG 3580 C CD . ARG C 96 ? 0.3287 0.4507 0.3616 -0.0340 0.0155 -0.0401 95 ARG C CD 3581 N NE . ARG C 96 ? 0.3322 0.4845 0.3810 -0.0332 0.0180 -0.0472 95 ARG C NE 3582 C CZ . ARG C 96 ? 0.3282 0.4947 0.3857 -0.0198 0.0149 -0.0519 95 ARG C CZ 3583 N NH1 . ARG C 96 ? 0.3205 0.5220 0.3990 -0.0188 0.0169 -0.0531 95 ARG C NH1 3584 N NH2 . ARG C 96 ? 0.3283 0.4764 0.3777 -0.0072 0.0104 -0.0528 95 ARG C NH2 3585 N N . GLY C 97 ? 0.3433 0.3976 0.3633 -0.0355 0.0072 0.0077 96 GLY C N 3586 C CA . GLY C 97 ? 0.3514 0.3938 0.3843 -0.0360 0.0089 0.0310 96 GLY C CA 3587 C C . GLY C 97 ? 0.3639 0.3897 0.4210 -0.0424 0.0225 0.0374 96 GLY C C 3588 O O . GLY C 97 ? 0.3811 0.4019 0.4541 -0.0439 0.0287 0.0629 96 GLY C O 3589 N N . SER C 98 ? 0.3613 0.3805 0.4231 -0.0474 0.0279 0.0153 97 SER C N 3590 C CA . SER C 98 ? 0.3775 0.3797 0.4606 -0.0591 0.0436 0.0128 97 SER C CA 3591 C C . SER C 98 ? 0.3752 0.3698 0.4593 -0.0654 0.0461 -0.0146 97 SER C C 3592 O O . SER C 98 ? 0.3604 0.3661 0.4295 -0.0587 0.0343 -0.0269 97 SER C O 3593 C CB . SER C 98 ? 0.3859 0.4071 0.4692 -0.0702 0.0490 0.0157 97 SER C CB 3594 O OG . SER C 98 ? 0.3722 0.4188 0.4443 -0.0733 0.0429 -0.0058 97 SER C OG 3595 N N . ALA C 99 ? 0.3957 0.3729 0.4968 -0.0807 0.0625 -0.0237 98 ALA C N 3596 C CA . ALA C 99 ? 0.4009 0.3767 0.4997 -0.0943 0.0667 -0.0521 98 ALA C CA 3597 C C . ALA C 99 ? 0.3859 0.4038 0.4689 -0.0996 0.0525 -0.0667 98 ALA C C 3598 O O . ALA C 99 ? 0.3882 0.4186 0.4630 -0.1079 0.0485 -0.0854 98 ALA C O 3599 C CB . ALA C 99 ? 0.4333 0.3822 0.5536 -0.1147 0.0908 -0.0617 98 ALA C CB 3600 N N . LEU C 100 ? 0.3743 0.4178 0.4549 -0.0950 0.0459 -0.0564 99 LEU C N 3601 C CA . LEU C 100 ? 0.3602 0.4463 0.4349 -0.0955 0.0347 -0.0650 99 LEU C CA 3602 C C . LEU C 100 ? 0.3405 0.4382 0.4022 -0.0770 0.0196 -0.0647 99 LEU C C 3603 O O . LEU C 100 ? 0.3298 0.4622 0.3924 -0.0733 0.0109 -0.0680 99 LEU C O 3604 C CB . LEU C 100 ? 0.3590 0.4663 0.4378 -0.0944 0.0367 -0.0546 99 LEU C CB 3605 C CG . LEU C 100 ? 0.3786 0.4849 0.4723 -0.1140 0.0513 -0.0530 99 LEU C CG 3606 C CD1 . LEU C 100 ? 0.3762 0.5067 0.4692 -0.1100 0.0526 -0.0412 99 LEU C CD1 3607 C CD2 . LEU C 100 ? 0.3879 0.5142 0.4914 -0.1366 0.0544 -0.0730 99 LEU C CD2 3608 N N . GLY C 101 ? 0.3383 0.4080 0.3925 -0.0652 0.0177 -0.0585 100 GLY C N 3609 C CA . GLY C 101 ? 0.3237 0.3974 0.3667 -0.0484 0.0060 -0.0568 100 GLY C CA 3610 C C . GLY C 101 ? 0.3221 0.4018 0.3602 -0.0505 0.0003 -0.0665 100 GLY C C 3611 O O . GLY C 101 ? 0.3331 0.4067 0.3722 -0.0665 0.0067 -0.0778 100 GLY C O 3612 N N . ARG C 102 ? 0.3116 0.4032 0.3441 -0.0358 -0.0097 -0.0624 103 ARG C N 3613 C CA . ARG C 102 ? 0.3142 0.4133 0.3398 -0.0353 -0.0165 -0.0654 103 ARG C CA 3614 C C . ARG C 102 ? 0.3087 0.3813 0.3265 -0.0208 -0.0189 -0.0592 103 ARG C C 3615 O O . ARG C 102 ? 0.3020 0.3674 0.3200 -0.0075 -0.0203 -0.0522 103 ARG C O 3616 C CB . ARG C 102 ? 0.3084 0.4506 0.3407 -0.0306 -0.0260 -0.0603 103 ARG C CB 3617 C CG . ARG C 102 ? 0.3246 0.5025 0.3685 -0.0450 -0.0252 -0.0646 103 ARG C CG 3618 C CD . ARG C 102 ? 0.3602 0.5500 0.3969 -0.0715 -0.0238 -0.0791 103 ARG C CD 3619 N NE . ARG C 102 ? 0.3765 0.6210 0.4151 -0.0786 -0.0362 -0.0753 103 ARG C NE 3620 C CZ . ARG C 102 ? 0.3864 0.6783 0.4382 -0.0923 -0.0400 -0.0760 103 ARG C CZ 3621 N NH1 . ARG C 102 ? 0.3913 0.6774 0.4544 -0.1004 -0.0303 -0.0825 103 ARG C NH1 3622 N NH2 . ARG C 102 ? 0.3929 0.7429 0.4480 -0.0987 -0.0538 -0.0676 103 ARG C NH2 3623 N N . LEU C 103 ? 0.3146 0.3737 0.3249 -0.0259 -0.0174 -0.0639 104 LEU C N 3624 C CA . LEU C 103 ? 0.3097 0.3476 0.3144 -0.0145 -0.0194 -0.0581 104 LEU C CA 3625 C C . LEU C 103 ? 0.3072 0.3632 0.3075 -0.0051 -0.0285 -0.0513 104 LEU C C 3626 O O . LEU C 103 ? 0.3128 0.3982 0.3109 -0.0120 -0.0332 -0.0517 104 LEU C O 3627 C CB . LEU C 103 ? 0.3187 0.3344 0.3214 -0.0231 -0.0104 -0.0653 104 LEU C CB 3628 C CG . LEU C 103 ? 0.3272 0.3211 0.3427 -0.0306 0.0027 -0.0681 104 LEU C CG 3629 C CD1 . LEU C 103 ? 0.3382 0.3086 0.3579 -0.0361 0.0160 -0.0755 104 LEU C CD1 3630 C CD2 . LEU C 103 ? 0.3139 0.2985 0.3374 -0.0198 0.0006 -0.0529 104 LEU C CD2 3631 N N . HIS C 104 ? 0.3017 0.3426 0.3024 0.0090 -0.0304 -0.0435 105 HIS C N 3632 C CA . HIS C 104 ? 0.3028 0.3524 0.3047 0.0203 -0.0355 -0.0334 105 HIS C CA 3633 C C . HIS C 104 ? 0.3060 0.3323 0.3000 0.0220 -0.0345 -0.0314 105 HIS C C 3634 O O . HIS C 104 ? 0.3032 0.3055 0.2973 0.0252 -0.0315 -0.0327 105 HIS C O 3635 C CB . HIS C 104 ? 0.3014 0.3502 0.3152 0.0344 -0.0335 -0.0284 105 HIS C CB 3636 C CG . HIS C 104 ? 0.2997 0.3754 0.3252 0.0342 -0.0328 -0.0289 105 HIS C CG 3637 N ND1 . HIS C 104 ? 0.2969 0.3695 0.3216 0.0273 -0.0280 -0.0374 105 HIS C ND1 3638 C CD2 . HIS C 104 ? 0.2992 0.4099 0.3402 0.0398 -0.0362 -0.0192 105 HIS C CD2 3639 C CE1 . HIS C 104 ? 0.2929 0.3947 0.3309 0.0279 -0.0273 -0.0359 105 HIS C CE1 3640 N NE2 . HIS C 104 ? 0.2980 0.4250 0.3478 0.0358 -0.0327 -0.0247 105 HIS C NE2 3641 N N . PHE C 105 ? 0.3117 0.3505 0.2980 0.0175 -0.0372 -0.0278 106 PHE C N 3642 C CA . PHE C 105 ? 0.3132 0.3342 0.2913 0.0160 -0.0344 -0.0270 106 PHE C CA 3643 C C . PHE C 105 ? 0.3197 0.3372 0.3007 0.0283 -0.0370 -0.0115 106 PHE C C 3644 O O . PHE C 105 ? 0.3267 0.3676 0.3131 0.0348 -0.0420 0.0022 106 PHE C O 3645 C CB . PHE C 105 ? 0.3242 0.3607 0.2885 0.0000 -0.0320 -0.0348 106 PHE C CB 3646 C CG . PHE C 105 ? 0.3202 0.3451 0.2850 -0.0132 -0.0221 -0.0526 106 PHE C CG 3647 C CD1 . PHE C 105 ? 0.3217 0.3617 0.2892 -0.0226 -0.0217 -0.0610 106 PHE C CD1 3648 C CD2 . PHE C 105 ? 0.3168 0.3160 0.2837 -0.0162 -0.0108 -0.0596 106 PHE C CD2 3649 C CE1 . PHE C 105 ? 0.3371 0.3608 0.3091 -0.0353 -0.0088 -0.0764 106 PHE C CE1 3650 C CE2 . PHE C 105 ? 0.3220 0.3065 0.2970 -0.0260 0.0025 -0.0731 106 PHE C CE2 3651 C CZ . PHE C 105 ? 0.3335 0.3275 0.3107 -0.0358 0.0043 -0.0818 106 PHE C CZ 3652 N N . GLY C 106 ? 0.3186 0.3089 0.2999 0.0310 -0.0329 -0.0116 107 GLY C N 3653 C CA . GLY C 106 ? 0.3290 0.3101 0.3132 0.0390 -0.0320 0.0017 107 GLY C CA 3654 C C . GLY C 106 ? 0.3413 0.3340 0.3127 0.0316 -0.0322 0.0080 107 GLY C C 3655 O O . GLY C 106 ? 0.3405 0.3388 0.3011 0.0192 -0.0294 -0.0039 107 GLY C O 3656 N N . ALA C 107 ? 0.3564 0.3519 0.3303 0.0386 -0.0328 0.0269 108 ALA C N 3657 C CA . ALA C 107 ? 0.3706 0.3837 0.3293 0.0304 -0.0332 0.0366 108 ALA C CA 3658 C C . ALA C 107 ? 0.3727 0.3641 0.3244 0.0222 -0.0247 0.0270 108 ALA C C 3659 O O . ALA C 107 ? 0.3873 0.3931 0.3229 0.0115 -0.0216 0.0281 108 ALA C O 3660 C CB . ALA C 107 ? 0.3881 0.4135 0.3554 0.0417 -0.0361 0.0663 108 ALA C CB 3661 N N . GLY C 108 ? 0.3614 0.3232 0.3253 0.0257 -0.0205 0.0180 109 GLY C N 3662 C CA . GLY C 108 ? 0.3610 0.3079 0.3257 0.0188 -0.0130 0.0107 109 GLY C CA 3663 C C . GLY C 108 ? 0.3735 0.3029 0.3452 0.0212 -0.0092 0.0219 109 GLY C C 3664 O O . GLY C 108 ? 0.3878 0.3140 0.3625 0.0283 -0.0100 0.0380 109 GLY C O 3665 N N . THR C 109 ? 0.3713 0.2901 0.3499 0.0153 -0.0036 0.0151 110 THR C N 3666 C CA . THR C 109 ? 0.3846 0.2890 0.3708 0.0129 0.0015 0.0231 110 THR C CA 3667 C C . THR C 109 ? 0.3865 0.2989 0.3716 0.0045 0.0101 0.0209 110 THR C C 3668 O O . THR C 109 ? 0.3752 0.2917 0.3696 0.0017 0.0132 0.0099 110 THR C O 3669 C CB . THR C 109 ? 0.3799 0.2679 0.3810 0.0109 0.0000 0.0157 110 THR C CB 3670 O OG1 . THR C 109 ? 0.3901 0.2667 0.3925 0.0176 -0.0025 0.0154 110 THR C OG1 3671 C CG2 . THR C 109 ? 0.3947 0.2707 0.4050 0.0032 0.0065 0.0205 110 THR C CG2 3672 N N . GLN C 110 ? 0.4050 0.3205 0.3815 0.0012 0.0157 0.0333 111 GLN C N 3673 C CA . GLN C 110 ? 0.4119 0.3358 0.3867 -0.0077 0.0273 0.0305 111 GLN C CA 3674 C C . GLN C 110 ? 0.4040 0.3164 0.4012 -0.0112 0.0318 0.0309 111 GLN C C 3675 O O . GLN C 110 ? 0.4133 0.3109 0.4168 -0.0118 0.0304 0.0405 111 GLN C O 3676 C CB . GLN C 110 ? 0.4372 0.3751 0.3905 -0.0128 0.0319 0.0451 111 GLN C CB 3677 C CG . GLN C 110 ? 0.4603 0.4223 0.3896 -0.0147 0.0263 0.0453 111 GLN C CG 3678 C CD . GLN C 110 ? 0.5151 0.5008 0.4211 -0.0221 0.0283 0.0648 111 GLN C CD 3679 O OE1 . GLN C 110 ? 0.5396 0.5336 0.4433 -0.0151 0.0191 0.0893 111 GLN C OE1 3680 N NE2 . GLN C 110 ? 0.5317 0.5306 0.4225 -0.0363 0.0418 0.0562 111 GLN C NE2 3681 N N . LEU C 111 ? 0.3897 0.3099 0.4026 -0.0141 0.0387 0.0211 112 LEU C N 3682 C CA . LEU C 111 ? 0.3868 0.3076 0.4240 -0.0194 0.0428 0.0239 112 LEU C CA 3683 C C . LEU C 111 ? 0.3984 0.3308 0.4402 -0.0250 0.0598 0.0243 112 LEU C C 3684 O O . LEU C 111 ? 0.3999 0.3407 0.4415 -0.0239 0.0707 0.0143 112 LEU C O 3685 C CB . LEU C 111 ? 0.3640 0.2921 0.4257 -0.0171 0.0359 0.0185 112 LEU C CB 3686 C CG . LEU C 111 ? 0.3619 0.3030 0.4531 -0.0245 0.0369 0.0236 112 LEU C CG 3687 C CD1 . LEU C 111 ? 0.3682 0.2979 0.4560 -0.0351 0.0327 0.0273 112 LEU C CD1 3688 C CD2 . LEU C 111 ? 0.3483 0.3072 0.4632 -0.0219 0.0280 0.0242 112 LEU C CD2 3689 N N . ILE C 112 ? 0.4125 0.3431 0.4587 -0.0325 0.0650 0.0344 113 ILE C N 3690 C CA . ILE C 112 ? 0.4252 0.3689 0.4806 -0.0392 0.0827 0.0354 113 ILE C CA 3691 C C . ILE C 112 ? 0.4198 0.3713 0.5110 -0.0445 0.0831 0.0396 113 ILE C C 3692 O O . ILE C 112 ? 0.4251 0.3669 0.5197 -0.0514 0.0754 0.0464 113 ILE C O 3693 C CB . ILE C 112 ? 0.4522 0.3947 0.4803 -0.0465 0.0906 0.0470 113 ILE C CB 3694 C CG1 . ILE C 112 ? 0.4613 0.4105 0.4541 -0.0451 0.0900 0.0437 113 ILE C CG1 3695 C CG2 . ILE C 112 ? 0.4641 0.4205 0.5037 -0.0558 0.1104 0.0484 113 ILE C CG2 3696 C CD1 . ILE C 112 ? 0.4871 0.4440 0.4503 -0.0523 0.0930 0.0619 113 ILE C CD1 3697 N N . VAL C 113 ? 0.4124 0.3830 0.5336 -0.0420 0.0934 0.0356 114 VAL C N 3698 C CA . VAL C 113 ? 0.4084 0.3988 0.5690 -0.0477 0.0937 0.0429 114 VAL C CA 3699 C C . VAL C 113 ? 0.4266 0.4286 0.5979 -0.0548 0.1150 0.0466 114 VAL C C 3700 O O . VAL C 113 ? 0.4357 0.4413 0.6039 -0.0508 0.1345 0.0394 114 VAL C O 3701 C CB . VAL C 113 ? 0.3882 0.4002 0.5869 -0.0382 0.0902 0.0438 114 VAL C CB 3702 C CG1 . VAL C 113 ? 0.3825 0.4272 0.6256 -0.0453 0.0887 0.0559 114 VAL C CG1 3703 C CG2 . VAL C 113 ? 0.3699 0.3734 0.5559 -0.0334 0.0696 0.0412 114 VAL C CG2 3704 N N . ILE C 114 ? 0.4378 0.4446 0.6200 -0.0677 0.1134 0.0557 115 ILE C N 3705 C CA . ILE C 114 ? 0.4575 0.4789 0.6543 -0.0764 0.1334 0.0612 115 ILE C CA 3706 C C . ILE C 114 ? 0.4465 0.5043 0.6987 -0.0757 0.1382 0.0657 115 ILE C C 3707 O O . ILE C 114 ? 0.4370 0.5110 0.7129 -0.0819 0.1211 0.0715 115 ILE C O 3708 C CB . ILE C 114 ? 0.4779 0.4844 0.6597 -0.0923 0.1321 0.0710 115 ILE C CB 3709 C CG1 . ILE C 114 ? 0.4972 0.4767 0.6315 -0.0901 0.1334 0.0745 115 ILE C CG1 3710 C CG2 . ILE C 114 ? 0.4936 0.5219 0.7010 -0.1043 0.1509 0.0783 115 ILE C CG2 3711 C CD1 . ILE C 114 ? 0.5324 0.4917 0.6556 -0.1023 0.1346 0.0893 115 ILE C CD1 3712 N N . PRO C 115 ? 0.4532 0.5275 0.7279 -0.0691 0.1627 0.0633 116 PRO C N 3713 C CA . PRO C 115 ? 0.4432 0.5562 0.7799 -0.0643 0.1700 0.0722 116 PRO C CA 3714 C C . PRO C 115 ? 0.4534 0.5917 0.8156 -0.0811 0.1745 0.0833 116 PRO C C 3715 O O . PRO C 115 ? 0.4759 0.5993 0.8102 -0.0933 0.1856 0.0818 116 PRO C O 3716 C CB . PRO C 115 ? 0.4540 0.5665 0.8030 -0.0512 0.2012 0.0620 116 PRO C CB 3717 C CG . PRO C 115 ? 0.4800 0.5665 0.7723 -0.0608 0.2142 0.0496 116 PRO C CG 3718 C CD . PRO C 115 ? 0.4746 0.5357 0.7194 -0.0673 0.1865 0.0520 116 PRO C CD 3719 N N . ASP C 116 ? 0.4400 0.6201 0.8552 -0.0832 0.1655 0.0966 117 ASP C N 3720 C CA . ASP C 116 ? 0.4516 0.6637 0.8985 -0.1010 0.1713 0.1069 117 ASP C CA 3721 C C . ASP C 116 ? 0.4544 0.6976 0.9509 -0.0907 0.2018 0.1125 117 ASP C C 3722 O O . ASP C 116 ? 0.4409 0.7053 0.9805 -0.0707 0.2092 0.1183 117 ASP C O 3723 C CB . ASP C 116 ? 0.4407 0.6898 0.9163 -0.1164 0.1440 0.1179 117 ASP C CB 3724 C CG . ASP C 116 ? 0.4234 0.7147 0.9463 -0.1006 0.1325 0.1317 117 ASP C CG 3725 O OD1 . ASP C 116 ? 0.4237 0.7737 1.0043 -0.1059 0.1297 0.1499 117 ASP C OD1 3726 O OD2 . ASP C 116 ? 0.4158 0.6851 0.9209 -0.0832 0.1262 0.1273 117 ASP C OD2 3727 N N . ILE C 117 ? 0.7746 0.8432 0.9592 -0.1087 0.1303 -0.2543 118 ILE C N 3728 C CA . ILE C 117 ? 0.7378 0.8218 0.9620 -0.1193 0.1303 -0.2193 118 ILE C CA 3729 C C . ILE C 117 ? 0.7657 0.8711 1.0155 -0.1507 0.1109 -0.2318 118 ILE C C 3730 O O . ILE C 117 ? 0.8087 0.8710 1.0675 -0.1703 0.1087 -0.2523 118 ILE C O 3731 C CB . ILE C 117 ? 0.7237 0.7539 0.9664 -0.1123 0.1498 -0.2004 118 ILE C CB 3732 C CG1 . ILE C 117 ? 0.7040 0.7108 0.9217 -0.0817 0.1644 -0.1944 118 ILE C CG1 3733 C CG2 . ILE C 117 ? 0.6892 0.7479 0.9717 -0.1205 0.1549 -0.1680 118 ILE C CG2 3734 C CD1 . ILE C 117 ? 0.6570 0.7126 0.8639 -0.0669 0.1667 -0.1716 118 ILE C CD1 3735 N N . GLN C 118 ? 0.7489 0.9187 1.0097 -0.1564 0.0935 -0.2188 119 GLN C N 3736 C CA . GLN C 118 ? 0.7748 0.9818 1.0636 -0.1853 0.0695 -0.2313 119 GLN C CA 3737 C C . GLN C 118 ? 0.7566 0.9708 1.1075 -0.2023 0.0769 -0.2154 119 GLN C C 3738 O O . GLN C 118 ? 0.7904 1.0112 1.1690 -0.2348 0.0655 -0.2326 119 GLN C O 3739 C CB . GLN C 118 ? 0.7700 1.0447 1.0492 -0.1821 0.0433 -0.2202 119 GLN C CB 3740 N N . ASN C 119 ? 0.7079 0.9237 1.0791 -0.1829 0.0969 -0.1844 120 ASN C N 3741 C CA . ASN C 119 ? 0.6906 0.9238 1.1180 -0.1969 0.1104 -0.1694 120 ASN C CA 3742 C C . ASN C 119 ? 0.6767 0.8526 1.0944 -0.1867 0.1425 -0.1526 120 ASN C C 3743 O O . ASN C 119 ? 0.6386 0.8276 1.0634 -0.1623 0.1561 -0.1295 120 ASN C O 3744 C CB . ASN C 119 ? 0.6545 0.9670 1.1272 -0.1836 0.0987 -0.1508 120 ASN C CB 3745 C CG . ASN C 119 ? 0.6741 1.0442 1.1556 -0.1938 0.0611 -0.1639 120 ASN C CG 3746 O OD1 . ASN C 119 ? 0.6985 1.1021 1.2175 -0.2253 0.0476 -0.1806 120 ASN C OD1 3747 N ND2 . ASN C 119 ? 0.6678 1.0493 1.1115 -0.1706 0.0422 -0.1547 120 ASN C ND2 3748 N N . PRO C 120 ? 0.7170 0.8234 1.1145 -0.2048 0.1513 -0.1647 121 PRO C N 3749 C CA . PRO C 120 ? 0.7169 0.7638 1.0993 -0.1980 0.1767 -0.1466 121 PRO C CA 3750 C C . PRO C 120 ? 0.7072 0.7825 1.1320 -0.2194 0.1965 -0.1261 121 PRO C C 3751 O O . PRO C 120 ? 0.7244 0.8401 1.1906 -0.2542 0.1917 -0.1330 121 PRO C O 3752 C CB . PRO C 120 ? 0.7831 0.7455 1.1332 -0.2133 0.1712 -0.1671 121 PRO C CB 3753 C CG . PRO C 120 ? 0.8205 0.8058 1.1874 -0.2447 0.1488 -0.1941 121 PRO C CG 3754 C CD . PRO C 120 ? 0.7765 0.8486 1.1588 -0.2308 0.1338 -0.1965 121 PRO C CD 3755 N N . ASP C 121 ? 0.6822 0.7425 1.0965 -0.2001 0.2192 -0.1033 122 ASP C N 3756 C CA . ASP C 121 ? 0.6774 0.7690 1.1241 -0.2169 0.2439 -0.0856 122 ASP C CA 3757 C C . ASP C 121 ? 0.6885 0.7171 1.0933 -0.2059 0.2670 -0.0650 122 ASP C C 3758 O O . ASP C 121 ? 0.6550 0.7087 1.0612 -0.1810 0.2818 -0.0520 122 ASP C O 3759 C CB . ASP C 121 ? 0.6255 0.8107 1.1207 -0.1961 0.2434 -0.0825 122 ASP C CB 3760 C CG . ASP C 121 ? 0.6243 0.8690 1.1695 -0.2161 0.2689 -0.0747 122 ASP C CG 3761 O OD1 . ASP C 121 ? 0.6672 0.9015 1.2213 -0.2605 0.2821 -0.0736 122 ASP C OD1 3762 O OD2 . ASP C 121 ? 0.5839 0.8868 1.1596 -0.1877 0.2757 -0.0709 122 ASP C OD2 3763 N N . PRO C 122 ? 0.7454 0.6875 1.1105 -0.2239 0.2668 -0.0626 123 PRO C N 3764 C CA . PRO C 122 ? 0.7672 0.6403 1.0840 -0.2108 0.2804 -0.0424 123 PRO C CA 3765 C C . PRO C 122 ? 0.7683 0.6698 1.0910 -0.2235 0.3109 -0.0198 123 PRO C C 3766 O O . PRO C 122 ? 0.7924 0.7302 1.1455 -0.2636 0.3257 -0.0159 123 PRO C O 3767 C CB . PRO C 122 ? 0.8465 0.6244 1.1298 -0.2355 0.2686 -0.0448 123 PRO C CB 3768 C CG . PRO C 122 ? 0.8734 0.6786 1.1937 -0.2768 0.2595 -0.0610 123 PRO C CG 3769 C CD . PRO C 122 ? 0.8049 0.7037 1.1673 -0.2581 0.2500 -0.0790 123 PRO C CD 3770 N N . ALA C 123 ? 0.7464 0.6357 1.0397 -0.1911 0.3207 -0.0073 124 ALA C N 3771 C CA . ALA C 123 ? 0.7500 0.6662 1.0394 -0.1959 0.3505 0.0094 124 ALA C CA 3772 C C . ALA C 123 ? 0.7551 0.6169 0.9881 -0.1663 0.3530 0.0235 124 ALA C C 3773 O O . ALA C 123 ? 0.7325 0.5643 0.9471 -0.1339 0.3326 0.0177 124 ALA C O 3774 C CB . ALA C 123 ? 0.6950 0.7133 1.0422 -0.1817 0.3600 -0.0019 124 ALA C CB 3775 N N . VAL C 124 ? 0.7904 0.6456 0.9955 -0.1802 0.3785 0.0411 125 VAL C N 3776 C CA . VAL C 124 ? 0.7997 0.6132 0.9505 -0.1544 0.3813 0.0537 125 VAL C CA 3777 C C . VAL C 124 ? 0.7831 0.6600 0.9430 -0.1452 0.4096 0.0516 125 VAL C C 3778 O O . VAL C 124 ? 0.8152 0.7279 0.9810 -0.1761 0.4389 0.0571 125 VAL C O 3779 C CB . VAL C 124 ? 0.8825 0.6035 0.9670 -0.1762 0.3792 0.0786 125 VAL C CB 3780 C CG1 . VAL C 124 ? 0.8954 0.5833 0.9235 -0.1514 0.3808 0.0916 125 VAL C CG1 3781 C CG2 . VAL C 124 ? 0.9054 0.5552 0.9808 -0.1733 0.3470 0.0750 125 VAL C CG2 3782 N N . TYR C 125 ? 0.7386 0.6296 0.8994 -0.1041 0.4009 0.0417 126 TYR C N 3783 C CA . TYR C 125 ? 0.7280 0.6702 0.8969 -0.0865 0.4226 0.0331 126 TYR C CA 3784 C C . TYR C 125 ? 0.7541 0.6461 0.8578 -0.0678 0.4230 0.0415 126 TYR C C 3785 O O . TYR C 125 ? 0.7564 0.5881 0.8250 -0.0553 0.3985 0.0499 126 TYR C O 3786 C CB . TYR C 125 ? 0.6663 0.6640 0.8916 -0.0545 0.4088 0.0131 126 TYR C CB 3787 C CG . TYR C 125 ? 0.6396 0.6910 0.9289 -0.0687 0.4011 0.0035 126 TYR C CG 3788 C CD1 . TYR C 125 ? 0.6477 0.7725 0.9860 -0.0905 0.4247 -0.0043 126 TYR C CD1 3789 C CD2 . TYR C 125 ? 0.6079 0.6441 0.9090 -0.0616 0.3703 0.0003 126 TYR C CD2 3790 C CE1 . TYR C 125 ? 0.6260 0.8045 1.0257 -0.1050 0.4134 -0.0141 126 TYR C CE1 3791 C CE2 . TYR C 125 ? 0.5897 0.6747 0.9436 -0.0756 0.3599 -0.0097 126 TYR C CE2 3792 C CZ . TYR C 125 ? 0.5987 0.7531 1.0027 -0.0970 0.3792 -0.0165 126 TYR C CZ 3793 O OH . TYR C 125 ? 0.5869 0.7929 1.0450 -0.1121 0.3647 -0.0273 126 TYR C OH 3794 N N . GLN C 126 ? 0.7778 0.7008 0.8675 -0.0653 0.4505 0.0359 127 GLN C N 3795 C CA . GLN C 126 ? 0.8068 0.6888 0.8335 -0.0473 0.4503 0.0391 127 GLN C CA 3796 C C . GLN C 126 ? 0.7701 0.6815 0.8201 -0.0077 0.4447 0.0157 127 GLN C C 3797 O O . GLN C 126 ? 0.7598 0.7354 0.8532 0.0019 0.4639 -0.0042 127 GLN C O 3798 C CB . GLN C 126 ? 0.8796 0.7620 0.8542 -0.0747 0.4842 0.0492 127 GLN C CB 3799 C CG . GLN C 126 ? 0.9278 0.7553 0.8223 -0.0620 0.4785 0.0564 127 GLN C CG 3800 C CD . GLN C 126 ? 1.0169 0.8406 0.8461 -0.0940 0.5110 0.0702 127 GLN C CD 3801 O OE1 . GLN C 126 ? 1.0797 0.8344 0.8373 -0.1109 0.4994 0.0974 127 GLN C OE1 3802 N NE2 . GLN C 126 ? 1.0282 0.9293 0.8812 -0.1022 0.5512 0.0515 127 GLN C NE2 3803 N N . LEU C 127 ? 0.7571 0.6204 0.7799 0.0147 0.4165 0.0177 128 LEU C N 3804 C CA . LEU C 127 ? 0.7338 0.6051 0.7714 0.0484 0.4032 -0.0003 128 LEU C CA 3805 C C . LEU C 127 ? 0.7790 0.6124 0.7530 0.0591 0.4050 -0.0042 128 LEU C C 3806 O O . LEU C 127 ? 0.8082 0.5929 0.7280 0.0484 0.3952 0.0123 128 LEU C O 3807 C CB . LEU C 127 ? 0.6863 0.5385 0.7454 0.0597 0.3681 0.0044 128 LEU C CB 3808 C CG . LEU C 127 ? 0.6420 0.5299 0.7598 0.0553 0.3578 0.0038 128 LEU C CG 3809 C CD1 . LEU C 127 ? 0.6501 0.5423 0.7752 0.0255 0.3678 0.0138 128 LEU C CD1 3810 C CD2 . LEU C 127 ? 0.6086 0.4751 0.7285 0.0657 0.3261 0.0082 128 LEU C CD2 3811 N N . ARG C 128 ? 0.7917 0.6455 0.7724 0.0822 0.4141 -0.0282 129 ARG C N 3812 C CA . ARG C 128 ? 0.8446 0.6658 0.7623 0.0917 0.4180 -0.0386 129 ARG C CA 3813 C C . ARG C 128 ? 0.8369 0.6205 0.7501 0.1174 0.3861 -0.0498 129 ARG C C 3814 O O . ARG C 128 ? 0.8018 0.5982 0.7658 0.1353 0.3709 -0.0583 129 ARG C O 3815 C CB . ARG C 128 ? 0.8887 0.7574 0.8030 0.0958 0.4577 -0.0627 129 ARG C CB 3816 C CG . ARG C 128 ? 0.9016 0.8194 0.8290 0.0635 0.4924 -0.0514 129 ARG C CG 3817 C CD . ARG C 128 ? 0.9713 0.9274 0.8628 0.0565 0.5355 -0.0690 129 ARG C CD 3818 N NE . ARG C 128 ? 1.0399 0.9419 0.8343 0.0348 0.5384 -0.0505 129 ARG C NE 3819 C CZ . ARG C 128 ? 1.0831 0.9748 0.8349 -0.0064 0.5542 -0.0204 129 ARG C CZ 3820 N NH1 . ARG C 128 ? 1.1545 0.9909 0.8126 -0.0217 0.5501 -0.0024 129 ARG C NH1 3821 N NH2 . ARG C 128 ? 1.0640 0.9960 0.8636 -0.0342 0.5707 -0.0071 129 ARG C NH2 3822 N N . ASP C 129 ? 0.8764 0.6117 0.7258 0.1158 0.3735 -0.0476 130 ASP C N 3823 C CA . ASP C 129 ? 0.8824 0.5763 0.7186 0.1313 0.3419 -0.0567 130 ASP C CA 3824 C C . ASP C 129 ? 0.9027 0.6028 0.7609 0.1594 0.3454 -0.0880 130 ASP C C 3825 O O . ASP C 129 ? 0.9413 0.6689 0.7926 0.1699 0.3754 -0.1111 130 ASP C O 3826 C CB . ASP C 129 ? 0.9345 0.5844 0.6954 0.1228 0.3313 -0.0535 130 ASP C CB 3827 C CG . ASP C 129 ? 0.9425 0.5509 0.6926 0.1289 0.2937 -0.0577 130 ASP C CG 3828 O OD1 . ASP C 129 ? 0.9634 0.5585 0.7283 0.1460 0.2852 -0.0788 130 ASP C OD1 3829 O OD2 . ASP C 129 ? 0.9375 0.5257 0.6649 0.1159 0.2709 -0.0403 130 ASP C OD2 3830 N N . SER C 130 ? 0.8852 0.5592 0.7688 0.1712 0.3142 -0.0891 131 SER C N 3831 C CA . SER C 130 ? 0.9141 0.5774 0.8195 0.2014 0.3075 -0.1165 131 SER C CA 3832 C C . SER C 130 ? 0.9870 0.6089 0.8356 0.2145 0.3081 -0.1458 131 SER C C 3833 O O . SER C 130 ? 1.0291 0.6515 0.8892 0.2446 0.3158 -0.1789 131 SER C O 3834 C CB . SER C 130 ? 0.8919 0.5253 0.8280 0.2039 0.2693 -0.1029 131 SER C CB 3835 O OG . SER C 130 ? 0.9168 0.4970 0.8115 0.1877 0.2415 -0.0930 131 SER C OG 3836 N N . LYS C 131 ? 1.0081 0.5957 0.7964 0.1942 0.2981 -0.1364 132 LYS C N 3837 C CA . LYS C 131 ? 1.0873 0.6295 0.8135 0.2023 0.2921 -0.1642 132 LYS C CA 3838 C C . LYS C 131 ? 1.1329 0.6890 0.7935 0.1911 0.3203 -0.1705 132 LYS C C 3839 O O . LYS C 131 ? 1.2056 0.7370 0.8125 0.2015 0.3248 -0.2017 132 LYS C O 3840 C CB . LYS C 131 ? 1.0980 0.5809 0.8018 0.1884 0.2483 -0.1541 132 LYS C CB 3841 C CG . LYS C 131 ? 1.0948 0.5451 0.8414 0.1996 0.2193 -0.1556 132 LYS C CG 3842 C CD . LYS C 131 ? 1.1529 0.5336 0.8613 0.1888 0.1815 -0.1627 132 LYS C CD 3843 C CE . LYS C 131 ? 1.1627 0.5020 0.9070 0.1922 0.1500 -0.1559 132 LYS C CE 3844 N NZ . LYS C 131 ? 1.1960 0.5197 0.9656 0.2326 0.1555 -0.1846 132 LYS C NZ 3845 N N . SER C 132 ? 1.0999 0.6904 0.7597 0.1688 0.3374 -0.1409 133 SER C N 3846 C CA . SER C 132 ? 1.1518 0.7500 0.7427 0.1521 0.3617 -0.1372 133 SER C CA 3847 C C . SER C 132 ? 1.1215 0.7719 0.7373 0.1352 0.3951 -0.1154 133 SER C C 3848 O O . SER C 132 ? 1.0902 0.7343 0.7076 0.1140 0.3844 -0.0803 133 SER C O 3849 C CB . SER C 132 ? 1.1724 0.7252 0.7053 0.1329 0.3291 -0.1153 133 SER C CB 3850 O OG . SER C 132 ? 1.2560 0.7978 0.7025 0.1233 0.3431 -0.1219 133 SER C OG 3851 N N . SER C 133 ? 1.1370 0.8396 0.7735 0.1446 0.4349 -0.1389 134 SER C N 3852 C CA . SER C 133 ? 1.1066 0.8691 0.7837 0.1268 0.4678 -0.1230 134 SER C CA 3853 C C . SER C 133 ? 1.1355 0.8902 0.7558 0.0879 0.4808 -0.0876 134 SER C C 3854 O O . SER C 133 ? 1.1107 0.9000 0.7647 0.0662 0.4992 -0.0676 134 SER C O 3855 C CB . SER C 133 ? 1.1300 0.9614 0.8406 0.1446 0.5095 -0.1606 134 SER C CB 3856 O OG . SER C 133 ? 1.0921 0.9382 0.8812 0.1795 0.4942 -0.1828 134 SER C OG 3857 N N . ASP C 134 ? 1.1955 0.9006 0.7284 0.0780 0.4676 -0.0792 135 ASP C N 3858 C CA . ASP C 134 ? 1.2379 0.9187 0.7064 0.0434 0.4700 -0.0411 135 ASP C CA 3859 C C . ASP C 134 ? 1.1831 0.8304 0.6824 0.0344 0.4350 -0.0046 135 ASP C C 3860 O O . ASP C 134 ? 1.1994 0.8382 0.6843 0.0075 0.4417 0.0268 135 ASP C O 3861 C CB . ASP C 134 ? 1.3278 0.9648 0.6903 0.0383 0.4601 -0.0429 135 ASP C CB 3862 C CG . ASP C 134 ? 1.3150 0.9064 0.6713 0.0615 0.4145 -0.0568 135 ASP C CG 3863 O OD1 . ASP C 134 ? 1.3453 0.8898 0.6486 0.0523 0.3805 -0.0343 135 ASP C OD1 3864 O OD2 . ASP C 134 ? 1.2823 0.8840 0.6872 0.0878 0.4102 -0.0895 135 ASP C OD2 3865 N N . LYS C 135 ? 1.1252 0.7529 0.6655 0.0559 0.3983 -0.0104 136 LYS C N 3866 C CA . LYS C 135 ? 1.0695 0.6769 0.6473 0.0528 0.3668 0.0154 136 LYS C CA 3867 C C . LYS C 135 ? 0.9985 0.6472 0.6604 0.0526 0.3795 0.0157 136 LYS C C 3868 O O . LYS C 135 ? 0.9657 0.6518 0.6768 0.0681 0.3919 -0.0081 136 LYS C O 3869 C CB . LYS C 135 ? 1.0434 0.6245 0.6293 0.0704 0.3257 0.0083 136 LYS C CB 3870 N N . SER C 136 ? 0.9820 0.6203 0.6586 0.0364 0.3726 0.0415 137 SER C N 3871 C CA . SER C 136 ? 0.9247 0.5997 0.6739 0.0313 0.3825 0.0422 137 SER C CA 3872 C C . SER C 136 ? 0.8956 0.5444 0.6669 0.0271 0.3553 0.0614 137 SER C C 3873 O O . SER C 136 ? 0.9276 0.5296 0.6568 0.0257 0.3325 0.0784 137 SER C O 3874 C CB . SER C 136 ? 0.9568 0.6663 0.7052 0.0064 0.4227 0.0452 137 SER C CB 3875 O OG . SER C 136 ? 1.0303 0.6985 0.7088 -0.0206 0.4275 0.0720 137 SER C OG 3876 N N . VAL C 137 ? 0.8395 0.5207 0.6775 0.0278 0.3560 0.0558 138 VAL C N 3877 C CA . VAL C 137 ? 0.8180 0.4820 0.6811 0.0233 0.3360 0.0672 138 VAL C CA 3878 C C . VAL C 137 ? 0.8140 0.5027 0.7144 0.0013 0.3549 0.0695 138 VAL C C 3879 O O . VAL C 137 ? 0.8042 0.5413 0.7318 -0.0052 0.3806 0.0588 138 VAL C O 3880 C CB . VAL C 137 ? 0.7560 0.4340 0.6609 0.0440 0.3100 0.0562 138 VAL C CB 3881 C CG1 . VAL C 137 ? 0.7640 0.4176 0.6361 0.0589 0.2868 0.0561 138 VAL C CG1 3882 C CG2 . VAL C 137 ? 0.7076 0.4343 0.6626 0.0515 0.3189 0.0397 138 VAL C CG2 3883 N N . CYS C 138 ? 0.8275 0.4840 0.7315 -0.0089 0.3403 0.0809 139 CYS C N 3884 C CA . CYS C 138 ? 0.8281 0.5014 0.7694 -0.0323 0.3512 0.0810 139 CYS C CA 3885 C C . CYS C 138 ? 0.7746 0.4623 0.7656 -0.0194 0.3300 0.0674 139 CYS C C 3886 O O . CYS C 138 ? 0.7756 0.4294 0.7575 -0.0043 0.3052 0.0676 139 CYS C O 3887 C CB . CYS C 138 ? 0.9043 0.5181 0.8025 -0.0607 0.3518 0.1043 139 CYS C CB 3888 S SG . CYS C 138 ? 1.0014 0.5910 0.8215 -0.0812 0.3749 0.1259 139 CYS C SG 3889 N N . LEU C 139 ? 0.7332 0.4767 0.7768 -0.0248 0.3396 0.0541 140 LEU C N 3890 C CA . LEU C 139 ? 0.6861 0.4513 0.7712 -0.0153 0.3212 0.0404 140 LEU C CA 3891 C C . LEU C 139 ? 0.7003 0.4668 0.8108 -0.0407 0.3219 0.0370 140 LEU C C 3892 O O . LEU C 139 ? 0.7007 0.5093 0.8416 -0.0608 0.3388 0.0344 140 LEU C O 3893 C CB . LEU C 139 ? 0.6347 0.4576 0.7564 0.0007 0.3221 0.0283 140 LEU C CB 3894 C CG . LEU C 139 ? 0.5916 0.4423 0.7469 0.0095 0.3026 0.0174 140 LEU C CG 3895 C CD1 . LEU C 139 ? 0.5766 0.4060 0.7109 0.0272 0.2835 0.0174 140 LEU C CD1 3896 C CD2 . LEU C 139 ? 0.5619 0.4651 0.7537 0.0183 0.3046 0.0107 140 LEU C CD2 3897 N N . PHE C 140 ? 0.7183 0.4407 0.8187 -0.0392 0.3024 0.0343 141 PHE C N 3898 C CA . PHE C 140 ? 0.7350 0.4516 0.8585 -0.0603 0.2965 0.0246 141 PHE C CA 3899 C C . PHE C 140 ? 0.6805 0.4494 0.8421 -0.0468 0.2845 0.0037 141 PHE C C 3900 O O . PHE C 140 ? 0.6575 0.4262 0.8125 -0.0221 0.2705 -0.0040 141 PHE C O 3901 C CB . PHE C 140 ? 0.7942 0.4300 0.8853 -0.0601 0.2785 0.0274 141 PHE C CB 3902 C CG . PHE C 140 ? 0.8284 0.4414 0.9361 -0.0832 0.2697 0.0149 141 PHE C CG 3903 C CD1 . PHE C 140 ? 0.8307 0.4794 0.9674 -0.1193 0.2837 0.0144 141 PHE C CD1 3904 C CD2 . PHE C 140 ? 0.8674 0.4234 0.9633 -0.0684 0.2458 0.0008 141 PHE C CD2 3905 C CE1 . PHE C 140 ? 0.8701 0.4941 1.0204 -0.1447 0.2725 0.0013 141 PHE C CE1 3906 C CE2 . PHE C 140 ? 0.9068 0.4318 1.0135 -0.0894 0.2351 -0.0148 141 PHE C CE2 3907 C CZ . PHE C 140 ? 0.9108 0.4673 1.0426 -0.1300 0.2477 -0.0137 141 PHE C CZ 3908 N N . THR C 141 ? 0.6642 0.4825 0.8646 -0.0651 0.2896 -0.0042 142 THR C N 3909 C CA . THR C 141 ? 0.6192 0.4908 0.8497 -0.0540 0.2766 -0.0196 142 THR C CA 3910 C C . THR C 141 ? 0.6270 0.5286 0.8913 -0.0786 0.2699 -0.0340 142 THR C C 3911 O O . THR C 141 ? 0.6610 0.5563 0.9372 -0.1084 0.2795 -0.0313 142 THR C O 3912 C CB . THR C 141 ? 0.5771 0.4981 0.8234 -0.0361 0.2819 -0.0134 142 THR C CB 3913 O OG1 . THR C 141 ? 0.5475 0.5078 0.8117 -0.0262 0.2642 -0.0225 142 THR C OG1 3914 C CG2 . THR C 141 ? 0.5791 0.5399 0.8559 -0.0504 0.3009 -0.0097 142 THR C CG2 3915 N N . ASP C 142 ? 0.6015 0.5365 0.8775 -0.0694 0.2526 -0.0486 143 ASP C N 3916 C CA . ASP C 142 ? 0.6064 0.5790 0.9120 -0.0897 0.2403 -0.0648 143 ASP C CA 3917 C C . ASP C 142 ? 0.6580 0.5843 0.9551 -0.1142 0.2337 -0.0808 143 ASP C C 3918 O O . ASP C 142 ? 0.6759 0.6261 1.0002 -0.1420 0.2274 -0.0915 143 ASP C O 3919 C CB . ASP C 142 ? 0.5885 0.6250 0.9412 -0.1018 0.2473 -0.0586 143 ASP C CB 3920 C CG . ASP C 142 ? 0.5504 0.6301 0.9147 -0.0730 0.2438 -0.0494 143 ASP C CG 3921 O OD1 . ASP C 142 ? 0.5359 0.5922 0.8679 -0.0501 0.2385 -0.0439 143 ASP C OD1 3922 O OD2 . ASP C 142 ? 0.5410 0.6782 0.9492 -0.0735 0.2447 -0.0485 143 ASP C OD2 3923 N N . PHE C 143 ? 0.6877 0.5465 0.9487 -0.1025 0.2317 -0.0840 144 PHE C N 3924 C CA . PHE C 143 ? 0.7486 0.5469 0.9962 -0.1181 0.2203 -0.1025 144 PHE C CA 3925 C C . PHE C 143 ? 0.7529 0.5598 0.9916 -0.1029 0.2023 -0.1351 144 PHE C C 3926 O O . PHE C 143 ? 0.7089 0.5611 0.9434 -0.0796 0.2011 -0.1380 144 PHE C O 3927 C CB . PHE C 143 ? 0.7956 0.5087 1.0093 -0.1111 0.2234 -0.0894 144 PHE C CB 3928 C CG . PHE C 143 ? 0.7656 0.4708 0.9571 -0.0709 0.2229 -0.0851 144 PHE C CG 3929 C CD1 . PHE C 143 ? 0.7784 0.4614 0.9569 -0.0442 0.2082 -0.1099 144 PHE C CD1 3930 C CD2 . PHE C 143 ? 0.7305 0.4542 0.9160 -0.0604 0.2371 -0.0595 144 PHE C CD2 3931 C CE1 . PHE C 143 ? 0.7551 0.4427 0.9210 -0.0102 0.2077 -0.1071 144 PHE C CE1 3932 C CE2 . PHE C 143 ? 0.7108 0.4294 0.8779 -0.0279 0.2340 -0.0562 144 PHE C CE2 3933 C CZ . PHE C 143 ? 0.7193 0.4235 0.8795 -0.0042 0.2193 -0.0788 144 PHE C CZ 3934 N N . ASP C 144 ? 0.8137 0.5757 1.0464 -0.1187 0.1889 -0.1601 145 ASP C N 3935 C CA . ASP C 144 ? 0.8331 0.6012 1.0534 -0.1060 0.1733 -0.1986 145 ASP C CA 3936 C C . ASP C 144 ? 0.8628 0.5771 1.0568 -0.0704 0.1700 -0.2149 145 ASP C C 3937 O O . ASP C 144 ? 0.8374 0.5436 1.0244 -0.0474 0.1791 -0.1937 145 ASP C O 3938 C CB . ASP C 144 ? 0.8922 0.6391 1.1198 -0.1402 0.1577 -0.2242 145 ASP C CB 3939 N N . SER C 145 ? 0.9222 0.6030 1.1039 -0.0641 0.1554 -0.2556 146 SER C N 3940 C CA . SER C 145 ? 0.9625 0.5935 1.1272 -0.0255 0.1493 -0.2791 146 SER C CA 3941 C C . SER C 145 ? 1.0275 0.5524 1.1821 -0.0256 0.1411 -0.2620 146 SER C C 3942 O O . SER C 145 ? 1.1126 0.5564 1.2562 -0.0299 0.1232 -0.2857 146 SER C O 3943 C CB . SER C 145 ? 1.0126 0.6444 1.1672 -0.0155 0.1367 -0.3345 146 SER C CB 3944 O OG . SER C 145 ? 1.0800 0.6587 1.2328 -0.0492 0.1211 -0.3509 146 SER C OG 3945 N N . GLN C 146 ? 0.9954 0.5168 1.1483 -0.0224 0.1523 -0.2200 147 GLN C N 3946 C CA . GLN C 146 ? 1.0574 0.4830 1.1911 -0.0249 0.1451 -0.1943 147 GLN C CA 3947 C C . GLN C 146 ? 1.0420 0.4613 1.1663 0.0192 0.1436 -0.1843 147 GLN C C 3948 O O . GLN C 146 ? 0.9648 0.4594 1.0987 0.0319 0.1582 -0.1720 147 GLN C O 3949 C CB . GLN C 146 ? 1.0437 0.4732 1.1787 -0.0685 0.1607 -0.1515 147 GLN C CB 3950 N N . THR C 147 ? 1.1228 0.4498 1.2291 0.0423 0.1224 -0.1900 148 THR C N 3951 C CA . THR C 147 ? 1.1197 0.4380 1.2203 0.0857 0.1147 -0.1812 148 THR C CA 3952 C C . THR C 147 ? 1.1491 0.4083 1.2194 0.0692 0.1141 -0.1299 148 THR C C 3953 O O . THR C 147 ? 1.2403 0.3993 1.2831 0.0489 0.0997 -0.1136 148 THR C O 3954 C CB . THR C 147 ? 1.1962 0.4546 1.2984 0.1319 0.0870 -0.2204 148 THR C CB 3955 O OG1 . THR C 147 ? 1.1958 0.4913 1.3160 0.1375 0.0880 -0.2720 148 THR C OG1 3956 C CG2 . THR C 147 ? 1.1657 0.4627 1.2807 0.1817 0.0818 -0.2228 148 THR C CG2 3957 N N . ASN C 148 ? 1.0803 0.3996 1.1510 0.0745 0.1296 -0.1047 149 ASN C N 3958 C CA . ASN C 148 ? 1.1085 0.3818 1.1442 0.0635 0.1300 -0.0597 149 ASN C CA 3959 C C . ASN C 148 ? 1.1300 0.3792 1.1542 0.1089 0.1083 -0.0555 149 ASN C C 3960 O O . ASN C 148 ? 1.0661 0.3890 1.1172 0.1403 0.1099 -0.0740 149 ASN C O 3961 C CB . ASN C 148 ? 1.0364 0.3810 1.0741 0.0343 0.1603 -0.0339 149 ASN C CB 3962 C CG . ASN C 148 ? 0.9450 0.3840 1.0072 0.0587 0.1704 -0.0443 149 ASN C CG 3963 O OD1 . ASN C 148 ? 0.9259 0.3765 0.9735 0.0709 0.1719 -0.0248 149 ASN C OD1 3964 N ND2 . ASN C 148 ? 0.8971 0.4011 0.9919 0.0624 0.1759 -0.0740 149 ASN C ND2 3965 N N . VAL C 149 ? 1.2257 0.3723 1.2092 0.1093 0.0862 -0.0294 150 VAL C N 3966 C CA . VAL C 149 ? 1.2674 0.3773 1.2384 0.1544 0.0564 -0.0244 150 VAL C CA 3967 C C . VAL C 149 ? 1.2148 0.3768 1.1712 0.1565 0.0664 0.0033 150 VAL C C 3968 O O . VAL C 149 ? 1.1523 0.3704 1.1056 0.1242 0.0971 0.0185 150 VAL C O 3969 C CB . VAL C 149 ? 1.4041 0.3731 1.3278 0.1531 0.0229 -0.0012 150 VAL C CB 3970 N N . SER C 150 ? 1.2463 0.3900 1.1962 0.1968 0.0375 0.0069 151 SER C N 3971 C CA . SER C 150 ? 1.2130 0.3956 1.1442 0.2003 0.0395 0.0311 151 SER C CA 3972 C C . SER C 150 ? 1.3170 0.3993 1.1817 0.1967 0.0132 0.0733 151 SER C C 3973 O O . SER C 150 ? 1.3824 0.3911 1.1995 0.1579 0.0199 0.1026 151 SER C O 3974 C CB . SER C 150 ? 1.1578 0.4210 1.1377 0.2457 0.0268 0.0015 151 SER C CB 3975 O OG . SER C 150 ? 1.1075 0.4273 1.0773 0.2389 0.0357 0.0189 151 SER C OG 3976 N N . ASP C 154 ? 1.7779 0.5147 1.2217 0.0797 -0.0355 0.3100 155 ASP C N 3977 C CA . ASP C 154 ? 1.8056 0.5479 1.2014 0.0990 -0.0599 0.3275 155 ASP C CA 3978 C C . ASP C 154 ? 1.6978 0.5357 1.1691 0.1504 -0.0730 0.2863 155 ASP C C 3979 O O . ASP C 154 ? 1.5839 0.5051 1.1349 0.1586 -0.0467 0.2471 155 ASP C O 3980 C CB . ASP C 154 ? 1.8112 0.5826 1.1386 0.0501 -0.0193 0.3518 155 ASP C CB 3981 N N . SER C 155 ? 1.7418 0.5683 1.1848 0.1813 -0.1152 0.2975 156 SER C N 3982 C CA . SER C 155 ? 1.6561 0.5732 1.1679 0.2264 -0.1331 0.2622 156 SER C CA 3983 C C . SER C 155 ? 1.5480 0.5685 1.0751 0.2053 -0.0919 0.2448 156 SER C C 3984 O O . SER C 155 ? 1.4531 0.5629 1.0528 0.2288 -0.0905 0.2100 156 SER C O 3985 C CB . SER C 155 ? 1.7475 0.6214 1.2234 0.2631 -0.1953 0.2813 156 SER C CB 3986 O OG . SER C 155 ? 1.6701 0.6405 1.2185 0.3030 -0.2133 0.2466 156 SER C OG 3987 N N . ASP C 156 ? 1.5713 0.5780 1.0288 0.1602 -0.0588 0.2683 157 ASP C N 3988 C CA . ASP C 156 ? 1.4913 0.5795 0.9514 0.1416 -0.0225 0.2525 157 ASP C CA 3989 C C . ASP C 156 ? 1.4048 0.5439 0.9095 0.1146 0.0322 0.2331 157 ASP C C 3990 O O . ASP C 156 ? 1.3591 0.5491 0.8559 0.0948 0.0661 0.2240 157 ASP C O 3991 C CB . ASP C 156 ? 1.5759 0.6286 0.9316 0.1152 -0.0213 0.2832 157 ASP C CB 3992 N N . VAL C 157 ? 1.3881 0.5120 0.9400 0.1164 0.0373 0.2246 158 VAL C N 3993 C CA . VAL C 157 ? 1.3084 0.4827 0.9091 0.0939 0.0819 0.2051 158 VAL C CA 3994 C C . VAL C 157 ? 1.2124 0.4512 0.9036 0.1233 0.0777 0.1672 158 VAL C C 3995 O O . VAL C 157 ? 1.2316 0.4456 0.9535 0.1509 0.0494 0.1571 158 VAL C O 3996 C CB . VAL C 157 ? 1.3707 0.4822 0.9488 0.0607 0.0968 0.2246 158 VAL C CB 3997 C CG1 . VAL C 157 ? 1.2882 0.4623 0.9215 0.0379 0.1394 0.2029 158 VAL C CG1 3998 C CG2 . VAL C 157 ? 1.4753 0.5277 0.9579 0.0246 0.1044 0.2653 158 VAL C CG2 3999 N N . TYR C 158 ? 1.1181 0.4374 0.8481 0.1172 0.1055 0.1459 159 TYR C N 4000 C CA . TYR C 158 ? 1.0301 0.4183 0.8360 0.1380 0.1048 0.1133 159 TYR C CA 4001 C C . TYR C 158 ? 0.9771 0.3953 0.8236 0.1197 0.1356 0.0987 159 TYR C C 4002 O O . TYR C 158 ? 0.9514 0.3914 0.7901 0.0940 0.1660 0.1027 159 TYR C O 4003 C CB . TYR C 158 ? 0.9740 0.4263 0.7928 0.1442 0.1051 0.1021 159 TYR C CB 4004 C CG . TYR C 158 ? 1.0262 0.4571 0.8052 0.1590 0.0728 0.1145 159 TYR C CG 4005 C CD1 . TYR C 158 ? 1.0507 0.4845 0.8562 0.1922 0.0345 0.1071 159 TYR C CD1 4006 C CD2 . TYR C 158 ? 1.0627 0.4753 0.7786 0.1416 0.0793 0.1306 159 TYR C CD2 4007 C CE1 . TYR C 158 ? 1.1031 0.5218 0.8750 0.2067 -0.0003 0.1186 159 TYR C CE1 4008 C CE2 . TYR C 158 ? 1.1197 0.5126 0.7935 0.1534 0.0461 0.1416 159 TYR C CE2 4009 C CZ . TYR C 158 ? 1.1375 0.5336 0.8405 0.1855 0.0045 0.1371 159 TYR C CZ 4010 O OH . TYR C 158 ? 1.1940 0.5755 0.8587 0.1981 -0.0330 0.1479 159 TYR C OH 4011 N N . ILE C 159 ? 0.9652 0.3865 0.8554 0.1353 0.1256 0.0791 160 ILE C N 4012 C CA . ILE C 159 ? 0.9233 0.3721 0.8515 0.1199 0.1478 0.0622 160 ILE C CA 4013 C C . ILE C 159 ? 0.8637 0.3768 0.8494 0.1427 0.1424 0.0297 160 ILE C C 4014 O O . ILE C 159 ? 0.8874 0.3902 0.8911 0.1719 0.1188 0.0142 160 ILE C O 4015 C CB . ILE C 159 ? 0.9935 0.3686 0.9064 0.1064 0.1436 0.0693 160 ILE C CB 4016 C CG1 . ILE C 159 ? 1.0596 0.3762 0.9114 0.0746 0.1535 0.1048 160 ILE C CG1 4017 C CG2 . ILE C 159 ? 0.9517 0.3613 0.9065 0.0903 0.1624 0.0476 160 ILE C CG2 4018 C CD1 . ILE C 159 ? 1.1500 0.3753 0.9741 0.0584 0.1411 0.1198 160 ILE C CD1 4019 N N . THR C 160 ? 0.7941 0.3738 0.8070 0.1296 0.1639 0.0192 161 THR C N 4020 C CA . THR C 160 ? 0.7424 0.3897 0.8013 0.1420 0.1638 -0.0079 161 THR C CA 4021 C C . THR C 160 ? 0.7545 0.3954 0.8355 0.1425 0.1654 -0.0298 161 THR C C 4022 O O . THR C 160 ? 0.7866 0.3807 0.8530 0.1243 0.1714 -0.0223 161 THR C O 4023 C CB . THR C 160 ? 0.6783 0.3871 0.7496 0.1243 0.1823 -0.0068 161 THR C CB 4024 O OG1 . THR C 160 ? 0.6710 0.3742 0.7405 0.1011 0.2012 -0.0013 161 THR C OG1 4025 C CG2 . THR C 160 ? 0.6733 0.3830 0.7209 0.1228 0.1796 0.0099 161 THR C CG2 4026 N N . ASP C 161 ? 0.7346 0.4266 0.8498 0.1608 0.1608 -0.0587 162 ASP C N 4027 C CA . ASP C 161 ? 0.7488 0.4443 0.8829 0.1618 0.1632 -0.0866 162 ASP C CA 4028 C C . ASP C 161 ? 0.7029 0.4419 0.8432 0.1319 0.1839 -0.0864 162 ASP C C 4029 O O . ASP C 161 ? 0.6576 0.4353 0.7961 0.1182 0.1945 -0.0699 162 ASP C O 4030 C CB . ASP C 161 ? 0.7481 0.4928 0.9147 0.1933 0.1540 -0.1219 162 ASP C CB 4031 C CG . ASP C 161 ? 0.8085 0.5165 0.9841 0.2096 0.1447 -0.1545 162 ASP C CG 4032 O OD1 . ASP C 161 ? 0.8390 0.4985 0.9989 0.1875 0.1485 -0.1513 162 ASP C OD1 4033 O OD2 . ASP C 161 ? 0.8387 0.5682 1.0395 0.2450 0.1327 -0.1860 162 ASP C OD2 4034 N N . LYS C 162 ? 0.7223 0.4510 0.8693 0.1229 0.1859 -0.1054 163 LYS C N 4035 C CA . LYS C 162 ? 0.6894 0.4582 0.8428 0.0956 0.1998 -0.1052 163 LYS C CA 4036 C C . LYS C 162 ? 0.6403 0.4908 0.8057 0.0955 0.2065 -0.1126 163 LYS C C 4037 O O . LYS C 162 ? 0.6374 0.5240 0.8128 0.1143 0.2035 -0.1310 163 LYS C O 4038 C CB . LYS C 162 ? 0.7258 0.4689 0.8829 0.0843 0.1963 -0.1274 163 LYS C CB 4039 C CG . LYS C 162 ? 0.7512 0.5112 0.9187 0.1054 0.1884 -0.1690 163 LYS C CG 4040 C CD . LYS C 162 ? 0.7952 0.5250 0.9615 0.0891 0.1835 -0.1918 163 LYS C CD 4041 C CE . LYS C 162 ? 0.8501 0.5614 1.0204 0.1172 0.1714 -0.2369 163 LYS C CE 4042 N NZ . LYS C 162 ? 0.9173 0.5693 1.0804 0.1002 0.1609 -0.2572 163 LYS C NZ 4043 N N . CYS C 163 ? 0.6087 0.4891 0.7736 0.0734 0.2148 -0.0974 164 CYS C N 4044 C CA . CYS C 163 ? 0.5747 0.5187 0.7414 0.0670 0.2183 -0.0943 164 CYS C CA 4045 C C . CYS C 163 ? 0.5587 0.5241 0.7261 0.0453 0.2198 -0.0877 164 CYS C C 4046 O O . CYS C 163 ? 0.5592 0.5001 0.7309 0.0358 0.2217 -0.0732 164 CYS C O 4047 C CB . CYS C 163 ? 0.5553 0.5001 0.7157 0.0698 0.2187 -0.0697 164 CYS C CB 4048 S SG . CYS C 163 ? 0.5488 0.5559 0.7058 0.0558 0.2194 -0.0593 164 CYS C SG 4049 N N . VAL C 164 ? 0.5494 0.5659 0.7128 0.0371 0.2186 -0.0985 165 VAL C N 4050 C CA . VAL C 164 ? 0.5433 0.5827 0.7050 0.0184 0.2136 -0.0940 165 VAL C CA 4051 C C . VAL C 164 ? 0.5256 0.5968 0.6760 0.0081 0.2091 -0.0686 165 VAL C C 4052 O O . VAL C 164 ? 0.5253 0.6292 0.6610 0.0045 0.2106 -0.0673 165 VAL C O 4053 C CB . VAL C 164 ? 0.5701 0.6327 0.7259 0.0129 0.2105 -0.1266 165 VAL C CB 4054 C CG1 . VAL C 164 ? 0.5759 0.6861 0.7176 0.0183 0.2163 -0.1451 165 VAL C CG1 4055 C CG2 . VAL C 164 ? 0.5708 0.6561 0.7244 -0.0069 0.2002 -0.1216 165 VAL C CG2 4056 N N . LEU C 165 ? 0.5158 0.5772 0.6747 0.0029 0.2026 -0.0487 166 LEU C N 4057 C CA . LEU C 165 ? 0.5124 0.5897 0.6604 -0.0041 0.1915 -0.0239 166 LEU C CA 4058 C C . LEU C 165 ? 0.5268 0.6328 0.6721 -0.0164 0.1761 -0.0235 166 LEU C C 4059 O O . LEU C 165 ? 0.5306 0.6395 0.6950 -0.0186 0.1740 -0.0377 166 LEU C O 4060 C CB . LEU C 165 ? 0.5014 0.5463 0.6612 0.0063 0.1914 -0.0035 166 LEU C CB 4061 C CG . LEU C 165 ? 0.4967 0.5269 0.6850 0.0126 0.1959 -0.0054 166 LEU C CG 4062 C CD1 . LEU C 165 ? 0.5032 0.5586 0.7092 0.0100 0.1803 0.0014 166 LEU C CD1 4063 C CD2 . LEU C 165 ? 0.4919 0.4890 0.6812 0.0253 0.2053 0.0050 166 LEU C CD2 4064 N N . ASP C 166 ? 0.5412 0.6666 0.6602 -0.0273 0.1630 -0.0053 167 ASP C N 4065 C CA . ASP C 166 ? 0.5641 0.7154 0.6715 -0.0392 0.1423 0.0004 167 ASP C CA 4066 C C . ASP C 166 ? 0.5760 0.7099 0.6834 -0.0347 0.1208 0.0332 167 ASP C C 4067 O O . ASP C 166 ? 0.5896 0.7059 0.6727 -0.0391 0.1166 0.0556 167 ASP C O 4068 C CB . ASP C 166 ? 0.5931 0.7824 0.6574 -0.0590 0.1424 -0.0068 167 ASP C CB 4069 C CG . ASP C 166 ? 0.6302 0.8463 0.6709 -0.0739 0.1180 -0.0005 167 ASP C CG 4070 O OD1 . ASP C 166 ? 0.6280 0.8405 0.6960 -0.0671 0.1009 0.0009 167 ASP C OD1 4071 O OD2 . ASP C 166 ? 0.6654 0.9121 0.6593 -0.0941 0.1157 0.0023 167 ASP C OD2 4072 N N . MET C 167 ? 0.5762 0.7147 0.7143 -0.0254 0.1056 0.0341 168 MET C N 4073 C CA . MET C 167 ? 0.5976 0.7228 0.7411 -0.0147 0.0789 0.0605 168 MET C CA 4074 C C . MET C 167 ? 0.6443 0.7930 0.7527 -0.0308 0.0494 0.0745 168 MET C C 4075 O O . MET C 167 ? 0.6539 0.8305 0.7821 -0.0288 0.0295 0.0689 168 MET C O 4076 C CB . MET C 167 ? 0.5784 0.7098 0.7798 0.0063 0.0772 0.0519 168 MET C CB 4077 C CG . MET C 167 ? 0.5419 0.6536 0.7700 0.0176 0.1079 0.0384 168 MET C CG 4078 S SD . MET C 167 ? 0.5434 0.6627 0.8304 0.0446 0.1059 0.0365 168 MET C SD 4079 C CE . MET C 167 ? 0.5101 0.6390 0.8251 0.0359 0.1427 0.0125 168 MET C CE 4080 N N . ARG C 168 ? 0.6781 0.8182 0.7323 -0.0499 0.0463 0.0936 169 ARG C N 4081 C CA . ARG C 168 ? 0.7339 0.8983 0.7353 -0.0744 0.0249 0.1075 169 ARG C CA 4082 C C . ARG C 168 ? 0.7735 0.9402 0.7783 -0.0668 -0.0175 0.1259 169 ARG C C 4083 O O . ARG C 168 ? 0.7962 1.0012 0.7848 -0.0794 -0.0317 0.1163 169 ARG C O 4084 C CB . ARG C 168 ? 0.7716 0.9195 0.7165 -0.0984 0.0270 0.1350 169 ARG C CB 4085 C CG . ARG C 168 ? 0.7465 0.9110 0.6907 -0.1073 0.0662 0.1133 169 ARG C CG 4086 C CD . ARG C 168 ? 0.8010 0.9629 0.6963 -0.1368 0.0699 0.1394 169 ARG C CD 4087 N NE . ARG C 168 ? 0.7845 0.9837 0.6856 -0.1443 0.1061 0.1126 169 ARG C NE 4088 C CZ . ARG C 168 ? 0.8033 1.0627 0.6819 -0.1606 0.1248 0.0878 169 ARG C CZ 4089 N NH1 . ARG C 168 ? 0.8441 1.1317 0.6850 -0.1755 0.1115 0.0872 169 ARG C NH1 4090 N NH2 . ARG C 168 ? 0.7800 1.0741 0.6743 -0.1598 0.1553 0.0611 169 ARG C NH2 4091 N N . SER C 169 ? 0.7868 0.9133 0.8138 -0.0438 -0.0398 0.1493 170 SER C N 4092 C CA . SER C 169 ? 0.8334 0.9587 0.8683 -0.0294 -0.0864 0.1690 170 SER C CA 4093 C C . SER C 169 ? 0.7999 0.9732 0.9029 -0.0101 -0.0916 0.1407 170 SER C C 4094 O O . SER C 169 ? 0.8366 1.0313 0.9479 -0.0030 -0.1312 0.1499 170 SER C O 4095 C CB . SER C 169 ? 0.8687 0.9304 0.9075 -0.0061 -0.1113 0.1993 170 SER C CB 4096 O OG . SER C 169 ? 0.8188 0.8623 0.9106 0.0200 -0.0847 0.1801 170 SER C OG 4097 N N . MET C 170 ? 0.7366 0.9271 0.8869 -0.0045 -0.0537 0.1081 171 MET C N 4098 C CA . MET C 170 ? 0.7065 0.9455 0.9205 0.0031 -0.0519 0.0800 171 MET C CA 4099 C C . MET C 170 ? 0.6991 0.9737 0.8955 -0.0257 -0.0390 0.0529 171 MET C C 4100 O O . MET C 170 ? 0.6925 1.0089 0.9301 -0.0293 -0.0467 0.0320 171 MET C O 4101 C CB . MET C 170 ? 0.6560 0.8884 0.9291 0.0229 -0.0194 0.0628 171 MET C CB 4102 C CG . MET C 170 ? 0.6696 0.8978 0.9926 0.0588 -0.0366 0.0720 171 MET C CG 4103 S SD . MET C 170 ? 0.6327 0.8748 1.0232 0.0748 0.0067 0.0451 171 MET C SD 4104 C CE . MET C 170 ? 0.6552 0.9118 1.1068 0.1211 -0.0207 0.0492 171 MET C CE 4105 N N . ASP C 171 ? 0.7058 0.9655 0.8435 -0.0463 -0.0200 0.0508 172 ASP C N 4106 C CA . ASP C 171 ? 0.7048 0.9895 0.8205 -0.0692 -0.0035 0.0186 172 ASP C CA 4107 C C . ASP C 171 ? 0.6579 0.9403 0.8240 -0.0656 0.0262 -0.0136 172 ASP C C 4108 O O . ASP C 171 ? 0.6649 0.9677 0.8376 -0.0802 0.0275 -0.0431 172 ASP C O 4109 C CB . ASP C 171 ? 0.7533 1.0784 0.8453 -0.0858 -0.0376 0.0137 172 ASP C CB 4110 C CG . ASP C 171 ? 0.7809 1.1244 0.8210 -0.1108 -0.0237 -0.0157 172 ASP C CG 4111 O OD1 . ASP C 171 ? 0.7676 1.0957 0.7865 -0.1134 0.0095 -0.0276 172 ASP C OD1 4112 O OD2 . ASP C 171 ? 0.8218 1.1986 0.8438 -0.1261 -0.0477 -0.0298 172 ASP C OD2 4113 N N . PHE C 172 ? 0.6186 0.8703 0.8140 -0.0485 0.0485 -0.0071 173 PHE C N 4114 C CA . PHE C 172 ? 0.5849 0.8258 0.8206 -0.0467 0.0758 -0.0292 173 PHE C CA 4115 C C . PHE C 172 ? 0.5673 0.7705 0.7784 -0.0441 0.1056 -0.0349 173 PHE C C 4116 O O . PHE C 172 ? 0.5589 0.7404 0.7517 -0.0340 0.1108 -0.0151 173 PHE C O 4117 C CB . PHE C 172 ? 0.5634 0.8082 0.8566 -0.0289 0.0772 -0.0196 173 PHE C CB 4118 C CG . PHE C 172 ? 0.5422 0.7765 0.8704 -0.0329 0.1063 -0.0366 173 PHE C CG 4119 C CD1 . PHE C 172 ? 0.5504 0.8105 0.9101 -0.0529 0.1058 -0.0577 173 PHE C CD1 4120 C CD2 . PHE C 172 ? 0.5246 0.7205 0.8497 -0.0206 0.1322 -0.0299 173 PHE C CD2 4121 C CE1 . PHE C 172 ? 0.5423 0.7859 0.9275 -0.0632 0.1318 -0.0682 173 PHE C CE1 4122 C CE2 . PHE C 172 ? 0.5158 0.6973 0.8631 -0.0277 0.1574 -0.0407 173 PHE C CE2 4123 C CZ . PHE C 172 ? 0.5274 0.7308 0.9036 -0.0503 0.1578 -0.0581 173 PHE C CZ 4124 N N . LYS C 173 ? 0.5672 0.7608 0.7794 -0.0530 0.1216 -0.0626 174 LYS C N 4125 C CA . LYS C 173 ? 0.5563 0.7154 0.7529 -0.0461 0.1458 -0.0715 174 LYS C CA 4126 C C . LYS C 173 ? 0.5474 0.6740 0.7754 -0.0446 0.1620 -0.0809 174 LYS C C 4127 O O . LYS C 173 ? 0.5595 0.6928 0.8126 -0.0585 0.1576 -0.0939 174 LYS C O 4128 C CB . LYS C 173 ? 0.5819 0.7511 0.7424 -0.0537 0.1483 -0.0978 174 LYS C CB 4129 C CG . LYS C 173 ? 0.6038 0.8105 0.7231 -0.0629 0.1353 -0.0883 174 LYS C CG 4130 C CD . LYS C 173 ? 0.6314 0.8570 0.7150 -0.0681 0.1460 -0.1183 174 LYS C CD 4131 C CE . LYS C 173 ? 0.6802 0.9505 0.7205 -0.0875 0.1291 -0.1200 174 LYS C CE 4132 N NZ . LYS C 173 ? 0.6898 0.9706 0.7099 -0.0950 0.1114 -0.0764 174 LYS C NZ 4133 N N . SER C 174 ? 0.5330 0.6244 0.7564 -0.0313 0.1792 -0.0727 175 SER C N 4134 C CA . SER C 174 ? 0.5350 0.5883 0.7759 -0.0316 0.1944 -0.0752 175 SER C CA 4135 C C . SER C 174 ? 0.5379 0.5500 0.7565 -0.0181 0.2061 -0.0779 175 SER C C 4136 O O . SER C 174 ? 0.5238 0.5430 0.7243 -0.0061 0.2066 -0.0705 175 SER C O 4137 C CB . SER C 174 ? 0.5174 0.5764 0.7853 -0.0277 0.2011 -0.0548 175 SER C CB 4138 O OG . SER C 174 ? 0.5037 0.5469 0.7558 -0.0098 0.2070 -0.0375 175 SER C OG 4139 N N . ASN C 175 ? 0.5623 0.5309 0.7831 -0.0219 0.2128 -0.0874 176 ASN C N 4140 C CA . ASN C 175 ? 0.5731 0.4958 0.7762 -0.0062 0.2193 -0.0871 176 ASN C CA 4141 C C . ASN C 175 ? 0.5669 0.4624 0.7700 -0.0047 0.2308 -0.0626 176 ASN C C 4142 O O . ASN C 175 ? 0.5625 0.4709 0.7836 -0.0184 0.2376 -0.0520 176 ASN C O 4143 C CB . ASN C 175 ? 0.6213 0.4987 0.8190 -0.0089 0.2145 -0.1106 176 ASN C CB 4144 C CG . ASN C 175 ? 0.6354 0.5342 0.8242 0.0004 0.2061 -0.1420 176 ASN C CG 4145 O OD1 . ASN C 175 ? 0.6231 0.5480 0.8028 0.0182 0.2080 -0.1459 176 ASN C OD1 4146 N ND2 . ASN C 175 ? 0.6720 0.5634 0.8632 -0.0137 0.1976 -0.1670 176 ASN C ND2 4147 N N . SER C 176 ? 0.5699 0.4345 0.7535 0.0121 0.2329 -0.0558 177 SER C N 4148 C CA . SER C 176 ? 0.5754 0.4088 0.7472 0.0135 0.2428 -0.0346 177 SER C CA 4149 C C . SER C 176 ? 0.5975 0.3876 0.7445 0.0315 0.2374 -0.0321 177 SER C C 4150 O O . SER C 176 ? 0.5927 0.3949 0.7397 0.0481 0.2278 -0.0457 177 SER C O 4151 C CB . SER C 176 ? 0.5406 0.4081 0.7179 0.0173 0.2487 -0.0199 177 SER C CB 4152 O OG . SER C 176 ? 0.5157 0.3977 0.6826 0.0320 0.2409 -0.0184 177 SER C OG 4153 N N . ALA C 177 ? 0.6268 0.3719 0.7531 0.0275 0.2432 -0.0151 178 ALA C N 4154 C CA . ALA C 177 ? 0.6529 0.3575 0.7517 0.0453 0.2345 -0.0068 178 ALA C CA 4155 C C . ALA C 177 ? 0.6630 0.3535 0.7361 0.0395 0.2460 0.0157 178 ALA C C 4156 O O . ALA C 177 ? 0.6709 0.3649 0.7445 0.0192 0.2629 0.0244 178 ALA C O 4157 C CB . ALA C 177 ? 0.7141 0.3553 0.7995 0.0481 0.2217 -0.0114 178 ALA C CB 4158 N N . VAL C 178 ? 0.6645 0.3458 0.7167 0.0567 0.2372 0.0222 179 VAL C N 4159 C CA . VAL C 178 ? 0.6796 0.3477 0.7003 0.0532 0.2464 0.0390 179 VAL C CA 4160 C C . VAL C 178 ? 0.7419 0.3481 0.7187 0.0569 0.2352 0.0542 179 VAL C C 4161 O O . VAL C 178 ? 0.7560 0.3423 0.7317 0.0760 0.2127 0.0499 179 VAL C O 4162 C CB . VAL C 178 ? 0.6420 0.3453 0.6662 0.0654 0.2425 0.0359 179 VAL C CB 4163 C CG1 . VAL C 178 ? 0.6686 0.3524 0.6544 0.0641 0.2500 0.0475 179 VAL C CG1 4164 C CG2 . VAL C 178 ? 0.5927 0.3456 0.6521 0.0607 0.2498 0.0268 179 VAL C CG2 4165 N N . ALA C 179 ? 0.7851 0.3646 0.7257 0.0389 0.2505 0.0716 180 ALA C N 4166 C CA . ALA C 179 ? 0.8605 0.3765 0.7453 0.0374 0.2397 0.0925 180 ALA C CA 4167 C C . ALA C 179 ? 0.8823 0.4015 0.7233 0.0310 0.2537 0.1036 180 ALA C C 4168 O O . ALA C 179 ? 0.8665 0.4215 0.7146 0.0164 0.2816 0.0998 180 ALA C O 4169 C CB . ALA C 179 ? 0.9216 0.3859 0.7895 0.0130 0.2435 0.1066 180 ALA C CB 4170 N N . TRP C 180 ? 0.9237 0.4087 0.7210 0.0444 0.2325 0.1141 181 TRP C N 4171 C CA . TRP C 180 ? 0.9608 0.4392 0.7030 0.0383 0.2416 0.1234 181 TRP C CA 4172 C C . TRP C 180 ? 1.0451 0.4600 0.7242 0.0431 0.2139 0.1458 181 TRP C C 4173 O O . TRP C 180 ? 1.0550 0.4444 0.7472 0.0632 0.1815 0.1473 181 TRP C O 4174 C CB . TRP C 180 ? 0.9043 0.4294 0.6661 0.0541 0.2408 0.1036 181 TRP C CB 4175 C CG . TRP C 180 ? 0.8816 0.4083 0.6544 0.0769 0.2064 0.0979 181 TRP C CG 4176 C CD1 . TRP C 180 ? 0.9132 0.4213 0.6438 0.0856 0.1844 0.1030 181 TRP C CD1 4177 C CD2 . TRP C 180 ? 0.8225 0.3803 0.6541 0.0918 0.1910 0.0842 181 TRP C CD2 4178 N NE1 . TRP C 180 ? 0.8795 0.4097 0.6463 0.1045 0.1558 0.0934 181 TRP C NE1 4179 C CE2 . TRP C 180 ? 0.8250 0.3878 0.6530 0.1084 0.1616 0.0815 181 TRP C CE2 4180 C CE3 . TRP C 180 ? 0.7731 0.3599 0.6581 0.0911 0.1994 0.0725 181 TRP C CE3 4181 C CZ2 . TRP C 180 ? 0.7815 0.3844 0.6617 0.1235 0.1445 0.0669 181 TRP C CZ2 4182 C CZ3 . TRP C 180 ? 0.7309 0.3512 0.6591 0.1067 0.1822 0.0580 181 TRP C CZ3 4183 C CH2 . TRP C 180 ? 0.7337 0.3652 0.6611 0.1223 0.1571 0.0551 181 TRP C CH2 4184 N N . SER C 181 ? 1.1139 0.5055 0.7238 0.0260 0.2260 0.1620 182 SER C N 4185 C CA . SER C 181 ? 1.2076 0.5366 0.7443 0.0281 0.1974 0.1872 182 SER C CA 4186 C C . SER C 181 ? 1.2550 0.5884 0.7228 0.0175 0.2106 0.1901 182 SER C C 4187 O O . SER C 181 ? 1.2567 0.6202 0.7130 -0.0035 0.2510 0.1837 182 SER C O 4188 C CB . SER C 181 ? 1.2911 0.5508 0.7903 0.0063 0.1937 0.2179 182 SER C CB 4189 O OG . SER C 181 ? 1.3882 0.5796 0.8107 0.0094 0.1607 0.2465 182 SER C OG 4190 N N . ASN C 182 ? 1.2999 0.6079 0.7241 0.0335 0.1755 0.1966 183 ASN C N 4191 C CA . ASN C 182 ? 1.3574 0.6637 0.7067 0.0249 0.1813 0.1968 183 ASN C CA 4192 C C . ASN C 182 ? 1.4753 0.7274 0.7278 -0.0051 0.1912 0.2310 183 ASN C C 4193 O O . ASN C 182 ? 1.5257 0.7872 0.7131 -0.0228 0.2159 0.2288 183 ASN C O 4194 C CB . ASN C 182 ? 1.3621 0.6657 0.7024 0.0504 0.1358 0.1900 183 ASN C CB 4195 C CG . ASN C 182 ? 1.3801 0.7054 0.6763 0.0467 0.1447 0.1705 183 ASN C CG 4196 O OD1 . ASN C 182 ? 1.4727 0.7700 0.6786 0.0302 0.1512 0.1828 183 ASN C OD1 4197 N ND2 . ASN C 182 ? 1.3044 0.6761 0.6595 0.0605 0.1438 0.1396 183 ASN C ND2 4198 N N . LYS C 183 ? 1.5277 0.7208 0.7683 -0.0119 0.1719 0.2618 184 LYS C N 4199 C CA . LYS C 183 ? 1.6553 0.7823 0.7993 -0.0455 0.1751 0.3028 184 LYS C CA 4200 C C . LYS C 183 ? 1.6718 0.8299 0.7976 -0.0888 0.2353 0.3045 184 LYS C C 4201 O O . LYS C 183 ? 1.5905 0.8000 0.7948 -0.0932 0.2665 0.2833 184 LYS C O 4202 C CB . LYS C 183 ? 1.7070 0.7553 0.8537 -0.0413 0.1375 0.3330 184 LYS C CB 4203 N N . SER C 184 ? 1.7838 0.9164 0.8051 -0.1213 0.2507 0.3293 185 SER C N 4204 C CA . SER C 184 ? 1.8226 0.9871 0.8165 -0.1685 0.3090 0.3356 185 SER C CA 4205 C C . SER C 184 ? 1.8667 0.9812 0.8690 -0.2023 0.3109 0.3696 185 SER C C 4206 O O . SER C 184 ? 1.9073 0.9399 0.9024 -0.1908 0.2628 0.3955 185 SER C O 4207 C CB . SER C 184 ? 1.9427 1.0936 0.8115 -0.1963 0.3240 0.3536 185 SER C CB 4208 N N . ASP C 185 ? 1.8650 1.0299 0.8850 -0.2435 0.3648 0.3670 186 ASP C N 4209 C CA . ASP C 185 ? 1.9000 1.0293 0.9387 -0.2837 0.3726 0.3938 186 ASP C CA 4210 C C . ASP C 185 ? 1.7979 0.9258 0.9466 -0.2529 0.3478 0.3729 186 ASP C C 4211 O O . ASP C 185 ? 1.8421 0.9004 0.9964 -0.2696 0.3264 0.3965 186 ASP C O 4212 C CB . ASP C 185 ? 2.0598 1.0724 0.9874 -0.3189 0.3437 0.4532 186 ASP C CB 4213 N N . PHE C 186 ? 1.6707 0.8719 0.9010 -0.2094 0.3502 0.3279 187 PHE C N 4214 C CA . PHE C 186 ? 1.5675 0.7882 0.9013 -0.1825 0.3352 0.3026 187 PHE C CA 4215 C C . PHE C 186 ? 1.4756 0.8003 0.8888 -0.1899 0.3809 0.2687 187 PHE C C 4216 O O . PHE C 186 ? 1.4294 0.8223 0.8533 -0.1738 0.4038 0.2423 187 PHE C O 4217 C CB . PHE C 186 ? 1.5033 0.7189 0.8670 -0.1260 0.2927 0.2824 187 PHE C CB 4218 C CG . PHE C 186 ? 1.3865 0.6464 0.8545 -0.0984 0.2864 0.2496 187 PHE C CG 4219 C CD1 . PHE C 186 ? 1.3896 0.6015 0.8914 -0.0918 0.2587 0.2538 187 PHE C CD1 4220 C CD2 . PHE C 186 ? 1.2834 0.6284 0.8104 -0.0789 0.3063 0.2142 187 PHE C CD2 4221 C CE1 . PHE C 186 ? 1.2929 0.5497 0.8826 -0.0685 0.2545 0.2222 187 PHE C CE1 4222 C CE2 . PHE C 186 ? 1.1874 0.5714 0.8004 -0.0573 0.2994 0.1881 187 PHE C CE2 4223 C CZ . PHE C 186 ? 1.1910 0.5352 0.8337 -0.0532 0.2751 0.1916 187 PHE C CZ 4224 N N . ALA C 187 ? 1.4567 0.7897 0.9253 -0.2128 0.3902 0.2683 188 ALA C N 4225 C CA . ALA C 187 ? 1.3742 0.8060 0.9253 -0.2198 0.4270 0.2379 188 ALA C CA 4226 C C . ALA C 187 ? 1.3039 0.7381 0.9373 -0.2061 0.4059 0.2213 188 ALA C C 4227 O O . ALA C 187 ? 1.3340 0.6902 0.9574 -0.1998 0.3694 0.2344 188 ALA C O 4228 C CB . ALA C 187 ? 1.4380 0.9042 0.9690 -0.2779 0.4727 0.2532 188 ALA C CB 4229 N N . CYS C 188 ? 1.2171 0.7409 0.9301 -0.1998 0.4275 0.1909 189 CYS C N 4230 C CA . CYS C 188 ? 1.1485 0.6879 0.9377 -0.1868 0.4095 0.1713 189 CYS C CA 4231 C C . CYS C 188 ? 1.1989 0.7005 0.9969 -0.2300 0.4071 0.1860 189 CYS C C 4232 O O . CYS C 188 ? 1.1745 0.6506 1.0092 -0.2192 0.3807 0.1749 189 CYS C O 4233 C CB . CYS C 188 ? 1.0553 0.6982 0.9199 -0.1695 0.4296 0.1384 189 CYS C CB 4234 S SG . CYS C 188 ? 1.0133 0.6899 0.8701 -0.1207 0.4288 0.1183 189 CYS C SG 4235 N N . ALA C 189 ? 1.2768 0.7745 1.0378 -0.2813 0.4350 0.2098 190 ALA C N 4236 C CA . ALA C 189 ? 1.3472 0.7973 1.1058 -0.3324 0.4323 0.2291 190 ALA C CA 4237 C C . ALA C 189 ? 1.4286 0.7444 1.1287 -0.3276 0.3880 0.2540 190 ALA C C 4238 O O . ALA C 189 ? 1.4658 0.7260 1.1809 -0.3476 0.3680 0.2565 190 ALA C O 4239 C CB . ALA C 189 ? 1.4205 0.9042 1.1486 -0.3941 0.4758 0.2516 190 ALA C CB 4240 N N . ASN C 190 ? 1.4609 0.7249 1.0961 -0.2989 0.3703 0.2697 191 ASN C N 4241 C CA . ASN C 190 ? 1.5432 0.6827 1.1228 -0.2848 0.3238 0.2930 191 ASN C CA 4242 C C . ASN C 190 ? 1.4724 0.6064 1.0811 -0.2169 0.2871 0.2673 191 ASN C C 4243 O O . ASN C 190 ? 1.5315 0.5819 1.0956 -0.1914 0.2484 0.2825 191 ASN C O 4244 C CB . ASN C 190 ? 1.6584 0.7348 1.1332 -0.3091 0.3249 0.3368 191 ASN C CB 4245 N N . ALA C 191 ? 1.3520 0.5774 1.0363 -0.1891 0.2981 0.2291 192 ALA C N 4246 C CA . ALA C 191 ? 1.2818 0.5224 0.9962 -0.1316 0.2710 0.2043 192 ALA C CA 4247 C C . ALA C 191 ? 1.2738 0.4776 1.0290 -0.1096 0.2393 0.1844 192 ALA C C 4248 O O . ALA C 191 ? 1.2815 0.4480 1.0315 -0.0690 0.2055 0.1783 192 ALA C O 4249 C CB . ALA C 191 ? 1.1703 0.5185 0.9355 -0.1134 0.2954 0.1765 192 ALA C CB 4250 N N . PHE C 192 ? 1.2621 0.4820 1.0595 -0.1359 0.2500 0.1711 193 PHE C N 4251 C CA . PHE C 192 ? 1.2510 0.4468 1.0887 -0.1165 0.2241 0.1442 193 PHE C CA 4252 C C . PHE C 192 ? 1.3597 0.4556 1.1730 -0.1491 0.2071 0.1575 193 PHE C C 4253 O O . PHE C 192 ? 1.3613 0.4390 1.2091 -0.1433 0.1907 0.1310 193 PHE C O 4254 C CB . PHE C 192 ? 1.1480 0.4430 1.0566 -0.1143 0.2417 0.1104 193 PHE C CB 4255 C CG . PHE C 192 ? 1.0511 0.4274 0.9848 -0.0784 0.2491 0.0950 193 PHE C CG 4256 C CD1 . PHE C 192 ? 1.0067 0.4506 0.9449 -0.0891 0.2786 0.1015 193 PHE C CD1 4257 C CD2 . PHE C 192 ? 1.0088 0.3947 0.9626 -0.0351 0.2266 0.0725 193 PHE C CD2 4258 C CE1 . PHE C 192 ? 0.9280 0.4330 0.8857 -0.0580 0.2813 0.0880 193 PHE C CE1 4259 C CE2 . PHE C 192 ? 0.9265 0.3827 0.9005 -0.0096 0.2324 0.0616 193 PHE C CE2 4260 C CZ . PHE C 192 ? 0.8892 0.3977 0.8630 -0.0216 0.2577 0.0705 193 PHE C CZ 4261 N N . ASN C 193 ? 1.4588 0.4857 1.2076 -0.1855 0.2097 0.1984 194 ASN C N 4262 C CA . ASN C 193 ? 1.5835 0.4964 1.2976 -0.2212 0.1891 0.2183 194 ASN C CA 4263 C C . ASN C 193 ? 1.6534 0.4579 1.3472 -0.1754 0.1373 0.2129 194 ASN C C 4264 O O . ASN C 193 ? 1.7594 0.4576 1.4326 -0.1933 0.1111 0.2197 194 ASN C O 4265 C CB . ASN C 193 ? 1.6818 0.5533 1.3266 -0.2811 0.2087 0.2680 194 ASN C CB 4266 C CG . ASN C 193 ? 1.7196 0.5620 1.2941 -0.2615 0.2015 0.2992 194 ASN C CG 4267 O OD1 . ASN C 193 ? 1.6962 0.5252 1.2701 -0.2035 0.1722 0.2877 194 ASN C OD1 4268 N ND2 . ASN C 193 ? 1.7821 0.6204 1.2961 -0.3126 0.2287 0.3378 194 ASN C ND2 4269 N N . ASN C 194 ? 1.5979 0.4321 1.3010 -0.1162 0.1218 0.1986 195 ASN C N 4270 C CA . ASN C 194 ? 1.6378 0.4049 1.3447 -0.0598 0.0752 0.1810 195 ASN C CA 4271 C C . ASN C 194 ? 1.5698 0.3828 1.3492 -0.0313 0.0712 0.1265 195 ASN C C 4272 O O . ASN C 194 ? 1.5978 0.3700 1.3933 0.0172 0.0369 0.1002 195 ASN C O 4273 C CB . ASN C 194 ? 1.6033 0.4025 1.2974 -0.0128 0.0626 0.1864 195 ASN C CB 4274 C CG . ASN C 194 ? 1.6797 0.3957 1.3640 0.0416 0.0095 0.1809 195 ASN C CG 4275 O OD1 . ASN C 194 ? 1.8047 0.3978 1.4519 0.0358 -0.0226 0.1976 195 ASN C OD1 4276 N ND2 . ASN C 194 ? 1.6112 0.3941 1.3305 0.0948 -0.0017 0.1573 195 ASN C ND2 4277 N N . SER C 195 ? 1.4857 0.3874 1.3076 -0.0610 0.1059 0.1086 196 SER C N 4278 C CA . SER C 195 ? 1.4236 0.3771 1.3056 -0.0443 0.1061 0.0596 196 SER C CA 4279 C C . SER C 195 ? 1.4663 0.3929 1.3565 -0.0974 0.1138 0.0553 196 SER C C 4280 O O . SER C 195 ? 1.4986 0.4162 1.3655 -0.1518 0.1338 0.0885 196 SER C O 4281 C CB . SER C 195 ? 1.2851 0.3753 1.2124 -0.0301 0.1347 0.0409 196 SER C CB 4282 O OG . SER C 195 ? 1.2422 0.3614 1.1626 0.0106 0.1286 0.0461 196 SER C OG 4283 N N . ILE C 196 ? 1.4695 0.3896 1.3931 -0.0836 0.0988 0.0123 197 ILE C N 4284 C CA . ILE C 196 ? 1.5087 0.4098 1.4450 -0.1340 0.1024 0.0014 197 ILE C CA 4285 C C . ILE C 196 ? 1.3951 0.4305 1.3804 -0.1564 0.1359 -0.0125 197 ILE C C 4286 O O . ILE C 196 ? 1.3241 0.4303 1.3472 -0.1282 0.1361 -0.0514 197 ILE C O 4287 C CB . ILE C 196 ? 1.5828 0.4050 1.5258 -0.1119 0.0677 -0.0417 197 ILE C CB 4288 C CG1 . ILE C 196 ? 1.7057 0.3874 1.6027 -0.0831 0.0288 -0.0275 197 ILE C CG1 4289 C CG2 . ILE C 196 ? 1.6331 0.4303 1.5854 -0.1711 0.0686 -0.0520 197 ILE C CG2 4290 C CD1 . ILE C 196 ? 1.7692 0.3813 1.6780 -0.0381 -0.0074 -0.0790 197 ILE C CD1 4291 N N . ILE C 197 ? 1.3860 0.4571 1.3684 -0.2066 0.1634 0.0199 198 ILE C N 4292 C CA . ILE C 197 ? 1.2859 0.4840 1.3169 -0.2264 0.1932 0.0112 198 ILE C CA 4293 C C . ILE C 197 ? 1.3256 0.5278 1.3796 -0.2872 0.1977 0.0068 198 ILE C C 4294 O O . ILE C 197 ? 1.4264 0.5463 1.4492 -0.3326 0.1936 0.0313 198 ILE C O 4295 C CB . ILE C 197 ? 1.2309 0.4953 1.2551 -0.2299 0.2246 0.0431 198 ILE C CB 4296 C CG1 . ILE C 197 ? 1.3280 0.5237 1.3013 -0.2736 0.2341 0.0869 198 ILE C CG1 4297 C CG2 . ILE C 197 ? 1.1691 0.4545 1.1840 -0.1712 0.2197 0.0393 198 ILE C CG2 4298 C CD1 . ILE C 197 ? 1.2879 0.5638 1.2601 -0.2923 0.2724 0.1112 198 ILE C CD1 4299 N N . PRO C 198 ? 1.2536 0.5507 1.3604 -0.2911 0.2034 -0.0230 199 PRO C N 4300 C CA . PRO C 198 ? 1.2830 0.6027 1.4217 -0.3478 0.2047 -0.0322 199 PRO C CA 4301 C C . PRO C 198 ? 1.3169 0.6544 1.4563 -0.4078 0.2316 0.0051 199 PRO C C 4302 O O . PRO C 198 ? 1.2793 0.6594 1.4099 -0.4006 0.2578 0.0317 199 PRO C O 4303 C CB . PRO C 198 ? 1.1778 0.6224 1.3712 -0.3303 0.2101 -0.0612 199 PRO C CB 4304 C CG . PRO C 198 ? 1.0945 0.5825 1.2819 -0.2727 0.2184 -0.0584 199 PRO C CG 4305 C CD . PRO C 198 ? 1.1495 0.5342 1.2858 -0.2428 0.2045 -0.0496 199 PRO C CD 4306 N N . GLU C 199 ? 1.3931 0.7010 1.5425 -0.4687 0.2256 0.0047 200 GLU C N 4307 C CA . GLU C 199 ? 1.4470 0.7671 1.5950 -0.5368 0.2516 0.0403 200 GLU C CA 4308 C C . GLU C 199 ? 1.3513 0.8282 1.5577 -0.5463 0.2892 0.0432 200 GLU C C 4309 O O . GLU C 199 ? 1.3674 0.8734 1.5622 -0.5744 0.3214 0.0748 200 GLU C O 4310 C CB . GLU C 199 ? 1.5506 0.8093 1.7030 -0.6044 0.2337 0.0350 200 GLU C CB 4311 N N . ASP C 200 ? 1.2605 0.8368 1.5268 -0.5209 0.2837 0.0095 201 ASP C N 4312 C CA . ASP C 200 ? 1.1756 0.9005 1.5068 -0.5236 0.3116 0.0068 201 ASP C CA 4313 C C . ASP C 200 ? 1.0789 0.8594 1.4109 -0.4571 0.3233 0.0059 201 ASP C C 4314 O O . ASP C 200 ? 0.9981 0.8873 1.3858 -0.4353 0.3280 -0.0105 201 ASP C O 4315 C CB . ASP C 200 ? 1.1487 0.9546 1.5485 -0.5442 0.2954 -0.0251 201 ASP C CB 4316 C CG . ASP C 200 ? 1.1408 0.9030 1.5290 -0.5076 0.2570 -0.0587 201 ASP C CG 4317 O OD1 . ASP C 200 ? 1.0917 0.8438 1.4563 -0.4467 0.2509 -0.0652 201 ASP C OD1 4318 O OD2 . ASP C 200 ? 1.1937 0.9359 1.5961 -0.5429 0.2336 -0.0805 201 ASP C OD2 4319 N N . THR C 201 ? 1.0954 0.7970 1.3651 -0.4260 0.3243 0.0243 202 THR C N 4320 C CA . THR C 201 ? 1.0190 0.7598 1.2812 -0.3700 0.3351 0.0265 202 THR C CA 4321 C C . THR C 201 ? 0.9986 0.8242 1.2812 -0.3849 0.3740 0.0422 202 THR C C 4322 O O . THR C 201 ? 1.0671 0.8698 1.3227 -0.4289 0.3961 0.0670 202 THR C O 4323 C CB . THR C 201 ? 1.0519 0.6869 1.2433 -0.3364 0.3225 0.0410 202 THR C CB 4324 O OG1 . THR C 201 ? 1.0890 0.6433 1.2640 -0.3255 0.2884 0.0233 202 THR C OG1 4325 C CG2 . THR C 201 ? 0.9718 0.6479 1.1606 -0.2792 0.3265 0.0372 202 THR C CG2 4326 N N . PHE C 202 ? 0.9126 0.8344 1.2403 -0.3484 0.3818 0.0269 203 PHE C N 4327 C CA . PHE C 202 ? 0.8888 0.9049 1.2483 -0.3534 0.4176 0.0311 203 PHE C CA 4328 C C . PHE C 202 ? 0.9069 0.8853 1.2050 -0.3350 0.4386 0.0514 203 PHE C C 4329 O O . PHE C 202 ? 0.8809 0.8114 1.1419 -0.2894 0.4230 0.0515 203 PHE C O 4330 C CB . PHE C 202 ? 0.8040 0.9242 1.2326 -0.3152 0.4113 0.0061 203 PHE C CB 4331 C CG . PHE C 202 ? 0.7802 0.9994 1.2481 -0.3071 0.4449 0.0025 203 PHE C CG 4332 C CD1 . PHE C 202 ? 0.8082 1.1064 1.3221 -0.3544 0.4739 0.0022 203 PHE C CD1 4333 C CD2 . PHE C 202 ? 0.7340 0.9703 1.1955 -0.2523 0.4473 -0.0035 203 PHE C CD2 4334 C CE1 . PHE C 202 ? 0.7897 1.1894 1.3450 -0.3421 0.5074 -0.0073 203 PHE C CE1 4335 C CE2 . PHE C 202 ? 0.7179 1.0420 1.2161 -0.2389 0.4770 -0.0132 203 PHE C CE2 4336 C CZ . PHE C 202 ? 0.7458 1.1555 1.2924 -0.2812 0.5082 -0.0169 203 PHE C CZ 4337 N N . PHE C 203 ? 0.9572 0.9617 1.2435 -0.3744 0.4743 0.0679 204 PHE C N 4338 C CA . PHE C 203 ? 0.9847 0.9673 1.2101 -0.3631 0.4984 0.0853 204 PHE C CA 4339 C C . PHE C 203 ? 0.9716 1.0737 1.2386 -0.3700 0.5417 0.0747 204 PHE C C 4340 O O . PHE C 203 ? 1.0212 1.1713 1.3049 -0.4253 0.5711 0.0829 204 PHE C O 4341 C CB . PHE C 203 ? 1.0890 0.9655 1.2323 -0.4068 0.5000 0.1208 204 PHE C CB 4342 C CG . PHE C 203 ? 1.1076 0.8598 1.1958 -0.3804 0.4591 0.1302 204 PHE C CG 4343 C CD1 . PHE C 203 ? 1.1385 0.8237 1.2317 -0.3992 0.4287 0.1288 204 PHE C CD1 4344 C CD2 . PHE C 203 ? 1.0987 0.8039 1.1324 -0.3361 0.4500 0.1374 204 PHE C CD2 4345 C CE1 . PHE C 203 ? 1.1611 0.7385 1.2096 -0.3693 0.3916 0.1319 204 PHE C CE1 4346 C CE2 . PHE C 203 ? 1.1174 0.7209 1.1099 -0.3092 0.4120 0.1432 204 PHE C CE2 4347 C CZ . PHE C 203 ? 1.1489 0.6904 1.1506 -0.3234 0.3837 0.1395 204 PHE C CZ 4348 N N . PRO C 204 ? 0.9115 1.0631 1.1968 -0.3147 0.5456 0.0546 205 PRO C N 4349 C CA . PRO C 204 ? 0.8989 1.1656 1.2293 -0.3080 0.5840 0.0357 205 PRO C CA 4350 C C . PRO C 204 ? 0.9658 1.2225 1.2262 -0.3240 0.6227 0.0501 205 PRO C C 4351 O O . PRO C 204 ? 1.0069 1.1618 1.1798 -0.3206 0.6117 0.0727 205 PRO C O 4352 C CB . PRO C 204 ? 0.8222 1.1149 1.1869 -0.2385 0.5628 0.0099 205 PRO C CB 4353 C CG . PRO C 204 ? 0.8144 0.9929 1.1134 -0.2130 0.5284 0.0240 205 PRO C CG 4354 C CD . PRO C 204 ? 0.8565 0.9587 1.1247 -0.2556 0.5122 0.0461 205 PRO C CD 4355 N N . SER C 205 ? 0.9803 1.3486 1.2805 -0.3403 0.6669 0.0348 206 SER C N 4356 C CA . SER C 205 ? 1.0471 1.4281 1.2834 -0.3564 0.7103 0.0421 206 SER C CA 4357 C C . SER C 205 ? 1.0300 1.3717 1.2169 -0.2947 0.7021 0.0290 206 SER C C 4358 O O . SER C 205 ? 1.0847 1.4327 1.2114 -0.2981 0.7340 0.0293 206 SER C O 4359 C CB . SER C 205 ? 1.0560 1.5883 1.3629 -0.3786 0.7609 0.0178 206 SER C CB 4360 O OG . SER C 205 ? 1.0686 1.6496 1.4341 -0.4369 0.7657 0.0265 206 SER C OG 4361 N N . ALA D 3 ? 0.6327 0.6604 0.6524 0.2938 0.0809 0.0792 2 ALA D N 4362 C CA . ALA D 3 ? 0.5982 0.5915 0.6118 0.2410 0.0648 0.0529 2 ALA D CA 4363 C C . ALA D 3 ? 0.5798 0.5684 0.5929 0.2215 0.0664 0.0297 2 ALA D C 4364 O O . ALA D 3 ? 0.5313 0.5439 0.5604 0.1839 0.0506 0.0161 2 ALA D O 4365 C CB . ALA D 3 ? 0.5376 0.5969 0.5835 0.2111 0.0413 0.0580 2 ALA D CB 4366 N N . ALA D 4 ? 0.6278 0.5806 0.6172 0.2499 0.0872 0.0261 3 ALA D N 4367 C CA . ALA D 4 ? 0.6161 0.5714 0.6033 0.2375 0.0912 0.0076 3 ALA D CA 4368 C C . ALA D 4 ? 0.6224 0.5090 0.5784 0.2009 0.0858 -0.0194 3 ALA D C 4369 O O . ALA D 4 ? 0.6716 0.4818 0.5902 0.1953 0.0897 -0.0268 3 ALA D O 4370 C CB . ALA D 4 ? 0.6685 0.6131 0.6377 0.2833 0.1171 0.0131 3 ALA D CB 4371 N N . VAL D 5 ? 0.5760 0.4937 0.5463 0.1748 0.0770 -0.0321 4 VAL D N 4372 C CA . VAL D 5 ? 0.5793 0.4494 0.5221 0.1451 0.0731 -0.0552 4 VAL D CA 4373 C C . VAL D 5 ? 0.5928 0.4642 0.5227 0.1534 0.0854 -0.0653 4 VAL D C 4374 O O . VAL D 5 ? 0.5556 0.4896 0.5154 0.1543 0.0835 -0.0586 4 VAL D O 4375 C CB . VAL D 5 ? 0.5197 0.4228 0.4858 0.1082 0.0514 -0.0596 4 VAL D CB 4376 C CG1 . VAL D 5 ? 0.5226 0.3965 0.4652 0.0822 0.0475 -0.0790 4 VAL D CG1 4377 C CG2 . VAL D 5 ? 0.5119 0.4100 0.4845 0.0995 0.0409 -0.0517 4 VAL D CG2 4378 N N . THR D 6 ? 0.6515 0.4516 0.5326 0.1565 0.0985 -0.0816 5 THR D N 4379 C CA . THR D 6 ? 0.6733 0.4674 0.5329 0.1648 0.1118 -0.0935 5 THR D CA 4380 C C . THR D 6 ? 0.6545 0.4445 0.5014 0.1263 0.0993 -0.1119 5 THR D C 4381 O O . THR D 6 ? 0.6481 0.4139 0.4845 0.0963 0.0859 -0.1202 5 THR D O 4382 C CB . THR D 6 ? 0.7677 0.4823 0.5714 0.1955 0.1376 -0.1018 5 THR D CB 4383 O OG1 . THR D 6 ? 0.8204 0.4512 0.5812 0.1764 0.1361 -0.1133 5 THR D OG1 4384 C CG2 . THR D 6 ? 0.7834 0.5215 0.6027 0.2466 0.1548 -0.0789 5 THR D CG2 4385 N N . GLN D 7 ? 0.6446 0.4661 0.4936 0.1287 0.1042 -0.1154 6 GLN D N 4386 C CA . GLN D 7 ? 0.6369 0.4597 0.4701 0.0989 0.0947 -0.1300 6 GLN D CA 4387 C C . GLN D 7 ? 0.6922 0.4903 0.4842 0.1105 0.1124 -0.1438 6 GLN D C 4388 O O . GLN D 7 ? 0.7091 0.5225 0.5043 0.1430 0.1304 -0.1366 6 GLN D O 4389 C CB . GLN D 7 ? 0.5657 0.4572 0.4423 0.0848 0.0801 -0.1181 6 GLN D CB 4390 C CG . GLN D 7 ? 0.5156 0.4286 0.4256 0.0708 0.0629 -0.1076 6 GLN D CG 4391 C CD . GLN D 7 ? 0.4637 0.4241 0.4015 0.0557 0.0509 -0.0991 6 GLN D CD 4392 O OE1 . GLN D 7 ? 0.4333 0.4204 0.4004 0.0527 0.0432 -0.0875 6 GLN D OE1 4393 N NE2 . GLN D 7 ? 0.4642 0.4302 0.3872 0.0458 0.0501 -0.1046 6 GLN D NE2 4394 N N . SER D 8 ? 0.7228 0.4888 0.4751 0.0838 0.1073 -0.1631 7 SER D N 4395 C CA . SER D 8 ? 0.7732 0.5206 0.4820 0.0877 0.1209 -0.1786 7 SER D CA 4396 C C . SER D 8 ? 0.7605 0.5280 0.4565 0.0509 0.1038 -0.1887 7 SER D C 4397 O O . SER D 8 ? 0.7577 0.5158 0.4488 0.0207 0.0873 -0.1940 7 SER D O 4398 C CB . SER D 8 ? 0.8724 0.5292 0.5166 0.1008 0.1415 -0.1973 7 SER D CB 4399 O OG . SER D 8 ? 0.9175 0.5191 0.5184 0.0621 0.1313 -0.2166 7 SER D OG 4400 N N . PRO D 9 ? 0.7553 0.5582 0.4469 0.0542 0.1078 -0.1885 8 PRO D N 4401 C CA . PRO D 9 ? 0.7570 0.5850 0.4586 0.0869 0.1271 -0.1793 8 PRO D CA 4402 C C . PRO D 9 ? 0.6820 0.5757 0.4486 0.0954 0.1205 -0.1529 8 PRO D C 4403 O O . PRO D 9 ? 0.6338 0.5490 0.4306 0.0756 0.1012 -0.1443 8 PRO D O 4404 C CB . PRO D 9 ? 0.7756 0.6215 0.4474 0.0758 0.1284 -0.1879 8 PRO D CB 4405 C CG . PRO D 9 ? 0.7420 0.6107 0.4217 0.0410 0.1034 -0.1871 8 PRO D CG 4406 C CD . PRO D 9 ? 0.7494 0.5782 0.4255 0.0247 0.0930 -0.1948 8 PRO D CD 4407 N N . ARG D 10 ? 0.6788 0.6046 0.4634 0.1234 0.1374 -0.1405 9 ARG D N 4408 C CA . ARG D 10 ? 0.6167 0.6081 0.4570 0.1242 0.1318 -0.1163 9 ARG D CA 4409 C C . ARG D 10 ? 0.5883 0.6193 0.4358 0.1053 0.1254 -0.1088 9 ARG D C 4410 O O . ARG D 10 ? 0.5450 0.6112 0.4274 0.0907 0.1141 -0.0927 9 ARG D O 4411 C CB . ARG D 10 ? 0.6298 0.6545 0.4884 0.1588 0.1521 -0.1029 9 ARG D CB 4412 C CG . ARG D 10 ? 0.6496 0.6538 0.5176 0.1814 0.1561 -0.0986 9 ARG D CG 4413 C CD . ARG D 10 ? 0.6100 0.6423 0.5230 0.1626 0.1350 -0.0848 9 ARG D CD 4414 N NE . ARG D 10 ? 0.5793 0.6728 0.5280 0.1391 0.1240 -0.0708 9 ARG D NE 4415 C CZ . ARG D 10 ? 0.5705 0.7330 0.5539 0.1449 0.1296 -0.0511 9 ARG D CZ 4416 N NH1 . ARG D 10 ? 0.5952 0.7886 0.5891 0.1790 0.1461 -0.0404 9 ARG D NH1 4417 N NH2 . ARG D 10 ? 0.5372 0.7385 0.5423 0.1160 0.1196 -0.0408 9 ARG D NH2 4418 N N . ASN D 11 ? 0.6219 0.6407 0.4297 0.1052 0.1335 -0.1206 10 ASN D N 4419 C CA . ASN D 11 ? 0.6074 0.6630 0.4150 0.0931 0.1318 -0.1111 10 ASN D CA 4420 C C . ASN D 11 ? 0.6501 0.6788 0.4051 0.0845 0.1317 -0.1300 10 ASN D C 4421 O O . ASN D 11 ? 0.7056 0.7013 0.4198 0.0981 0.1469 -0.1481 10 ASN D O 4422 C CB . ASN D 11 ? 0.6100 0.7137 0.4348 0.1113 0.1512 -0.0956 10 ASN D CB 4423 C CG . ASN D 11 ? 0.5829 0.7310 0.4269 0.0932 0.1468 -0.0753 10 ASN D CG 4424 O OD1 . ASN D 11 ? 0.5965 0.7392 0.4163 0.0803 0.1412 -0.0766 10 ASN D OD1 4425 N ND2 . ASN D 11 ? 0.5536 0.7465 0.4379 0.0908 0.1497 -0.0551 10 ASN D ND2 4426 N N . LYS D 12 ? 0.6305 0.6726 0.3825 0.0629 0.1152 -0.1254 11 LYS D N 4427 C CA . LYS D 12 ? 0.6674 0.6956 0.3720 0.0490 0.1095 -0.1417 11 LYS D CA 4428 C C . LYS D 12 ? 0.6585 0.7271 0.3591 0.0403 0.1032 -0.1262 11 LYS D C 4429 O O . LYS D 12 ? 0.6197 0.7107 0.3514 0.0355 0.0929 -0.1054 11 LYS D O 4430 C CB . LYS D 12 ? 0.6661 0.6665 0.3628 0.0292 0.0914 -0.1547 11 LYS D CB 4431 C CG . LYS D 12 ? 0.6976 0.6987 0.3497 0.0062 0.0802 -0.1690 11 LYS D CG 4432 C CD . LYS D 12 ? 0.7698 0.7241 0.3616 0.0039 0.0940 -0.1975 11 LYS D CD 4433 C CE . LYS D 12 ? 0.8043 0.7657 0.3492 -0.0271 0.0800 -0.2127 11 LYS D CE 4434 N NZ . LYS D 12 ? 0.8878 0.7893 0.3629 -0.0355 0.0935 -0.2447 11 LYS D NZ 4435 N N . VAL D 13 ? 0.7036 0.7758 0.3598 0.0397 0.1109 -0.1365 12 VAL D N 4436 C CA . VAL D 13 ? 0.7050 0.8144 0.3476 0.0321 0.1045 -0.1224 12 VAL D CA 4437 C C . VAL D 13 ? 0.7360 0.8436 0.3376 0.0119 0.0891 -0.1394 12 VAL D C 4438 O O . VAL D 13 ? 0.7885 0.8666 0.3445 0.0053 0.0952 -0.1663 12 VAL D O 4439 C CB . VAL D 13 ? 0.7347 0.8647 0.3579 0.0453 0.1252 -0.1166 12 VAL D CB 4440 C CG1 . VAL D 13 ? 0.7385 0.9063 0.3473 0.0384 0.1185 -0.0974 12 VAL D CG1 4441 C CG2 . VAL D 13 ? 0.7068 0.8501 0.3715 0.0607 0.1406 -0.0998 12 VAL D CG2 4442 N N . ALA D 14 ? 0.7101 0.8496 0.3250 0.0021 0.0700 -0.1230 13 ALA D N 4443 C CA . ALA D 14 ? 0.7341 0.8927 0.3187 -0.0195 0.0520 -0.1333 13 ALA D CA 4444 C C . ALA D 14 ? 0.7359 0.9503 0.3119 -0.0176 0.0430 -0.1096 13 ALA D C 4445 O O . ALA D 14 ? 0.7183 0.9454 0.3140 0.0001 0.0503 -0.0833 13 ALA D O 4446 C CB . ALA D 14 ? 0.7034 0.8560 0.3142 -0.0312 0.0358 -0.1355 13 ALA D CB 4447 N N . VAL D 15 ? 0.7640 1.0122 0.3077 -0.0376 0.0272 -0.1174 14 VAL D N 4448 C CA . VAL D 15 ? 0.7690 1.0801 0.3029 -0.0336 0.0166 -0.0921 14 VAL D CA 4449 C C . VAL D 15 ? 0.7417 1.0975 0.3002 -0.0376 -0.0049 -0.0761 14 VAL D C 4450 O O . VAL D 15 ? 0.7306 1.0750 0.3006 -0.0549 -0.0142 -0.0922 14 VAL D O 4451 C CB . VAL D 15 ? 0.8299 1.1652 0.3033 -0.0508 0.0157 -0.1085 14 VAL D CB 4452 C CG1 . VAL D 15 ? 0.8591 1.2096 0.3017 -0.0878 -0.0027 -0.1343 14 VAL D CG1 4453 C CG2 . VAL D 15 ? 0.8379 1.2321 0.3012 -0.0361 0.0128 -0.0764 14 VAL D CG2 4454 N N . THR D 16 ? 0.7354 1.1417 0.3005 -0.0188 -0.0109 -0.0424 15 THR D N 4455 C CA . THR D 16 ? 0.7161 1.1779 0.3015 -0.0142 -0.0290 -0.0220 15 THR D CA 4456 C C . THR D 16 ? 0.7424 1.2595 0.3017 -0.0493 -0.0487 -0.0407 15 THR D C 4457 O O . THR D 16 ? 0.7848 1.3346 0.3012 -0.0654 -0.0528 -0.0485 15 THR D O 4458 C CB . THR D 16 ? 0.7215 1.2255 0.3077 0.0186 -0.0285 0.0204 15 THR D CB 4459 O OG1 . THR D 16 ? 0.7111 1.1561 0.3120 0.0428 -0.0092 0.0363 15 THR D OG1 4460 C CG2 . THR D 16 ? 0.7034 1.2629 0.3137 0.0339 -0.0431 0.0447 15 THR D CG2 4461 N N . GLY D 17 ? 0.7205 1.2485 0.3028 -0.0645 -0.0606 -0.0482 16 GLY D N 4462 C CA . GLY D 17 ? 0.7471 1.3341 0.3080 -0.1045 -0.0809 -0.0631 16 GLY D CA 4463 C C . GLY D 17 ? 0.7751 1.3008 0.3120 -0.1460 -0.0796 -0.1055 16 GLY D C 4464 O O . GLY D 17 ? 0.7921 1.3514 0.3194 -0.1841 -0.0956 -0.1183 16 GLY D O 4465 N N . GLY D 18 ? 0.7866 1.2233 0.3114 -0.1385 -0.0594 -0.1256 17 GLY D N 4466 C CA . GLY D 18 ? 0.8245 1.1863 0.3210 -0.1684 -0.0529 -0.1639 17 GLY D CA 4467 C C . GLY D 18 ? 0.7891 1.1169 0.3245 -0.1702 -0.0539 -0.1659 17 GLY D C 4468 O O . GLY D 18 ? 0.7275 1.0713 0.3146 -0.1409 -0.0539 -0.1403 17 GLY D O 4469 N N . LYS D 19 ? 0.8335 1.1094 0.3377 -0.2057 -0.0538 -0.1965 18 LYS D N 4470 C CA . LYS D 19 ? 0.8129 1.0443 0.3452 -0.2095 -0.0521 -0.2011 18 LYS D CA 4471 C C . LYS D 19 ? 0.8021 0.9502 0.3472 -0.1760 -0.0290 -0.2061 18 LYS D C 4472 O O . LYS D 19 ? 0.8494 0.9407 0.3541 -0.1723 -0.0126 -0.2260 18 LYS D O 4473 C CB . LYS D 19 ? 0.8754 1.0789 0.3628 -0.2636 -0.0602 -0.2295 18 LYS D CB 4474 C CG . LYS D 19 ? 0.8806 1.0046 0.3768 -0.2675 -0.0510 -0.2411 18 LYS D CG 4475 C CD . LYS D 19 ? 0.9428 1.0564 0.4029 -0.3259 -0.0629 -0.2602 18 LYS D CD 4476 C CE . LYS D 19 ? 0.8867 1.0863 0.3990 -0.3368 -0.0821 -0.2359 18 LYS D CE 4477 N NZ . LYS D 19 ? 0.9450 1.1351 0.4266 -0.3972 -0.0925 -0.2519 18 LYS D NZ 4478 N N . VAL D 20 ? 0.7418 0.8887 0.3417 -0.1508 -0.0274 -0.1873 19 VAL D N 4479 C CA . VAL D 20 ? 0.7259 0.8117 0.3461 -0.1207 -0.0085 -0.1875 19 VAL D CA 4480 C C . VAL D 20 ? 0.7098 0.7619 0.3544 -0.1254 -0.0099 -0.1897 19 VAL D C 4481 O O . VAL D 20 ? 0.6624 0.7535 0.3472 -0.1222 -0.0211 -0.1717 19 VAL D O 4482 C CB . VAL D 20 ? 0.6734 0.7888 0.3344 -0.0841 -0.0032 -0.1600 19 VAL D CB 4483 C CG1 . VAL D 20 ? 0.6529 0.7193 0.3377 -0.0593 0.0138 -0.1590 19 VAL D CG1 4484 C CG2 . VAL D 20 ? 0.6938 0.8398 0.3286 -0.0782 0.0000 -0.1551 19 VAL D CG2 4485 N N . THR D 21 ? 0.7555 0.7327 0.3720 -0.1298 0.0032 -0.2106 20 THR D N 4486 C CA . THR D 21 ? 0.7494 0.6869 0.3816 -0.1340 0.0038 -0.2124 20 THR D CA 4487 C C . THR D 21 ? 0.7282 0.6252 0.3859 -0.0964 0.0211 -0.2059 20 THR D C 4488 O O . THR D 21 ? 0.7691 0.6185 0.3986 -0.0803 0.0395 -0.2175 20 THR D O 4489 C CB . THR D 21 ? 0.8288 0.7090 0.4043 -0.1738 0.0036 -0.2385 20 THR D CB 4490 O OG1 . THR D 21 ? 0.8314 0.6600 0.4174 -0.1719 0.0089 -0.2384 20 THR D OG1 4491 C CG2 . THR D 21 ? 0.9143 0.7308 0.4242 -0.1751 0.0207 -0.2638 20 THR D CG2 4492 N N . LEU D 22 ? 0.6666 0.5888 0.3762 -0.0819 0.0156 -0.1864 21 LEU D N 4493 C CA . LEU D 22 ? 0.6455 0.5428 0.3831 -0.0520 0.0282 -0.1780 21 LEU D CA 4494 C C . LEU D 22 ? 0.6611 0.5156 0.3986 -0.0585 0.0286 -0.1820 21 LEU D C 4495 O O . LEU D 22 ? 0.6389 0.5138 0.3926 -0.0765 0.0148 -0.1765 21 LEU D O 4496 C CB . LEU D 22 ? 0.5766 0.5232 0.3645 -0.0340 0.0230 -0.1549 21 LEU D CB 4497 C CG . LEU D 22 ? 0.5606 0.5492 0.3523 -0.0268 0.0222 -0.1442 21 LEU D CG 4498 C CD1 . LEU D 22 ? 0.5111 0.5242 0.3444 -0.0119 0.0201 -0.1232 21 LEU D CD1 4499 C CD2 . LEU D 22 ? 0.5913 0.5657 0.3570 -0.0153 0.0383 -0.1520 21 LEU D CD2 4500 N N . SER D 23 ? 0.7058 0.5028 0.4235 -0.0408 0.0460 -0.1895 22 SER D N 4501 C CA . SER D 23 ? 0.7401 0.4833 0.4467 -0.0441 0.0498 -0.1925 22 SER D CA 4502 C C . SER D 23 ? 0.6995 0.4534 0.4503 -0.0134 0.0544 -0.1738 22 SER D C 4503 O O . SER D 23 ? 0.6725 0.4578 0.4498 0.0130 0.0612 -0.1633 22 SER D O 4504 C CB . SER D 23 ? 0.8356 0.4937 0.4774 -0.0437 0.0683 -0.2132 22 SER D CB 4505 O OG . SER D 23 ? 0.8903 0.5397 0.4850 -0.0756 0.0641 -0.2330 22 SER D OG 4506 N N . CYS D 24 ? 0.7012 0.4335 0.4581 -0.0205 0.0501 -0.1690 23 CYS D N 4507 C CA . CYS D 24 ? 0.6683 0.4095 0.4608 0.0051 0.0531 -0.1517 23 CYS D CA 4508 C C . CYS D 24 ? 0.7243 0.3966 0.4870 0.0067 0.0621 -0.1534 23 CYS D C 4509 O O . CYS D 24 ? 0.7609 0.3982 0.4938 -0.0250 0.0567 -0.1631 23 CYS D O 4510 C CB . CYS D 24 ? 0.5984 0.3992 0.4372 -0.0050 0.0352 -0.1381 23 CYS D CB 4511 S SG . CYS D 24 ? 0.5742 0.3938 0.4534 0.0182 0.0351 -0.1183 23 CYS D SG 4512 N N . ASN D 25 ? 0.7349 0.3912 0.5047 0.0433 0.0761 -0.1419 24 ASN D N 4513 C CA . ASN D 25 ? 0.7976 0.3810 0.5343 0.0544 0.0886 -0.1394 24 ASN D CA 4514 C C . ASN D 25 ? 0.7642 0.3771 0.5400 0.0843 0.0891 -0.1150 24 ASN D C 4515 O O . ASN D 25 ? 0.7302 0.3962 0.5406 0.1141 0.0929 -0.1022 24 ASN D O 4516 C CB . ASN D 25 ? 0.8895 0.3958 0.5678 0.0765 0.1135 -0.1526 24 ASN D CB 4517 C CG . ASN D 25 ? 0.9774 0.3894 0.6091 0.0910 0.1303 -0.1497 24 ASN D CG 4518 O OD1 . ASN D 25 ? 0.9759 0.3927 0.6260 0.1308 0.1397 -0.1287 24 ASN D OD1 4519 N ND2 . ASN D 25 ? 1.0501 0.3754 0.6173 0.0574 0.1345 -0.1696 24 ASN D ND2 4520 N N . GLN D 26 ? 0.7772 0.3606 0.5462 0.0731 0.0848 -0.1078 25 GLN D N 4521 C CA . GLN D 26 ? 0.7597 0.3616 0.5550 0.1011 0.0863 -0.0842 25 GLN D CA 4522 C C . GLN D 26 ? 0.8434 0.3566 0.5918 0.1047 0.0985 -0.0797 25 GLN D C 4523 O O . GLN D 26 ? 0.8774 0.3425 0.5936 0.0663 0.0940 -0.0910 25 GLN D O 4524 C CB . GLN D 26 ? 0.6731 0.3538 0.5212 0.0835 0.0642 -0.0737 25 GLN D CB 4525 C CG . GLN D 26 ? 0.6588 0.3358 0.5017 0.0401 0.0493 -0.0820 25 GLN D CG 4526 C CD . GLN D 26 ? 0.6865 0.3329 0.5187 0.0341 0.0487 -0.0697 25 GLN D CD 4527 O OE1 . GLN D 26 ? 0.6894 0.3402 0.5327 0.0627 0.0535 -0.0513 25 GLN D OE1 4528 N NE2 . GLN D 26 ? 0.7038 0.3264 0.5148 -0.0043 0.0423 -0.0779 25 GLN D NE2 4529 N N . THR D 27 ? 0.8811 0.3746 0.6237 0.1510 0.1149 -0.0614 26 THR D N 4530 C CA . THR D 27 ? 0.9727 0.3729 0.6656 0.1629 0.1303 -0.0526 26 THR D CA 4531 C C . THR D 27 ? 0.9373 0.3783 0.6638 0.1724 0.1207 -0.0256 26 THR D C 4532 O O . THR D 27 ? 1.0066 0.3881 0.7021 0.1979 0.1349 -0.0083 26 THR D O 4533 C CB . THR D 27 ? 1.0635 0.3971 0.7127 0.2164 0.1605 -0.0484 26 THR D CB 4534 O OG1 . THR D 27 ? 1.0143 0.4374 0.7147 0.2641 0.1629 -0.0264 26 THR D OG1 4535 C CG2 . THR D 27 ? 1.1151 0.3942 0.7180 0.2045 0.1721 -0.0779 26 THR D CG2 4536 N N . ASN D 28 ? 0.8368 0.3745 0.6211 0.1520 0.0974 -0.0222 27 ASN D N 4537 C CA . ASN D 28 ? 0.7958 0.3861 0.6144 0.1572 0.0856 0.0006 27 ASN D CA 4538 C C . ASN D 28 ? 0.8083 0.3655 0.6099 0.1189 0.0768 0.0002 27 ASN D C 4539 O O . ASN D 28 ? 0.7794 0.3759 0.6037 0.1193 0.0672 0.0179 27 ASN D O 4540 C CB . ASN D 28 ? 0.6959 0.3969 0.5757 0.1521 0.0669 0.0027 27 ASN D CB 4541 C CG . ASN D 28 ? 0.6830 0.4293 0.5835 0.1851 0.0750 0.0066 27 ASN D CG 4542 O OD1 . ASN D 28 ? 0.7226 0.4649 0.6169 0.2287 0.0902 0.0248 27 ASN D OD1 4543 N ND2 . ASN D 28 ? 0.6238 0.4167 0.5483 0.1660 0.0659 -0.0079 27 ASN D ND2 4544 N N . ASN D 29 ? 0.8549 0.3448 0.6148 0.0839 0.0803 -0.0195 28 ASN D N 4545 C CA . ASN D 29 ? 0.8723 0.3350 0.6134 0.0399 0.0728 -0.0211 28 ASN D CA 4546 C C . ASN D 29 ? 0.7772 0.3344 0.5691 0.0137 0.0501 -0.0209 28 ASN D C 4547 O O . ASN D 29 ? 0.7785 0.3398 0.5686 -0.0121 0.0434 -0.0139 28 ASN D O 4548 C CB . ASN D 29 ? 0.9460 0.3420 0.6529 0.0546 0.0854 0.0010 28 ASN D CB 4549 C CG . ASN D 29 ? 1.0019 0.3361 0.6669 0.0045 0.0853 -0.0036 28 ASN D CG 4550 O OD1 . ASN D 29 ? 0.9903 0.3314 0.6492 -0.0414 0.0765 -0.0242 28 ASN D OD1 4551 N ND2 . ASN D 29 ? 1.0653 0.3436 0.7007 0.0123 0.0953 0.0178 28 ASN D ND2 4552 N N . HIS D 30 ? 0.7040 0.3330 0.5368 0.0216 0.0403 -0.0282 29 HIS D N 4553 C CA . HIS D 30 ? 0.6247 0.3331 0.4985 0.0029 0.0221 -0.0298 29 HIS D CA 4554 C C . HIS D 30 ? 0.6245 0.3331 0.4867 -0.0392 0.0151 -0.0446 29 HIS D C 4555 O O . HIS D 30 ? 0.6510 0.3317 0.4907 -0.0530 0.0187 -0.0607 29 HIS D O 4556 C CB . HIS D 30 ? 0.5644 0.3328 0.4742 0.0209 0.0166 -0.0339 29 HIS D CB 4557 C CG . HIS D 30 ? 0.5464 0.3486 0.4793 0.0535 0.0176 -0.0164 29 HIS D CG 4558 N ND1 . HIS D 30 ? 0.4905 0.3547 0.4569 0.0623 0.0107 -0.0165 29 HIS D ND1 4559 C CD2 . HIS D 30 ? 0.5771 0.3650 0.5032 0.0774 0.0242 0.0033 29 HIS D CD2 4560 C CE1 . HIS D 30 ? 0.4880 0.3822 0.4694 0.0868 0.0116 0.0015 29 HIS D CE1 4561 N NE2 . HIS D 30 ? 0.5406 0.3923 0.4994 0.0995 0.0196 0.0149 29 HIS D NE2 4562 N N . ASN D 31 ? 0.5981 0.3442 0.4746 -0.0592 0.0053 -0.0379 30 ASN D N 4563 C CA . ASN D 31 ? 0.5940 0.3615 0.4659 -0.0977 -0.0020 -0.0468 30 ASN D CA 4564 C C . ASN D 31 ? 0.5385 0.3636 0.4354 -0.0982 -0.0107 -0.0584 30 ASN D C 4565 O O . ASN D 31 ? 0.5462 0.3838 0.4333 -0.1248 -0.0147 -0.0682 30 ASN D O 4566 C CB . ASN D 31 ? 0.5785 0.3814 0.4618 -0.1126 -0.0079 -0.0334 30 ASN D CB 4567 C CG . ASN D 31 ? 0.6495 0.3916 0.4973 -0.1303 0.0004 -0.0228 30 ASN D CG 4568 O OD1 . ASN D 31 ? 0.7252 0.3884 0.5349 -0.1295 0.0119 -0.0258 30 ASN D OD1 4569 N ND2 . ASN D 31 ? 0.6410 0.4149 0.4964 -0.1456 -0.0034 -0.0097 30 ASN D ND2 4570 N N . ASN D 32 ? 0.4874 0.3473 0.4133 -0.0702 -0.0136 -0.0559 31 ASN D N 4571 C CA . ASN D 32 ? 0.4371 0.3498 0.3856 -0.0679 -0.0211 -0.0621 31 ASN D CA 4572 C C . ASN D 32 ? 0.4295 0.3365 0.3813 -0.0511 -0.0179 -0.0702 31 ASN D C 4573 O O . ASN D 32 ? 0.4297 0.3227 0.3862 -0.0298 -0.0126 -0.0661 31 ASN D O 4574 C CB . ASN D 32 ? 0.3958 0.3519 0.3685 -0.0566 -0.0269 -0.0535 31 ASN D CB 4575 C CG . ASN D 32 ? 0.4007 0.3636 0.3696 -0.0692 -0.0281 -0.0432 31 ASN D CG 4576 O OD1 . ASN D 32 ? 0.4206 0.3913 0.3800 -0.0933 -0.0291 -0.0432 31 ASN D OD1 4577 N ND2 . ASN D 32 ? 0.3882 0.3540 0.3638 -0.0555 -0.0283 -0.0333 31 ASN D ND2 4578 N N . MET D 33 ? 0.4244 0.3496 0.3739 -0.0607 -0.0209 -0.0793 32 MET D N 4579 C CA . MET D 33 ? 0.4216 0.3436 0.3706 -0.0483 -0.0173 -0.0866 32 MET D CA 4580 C C . MET D 33 ? 0.3906 0.3576 0.3530 -0.0480 -0.0237 -0.0873 32 MET D C 4581 O O . MET D 33 ? 0.3854 0.3831 0.3491 -0.0607 -0.0298 -0.0855 32 MET D O 4582 C CB . MET D 33 ? 0.4694 0.3467 0.3855 -0.0589 -0.0101 -0.0981 32 MET D CB 4583 C CG . MET D 33 ? 0.5173 0.3346 0.4105 -0.0535 0.0003 -0.0963 32 MET D CG 4584 S SD . MET D 33 ? 0.6069 0.3520 0.4481 -0.0612 0.0135 -0.1129 32 MET D SD 4585 C CE . MET D 33 ? 0.5829 0.3424 0.4378 -0.0259 0.0221 -0.1142 32 MET D CE 4586 N N . TYR D 34 ? 0.3766 0.3492 0.3474 -0.0322 -0.0211 -0.0877 33 TYR D N 4587 C CA . TYR D 34 ? 0.3541 0.3576 0.3337 -0.0262 -0.0246 -0.0849 33 TYR D CA 4588 C C . TYR D 34 ? 0.3593 0.3587 0.3329 -0.0199 -0.0199 -0.0886 33 TYR D C 4589 O O . TYR D 34 ? 0.3707 0.3530 0.3456 -0.0122 -0.0135 -0.0898 33 TYR D O 4590 C CB . TYR D 34 ? 0.3372 0.3482 0.3313 -0.0152 -0.0257 -0.0781 33 TYR D CB 4591 C CG . TYR D 34 ? 0.3339 0.3466 0.3332 -0.0184 -0.0286 -0.0739 33 TYR D CG 4592 C CD1 . TYR D 34 ? 0.3424 0.3375 0.3442 -0.0171 -0.0267 -0.0714 33 TYR D CD1 4593 C CD2 . TYR D 34 ? 0.3326 0.3681 0.3330 -0.0192 -0.0319 -0.0701 33 TYR D CD2 4594 C CE1 . TYR D 34 ? 0.3469 0.3446 0.3510 -0.0197 -0.0292 -0.0654 33 TYR D CE1 4595 C CE2 . TYR D 34 ? 0.3336 0.3736 0.3369 -0.0224 -0.0336 -0.0655 33 TYR D CE2 4596 C CZ . TYR D 34 ? 0.3372 0.3570 0.3419 -0.0242 -0.0329 -0.0633 33 TYR D CZ 4597 O OH . TYR D 34 ? 0.3410 0.3660 0.3464 -0.0270 -0.0345 -0.0567 33 TYR D OH 4598 N N . TRP D 35 ? 0.3558 0.3771 0.3233 -0.0210 -0.0225 -0.0880 34 TRP D N 4599 C CA . TRP D 35 ? 0.3597 0.3807 0.3191 -0.0151 -0.0180 -0.0892 34 TRP D CA 4600 C C . TRP D 35 ? 0.3491 0.3808 0.3136 -0.0024 -0.0171 -0.0792 34 TRP D C 4601 O O . TRP D 35 ? 0.3473 0.3992 0.3099 0.0028 -0.0207 -0.0724 34 TRP D O 4602 C CB . TRP D 35 ? 0.3799 0.4143 0.3198 -0.0272 -0.0208 -0.0953 34 TRP D CB 4603 C CG . TRP D 35 ? 0.4087 0.4119 0.3276 -0.0370 -0.0152 -0.1087 34 TRP D CG 4604 C CD1 . TRP D 35 ? 0.4362 0.4221 0.3345 -0.0578 -0.0172 -0.1188 34 TRP D CD1 4605 C CD2 . TRP D 35 ? 0.4228 0.4038 0.3331 -0.0262 -0.0046 -0.1133 34 TRP D CD2 4606 N NE1 . TRP D 35 ? 0.4722 0.4155 0.3441 -0.0582 -0.0072 -0.1312 34 TRP D NE1 4607 C CE2 . TRP D 35 ? 0.4640 0.4086 0.3452 -0.0362 0.0009 -0.1274 34 TRP D CE2 4608 C CE3 . TRP D 35 ? 0.4101 0.3980 0.3317 -0.0104 0.0019 -0.1063 34 TRP D CE3 4609 C CZ2 . TRP D 35 ? 0.4987 0.4148 0.3620 -0.0240 0.0144 -0.1347 34 TRP D CZ2 4610 C CZ3 . TRP D 35 ? 0.4318 0.4031 0.3418 -0.0018 0.0138 -0.1119 34 TRP D CZ3 4611 C CH2 . TRP D 35 ? 0.4745 0.4108 0.3557 -0.0053 0.0206 -0.1260 34 TRP D CH2 4612 N N . TYR D 36 ? 0.3473 0.3650 0.3153 0.0025 -0.0110 -0.0771 35 TYR D N 4613 C CA . TYR D 36 ? 0.3496 0.3621 0.3138 0.0093 -0.0079 -0.0682 35 TYR D CA 4614 C C . TYR D 36 ? 0.3626 0.3757 0.3163 0.0111 -0.0017 -0.0649 35 TYR D C 4615 O O . TYR D 36 ? 0.3665 0.3837 0.3195 0.0080 0.0017 -0.0709 35 TYR D O 4616 C CB . TYR D 36 ? 0.3470 0.3451 0.3206 0.0052 -0.0063 -0.0668 35 TYR D CB 4617 C CG . TYR D 36 ? 0.3375 0.3339 0.3183 0.0037 -0.0116 -0.0687 35 TYR D CG 4618 C CD1 . TYR D 36 ? 0.3267 0.3291 0.3202 0.0000 -0.0143 -0.0726 35 TYR D CD1 4619 C CD2 . TYR D 36 ? 0.3453 0.3298 0.3154 0.0085 -0.0120 -0.0657 35 TYR D CD2 4620 C CE1 . TYR D 36 ? 0.3243 0.3273 0.3228 -0.0015 -0.0189 -0.0724 35 TYR D CE1 4621 C CE2 . TYR D 36 ? 0.3388 0.3237 0.3126 0.0076 -0.0158 -0.0678 35 TYR D CE2 4622 C CZ . TYR D 36 ? 0.3280 0.3253 0.3175 0.0011 -0.0201 -0.0707 35 TYR D CZ 4623 O OH . TYR D 36 ? 0.3332 0.3332 0.3247 0.0000 -0.0237 -0.0710 35 TYR D OH 4624 N N . ARG D 37 ? 0.3774 0.3819 0.3186 0.0177 0.0016 -0.0547 36 ARG D N 4625 C CA . ARG D 37 ? 0.3949 0.3955 0.3250 0.0174 0.0091 -0.0481 36 ARG D CA 4626 C C . ARG D 37 ? 0.4144 0.3856 0.3368 0.0122 0.0153 -0.0397 36 ARG D C 4627 O O . ARG D 37 ? 0.4271 0.3732 0.3386 0.0166 0.0151 -0.0362 36 ARG D O 4628 C CB . ARG D 37 ? 0.4101 0.4270 0.3226 0.0279 0.0088 -0.0411 36 ARG D CB 4629 C CG . ARG D 37 ? 0.4240 0.4349 0.3228 0.0447 0.0086 -0.0280 36 ARG D CG 4630 C CD . ARG D 37 ? 0.4394 0.4754 0.3211 0.0575 0.0088 -0.0162 36 ARG D CD 4631 N NE . ARG D 37 ? 0.4677 0.4809 0.3311 0.0598 0.0187 -0.0045 36 ARG D NE 4632 C CZ . ARG D 37 ? 0.4889 0.5200 0.3337 0.0714 0.0208 0.0088 36 ARG D CZ 4633 N NH1 . ARG D 37 ? 0.4866 0.5655 0.3299 0.0809 0.0122 0.0118 36 ARG D NH1 4634 N NH2 . ARG D 37 ? 0.5119 0.5179 0.3384 0.0714 0.0310 0.0208 36 ARG D NH2 4635 N N . GLN D 38 ? 0.4224 0.3959 0.3467 0.0013 0.0219 -0.0367 37 GLN D N 4636 C CA . GLN D 38 ? 0.4511 0.3985 0.3649 -0.0134 0.0279 -0.0286 37 GLN D CA 4637 C C . GLN D 38 ? 0.4898 0.4236 0.3802 -0.0130 0.0372 -0.0153 37 GLN D C 4638 O O . GLN D 38 ? 0.4858 0.4473 0.3802 -0.0110 0.0411 -0.0134 37 GLN D O 4639 C CB . GLN D 38 ? 0.4333 0.4045 0.3701 -0.0318 0.0281 -0.0318 37 GLN D CB 4640 C CG . GLN D 38 ? 0.4597 0.4100 0.3849 -0.0574 0.0319 -0.0249 37 GLN D CG 4641 C CD . GLN D 38 ? 0.4409 0.4357 0.3929 -0.0765 0.0311 -0.0243 37 GLN D CD 4642 O OE1 . GLN D 38 ? 0.4244 0.4622 0.3955 -0.0705 0.0358 -0.0215 37 GLN D OE1 4643 N NE2 . GLN D 38 ? 0.4467 0.4350 0.3979 -0.0985 0.0257 -0.0264 37 GLN D NE2 4644 N N . ASP D 39 ? 0.5378 0.4234 0.3987 -0.0138 0.0424 -0.0058 38 ASP D N 4645 C CA . ASP D 39 ? 0.5880 0.4479 0.4195 -0.0137 0.0530 0.0103 38 ASP D CA 4646 C C . ASP D 39 ? 0.6427 0.4481 0.4487 -0.0394 0.0606 0.0158 38 ASP D C 4647 O O . ASP D 39 ? 0.6550 0.4295 0.4541 -0.0478 0.0577 0.0074 38 ASP D O 4648 C CB . ASP D 39 ? 0.6098 0.4544 0.4175 0.0177 0.0544 0.0207 38 ASP D CB 4649 C CG . ASP D 39 ? 0.5735 0.4750 0.4023 0.0348 0.0450 0.0143 38 ASP D CG 4650 O OD1 . ASP D 39 ? 0.5771 0.5114 0.4086 0.0341 0.0459 0.0163 38 ASP D OD1 4651 O OD2 . ASP D 39 ? 0.5526 0.4658 0.3921 0.0461 0.0371 0.0068 38 ASP D OD2 4652 N N . THR D 40 ? 0.6807 0.4732 0.4686 -0.0550 0.0707 0.0294 39 THR D N 4653 C CA . THR D 40 ? 0.7439 0.4838 0.5027 -0.0897 0.0786 0.0350 39 THR D CA 4654 C C . THR D 40 ? 0.8101 0.4607 0.5197 -0.0800 0.0846 0.0369 39 THR D C 4655 O O . THR D 40 ? 0.8312 0.4553 0.5182 -0.0432 0.0895 0.0465 39 THR D O 4656 C CB . THR D 40 ? 0.7817 0.5211 0.5247 -0.1078 0.0903 0.0528 39 THR D CB 4657 O OG1 . THR D 40 ? 0.8207 0.5262 0.5310 -0.0775 0.0984 0.0687 39 THR D OG1 4658 C CG2 . THR D 40 ? 0.7268 0.5557 0.5151 -0.1133 0.0876 0.0508 39 THR D CG2 4659 N N . GLY D 41 ? 0.8482 0.4561 0.5394 -0.1117 0.0846 0.0278 40 GLY D N 4660 C CA . GLY D 41 ? 0.9222 0.4346 0.5588 -0.1045 0.0924 0.0254 40 GLY D CA 4661 C C . GLY D 41 ? 0.8874 0.4095 0.5365 -0.0685 0.0852 0.0135 40 GLY D C 4662 O O . GLY D 41 ? 0.9480 0.3970 0.5521 -0.0491 0.0940 0.0128 40 GLY D O 4663 N N . HIS D 42 ? 0.7970 0.4064 0.5034 -0.0590 0.0712 0.0049 41 HIS D N 4664 C CA . HIS D 42 ? 0.7587 0.3904 0.4830 -0.0305 0.0632 -0.0052 41 HIS D CA 4665 C C . HIS D 42 ? 0.6926 0.3836 0.4618 -0.0504 0.0490 -0.0206 41 HIS D C 4666 O O . HIS D 42 ? 0.6587 0.4000 0.4595 -0.0717 0.0442 -0.0209 41 HIS D O 4667 C CB . HIS D 42 ? 0.7231 0.4003 0.4661 0.0093 0.0611 0.0038 41 HIS D CB 4668 C CG . HIS D 42 ? 0.7934 0.4208 0.4932 0.0436 0.0738 0.0207 41 HIS D CG 4669 N ND1 . HIS D 42 ? 0.8445 0.4457 0.5178 0.0464 0.0842 0.0388 41 HIS D ND1 4670 C CD2 . HIS D 42 ? 0.8269 0.4291 0.5042 0.0804 0.0792 0.0249 41 HIS D CD2 4671 C CE1 . HIS D 42 ? 0.9023 0.4612 0.5375 0.0853 0.0953 0.0545 41 HIS D CE1 4672 N NE2 . HIS D 42 ? 0.8943 0.4552 0.5319 0.1079 0.0930 0.0464 41 HIS D NE2 4673 N N . GLY D 43 ? 0.6785 0.3650 0.4487 -0.0400 0.0440 -0.0315 42 GLY D N 4674 C CA . GLY D 43 ? 0.6146 0.3595 0.4269 -0.0496 0.0308 -0.0427 42 GLY D CA 4675 C C . GLY D 43 ? 0.5520 0.3561 0.4015 -0.0248 0.0248 -0.0408 42 GLY D C 4676 O O . GLY D 43 ? 0.5574 0.3611 0.3988 -0.0011 0.0291 -0.0322 42 GLY D O 4677 N N . LEU D 44 ? 0.4981 0.3517 0.3842 -0.0312 0.0152 -0.0481 43 LEU D N 4678 C CA . LEU D 44 ? 0.4503 0.3469 0.3628 -0.0129 0.0100 -0.0494 43 LEU D CA 4679 C C . LEU D 44 ? 0.4516 0.3420 0.3544 0.0098 0.0089 -0.0495 43 LEU D C 4680 O O . LEU D 44 ? 0.4673 0.3348 0.3569 0.0116 0.0092 -0.0533 43 LEU D O 4681 C CB . LEU D 44 ? 0.4120 0.3475 0.3565 -0.0220 0.0027 -0.0559 43 LEU D CB 4682 C CG . LEU D 44 ? 0.3933 0.3609 0.3576 -0.0288 0.0049 -0.0536 43 LEU D CG 4683 C CD1 . LEU D 44 ? 0.4082 0.3770 0.3704 -0.0520 0.0082 -0.0484 43 LEU D CD1 4684 C CD2 . LEU D 44 ? 0.3647 0.3626 0.3540 -0.0235 0.0001 -0.0582 43 LEU D CD2 4685 N N . ARG D 45 ? 0.4371 0.3530 0.3446 0.0262 0.0082 -0.0448 44 ARG D N 4686 C CA . ARG D 45 ? 0.4371 0.3653 0.3390 0.0483 0.0073 -0.0407 44 ARG D CA 4687 C C . ARG D 45 ? 0.3988 0.3777 0.3253 0.0463 -0.0017 -0.0450 44 ARG D C 4688 O O . ARG D 45 ? 0.3885 0.3883 0.3220 0.0399 -0.0040 -0.0464 44 ARG D O 4689 C CB . ARG D 45 ? 0.4714 0.3867 0.3479 0.0702 0.0154 -0.0264 44 ARG D CB 4690 C CG . ARG D 45 ? 0.5295 0.3774 0.3688 0.0750 0.0273 -0.0210 44 ARG D CG 4691 C CD . ARG D 45 ? 0.5768 0.4084 0.3886 0.0994 0.0369 -0.0031 44 ARG D CD 4692 N NE . ARG D 45 ? 0.5717 0.4262 0.3927 0.0878 0.0350 0.0013 44 ARG D NE 4693 C CZ . ARG D 45 ? 0.6010 0.4525 0.4019 0.1047 0.0415 0.0181 44 ARG D CZ 4694 N NH1 . ARG D 45 ? 0.6477 0.4730 0.4180 0.1379 0.0511 0.0342 44 ARG D NH1 4695 N NH2 . ARG D 45 ? 0.5853 0.4607 0.3943 0.0917 0.0398 0.0200 44 ARG D NH2 4696 N N . LEU D 46 ? 0.3857 0.3801 0.3201 0.0498 -0.0057 -0.0477 45 LEU D N 4697 C CA . LEU D 46 ? 0.3576 0.3932 0.3101 0.0418 -0.0138 -0.0515 45 LEU D CA 4698 C C . LEU D 46 ? 0.3601 0.4375 0.3098 0.0496 -0.0164 -0.0438 45 LEU D C 4699 O O . LEU D 46 ? 0.3741 0.4670 0.3143 0.0715 -0.0129 -0.0317 45 LEU D O 4700 C CB . LEU D 46 ? 0.3491 0.3924 0.3079 0.0431 -0.0159 -0.0530 45 LEU D CB 4701 C CG . LEU D 46 ? 0.3270 0.4010 0.3017 0.0282 -0.0232 -0.0569 45 LEU D CG 4702 C CD1 . LEU D 46 ? 0.3173 0.3703 0.3003 0.0106 -0.0254 -0.0658 45 LEU D CD1 4703 C CD2 . LEU D 46 ? 0.3210 0.4072 0.2971 0.0356 -0.0225 -0.0536 45 LEU D CD2 4704 N N . ILE D 47 ? 0.3509 0.4467 0.3053 0.0325 -0.0217 -0.0503 46 ILE D N 4705 C CA . ILE D 47 ? 0.3556 0.4985 0.3054 0.0313 -0.0269 -0.0452 46 ILE D CA 4706 C C . ILE D 47 ? 0.3466 0.5294 0.3060 0.0147 -0.0351 -0.0480 46 ILE D C 4707 O O . ILE D 47 ? 0.3496 0.5852 0.3124 0.0227 -0.0385 -0.0365 46 ILE D O 4708 C CB . ILE D 47 ? 0.3630 0.5003 0.3026 0.0181 -0.0273 -0.0527 46 ILE D CB 4709 C CG1 . ILE D 47 ? 0.3760 0.4793 0.3069 0.0307 -0.0184 -0.0480 46 ILE D CG1 4710 C CG2 . ILE D 47 ? 0.3764 0.5680 0.3071 0.0131 -0.0345 -0.0478 46 ILE D CG2 4711 C CD1 . ILE D 47 ? 0.3772 0.4661 0.3011 0.0183 -0.0153 -0.0578 46 ILE D CD1 4712 N N . HIS D 48 ? 0.3437 0.5023 0.3058 -0.0079 -0.0371 -0.0613 47 HIS D N 4713 C CA . HIS D 48 ? 0.3427 0.5248 0.3084 -0.0308 -0.0436 -0.0648 47 HIS D CA 4714 C C . HIS D 48 ? 0.3382 0.4750 0.3083 -0.0385 -0.0407 -0.0726 47 HIS D C 4715 O O . HIS D 48 ? 0.3377 0.4319 0.3071 -0.0313 -0.0352 -0.0777 47 HIS D O 4716 C CB . HIS D 48 ? 0.3639 0.5597 0.3128 -0.0588 -0.0494 -0.0739 47 HIS D CB 4717 C CG . HIS D 48 ? 0.3691 0.6321 0.3150 -0.0583 -0.0561 -0.0639 47 HIS D CG 4718 N ND1 . HIS D 48 ? 0.3648 0.6971 0.3228 -0.0606 -0.0623 -0.0510 47 HIS D ND1 4719 C CD2 . HIS D 48 ? 0.3822 0.6621 0.3146 -0.0550 -0.0576 -0.0627 47 HIS D CD2 4720 C CE1 . HIS D 48 ? 0.3736 0.7666 0.3273 -0.0571 -0.0679 -0.0410 47 HIS D CE1 4721 N NE2 . HIS D 48 ? 0.3789 0.7390 0.3157 -0.0543 -0.0655 -0.0482 47 HIS D NE2 4722 N N . TYR D 49 ? 0.3360 0.4888 0.3110 -0.0530 -0.0441 -0.0709 48 TYR D N 4723 C CA . TYR D 49 ? 0.3403 0.4525 0.3157 -0.0615 -0.0417 -0.0755 48 TYR D CA 4724 C C . TYR D 49 ? 0.3634 0.4856 0.3308 -0.0921 -0.0457 -0.0766 48 TYR D C 4725 O O . TYR D 49 ? 0.3695 0.5437 0.3364 -0.1078 -0.0517 -0.0725 48 TYR D O 4726 C CB . TYR D 49 ? 0.3188 0.4251 0.3078 -0.0410 -0.0386 -0.0690 48 TYR D CB 4727 C CG . TYR D 49 ? 0.3040 0.4545 0.3013 -0.0334 -0.0398 -0.0589 48 TYR D CG 4728 C CD1 . TYR D 49 ? 0.2948 0.4787 0.2932 -0.0123 -0.0381 -0.0511 48 TYR D CD1 4729 C CD2 . TYR D 49 ? 0.3023 0.4600 0.3041 -0.0431 -0.0404 -0.0553 48 TYR D CD2 4730 C CE1 . TYR D 49 ? 0.2908 0.5164 0.2945 0.0018 -0.0360 -0.0405 48 TYR D CE1 4731 C CE2 . TYR D 49 ? 0.2889 0.4918 0.2976 -0.0332 -0.0393 -0.0454 48 TYR D CE2 4732 C CZ . TYR D 49 ? 0.2832 0.5206 0.2929 -0.0091 -0.0365 -0.0384 48 TYR D CZ 4733 O OH . TYR D 49 ? 0.2735 0.5565 0.2877 0.0069 -0.0323 -0.0275 48 TYR D OH 4734 N N . SER D 50 ? 0.3817 0.4561 0.3408 -0.1014 -0.0420 -0.0803 49 SER D N 4735 C CA . SER D 50 ? 0.4173 0.4802 0.3588 -0.1350 -0.0435 -0.0822 49 SER D CA 4736 C C . SER D 50 ? 0.4226 0.4558 0.3660 -0.1336 -0.0395 -0.0755 49 SER D C 4737 O O . SER D 50 ? 0.4244 0.4127 0.3668 -0.1145 -0.0336 -0.0760 49 SER D O 4738 C CB . SER D 50 ? 0.4650 0.4756 0.3732 -0.1539 -0.0400 -0.0969 49 SER D CB 4739 O OG . SER D 50 ? 0.5204 0.5020 0.4014 -0.1905 -0.0396 -0.1001 49 SER D OG 4740 N N . TYR D 51 ? 0.4270 0.4929 0.3733 -0.1539 -0.0427 -0.0669 50 TYR D N 4741 C CA . TYR D 51 ? 0.4377 0.4803 0.3830 -0.1555 -0.0390 -0.0579 50 TYR D CA 4742 C C . TYR D 51 ? 0.4995 0.4751 0.4105 -0.1835 -0.0338 -0.0607 50 TYR D C 4743 O O . TYR D 51 ? 0.5184 0.4661 0.4233 -0.1842 -0.0294 -0.0510 50 TYR D O 4744 C CB . TYR D 51 ? 0.4144 0.5248 0.3781 -0.1604 -0.0424 -0.0451 50 TYR D CB 4745 C CG . TYR D 51 ? 0.3741 0.5204 0.3613 -0.1237 -0.0421 -0.0406 50 TYR D CG 4746 C CD1 . TYR D 51 ? 0.3613 0.4715 0.3518 -0.0983 -0.0390 -0.0414 50 TYR D CD1 4747 C CD2 . TYR D 51 ? 0.3520 0.5677 0.3539 -0.1143 -0.0441 -0.0348 50 TYR D CD2 4748 C CE1 . TYR D 51 ? 0.3319 0.4638 0.3342 -0.0710 -0.0381 -0.0401 50 TYR D CE1 4749 C CE2 . TYR D 51 ? 0.3286 0.5603 0.3411 -0.0791 -0.0407 -0.0321 50 TYR D CE2 4750 C CZ . TYR D 51 ? 0.3183 0.5025 0.3280 -0.0609 -0.0379 -0.0365 50 TYR D CZ 4751 O OH . TYR D 51 ? 0.3078 0.4967 0.3185 -0.0326 -0.0340 -0.0365 50 TYR D OH 4752 N N . GLY D 52 ? 0.5391 0.4834 0.4223 -0.2060 -0.0331 -0.0737 51 GLY D N 4753 C CA . GLY D 52 ? 0.6176 0.4799 0.4555 -0.2331 -0.0252 -0.0794 51 GLY D CA 4754 C C . GLY D 52 ? 0.6678 0.5130 0.4707 -0.2701 -0.0272 -0.0960 51 GLY D C 4755 O O . GLY D 52 ? 0.6372 0.5493 0.4557 -0.2769 -0.0367 -0.1003 51 GLY D O 4756 N N . ALA D 53 ? 0.7533 0.5055 0.5036 -0.2936 -0.0173 -0.1049 52 ALA D N 4757 C CA . ALA D 53 ? 0.8202 0.5368 0.5233 -0.3325 -0.0173 -0.1248 52 ALA D CA 4758 C C . ALA D 53 ? 0.8121 0.6165 0.5231 -0.3822 -0.0328 -0.1244 52 ALA D C 4759 O O . ALA D 53 ? 0.8035 0.6538 0.5299 -0.4062 -0.0380 -0.1099 52 ALA D O 4760 C CB . ALA D 53 ? 0.9308 0.5215 0.5667 -0.3539 -0.0019 -0.1329 52 ALA D CB 4761 N N . GLY D 54 ? 0.8158 0.6523 0.5179 -0.3954 -0.0400 -0.1383 53 GLY D N 4762 C CA . GLY D 54 ? 0.8196 0.7456 0.5238 -0.4447 -0.0554 -0.1381 53 GLY D CA 4763 C C . GLY D 54 ? 0.7295 0.7869 0.4983 -0.4238 -0.0670 -0.1170 53 GLY D C 4764 O O . GLY D 54 ? 0.7302 0.8725 0.5097 -0.4617 -0.0775 -0.1071 53 GLY D O 4765 N N . SER D 55 ? 0.6606 0.7343 0.4690 -0.3637 -0.0639 -0.1095 54 SER D N 4766 C CA . SER D 55 ? 0.5859 0.7654 0.4470 -0.3346 -0.0708 -0.0907 54 SER D CA 4767 C C . SER D 55 ? 0.5335 0.7119 0.4186 -0.2779 -0.0675 -0.0905 54 SER D C 4768 O O . SER D 55 ? 0.5344 0.6382 0.4136 -0.2509 -0.0581 -0.0968 54 SER D O 4769 C CB . SER D 55 ? 0.5679 0.7625 0.4510 -0.3294 -0.0674 -0.0742 54 SER D CB 4770 O OG . SER D 55 ? 0.5777 0.6849 0.4547 -0.3015 -0.0566 -0.0763 54 SER D OG 4771 N N . THR D 56 ? 0.4930 0.7566 0.4030 -0.2606 -0.0745 -0.0813 55 THR D N 4772 C CA . THR D 56 ? 0.4504 0.7151 0.3799 -0.2103 -0.0708 -0.0783 55 THR D CA 4773 C C . THR D 56 ? 0.4067 0.7554 0.3704 -0.1807 -0.0727 -0.0584 55 THR D C 4774 O O . THR D 56 ? 0.4055 0.8363 0.3792 -0.1987 -0.0793 -0.0467 55 THR D O 4775 C CB . THR D 56 ? 0.4644 0.7278 0.3757 -0.2114 -0.0736 -0.0885 55 THR D CB 4776 O OG1 . THR D 56 ? 0.4789 0.8273 0.3876 -0.2396 -0.0852 -0.0831 55 THR D OG1 4777 C CG2 . THR D 56 ? 0.5139 0.6842 0.3859 -0.2311 -0.0675 -0.1096 55 THR D CG2 4778 N N . GLU D 57 ? 0.3766 0.7040 0.3548 -0.1358 -0.0657 -0.0541 56 GLU D N 4779 C CA . GLU D 57 ? 0.3496 0.7350 0.3498 -0.1000 -0.0632 -0.0371 56 GLU D CA 4780 C C . GLU D 57 ? 0.3398 0.7101 0.3388 -0.0624 -0.0588 -0.0352 56 GLU D C 4781 O O . GLU D 57 ? 0.3426 0.6459 0.3320 -0.0568 -0.0549 -0.0464 56 GLU D O 4782 C CB . GLU D 57 ? 0.3375 0.7022 0.3482 -0.0855 -0.0564 -0.0329 56 GLU D CB 4783 C CG . GLU D 57 ? 0.3493 0.7414 0.3629 -0.1185 -0.0591 -0.0285 56 GLU D CG 4784 C CD . GLU D 57 ? 0.3564 0.8554 0.3838 -0.1283 -0.0639 -0.0124 56 GLU D CD 4785 O OE1 . GLU D 57 ? 0.3445 0.8997 0.3837 -0.0933 -0.0617 0.0000 56 GLU D OE1 4786 O OE2 . GLU D 57 ? 0.3762 0.9049 0.4010 -0.1710 -0.0689 -0.0102 56 GLU D OE2 4787 N N . LYS D 58 ? 0.3352 0.7699 0.3427 -0.0356 -0.0581 -0.0187 57 LYS D N 4788 C CA . LYS D 58 ? 0.3372 0.7553 0.3379 0.0013 -0.0522 -0.0130 57 LYS D CA 4789 C C . LYS D 58 ? 0.3358 0.6845 0.3325 0.0305 -0.0410 -0.0157 57 LYS D C 4790 O O . LYS D 58 ? 0.3321 0.6811 0.3342 0.0424 -0.0358 -0.0121 57 LYS D O 4791 C CB . LYS D 58 ? 0.3389 0.8435 0.3458 0.0276 -0.0525 0.0091 57 LYS D CB 4792 C CG . LYS D 58 ? 0.3531 0.9268 0.3581 0.0007 -0.0650 0.0123 57 LYS D CG 4793 C CD . LYS D 58 ? 0.3633 1.0350 0.3770 0.0329 -0.0651 0.0391 57 LYS D CD 4794 C CE . LYS D 58 ? 0.3749 1.1379 0.3897 -0.0028 -0.0807 0.0435 57 LYS D CE 4795 N NZ . LYS D 58 ? 0.3866 1.2750 0.4195 0.0228 -0.0824 0.0736 57 LYS D NZ 4796 N N . GLY D 59 ? 0.3437 0.6357 0.3284 0.0385 -0.0372 -0.0222 58 GLY D N 4797 C CA . GLY D 59 ? 0.3527 0.5808 0.3285 0.0599 -0.0274 -0.0246 58 GLY D CA 4798 C C . GLY D 59 ? 0.3770 0.6059 0.3383 0.0989 -0.0177 -0.0096 58 GLY D C 4799 O O . GLY D 59 ? 0.3837 0.6739 0.3480 0.1181 -0.0172 0.0059 58 GLY D O 4800 N N . ASP D 60 ? 0.3977 0.5594 0.3408 0.1106 -0.0092 -0.0126 59 ASP D N 4801 C CA . ASP D 60 ? 0.4371 0.5748 0.3549 0.1480 0.0033 0.0011 59 ASP D CA 4802 C C . ASP D 60 ? 0.4481 0.6087 0.3582 0.1603 0.0033 0.0147 59 ASP D C 4803 O O . ASP D 60 ? 0.4752 0.6572 0.3718 0.1966 0.0110 0.0338 59 ASP D O 4804 C CB . ASP D 60 ? 0.4672 0.5174 0.3608 0.1481 0.0127 -0.0077 59 ASP D CB 4805 C CG . ASP D 60 ? 0.4769 0.5070 0.3691 0.1444 0.0147 -0.0177 59 ASP D CG 4806 O OD1 . ASP D 60 ? 0.4941 0.5612 0.3889 0.1637 0.0177 -0.0110 59 ASP D OD1 4807 O OD2 . ASP D 60 ? 0.4807 0.4644 0.3688 0.1223 0.0133 -0.0310 59 ASP D OD2 4808 N N . ILE D 61 ? 0.4321 0.5896 0.3485 0.1334 -0.0042 0.0060 60 ILE D N 4809 C CA . ILE D 61 ? 0.4442 0.6246 0.3513 0.1403 -0.0052 0.0173 60 ILE D CA 4810 C C . ILE D 61 ? 0.4181 0.6565 0.3409 0.1101 -0.0193 0.0095 60 ILE D C 4811 O O . ILE D 61 ? 0.4152 0.6322 0.3338 0.0897 -0.0215 -0.0011 60 ILE D O 4812 C CB . ILE D 61 ? 0.4669 0.5782 0.3534 0.1390 0.0031 0.0159 60 ILE D CB 4813 C CG1 . ILE D 61 ? 0.4455 0.5152 0.3427 0.1073 0.0009 -0.0047 60 ILE D CG1 4814 C CG2 . ILE D 61 ? 0.5170 0.5730 0.3731 0.1720 0.0186 0.0297 60 ILE D CG2 4815 C CD1 . ILE D 61 ? 0.4527 0.4953 0.3423 0.0934 0.0038 -0.0075 60 ILE D CD1 4816 N N . PRO D 62 ? 0.4061 0.7184 0.3429 0.1059 -0.0278 0.0149 61 PRO D N 4817 C CA . PRO D 62 ? 0.3915 0.7473 0.3356 0.0677 -0.0412 0.0034 61 PRO D CA 4818 C C . PRO D 62 ? 0.4050 0.8132 0.3376 0.0659 -0.0477 0.0124 61 PRO D C 4819 O O . PRO D 62 ? 0.4048 0.8229 0.3309 0.0312 -0.0564 -0.0022 61 PRO D O 4820 C CB . PRO D 62 ? 0.3780 0.7930 0.3400 0.0585 -0.0473 0.0069 61 PRO D CB 4821 C CG . PRO D 62 ? 0.3877 0.8258 0.3514 0.1044 -0.0377 0.0288 61 PRO D CG 4822 C CD . PRO D 62 ? 0.4129 0.7753 0.3557 0.1354 -0.0244 0.0329 61 PRO D CD 4823 N N . ASP D 63 ? 0.4234 0.8604 0.3486 0.1040 -0.0425 0.0365 62 ASP D N 4824 C CA . ASP D 63 ? 0.4417 0.9433 0.3562 0.1070 -0.0495 0.0504 62 ASP D CA 4825 C C . ASP D 63 ? 0.4483 0.9139 0.3444 0.0830 -0.0515 0.0354 62 ASP D C 4826 O O . ASP D 63 ? 0.4517 0.8390 0.3388 0.0878 -0.0411 0.0279 62 ASP D O 4827 C CB . ASP D 63 ? 0.4693 0.9907 0.3739 0.1610 -0.0394 0.0822 62 ASP D CB 4828 C CG . ASP D 63 ? 0.4757 1.0690 0.3966 0.1882 -0.0388 0.1018 62 ASP D CG 4829 O OD1 . ASP D 63 ? 0.5076 1.1541 0.4217 0.2308 -0.0342 0.1317 62 ASP D OD1 4830 O OD2 . ASP D 63 ? 0.4640 1.0639 0.4036 0.1697 -0.0416 0.0896 62 ASP D OD2 4831 N N . GLY D 64 ? 0.4549 0.9826 0.3435 0.0553 -0.0646 0.0311 63 GLY D N 4832 C CA . GLY D 64 ? 0.4700 0.9705 0.3355 0.0318 -0.0661 0.0152 63 GLY D CA 4833 C C . GLY D 64 ? 0.4663 0.9196 0.3271 -0.0105 -0.0685 -0.0169 63 GLY D C 4834 O O . GLY D 64 ? 0.4878 0.9284 0.3243 -0.0350 -0.0706 -0.0335 63 GLY D O 4835 N N . TYR D 65 ? 0.4462 0.8703 0.3258 -0.0164 -0.0666 -0.0251 64 TYR D N 4836 C CA . TYR D 65 ? 0.4501 0.8205 0.3235 -0.0499 -0.0662 -0.0519 64 TYR D CA 4837 C C . TYR D 65 ? 0.4511 0.8601 0.3301 -0.0823 -0.0768 -0.0577 64 TYR D C 4838 O O . TYR D 65 ? 0.4337 0.8973 0.3347 -0.0713 -0.0808 -0.0409 64 TYR D O 4839 C CB . TYR D 65 ? 0.4318 0.7265 0.3189 -0.0333 -0.0539 -0.0569 64 TYR D CB 4840 C CG . TYR D 65 ? 0.4321 0.6898 0.3160 -0.0060 -0.0428 -0.0490 64 TYR D CG 4841 C CD1 . TYR D 65 ? 0.4490 0.6658 0.3170 -0.0133 -0.0358 -0.0619 64 TYR D CD1 4842 C CD2 . TYR D 65 ? 0.4256 0.6855 0.3181 0.0264 -0.0373 -0.0283 64 TYR D CD2 4843 C CE1 . TYR D 65 ? 0.4525 0.6417 0.3183 0.0068 -0.0252 -0.0528 64 TYR D CE1 4844 C CE2 . TYR D 65 ? 0.4366 0.6558 0.3206 0.0449 -0.0264 -0.0206 64 TYR D CE2 4845 C CZ . TYR D 65 ? 0.4473 0.6361 0.3204 0.0327 -0.0212 -0.0322 64 TYR D CZ 4846 O OH . TYR D 65 ? 0.4578 0.6130 0.3233 0.0462 -0.0103 -0.0226 64 TYR D OH 4847 N N . LYS D 66 ? 0.4795 0.8566 0.3343 -0.1223 -0.0797 -0.0811 65 LYS D N 4848 C CA . LYS D 66 ? 0.4910 0.8773 0.3436 -0.1607 -0.0868 -0.0902 65 LYS D CA 4849 C C . LYS D 66 ? 0.5017 0.7890 0.3444 -0.1677 -0.0759 -0.1093 65 LYS D C 4850 O O . LYS D 66 ? 0.5172 0.7428 0.3423 -0.1578 -0.0661 -0.1215 65 LYS D O 4851 C CB . LYS D 66 ? 0.5352 0.9666 0.3557 -0.2078 -0.0996 -0.1007 65 LYS D CB 4852 C CG . LYS D 66 ? 0.5520 1.0215 0.3721 -0.2529 -0.1098 -0.1028 65 LYS D CG 4853 N N . ALA D 67 ? 0.4945 0.7714 0.3487 -0.1815 -0.0766 -0.1093 66 ALA D N 4854 C CA . ALA D 67 ? 0.5069 0.6951 0.3528 -0.1827 -0.0659 -0.1224 66 ALA D CA 4855 C C . ALA D 67 ? 0.5590 0.7163 0.3733 -0.2304 -0.0684 -0.1371 66 ALA D C 4856 O O . ALA D 67 ? 0.5704 0.7878 0.3841 -0.2635 -0.0798 -0.1324 66 ALA D O 4857 C CB . ALA D 67 ? 0.4617 0.6464 0.3440 -0.1526 -0.0614 -0.1084 66 ALA D CB 4858 N N . SER D 68 ? 0.5980 0.6619 0.3834 -0.2337 -0.0567 -0.1534 67 SER D N 4859 C CA . SER D 68 ? 0.6657 0.6739 0.4088 -0.2778 -0.0550 -0.1685 67 SER D CA 4860 C C . SER D 68 ? 0.6816 0.6035 0.4198 -0.2619 -0.0409 -0.1699 67 SER D C 4861 O O . SER D 68 ? 0.6778 0.5521 0.4177 -0.2251 -0.0286 -0.1721 67 SER D O 4862 C CB . SER D 68 ? 0.7361 0.7046 0.4218 -0.3061 -0.0529 -0.1916 67 SER D CB 4863 O OG . SER D 68 ? 0.8194 0.7100 0.4527 -0.3482 -0.0476 -0.2085 67 SER D OG 4864 N N . ARG D 69 ? 0.7024 0.6112 0.4349 -0.2897 -0.0428 -0.1661 68 ARG D N 4865 C CA . ARG D 69 ? 0.7286 0.5552 0.4502 -0.2775 -0.0297 -0.1648 68 ARG D CA 4866 C C . ARG D 69 ? 0.8295 0.5755 0.4879 -0.3254 -0.0240 -0.1797 68 ARG D C 4867 O O . ARG D 69 ? 0.8466 0.6011 0.5017 -0.3602 -0.0289 -0.1726 68 ARG D O 4868 C CB . ARG D 69 ? 0.6682 0.5410 0.4379 -0.2617 -0.0340 -0.1433 68 ARG D CB 4869 C CG . ARG D 69 ? 0.6793 0.4820 0.4461 -0.2393 -0.0216 -0.1370 68 ARG D CG 4870 C CD . ARG D 69 ? 0.6379 0.4305 0.4294 -0.1869 -0.0140 -0.1330 68 ARG D CD 4871 N NE . ARG D 69 ? 0.6637 0.3961 0.4493 -0.1650 -0.0024 -0.1253 68 ARG D NE 4872 C CZ . ARG D 69 ? 0.6237 0.3802 0.4402 -0.1505 -0.0049 -0.1087 68 ARG D CZ 4873 N NH1 . ARG D 69 ? 0.5649 0.3977 0.4181 -0.1541 -0.0168 -0.0996 68 ARG D NH1 4874 N NH2 . ARG D 69 ? 0.6490 0.3533 0.4564 -0.1295 0.0055 -0.1001 68 ARG D NH2 4875 N N . PRO D 70 ? 0.9034 0.5667 0.5065 -0.3284 -0.0120 -0.2007 69 PRO D N 4876 C CA . PRO D 70 ? 1.0203 0.5879 0.5481 -0.3760 -0.0040 -0.2188 69 PRO D CA 4877 C C . PRO D 70 ? 1.0683 0.5455 0.5766 -0.3672 0.0108 -0.2105 69 PRO D C 4878 O O . PRO D 70 ? 1.1537 0.5691 0.6111 -0.4156 0.0138 -0.2168 69 PRO D O 4879 C CB . PRO D 70 ? 1.0804 0.5793 0.5568 -0.3630 0.0091 -0.2421 69 PRO D CB 4880 C CG . PRO D 70 ? 0.9874 0.5742 0.5170 -0.3231 0.0021 -0.2350 69 PRO D CG 4881 C CD . PRO D 70 ? 0.8902 0.5401 0.4926 -0.2875 -0.0033 -0.2087 69 PRO D CD 4882 N N . SER D 71 ? 1.0184 0.4908 0.5652 -0.3081 0.0197 -0.1952 70 SER D N 4883 C CA . SER D 71 ? 1.0606 0.4549 0.5926 -0.2883 0.0344 -0.1831 70 SER D CA 4884 C C . SER D 71 ? 0.9662 0.4193 0.5667 -0.2342 0.0326 -0.1601 70 SER D C 4885 O O . SER D 71 ? 0.8804 0.4167 0.5317 -0.2111 0.0229 -0.1564 70 SER D O 4886 C CB . SER D 71 ? 1.1678 0.4332 0.6304 -0.2683 0.0590 -0.1978 70 SER D CB 4887 O OG . SER D 71 ? 1.1289 0.4124 0.6149 -0.2136 0.0667 -0.1988 70 SER D OG 4888 N N . GLN D 72 ? 0.9927 0.3976 0.5886 -0.2162 0.0424 -0.1443 71 GLN D N 4889 C CA . GLN D 72 ? 0.9215 0.3724 0.5722 -0.1677 0.0416 -0.1228 71 GLN D CA 4890 C C . GLN D 72 ? 0.8902 0.3543 0.5607 -0.1180 0.0487 -0.1250 71 GLN D C 4891 O O . GLN D 72 ? 0.8035 0.3460 0.5301 -0.0930 0.0397 -0.1145 71 GLN D O 4892 C CB . GLN D 72 ? 0.9784 0.3587 0.6051 -0.1552 0.0544 -0.1061 71 GLN D CB 4893 C CG . GLN D 72 ? 0.9154 0.3471 0.5941 -0.1110 0.0520 -0.0823 71 GLN D CG 4894 C CD . GLN D 72 ? 0.8520 0.3663 0.5747 -0.1314 0.0347 -0.0699 71 GLN D CD 4895 O OE1 . GLN D 72 ? 0.8343 0.3968 0.5663 -0.1696 0.0223 -0.0781 71 GLN D OE1 4896 N NE2 . GLN D 72 ? 0.8226 0.3585 0.5713 -0.1039 0.0345 -0.0491 71 GLN D NE2 4897 N N . GLU D 73 ? 0.9699 0.3552 0.5899 -0.1063 0.0660 -0.1390 72 GLU D N 4898 C CA . GLU D 73 ? 0.9578 0.3487 0.5896 -0.0566 0.0775 -0.1389 72 GLU D CA 4899 C C . GLU D 73 ? 0.8926 0.3606 0.5563 -0.0600 0.0661 -0.1491 72 GLU D C 4900 O O . GLU D 73 ? 0.8319 0.3560 0.5389 -0.0255 0.0656 -0.1396 72 GLU D O 4901 C CB . GLU D 73 ? 1.0750 0.3513 0.6350 -0.0388 0.1033 -0.1505 72 GLU D CB 4902 C CG . GLU D 73 ? 1.1627 0.3445 0.6797 -0.0295 0.1191 -0.1384 72 GLU D CG 4903 N N . ASN D 74 ? 0.9087 0.3823 0.5495 -0.1034 0.0568 -0.1667 73 ASN D N 4904 C CA . ASN D 74 ? 0.8619 0.3974 0.5211 -0.1056 0.0484 -0.1758 73 ASN D CA 4905 C C . ASN D 74 ? 0.7842 0.4140 0.4869 -0.1310 0.0259 -0.1698 73 ASN D C 4906 O O . ASN D 74 ? 0.7954 0.4365 0.4909 -0.1696 0.0155 -0.1701 73 ASN D O 4907 C CB . ASN D 74 ? 0.9464 0.4212 0.5405 -0.1255 0.0579 -0.2009 73 ASN D CB 4908 C CG . ASN D 74 ? 1.0282 0.4107 0.5764 -0.0889 0.0844 -0.2070 73 ASN D CG 4909 O OD1 . ASN D 74 ? 0.9955 0.4008 0.5720 -0.0413 0.0942 -0.1969 73 ASN D OD1 4910 N ND2 . ASN D 74 ? 1.1469 0.4240 0.6209 -0.1111 0.0975 -0.2228 73 ASN D ND2 4911 N N . PHE D 75 ? 0.7115 0.4083 0.4572 -0.1078 0.0202 -0.1627 74 PHE D N 4912 C CA . PHE D 75 ? 0.6485 0.4278 0.4273 -0.1223 0.0029 -0.1571 74 PHE D CA 4913 C C . PHE D 75 ? 0.6427 0.4455 0.4156 -0.1155 0.0035 -0.1649 74 PHE D C 4914 O O . PHE D 75 ? 0.6387 0.4300 0.4168 -0.0851 0.0143 -0.1641 74 PHE D O 4915 C CB . PHE D 75 ? 0.5749 0.4042 0.4068 -0.0988 -0.0030 -0.1381 74 PHE D CB 4916 C CG . PHE D 75 ? 0.5232 0.4254 0.3826 -0.1105 -0.0177 -0.1299 74 PHE D CG 4917 C CD1 . PHE D 75 ? 0.5381 0.4670 0.3825 -0.1454 -0.0271 -0.1339 74 PHE D CD1 4918 C CD2 . PHE D 75 ? 0.4615 0.4058 0.3589 -0.0863 -0.0212 -0.1170 74 PHE D CD2 4919 C CE1 . PHE D 75 ? 0.4928 0.4977 0.3640 -0.1484 -0.0386 -0.1226 74 PHE D CE1 4920 C CE2 . PHE D 75 ? 0.4236 0.4269 0.3405 -0.0891 -0.0310 -0.1082 74 PHE D CE2 4921 C CZ . PHE D 75 ? 0.4414 0.4792 0.3475 -0.1165 -0.0392 -0.1096 74 PHE D CZ 4922 N N . SER D 76 ? 0.6457 0.4877 0.4072 -0.1443 -0.0078 -0.1707 75 SER D N 4923 C CA . SER D 76 ? 0.6452 0.5117 0.3957 -0.1403 -0.0080 -0.1770 75 SER D CA 4924 C C . SER D 76 ? 0.5848 0.5368 0.3707 -0.1362 -0.0217 -0.1621 75 SER D C 4925 O O . SER D 76 ? 0.5621 0.5611 0.3662 -0.1510 -0.0336 -0.1526 75 SER D O 4926 C CB . SER D 76 ? 0.7222 0.5527 0.4133 -0.1755 -0.0069 -0.1990 75 SER D CB 4927 O OG . SER D 76 ? 0.7912 0.5311 0.4411 -0.1650 0.0119 -0.2134 75 SER D OG 4928 N N . LEU D 77 ? 0.5632 0.5335 0.3563 -0.1134 -0.0178 -0.1583 76 LEU D N 4929 C CA . LEU D 77 ? 0.5244 0.5629 0.3383 -0.1056 -0.0273 -0.1438 76 LEU D CA 4930 C C . LEU D 77 ? 0.5622 0.6189 0.3411 -0.1219 -0.0302 -0.1534 76 LEU D C 4931 O O . LEU D 77 ? 0.5928 0.6131 0.3461 -0.1155 -0.0192 -0.1650 76 LEU D O 4932 C CB . LEU D 77 ? 0.4829 0.5235 0.3258 -0.0709 -0.0200 -0.1301 76 LEU D CB 4933 C CG . LEU D 77 ? 0.4437 0.5356 0.3107 -0.0553 -0.0265 -0.1104 76 LEU D CG 4934 C CD1 . LEU D 77 ? 0.4180 0.5290 0.3092 -0.0546 -0.0332 -0.1009 76 LEU D CD1 4935 C CD2 . LEU D 77 ? 0.4264 0.5039 0.3057 -0.0306 -0.0168 -0.1013 76 LEU D CD2 4936 N N . ILE D 78 ? 0.5625 0.6815 0.3393 -0.1426 -0.0447 -0.1480 77 ILE D N 4937 C CA . ILE D 78 ? 0.6032 0.7511 0.3445 -0.1633 -0.0506 -0.1565 77 ILE D CA 4938 C C . ILE D 78 ? 0.5733 0.7998 0.3336 -0.1437 -0.0585 -0.1341 77 ILE D C 4939 O O . ILE D 78 ? 0.5473 0.8380 0.3334 -0.1407 -0.0691 -0.1158 77 ILE D O 4940 C CB . ILE D 78 ? 0.6525 0.8101 0.3611 -0.2144 -0.0617 -0.1716 77 ILE D CB 4941 C CG1 . ILE D 78 ? 0.7036 0.7652 0.3817 -0.2320 -0.0505 -0.1933 77 ILE D CG1 4942 C CG2 . ILE D 78 ? 0.6901 0.8837 0.3579 -0.2399 -0.0696 -0.1814 77 ILE D CG2 4943 C CD1 . ILE D 78 ? 0.7479 0.8100 0.4046 -0.2824 -0.0602 -0.2020 77 ILE D CD1 4944 N N . LEU D 79 ? 0.5824 0.8023 0.3273 -0.1275 -0.0515 -0.1338 78 LEU D N 4945 C CA . LEU D 79 ? 0.5692 0.8536 0.3207 -0.1086 -0.0568 -0.1122 78 LEU D CA 4946 C C . LEU D 79 ? 0.6164 0.9430 0.3275 -0.1385 -0.0669 -0.1220 78 LEU D C 4947 O O . LEU D 79 ? 0.6519 0.9447 0.3270 -0.1446 -0.0592 -0.1381 78 LEU D O 4948 C CB . LEU D 79 ? 0.5572 0.8093 0.3148 -0.0748 -0.0421 -0.1030 78 LEU D CB 4949 C CG . LEU D 79 ? 0.5198 0.7299 0.3109 -0.0483 -0.0313 -0.0936 78 LEU D CG 4950 C CD1 . LEU D 79 ? 0.5219 0.6682 0.3123 -0.0556 -0.0218 -0.1135 78 LEU D CD1 4951 C CD2 . LEU D 79 ? 0.5176 0.7230 0.3100 -0.0226 -0.0212 -0.0776 78 LEU D CD2 4952 N N . GLU D 80 ? 0.6195 1.0253 0.3353 -0.1576 -0.0839 -0.1120 79 GLU D N 4953 C CA . GLU D 80 ? 0.6679 1.1294 0.3453 -0.1946 -0.0976 -0.1207 79 GLU D CA 4954 C C . GLU D 80 ? 0.6778 1.1754 0.3398 -0.1727 -0.0966 -0.1074 79 GLU D C 4955 O O . GLU D 80 ? 0.7269 1.2017 0.3438 -0.1917 -0.0940 -0.1271 79 GLU D O 4956 C CB . GLU D 80 ? 0.6604 1.2192 0.3551 -0.2178 -0.1168 -0.1066 79 GLU D CB 4957 C CG . GLU D 80 ? 0.6637 1.1944 0.3688 -0.2475 -0.1187 -0.1188 79 GLU D CG 4958 C CD . GLU D 80 ? 0.7393 1.2240 0.3910 -0.3084 -0.1223 -0.1529 79 GLU D CD 4959 O OE1 . GLU D 80 ? 0.7961 1.2744 0.4005 -0.3294 -0.1241 -0.1694 79 GLU D OE1 4960 O OE2 . GLU D 80 ? 0.7479 1.1982 0.3999 -0.3363 -0.1224 -0.1633 79 GLU D OE2 4961 N N . LEU D 81 ? 0.6413 1.1895 0.3358 -0.1312 -0.0969 -0.0735 80 LEU D N 4962 C CA . LEU D 81 ? 0.6513 1.2278 0.3326 -0.1043 -0.0937 -0.0547 80 LEU D CA 4963 C C . LEU D 81 ? 0.6241 1.1382 0.3274 -0.0598 -0.0750 -0.0402 80 LEU D C 4964 O O . LEU D 81 ? 0.5993 1.1297 0.3316 -0.0256 -0.0728 -0.0129 80 LEU D O 4965 C CB . LEU D 81 ? 0.6493 1.3421 0.3392 -0.0938 -0.1094 -0.0233 80 LEU D CB 4966 C CG . LEU D 81 ? 0.6775 1.4558 0.3510 -0.1429 -0.1312 -0.0328 80 LEU D CG 4967 C CD1 . LEU D 81 ? 0.6655 1.5725 0.3611 -0.1217 -0.1452 0.0060 80 LEU D CD1 4968 C CD2 . LEU D 81 ? 0.7335 1.5023 0.3505 -0.1850 -0.1358 -0.0608 80 LEU D CD2 4969 N N . ALA D 82 ? 0.6370 1.0787 0.3227 -0.0617 -0.0606 -0.0588 81 ALA D N 4970 C CA . ALA D 82 ? 0.6148 0.9980 0.3193 -0.0301 -0.0431 -0.0484 81 ALA D CA 4971 C C . ALA D 82 ? 0.6206 1.0315 0.3223 0.0016 -0.0388 -0.0162 81 ALA D C 4972 O O . ALA D 82 ? 0.6523 1.1038 0.3250 -0.0011 -0.0423 -0.0104 81 ALA D O 4973 C CB . ALA D 82 ? 0.6321 0.9492 0.3182 -0.0398 -0.0286 -0.0736 81 ALA D CB 4974 N N . THR D 83 ? 0.5996 0.9839 0.3262 0.0309 -0.0306 0.0049 82 THR D N 4975 C CA . THR D 83 ? 0.6169 1.0054 0.3356 0.0630 -0.0226 0.0371 82 THR D CA 4976 C C . THR D 83 ? 0.6155 0.9285 0.3387 0.0709 -0.0041 0.0380 82 THR D C 4977 O O . THR D 83 ? 0.5929 0.8617 0.3351 0.0589 0.0001 0.0188 82 THR D O 4978 C CB . THR D 83 ? 0.6125 1.0331 0.3460 0.0933 -0.0269 0.0658 82 THR D CB 4979 O OG1 . THR D 83 ? 0.5900 0.9695 0.3512 0.0950 -0.0242 0.0574 82 THR D OG1 4980 C CG2 . THR D 83 ? 0.6157 1.1336 0.3465 0.0866 -0.0455 0.0719 82 THR D CG2 4981 N N . PRO D 84 ? 0.6437 0.9457 0.3483 0.0891 0.0065 0.0620 83 PRO D N 4982 C CA . PRO D 84 ? 0.6492 0.8866 0.3558 0.0913 0.0239 0.0667 83 PRO D CA 4983 C C . PRO D 84 ? 0.6326 0.8191 0.3623 0.0975 0.0282 0.0684 83 PRO D C 4984 O O . PRO D 84 ? 0.6261 0.7678 0.3666 0.0851 0.0377 0.0593 83 PRO D O 4985 C CB . PRO D 84 ? 0.6929 0.9329 0.3711 0.1123 0.0324 0.0998 83 PRO D CB 4986 C CG . PRO D 84 ? 0.7069 1.0200 0.3657 0.1135 0.0201 0.1030 83 PRO D CG 4987 C CD . PRO D 84 ? 0.6772 1.0319 0.3551 0.1053 0.0028 0.0871 83 PRO D CD 4988 N N . SER D 85 ? 0.6287 0.8282 0.3644 0.1167 0.0214 0.0802 84 SER D N 4989 C CA . SER D 85 ? 0.6196 0.7706 0.3699 0.1253 0.0259 0.0814 84 SER D CA 4990 C C . SER D 85 ? 0.5773 0.7178 0.3566 0.1014 0.0202 0.0520 84 SER D C 4991 O O . SER D 85 ? 0.5695 0.6718 0.3611 0.1037 0.0231 0.0493 84 SER D O 4992 C CB . SER D 85 ? 0.6324 0.8094 0.3797 0.1571 0.0217 0.1018 84 SER D CB 4993 O OG . SER D 85 ? 0.5925 0.8266 0.3627 0.1479 0.0064 0.0870 84 SER D OG 4994 N N . GLN D 86 ? 0.5570 0.7274 0.3417 0.0797 0.0133 0.0305 85 GLN D N 4995 C CA . GLN D 86 ? 0.5243 0.6817 0.3307 0.0597 0.0095 0.0045 85 GLN D CA 4996 C C . GLN D 86 ? 0.5205 0.6471 0.3295 0.0463 0.0202 -0.0076 85 GLN D C 4997 O O . GLN D 86 ? 0.5014 0.6161 0.3251 0.0340 0.0197 -0.0270 85 GLN D O 4998 C CB . GLN D 86 ? 0.5176 0.7200 0.3228 0.0446 -0.0040 -0.0114 85 GLN D CB 4999 C CG . GLN D 86 ? 0.5164 0.7628 0.3290 0.0551 -0.0152 0.0008 85 GLN D CG 5000 C CD . GLN D 86 ? 0.5229 0.8241 0.3299 0.0322 -0.0298 -0.0123 85 GLN D CD 5001 O OE1 . GLN D 86 ? 0.5462 0.8749 0.3295 0.0195 -0.0335 -0.0174 85 GLN D OE1 5002 N NE2 . GLN D 86 ? 0.5065 0.8240 0.3317 0.0234 -0.0380 -0.0180 85 GLN D NE2 5003 N N . THR D 87 ? 0.5431 0.6607 0.3369 0.0507 0.0310 0.0062 86 THR D N 5004 C CA . THR D 87 ? 0.5427 0.6390 0.3428 0.0405 0.0433 0.0018 86 THR D CA 5005 C C . THR D 87 ? 0.5281 0.5897 0.3501 0.0360 0.0453 0.0026 86 THR D C 5006 O O . THR D 87 ? 0.5457 0.5790 0.3603 0.0416 0.0481 0.0190 86 THR D O 5007 C CB . THR D 87 ? 0.5761 0.6713 0.3543 0.0437 0.0550 0.0217 86 THR D CB 5008 O OG1 . THR D 87 ? 0.5951 0.7267 0.3493 0.0478 0.0524 0.0212 86 THR D OG1 5009 C CG2 . THR D 87 ? 0.5728 0.6592 0.3615 0.0308 0.0683 0.0194 86 THR D CG2 5010 N N . SER D 88 ? 0.5039 0.5647 0.3477 0.0266 0.0443 -0.0150 87 SER D N 5011 C CA . SER D 88 ? 0.4881 0.5257 0.3533 0.0202 0.0434 -0.0165 87 SER D CA 5012 C C . SER D 88 ? 0.4672 0.5150 0.3539 0.0134 0.0457 -0.0315 87 SER D C 5013 O O . SER D 88 ? 0.4741 0.5379 0.3551 0.0163 0.0502 -0.0414 87 SER D O 5014 C CB . SER D 88 ? 0.4767 0.5054 0.3455 0.0275 0.0327 -0.0182 87 SER D CB 5015 O OG . SER D 88 ? 0.4734 0.4756 0.3549 0.0214 0.0325 -0.0183 87 SER D OG 5016 N N . VAL D 89 ? 0.4497 0.4866 0.3567 0.0064 0.0439 -0.0323 88 VAL D N 5017 C CA . VAL D 89 ? 0.4291 0.4779 0.3575 0.0058 0.0445 -0.0434 88 VAL D CA 5018 C C . VAL D 89 ? 0.4122 0.4485 0.3475 0.0081 0.0333 -0.0530 88 VAL D C 5019 O O . VAL D 89 ? 0.4099 0.4312 0.3463 0.0054 0.0271 -0.0484 88 VAL D O 5020 C CB . VAL D 89 ? 0.4257 0.4864 0.3739 -0.0059 0.0495 -0.0350 88 VAL D CB 5021 C CG1 . VAL D 89 ? 0.4054 0.4867 0.3761 0.0006 0.0507 -0.0423 88 VAL D CG1 5022 C CG2 . VAL D 89 ? 0.4455 0.5241 0.3870 -0.0125 0.0614 -0.0229 88 VAL D CG2 5023 N N . TYR D 90 ? 0.4084 0.4463 0.3434 0.0132 0.0326 -0.0661 89 TYR D N 5024 C CA . TYR D 90 ? 0.3960 0.4230 0.3343 0.0120 0.0229 -0.0744 89 TYR D CA 5025 C C . TYR D 90 ? 0.3890 0.4114 0.3442 0.0148 0.0248 -0.0786 89 TYR D C 5026 O O . TYR D 90 ? 0.4031 0.4250 0.3553 0.0232 0.0342 -0.0833 89 TYR D O 5027 C CB . TYR D 90 ? 0.4111 0.4370 0.3269 0.0098 0.0196 -0.0855 89 TYR D CB 5028 C CG . TYR D 90 ? 0.4182 0.4608 0.3182 0.0092 0.0152 -0.0786 89 TYR D CG 5029 C CD1 . TYR D 90 ? 0.4350 0.4872 0.3193 0.0124 0.0226 -0.0740 89 TYR D CD1 5030 C CD2 . TYR D 90 ? 0.4112 0.4663 0.3116 0.0081 0.0047 -0.0742 89 TYR D CD2 5031 C CE1 . TYR D 90 ? 0.4381 0.5089 0.3062 0.0150 0.0186 -0.0643 89 TYR D CE1 5032 C CE2 . TYR D 90 ? 0.4203 0.4992 0.3067 0.0133 0.0012 -0.0638 89 TYR D CE2 5033 C CZ . TYR D 90 ? 0.4355 0.5206 0.3051 0.0168 0.0077 -0.0585 89 TYR D CZ 5034 O OH . TYR D 90 ? 0.4539 0.5656 0.3083 0.0248 0.0043 -0.0450 89 TYR D OH 5035 N N . PHE D 91 ? 0.3740 0.3930 0.3439 0.0110 0.0172 -0.0757 90 PHE D N 5036 C CA . PHE D 91 ? 0.3691 0.3875 0.3543 0.0147 0.0173 -0.0766 90 PHE D CA 5037 C C . PHE D 91 ? 0.3743 0.3748 0.3534 0.0126 0.0105 -0.0839 90 PHE D C 5038 O O . PHE D 91 ? 0.3685 0.3689 0.3437 0.0057 0.0025 -0.0843 90 PHE D O 5039 C CB . PHE D 91 ? 0.3515 0.3837 0.3556 0.0079 0.0135 -0.0673 90 PHE D CB 5040 C CG . PHE D 91 ? 0.3464 0.4026 0.3592 0.0038 0.0205 -0.0585 90 PHE D CG 5041 C CD1 . PHE D 91 ? 0.3479 0.3992 0.3503 -0.0075 0.0217 -0.0531 90 PHE D CD1 5042 C CD2 . PHE D 91 ? 0.3390 0.4254 0.3694 0.0117 0.0268 -0.0530 90 PHE D CD2 5043 C CE1 . PHE D 91 ? 0.3514 0.4261 0.3603 -0.0175 0.0286 -0.0436 90 PHE D CE1 5044 C CE2 . PHE D 91 ? 0.3364 0.4587 0.3780 0.0047 0.0333 -0.0426 90 PHE D CE2 5045 C CZ . PHE D 91 ? 0.3446 0.4605 0.3752 -0.0133 0.0338 -0.0385 90 PHE D CZ 5046 N N . CYS D 92 ? 0.3937 0.3795 0.3702 0.0200 0.0155 -0.0878 91 CYS D N 5047 C CA . CYS D 92 ? 0.4068 0.3708 0.3760 0.0149 0.0106 -0.0924 91 CYS D CA 5048 C C . CYS D 92 ? 0.3911 0.3607 0.3794 0.0216 0.0088 -0.0834 91 CYS D C 5049 O O . CYS D 92 ? 0.3868 0.3750 0.3900 0.0334 0.0140 -0.0754 91 CYS D O 5050 C CB . CYS D 92 ? 0.4525 0.3799 0.3925 0.0168 0.0192 -0.1035 91 CYS D CB 5051 S SG . CYS D 92 ? 0.5107 0.4021 0.4347 0.0039 0.0150 -0.1077 91 CYS D SG 5052 N N . ALA D 93 ? 0.3837 0.3449 0.3716 0.0133 0.0013 -0.0831 92 ALA D N 5053 C CA . ALA D 93 ? 0.3741 0.3419 0.3764 0.0187 -0.0012 -0.0739 92 ALA D CA 5054 C C . ALA D 93 ? 0.3897 0.3320 0.3796 0.0124 -0.0033 -0.0745 92 ALA D C 5055 O O . ALA D 93 ? 0.3982 0.3303 0.3742 -0.0029 -0.0067 -0.0817 92 ALA D O 5056 C CB . ALA D 93 ? 0.3433 0.3401 0.3625 0.0120 -0.0097 -0.0687 92 ALA D CB 5057 N N . SER D 94 ? 0.3959 0.3334 0.3906 0.0233 -0.0013 -0.0648 93 SER D N 5058 C CA . SER D 94 ? 0.4145 0.3267 0.3966 0.0165 -0.0026 -0.0616 93 SER D CA 5059 C C . SER D 94 ? 0.3961 0.3339 0.3954 0.0219 -0.0086 -0.0484 93 SER D C 5060 O O . SER D 94 ? 0.3773 0.3481 0.3953 0.0328 -0.0103 -0.0413 93 SER D O 5061 C CB . SER D 94 ? 0.4708 0.3281 0.4240 0.0258 0.0100 -0.0625 93 SER D CB 5062 O OG . SER D 94 ? 0.4859 0.3446 0.4457 0.0549 0.0184 -0.0494 93 SER D OG 5063 N N . GLY D 95 ? 0.4041 0.3308 0.3953 0.0111 -0.0121 -0.0449 94 GLY D N 5064 C CA . GLY D 95 ? 0.3960 0.3447 0.3975 0.0151 -0.0175 -0.0322 94 GLY D CA 5065 C C . GLY D 95 ? 0.4226 0.3472 0.4079 0.0046 -0.0169 -0.0261 94 GLY D C 5066 O O . GLY D 95 ? 0.4382 0.3434 0.4090 -0.0144 -0.0161 -0.0337 94 GLY D O 5067 N N . ASP D 96 ? 0.4329 0.3634 0.4197 0.0147 -0.0174 -0.0107 95 ASP D N 5068 C CA . ASP D 96 ? 0.4551 0.3687 0.4270 0.0027 -0.0172 -0.0021 95 ASP D CA 5069 C C . ASP D 96 ? 0.4199 0.3786 0.4039 -0.0106 -0.0269 -0.0041 95 ASP D C 5070 O O . ASP D 96 ? 0.3861 0.3701 0.3811 -0.0155 -0.0314 -0.0164 95 ASP D O 5071 C CB . ASP D 96 ? 0.4932 0.3856 0.4544 0.0226 -0.0111 0.0183 95 ASP D CB 5072 C CG . ASP D 96 ? 0.4717 0.4172 0.4552 0.0423 -0.0178 0.0299 95 ASP D CG 5073 O OD1 . ASP D 96 ? 0.5053 0.4446 0.4850 0.0677 -0.0119 0.0478 95 ASP D OD1 5074 O OD2 . ASP D 96 ? 0.4383 0.4308 0.4393 0.0324 -0.0282 0.0221 95 ASP D OD2 5075 N N . GLU D 97 ? 0.4317 0.3972 0.4099 -0.0137 -0.0282 0.0086 96 GLU D N 5076 C CA . GLU D 97 ? 0.4090 0.4142 0.3927 -0.0237 -0.0343 0.0067 96 GLU D CA 5077 C C . GLU D 97 ? 0.3798 0.4213 0.3755 -0.0145 -0.0414 0.0010 96 GLU D C 5078 O O . GLU D 97 ? 0.3655 0.4296 0.3602 -0.0198 -0.0440 -0.0067 96 GLU D O 5079 C CB . GLU D 97 ? 0.4327 0.4370 0.4039 -0.0308 -0.0326 0.0227 96 GLU D CB 5080 C CG . GLU D 97 ? 0.4612 0.4658 0.4288 -0.0136 -0.0333 0.0408 96 GLU D CG 5081 C CD . GLU D 97 ? 0.5239 0.4762 0.4768 -0.0017 -0.0242 0.0538 96 GLU D CD 5082 O OE1 . GLU D 97 ? 0.5474 0.5007 0.4953 0.0167 -0.0231 0.0735 96 GLU D OE1 5083 O OE2 . GLU D 97 ? 0.5571 0.4658 0.4992 -0.0090 -0.0173 0.0449 96 GLU D OE2 5084 N N . GLY D 98 ? 0.3780 0.4244 0.3815 -0.0013 -0.0432 0.0052 97 GLY D N 5085 C CA . GLY D 98 ? 0.3599 0.4396 0.3707 -0.0007 -0.0507 -0.0003 97 GLY D CA 5086 C C . GLY D 98 ? 0.3436 0.4202 0.3577 -0.0068 -0.0507 -0.0178 97 GLY D C 5087 O O . GLY D 98 ? 0.3428 0.3987 0.3570 -0.0082 -0.0457 -0.0247 97 GLY D O 5088 N N . TYR D 99 ? 0.3390 0.4345 0.3516 -0.0125 -0.0562 -0.0245 98 TYR D N 5089 C CA . TYR D 99 ? 0.3309 0.4150 0.3398 -0.0186 -0.0548 -0.0391 98 TYR D CA 5090 C C . TYR D 99 ? 0.3249 0.4094 0.3481 -0.0160 -0.0529 -0.0389 98 TYR D C 5091 O O . TYR D 99 ? 0.3253 0.3937 0.3455 -0.0187 -0.0493 -0.0483 98 TYR D O 5092 C CB . TYR D 99 ? 0.3423 0.4307 0.3321 -0.0305 -0.0590 -0.0487 98 TYR D CB 5093 C CG . TYR D 99 ? 0.3440 0.4640 0.3356 -0.0413 -0.0678 -0.0437 98 TYR D CG 5094 C CD1 . TYR D 99 ? 0.3529 0.4950 0.3334 -0.0459 -0.0740 -0.0390 98 TYR D CD1 5095 C CD2 . TYR D 99 ? 0.3337 0.4703 0.3380 -0.0486 -0.0701 -0.0424 98 TYR D CD2 5096 C CE1 . TYR D 99 ? 0.3587 0.5416 0.3406 -0.0584 -0.0841 -0.0330 98 TYR D CE1 5097 C CE2 . TYR D 99 ? 0.3382 0.5195 0.3468 -0.0617 -0.0794 -0.0355 98 TYR D CE2 5098 C CZ . TYR D 99 ? 0.3516 0.5574 0.3490 -0.0670 -0.0872 -0.0308 98 TYR D CZ 5099 O OH . TYR D 99 ? 0.3592 0.6203 0.3606 -0.0823 -0.0982 -0.0227 98 TYR D OH 5100 N N . THR D 100 ? 0.3233 0.4288 0.3606 -0.0079 -0.0538 -0.0263 99 THR D N 5101 C CA . THR D 100 ? 0.3180 0.4332 0.3693 -0.0022 -0.0501 -0.0241 99 THR D CA 5102 C C . THR D 100 ? 0.3178 0.3983 0.3673 0.0062 -0.0410 -0.0297 99 THR D C 5103 O O . THR D 100 ? 0.3298 0.3859 0.3730 0.0145 -0.0363 -0.0262 99 THR D O 5104 C CB . THR D 100 ? 0.3241 0.4770 0.3910 0.0126 -0.0507 -0.0057 99 THR D CB 5105 O OG1 . THR D 100 ? 0.3284 0.5239 0.3963 0.0009 -0.0614 0.0000 99 THR D OG1 5106 C CG2 . THR D 100 ? 0.3195 0.4935 0.4020 0.0197 -0.0453 -0.0025 99 THR D CG2 5107 N N . GLN D 101 ? 0.3110 0.3872 0.3612 0.0006 -0.0385 -0.0385 100 GLN D N 5108 C CA . GLN D 101 ? 0.3130 0.3654 0.3605 0.0079 -0.0303 -0.0434 100 GLN D CA 5109 C C . GLN D 101 ? 0.3139 0.3860 0.3738 0.0188 -0.0243 -0.0370 100 GLN D C 5110 O O . GLN D 101 ? 0.3056 0.4099 0.3758 0.0107 -0.0272 -0.0343 100 GLN D O 5111 C CB . GLN D 101 ? 0.3069 0.3441 0.3444 -0.0017 -0.0302 -0.0548 100 GLN D CB 5112 C CG . GLN D 101 ? 0.3137 0.3376 0.3401 -0.0055 -0.0324 -0.0590 100 GLN D CG 5113 C CD . GLN D 101 ? 0.3192 0.3359 0.3359 -0.0076 -0.0311 -0.0659 100 GLN D CD 5114 O OE1 . GLN D 101 ? 0.3252 0.3434 0.3348 -0.0075 -0.0321 -0.0670 100 GLN D OE1 5115 N NE2 . GLN D 101 ? 0.3190 0.3325 0.3351 -0.0074 -0.0277 -0.0679 100 GLN D NE2 5116 N N . TYR D 102 ? 0.3299 0.3818 0.3850 0.0362 -0.0149 -0.0345 101 TYR D N 5117 C CA . TYR D 102 ? 0.3386 0.4094 0.4028 0.0546 -0.0055 -0.0270 101 TYR D CA 5118 C C . TYR D 102 ? 0.3441 0.3958 0.3987 0.0533 0.0021 -0.0383 101 TYR D C 5119 O O . TYR D 102 ? 0.3644 0.3728 0.3979 0.0536 0.0069 -0.0481 101 TYR D O 5120 C CB . TYR D 102 ? 0.3684 0.4215 0.4254 0.0814 0.0037 -0.0156 101 TYR D CB 5121 C CG . TYR D 102 ? 0.3646 0.4397 0.4293 0.0852 -0.0036 -0.0011 101 TYR D CG 5122 C CD1 . TYR D 102 ? 0.3504 0.4870 0.4370 0.0980 -0.0058 0.0166 101 TYR D CD1 5123 C CD2 . TYR D 102 ? 0.3673 0.4101 0.4176 0.0746 -0.0087 -0.0035 101 TYR D CD2 5124 C CE1 . TYR D 102 ? 0.3516 0.5143 0.4434 0.1012 -0.0137 0.0312 101 TYR D CE1 5125 C CE2 . TYR D 102 ? 0.3623 0.4266 0.4170 0.0781 -0.0151 0.0106 101 TYR D CE2 5126 C CZ . TYR D 102 ? 0.3611 0.4838 0.4355 0.0919 -0.0180 0.0277 101 TYR D CZ 5127 O OH . TYR D 102 ? 0.3725 0.5219 0.4493 0.0951 -0.0254 0.0429 101 TYR D OH 5128 N N . PHE D 103 ? 0.3307 0.4173 0.3984 0.0483 0.0030 -0.0362 102 PHE D N 5129 C CA . PHE D 103 ? 0.3313 0.4060 0.3897 0.0441 0.0090 -0.0451 102 PHE D CA 5130 C C . PHE D 103 ? 0.3537 0.4306 0.4084 0.0669 0.0243 -0.0428 102 PHE D C 5131 O O . PHE D 103 ? 0.3585 0.4738 0.4295 0.0843 0.0306 -0.0296 102 PHE D O 5132 C CB . PHE D 103 ? 0.3133 0.4138 0.3800 0.0228 0.0033 -0.0442 102 PHE D CB 5133 C CG . PHE D 103 ? 0.3006 0.3793 0.3572 0.0049 -0.0067 -0.0509 102 PHE D CG 5134 C CD1 . PHE D 103 ? 0.2841 0.3751 0.3457 -0.0048 -0.0157 -0.0476 102 PHE D CD1 5135 C CD2 . PHE D 103 ? 0.2985 0.3475 0.3379 0.0008 -0.0064 -0.0595 102 PHE D CD2 5136 C CE1 . PHE D 103 ? 0.2851 0.3523 0.3322 -0.0165 -0.0220 -0.0545 102 PHE D CE1 5137 C CE2 . PHE D 103 ? 0.2876 0.3195 0.3162 -0.0080 -0.0129 -0.0633 102 PHE D CE2 5138 C CZ . PHE D 103 ? 0.2891 0.3266 0.3202 -0.0157 -0.0196 -0.0616 102 PHE D CZ 5139 N N . GLY D 104 ? 0.3718 0.4115 0.4031 0.0674 0.0306 -0.0554 103 GLY D N 5140 C CA . GLY D 104 ? 0.4020 0.4348 0.4202 0.0878 0.0470 -0.0574 103 GLY D CA 5141 C C . GLY D 104 ? 0.3886 0.4687 0.4224 0.0852 0.0515 -0.0510 103 GLY D C 5142 O O . GLY D 104 ? 0.3596 0.4694 0.4106 0.0639 0.0415 -0.0458 103 GLY D O 5143 N N . PRO D 105 ? 0.4175 0.4998 0.4401 0.1059 0.0681 -0.0517 104 PRO D N 5144 C CA . PRO D 105 ? 0.4120 0.5476 0.4504 0.1068 0.0759 -0.0421 104 PRO D CA 5145 C C . PRO D 105 ? 0.3992 0.5331 0.4310 0.0796 0.0697 -0.0474 104 PRO D C 5146 O O . PRO D 105 ? 0.3888 0.5673 0.4363 0.0692 0.0721 -0.0366 104 PRO D O 5147 C CB . PRO D 105 ? 0.4547 0.5770 0.4715 0.1404 0.0978 -0.0453 104 PRO D CB 5148 C CG . PRO D 105 ? 0.4889 0.5513 0.4812 0.1589 0.1016 -0.0530 104 PRO D CG 5149 C CD . PRO D 105 ? 0.4657 0.4939 0.4533 0.1285 0.0823 -0.0626 104 PRO D CD 5150 N N . GLY D 106 ? 0.4041 0.4900 0.4117 0.0683 0.0624 -0.0615 105 GLY D N 5151 C CA . GLY D 106 ? 0.4007 0.4820 0.3969 0.0498 0.0578 -0.0643 105 GLY D CA 5152 C C . GLY D 106 ? 0.4326 0.5006 0.4006 0.0587 0.0690 -0.0732 105 GLY D C 5153 O O . GLY D 106 ? 0.4573 0.5353 0.4204 0.0786 0.0845 -0.0730 105 GLY D O 5154 N N . THR D 107 ? 0.4370 0.4858 0.3842 0.0459 0.0619 -0.0803 106 THR D N 5155 C CA . THR D 107 ? 0.4679 0.5072 0.3836 0.0492 0.0697 -0.0896 106 THR D CA 5156 C C . THR D 107 ? 0.4627 0.5213 0.3751 0.0379 0.0669 -0.0798 106 THR D C 5157 O O . THR D 107 ? 0.4467 0.5014 0.3628 0.0265 0.0549 -0.0744 106 THR D O 5158 C CB . THR D 107 ? 0.4920 0.4929 0.3771 0.0430 0.0635 -0.1075 106 THR D CB 5159 O OG1 . THR D 107 ? 0.5192 0.4881 0.3934 0.0559 0.0722 -0.1169 106 THR D OG1 5160 C CG2 . THR D 107 ? 0.5186 0.5167 0.3678 0.0378 0.0665 -0.1169 106 THR D CG2 5161 N N . ARG D 108 ? 0.4814 0.5588 0.3837 0.0441 0.0800 -0.0760 107 ARG D N 5162 C CA . ARG D 108 ? 0.4864 0.5789 0.3800 0.0349 0.0801 -0.0642 107 ARG D CA 5163 C C . ARG D 108 ? 0.5097 0.5935 0.3665 0.0350 0.0789 -0.0739 107 ARG D C 5164 O O . ARG D 108 ? 0.5405 0.6237 0.3737 0.0437 0.0902 -0.0847 107 ARG D O 5165 C CB . ARG D 108 ? 0.4925 0.6201 0.3987 0.0367 0.0948 -0.0500 107 ARG D CB 5166 C CG . ARG D 108 ? 0.4829 0.6293 0.4236 0.0258 0.0920 -0.0366 107 ARG D CG 5167 C CD . ARG D 108 ? 0.5078 0.7017 0.4697 0.0343 0.1065 -0.0281 107 ARG D CD 5168 N NE . ARG D 108 ? 0.5350 0.7638 0.5022 0.0176 0.1143 -0.0097 107 ARG D NE 5169 C CZ . ARG D 108 ? 0.5504 0.8370 0.5415 0.0168 0.1256 0.0036 107 ARG D CZ 5170 N NH1 . ARG D 108 ? 0.5467 0.8641 0.5593 0.0379 0.1310 0.0019 107 ARG D NH1 5171 N NH2 . ARG D 108 ? 0.5673 0.8841 0.5599 -0.0048 0.1323 0.0210 107 ARG D NH2 5172 N N . LEU D 109 ? 0.5013 0.5810 0.3507 0.0264 0.0656 -0.0696 108 LEU D N 5173 C CA . LEU D 109 ? 0.5218 0.6079 0.3383 0.0238 0.0612 -0.0748 108 LEU D CA 5174 C C . LEU D 109 ? 0.5304 0.6349 0.3375 0.0249 0.0637 -0.0544 108 LEU D C 5175 O O . LEU D 109 ? 0.5182 0.6176 0.3395 0.0241 0.0612 -0.0368 108 LEU D O 5176 C CB . LEU D 109 ? 0.5125 0.5944 0.3258 0.0159 0.0444 -0.0815 108 LEU D CB 5177 C CG . LEU D 109 ? 0.5308 0.6354 0.3144 0.0092 0.0353 -0.0832 108 LEU D CG 5178 C CD1 . LEU D 109 ? 0.5762 0.6748 0.3225 0.0024 0.0417 -0.1042 108 LEU D CD1 5179 C CD2 . LEU D 109 ? 0.5092 0.6246 0.2999 0.0011 0.0188 -0.0841 108 LEU D CD2 5180 N N . LEU D 110 ? 0.5580 0.6778 0.3350 0.0265 0.0700 -0.0571 109 LEU D N 5181 C CA . LEU D 110 ? 0.5740 0.7122 0.3342 0.0286 0.0720 -0.0367 109 LEU D CA 5182 C C . LEU D 110 ? 0.6005 0.7600 0.3258 0.0267 0.0635 -0.0432 109 LEU D C 5183 O O . LEU D 110 ? 0.6249 0.7859 0.3248 0.0224 0.0672 -0.0639 109 LEU D O 5184 C CB . LEU D 110 ? 0.5894 0.7383 0.3474 0.0309 0.0905 -0.0274 109 LEU D CB 5185 C CG . LEU D 110 ? 0.6140 0.7820 0.3460 0.0326 0.0972 -0.0077 109 LEU D CG 5186 C CD1 . LEU D 110 ? 0.6119 0.7661 0.3475 0.0319 0.0934 0.0198 109 LEU D CD1 5187 C CD2 . LEU D 110 ? 0.6272 0.8123 0.3586 0.0333 0.1171 -0.0042 109 LEU D CD2 5188 N N . VAL D 111 ? 0.6025 0.7785 0.3229 0.0305 0.0528 -0.0248 110 VAL D N 5189 C CA . VAL D 111 ? 0.6269 0.8396 0.3166 0.0280 0.0421 -0.0256 110 VAL D CA 5190 C C . VAL D 111 ? 0.6563 0.8912 0.3230 0.0383 0.0484 -0.0005 110 VAL D C 5191 O O . VAL D 111 ? 0.6558 0.8841 0.3293 0.0516 0.0500 0.0272 110 VAL D O 5192 C CB . VAL D 111 ? 0.6103 0.8435 0.3106 0.0275 0.0237 -0.0218 110 VAL D CB 5193 C CG1 . VAL D 111 ? 0.6349 0.9220 0.3050 0.0210 0.0110 -0.0210 110 VAL D CG1 5194 C CG2 . VAL D 111 ? 0.5876 0.7981 0.3074 0.0147 0.0183 -0.0453 110 VAL D CG2 5195 N N . LEU D 112 ? 0.6911 0.9459 0.3248 0.0326 0.0535 -0.0107 111 LEU D N 5196 C CA . LEU D 112 ? 0.7245 1.0050 0.3305 0.0409 0.0600 0.0117 111 LEU D CA 5197 C C . LEU D 112 ? 0.7473 1.0792 0.3253 0.0403 0.0435 0.0178 111 LEU D C 5198 O O . LEU D 112 ? 0.7436 1.0942 0.3155 0.0253 0.0289 -0.0035 111 LEU D O 5199 C CB . LEU D 112 ? 0.7503 1.0285 0.3339 0.0366 0.0776 -0.0018 111 LEU D CB 5200 C CG . LEU D 112 ? 0.7370 0.9851 0.3461 0.0381 0.0960 -0.0067 111 LEU D CG 5201 C CD1 . LEU D 112 ? 0.7616 1.0155 0.3429 0.0380 0.1121 -0.0272 111 LEU D CD1 5202 C CD2 . LEU D 112 ? 0.7378 0.9783 0.3642 0.0428 0.1063 0.0262 111 LEU D CD2 5203 N N . GLU D 113 ? 0.7757 1.1328 0.3350 0.0549 0.0459 0.0491 112 GLU D N 5204 C CA . GLU D 113 ? 0.8049 1.2248 0.3359 0.0580 0.0309 0.0615 112 GLU D CA 5205 C C . GLU D 113 ? 0.8386 1.2877 0.3278 0.0374 0.0294 0.0357 112 GLU D C 5206 O O . GLU D 113 ? 0.8558 1.3561 0.3232 0.0235 0.0117 0.0268 112 GLU D O 5207 C CB . GLU D 113 ? 0.8333 1.2650 0.3517 0.0843 0.0371 0.1061 112 GLU D CB 5208 C CG . GLU D 113 ? 0.8303 1.2142 0.3758 0.1058 0.0438 0.1325 112 GLU D CG 5209 C CD . GLU D 113 ? 0.8244 1.2309 0.3896 0.1196 0.0278 0.1398 112 GLU D CD 5210 O OE1 . GLU D 113 ? 0.8266 1.3018 0.3841 0.1149 0.0101 0.1347 112 GLU D OE1 5211 O OE2 . GLU D 113 ? 0.8187 1.1768 0.4050 0.1339 0.0336 0.1509 112 GLU D OE2 5212 N N . ASP D 114 ? 0.7084 1.1595 0.7532 0.3185 -0.2489 -0.0077 113 ASP D N 5213 C CA . ASP D 114 ? 0.7206 1.1687 0.7179 0.2969 -0.2613 -0.0004 113 ASP D CA 5214 C C . ASP D 114 ? 0.7009 1.0933 0.6529 0.2655 -0.2362 0.0009 113 ASP D C 5215 O O . ASP D 114 ? 0.6977 1.0337 0.6350 0.2694 -0.2167 0.0105 113 ASP D O 5216 C CB . ASP D 114 ? 0.7780 1.2062 0.7400 0.3242 -0.2885 0.0267 113 ASP D CB 5217 C CG . ASP D 114 ? 0.8009 1.2596 0.7281 0.3094 -0.3111 0.0256 113 ASP D CG 5218 O OD1 . ASP D 114 ? 0.7791 1.2467 0.6950 0.2745 -0.3013 0.0070 113 ASP D OD1 5219 O OD2 . ASP D 114 ? 0.8508 1.3239 0.7619 0.3336 -0.3404 0.0430 113 ASP D OD2 5220 N N . LEU D 115 ? 0.6897 1.0989 0.6240 0.2350 -0.2383 -0.0104 114 LEU D N 5221 C CA . LEU D 115 ? 0.6744 1.0360 0.5706 0.2061 -0.2173 -0.0120 114 LEU D CA 5222 C C . LEU D 115 ? 0.7132 1.0330 0.5455 0.2081 -0.2244 0.0037 114 LEU D C 5223 O O . LEU D 115 ? 0.7069 0.9890 0.5060 0.1875 -0.2085 0.0014 114 LEU D O 5224 C CB . LEU D 115 ? 0.6466 1.0430 0.5631 0.1710 -0.2143 -0.0343 114 LEU D CB 5225 C CG . LEU D 115 ? 0.6062 1.0415 0.5777 0.1581 -0.1989 -0.0476 114 LEU D CG 5226 C CD1 . LEU D 115 ? 0.5901 1.0609 0.5815 0.1223 -0.2024 -0.0637 114 LEU D CD1 5227 C CD2 . LEU D 115 ? 0.5842 0.9749 0.5494 0.1545 -0.1695 -0.0430 114 LEU D CD2 5228 N N . ARG D 116 ? 0.7568 1.0866 0.5725 0.2342 -0.2481 0.0205 115 ARG D N 5229 C CA . ARG D 116 ? 0.8032 1.1082 0.5547 0.2377 -0.2577 0.0375 115 ARG D CA 5230 C C . ARG D 116 ? 0.8129 1.0491 0.5231 0.2356 -0.2328 0.0574 115 ARG D C 5231 O O . ARG D 116 ? 0.8467 1.0646 0.5016 0.2311 -0.2329 0.0674 115 ARG D O 5232 C CB . ARG D 116 ? 0.8512 1.1827 0.5959 0.2693 -0.2890 0.0578 115 ARG D CB 5233 N N . ASN D 117 ? 0.7858 0.9895 0.5242 0.2382 -0.2114 0.0609 116 ASN D N 5234 C CA . ASN D 117 ? 0.7970 0.9382 0.5074 0.2384 -0.1897 0.0811 116 ASN D CA 5235 C C . ASN D 117 ? 0.7526 0.8680 0.4671 0.2123 -0.1613 0.0645 116 ASN D C 5236 O O . ASN D 117 ? 0.7558 0.8238 0.4543 0.2096 -0.1420 0.0774 116 ASN D O 5237 C CB . ASN D 117 ? 0.8151 0.9313 0.5532 0.2658 -0.1913 0.1011 116 ASN D CB 5238 C CG . ASN D 117 ? 0.8727 0.9379 0.5699 0.2766 -0.1888 0.1380 116 ASN D CG 5239 O OD1 . ASN D 117 ? 0.8824 0.9084 0.5514 0.2600 -0.1667 0.1449 116 ASN D OD1 5240 N ND2 . ASN D 117 ? 0.9184 0.9855 0.6150 0.3044 -0.2117 0.1639 116 ASN D ND2 5241 N N . VAL D 118 ? 0.7135 0.8610 0.4513 0.1926 -0.1599 0.0378 117 VAL D N 5242 C CA . VAL D 118 ? 0.6729 0.8004 0.4172 0.1685 -0.1367 0.0237 117 VAL D CA 5243 C C . VAL D 118 ? 0.6874 0.7840 0.3846 0.1542 -0.1271 0.0249 117 VAL D C 5244 O O . VAL D 118 ? 0.7071 0.8212 0.3786 0.1482 -0.1399 0.0168 117 VAL D O 5245 C CB . VAL D 118 ? 0.6382 0.8087 0.4207 0.1497 -0.1393 0.0000 117 VAL D CB 5246 C CG1 . VAL D 118 ? 0.6071 0.7543 0.3937 0.1259 -0.1176 -0.0094 117 VAL D CG1 5247 C CG2 . VAL D 118 ? 0.6214 0.8307 0.4525 0.1643 -0.1448 -0.0035 117 VAL D CG2 5248 N N . THR D 119 ? 0.6793 0.7336 0.3679 0.1497 -0.1049 0.0323 118 THR D N 5249 C CA . THR D 119 ? 0.6944 0.7212 0.3428 0.1390 -0.0923 0.0340 118 THR D CA 5250 C C . THR D 119 ? 0.6571 0.6576 0.3211 0.1236 -0.0699 0.0253 118 THR D C 5251 O O . THR D 119 ? 0.6384 0.6241 0.3273 0.1277 -0.0600 0.0311 118 THR D O 5252 C CB . THR D 119 ? 0.7381 0.7399 0.3508 0.1539 -0.0890 0.0627 118 THR D CB 5253 O OG1 . THR D 119 ? 0.7766 0.8030 0.3763 0.1716 -0.1124 0.0755 118 THR D OG1 5254 C CG2 . THR D 119 ? 0.7607 0.7477 0.3296 0.1434 -0.0754 0.0626 118 THR D CG2 5255 N N . PRO D 120 ? 0.6511 0.6468 0.3022 0.1071 -0.0638 0.0095 119 PRO D N 5256 C CA . PRO D 120 ? 0.6227 0.5939 0.2872 0.0946 -0.0448 0.0033 119 PRO D CA 5257 C C . PRO D 120 ? 0.6350 0.5747 0.2804 0.0993 -0.0267 0.0186 119 PRO D C 5258 O O . PRO D 120 ? 0.6705 0.6069 0.2843 0.1085 -0.0274 0.0334 119 PRO D O 5259 C CB . PRO D 120 ? 0.6246 0.5996 0.2817 0.0796 -0.0481 -0.0179 119 PRO D CB 5260 C CG . PRO D 120 ? 0.6625 0.6546 0.2853 0.0859 -0.0620 -0.0215 119 PRO D CG 5261 C CD . PRO D 120 ? 0.6741 0.6882 0.3012 0.1007 -0.0767 -0.0063 119 PRO D CD 5262 N N . PRO D 121 ? 0.6084 0.5285 0.2736 0.0919 -0.0110 0.0166 120 PRO D N 5263 C CA . PRO D 121 ? 0.6192 0.5133 0.2747 0.0933 0.0065 0.0297 120 PRO D CA 5264 C C . PRO D 121 ? 0.6354 0.5244 0.2661 0.0864 0.0181 0.0229 120 PRO D C 5265 O O . PRO D 121 ? 0.6287 0.5259 0.2591 0.0791 0.0143 0.0029 120 PRO D O 5266 C CB . PRO D 121 ? 0.5838 0.4672 0.2745 0.0878 0.0152 0.0250 120 PRO D CB 5267 C CG . PRO D 121 ? 0.5572 0.4583 0.2645 0.0785 0.0076 0.0079 120 PRO D CG 5268 C CD . PRO D 121 ? 0.5700 0.4954 0.2694 0.0822 -0.0097 0.0050 120 PRO D CD 5269 N N . LYS D 122 ? 0.6606 0.5367 0.2735 0.0888 0.0325 0.0394 121 LYS D N 5270 C CA . LYS D 122 ? 0.6705 0.5438 0.2712 0.0822 0.0501 0.0326 121 LYS D CA 5271 C C . LYS D 122 ? 0.6403 0.4974 0.2769 0.0754 0.0631 0.0316 121 LYS D C 5272 O O . LYS D 122 ? 0.6337 0.4773 0.2900 0.0768 0.0640 0.0450 121 LYS D O 5273 C CB . LYS D 122 ? 0.7159 0.5913 0.2793 0.0859 0.0614 0.0535 121 LYS D CB 5274 C CG . LYS D 122 ? 0.7603 0.6575 0.2804 0.0936 0.0479 0.0548 121 LYS D CG 5275 C CD . LYS D 122 ? 0.7762 0.6931 0.2749 0.0907 0.0491 0.0253 121 LYS D CD 5276 C CE . LYS D 122 ? 0.8178 0.7600 0.2776 0.0978 0.0299 0.0198 121 LYS D CE 5277 N NZ . LYS D 122 ? 0.8699 0.8216 0.2864 0.1058 0.0325 0.0518 121 LYS D NZ 5278 N N . VAL D 123 ? 0.6257 0.4845 0.2730 0.0691 0.0711 0.0139 122 VAL D N 5279 C CA . VAL D 123 ? 0.5987 0.4477 0.2806 0.0632 0.0807 0.0115 122 VAL D CA 5280 C C . VAL D 123 ? 0.6102 0.4626 0.2908 0.0600 0.1003 0.0088 122 VAL D C 5281 O O . VAL D 123 ? 0.6278 0.4913 0.2920 0.0619 0.1039 -0.0057 122 VAL D O 5282 C CB . VAL D 123 ? 0.5657 0.4162 0.2732 0.0594 0.0694 -0.0047 122 VAL D CB 5283 C CG1 . VAL D 123 ? 0.5437 0.3888 0.2829 0.0546 0.0769 -0.0064 122 VAL D CG1 5284 C CG2 . VAL D 123 ? 0.5569 0.4124 0.2691 0.0611 0.0534 -0.0015 122 VAL D CG2 5285 N N . SER D 124 ? 0.6059 0.4509 0.3069 0.0551 0.1130 0.0206 123 SER D N 5286 C CA . SER D 124 ? 0.6142 0.4681 0.3229 0.0502 0.1335 0.0195 123 SER D CA 5287 C C . SER D 124 ? 0.5860 0.4360 0.3388 0.0439 0.1364 0.0145 123 SER D C 5288 O O . SER D 124 ? 0.5737 0.4104 0.3450 0.0414 0.1290 0.0211 123 SER D O 5289 C CB . SER D 124 ? 0.6513 0.5055 0.3385 0.0470 0.1488 0.0446 123 SER D CB 5290 O OG . SER D 124 ? 0.6839 0.5480 0.3254 0.0538 0.1452 0.0493 123 SER D OG 5291 N N . LEU D 125 ? 0.5794 0.4439 0.3500 0.0429 0.1460 0.0001 124 LEU D N 5292 C CA . LEU D 125 ? 0.5566 0.4246 0.3698 0.0374 0.1484 -0.0054 124 LEU D CA 5293 C C . LEU D 125 ? 0.5756 0.4591 0.4033 0.0297 0.1715 0.0009 124 LEU D C 5294 O O . LEU D 125 ? 0.5941 0.4978 0.4109 0.0327 0.1861 -0.0054 124 LEU D O 5295 C CB . LEU D 125 ? 0.5345 0.4089 0.3655 0.0434 0.1374 -0.0255 124 LEU D CB 5296 C CG . LEU D 125 ? 0.5156 0.4016 0.3894 0.0416 0.1374 -0.0343 124 LEU D CG 5297 C CD1 . LEU D 125 ? 0.5028 0.3839 0.3981 0.0336 0.1312 -0.0273 124 LEU D CD1 5298 C CD2 . LEU D 125 ? 0.5147 0.3994 0.3975 0.0498 0.1218 -0.0477 124 LEU D CD2 5299 N N . PHE D 126 ? 0.5724 0.4485 0.4267 0.0192 0.1751 0.0120 125 PHE D N 5300 C CA . PHE D 126 ? 0.5904 0.4807 0.4660 0.0070 0.1970 0.0217 125 PHE D CA 5301 C C . PHE D 126 ? 0.5668 0.4765 0.4922 0.0028 0.1972 0.0048 125 PHE D C 5302 O O . PHE D 126 ? 0.5429 0.4435 0.4923 0.0016 0.1808 -0.0026 125 PHE D O 5303 C CB . PHE D 126 ? 0.6129 0.4786 0.4896 -0.0041 0.2002 0.0468 125 PHE D CB 5304 C CG . PHE D 126 ? 0.6411 0.4914 0.4701 0.0011 0.2000 0.0679 125 PHE D CG 5305 C CD1 . PHE D 126 ? 0.6287 0.4595 0.4360 0.0126 0.1789 0.0663 125 PHE D CD1 5306 C CD2 . PHE D 126 ? 0.6790 0.5395 0.4848 -0.0055 0.2209 0.0906 125 PHE D CD2 5307 C CE1 . PHE D 126 ? 0.6564 0.4773 0.4221 0.0190 0.1759 0.0855 125 PHE D CE1 5308 C CE2 . PHE D 126 ? 0.7073 0.5569 0.4656 0.0005 0.2181 0.1123 125 PHE D CE2 5309 C CZ . PHE D 126 ? 0.6939 0.5232 0.4335 0.0136 0.1943 0.1091 125 PHE D CZ 5310 N N . GLU D 127 ? 0.5761 0.5176 0.5166 0.0018 0.2154 -0.0021 126 GLU D N 5311 C CA . GLU D 127 ? 0.5569 0.5249 0.5467 0.0012 0.2152 -0.0197 126 GLU D CA 5312 C C . GLU D 127 ? 0.5592 0.5345 0.5929 -0.0178 0.2231 -0.0119 126 GLU D C 5313 O O . GLU D 127 ? 0.5870 0.5544 0.6149 -0.0322 0.2389 0.0090 126 GLU D O 5314 C CB . GLU D 127 ? 0.5681 0.5717 0.5617 0.0101 0.2322 -0.0335 126 GLU D CB 5315 C CG . GLU D 127 ? 0.5742 0.5698 0.5340 0.0290 0.2220 -0.0481 126 GLU D CG 5316 C CD . GLU D 127 ? 0.6130 0.6429 0.5718 0.0389 0.2415 -0.0648 126 GLU D CD 5317 O OE1 . GLU D 127 ? 0.6328 0.6968 0.6095 0.0299 0.2668 -0.0607 126 GLU D OE1 5318 O OE2 . GLU D 127 ? 0.6255 0.6496 0.5676 0.0551 0.2320 -0.0834 126 GLU D OE2 5319 N N . PRO D 128 ? 0.5357 0.5261 0.6144 -0.0188 0.2107 -0.0280 127 PRO D N 5320 C CA . PRO D 128 ? 0.5383 0.5374 0.6649 -0.0379 0.2136 -0.0267 127 PRO D CA 5321 C C . PRO D 128 ? 0.5634 0.5920 0.7149 -0.0539 0.2434 -0.0163 127 PRO D C 5322 O O . PRO D 128 ? 0.5699 0.6296 0.7156 -0.0460 0.2602 -0.0206 127 PRO D O 5323 C CB . PRO D 128 ? 0.5097 0.5340 0.6747 -0.0304 0.1948 -0.0496 127 PRO D CB 5324 C CG . PRO D 128 ? 0.4942 0.5047 0.6248 -0.0096 0.1763 -0.0563 127 PRO D CG 5325 C CD . PRO D 128 ? 0.5101 0.5108 0.5976 -0.0019 0.1913 -0.0477 127 PRO D CD 5326 N N . SER D 129 ? 0.5816 0.6014 0.7624 -0.0768 0.2504 -0.0036 128 SER D N 5327 C CA . SER D 129 ? 0.6084 0.6599 0.8218 -0.0974 0.2794 0.0089 128 SER D CA 5328 C C . SER D 129 ? 0.5886 0.6893 0.8669 -0.1017 0.2782 -0.0141 128 SER D C 5329 O O . SER D 129 ? 0.5652 0.6629 0.8719 -0.0997 0.2532 -0.0328 128 SER D O 5330 C CB . SER D 129 ? 0.6438 0.6610 0.8676 -0.1228 0.2865 0.0350 128 SER D CB 5331 O OG . SER D 129 ? 0.6385 0.6590 0.9244 -0.1408 0.2765 0.0226 128 SER D OG 5332 N N . LYS D 130 ? 0.6002 0.7513 0.9015 -0.1067 0.3052 -0.0136 129 LYS D N 5333 C CA . LYS D 130 ? 0.5846 0.7915 0.9542 -0.1106 0.3067 -0.0348 129 LYS D CA 5334 C C . LYS D 130 ? 0.5919 0.7977 1.0188 -0.1402 0.3023 -0.0322 129 LYS D C 5335 O O . LYS D 130 ? 0.5724 0.8122 1.0557 -0.1424 0.2886 -0.0545 129 LYS D O 5336 C CB . LYS D 130 ? 0.6019 0.8675 0.9850 -0.1106 0.3410 -0.0343 129 LYS D CB 5337 N N . ALA D 131 ? 0.6248 0.7900 1.0381 -0.1624 0.3121 -0.0053 130 ALA D N 5338 C CA . ALA D 131 ? 0.6431 0.7942 1.1096 -0.1927 0.3075 -0.0017 130 ALA D CA 5339 C C . ALA D 131 ? 0.6184 0.7436 1.0977 -0.1852 0.2692 -0.0281 130 ALA D C 5340 O O . ALA D 131 ? 0.6170 0.7619 1.1574 -0.2018 0.2581 -0.0460 130 ALA D O 5341 C CB . ALA D 131 ? 0.6901 0.7927 1.1331 -0.2135 0.3235 0.0359 130 ALA D CB 5342 N N . GLU D 132 ? 0.6025 0.6886 1.0242 -0.1609 0.2496 -0.0315 131 GLU D N 5343 C CA . GLU D 132 ? 0.5813 0.6497 1.0045 -0.1504 0.2151 -0.0564 131 GLU D CA 5344 C C . GLU D 132 ? 0.5482 0.6694 1.0012 -0.1367 0.1992 -0.0837 131 GLU D C 5345 O O . GLU D 132 ? 0.5414 0.6750 1.0296 -0.1414 0.1761 -0.1064 131 GLU D O 5346 C CB . GLU D 132 ? 0.5734 0.5962 0.9280 -0.1279 0.2018 -0.0508 131 GLU D CB 5347 C CG . GLU D 132 ? 0.5609 0.5653 0.9124 -0.1195 0.1698 -0.0737 131 GLU D CG 5348 C CD . GLU D 132 ? 0.5422 0.5295 0.8338 -0.0928 0.1557 -0.0744 131 GLU D CD 5349 O OE1 . GLU D 132 ? 0.5483 0.5214 0.7967 -0.0828 0.1688 -0.0555 131 GLU D OE1 5350 O OE2 . GLU D 132 ? 0.5246 0.5159 0.8126 -0.0830 0.1311 -0.0941 131 GLU D OE2 5351 N N . ILE D 133 ? 0.5330 0.6855 0.9720 -0.1188 0.2104 -0.0823 132 ILE D N 5352 C CA . ILE D 133 ? 0.5063 0.7071 0.9739 -0.1015 0.1957 -0.1043 132 ILE D CA 5353 C C . ILE D 133 ? 0.5095 0.7635 1.0564 -0.1206 0.1972 -0.1188 132 ILE D C 5354 O O . ILE D 133 ? 0.4931 0.7773 1.0719 -0.1129 0.1717 -0.1403 132 ILE D O 5355 C CB . ILE D 133 ? 0.4988 0.7179 0.9405 -0.0781 0.2101 -0.1012 132 ILE D CB 5356 C CG1 . ILE D 133 ? 0.4899 0.6611 0.8608 -0.0573 0.1980 -0.0942 132 ILE D CG1 5357 C CG2 . ILE D 133 ? 0.4788 0.7526 0.9662 -0.0615 0.1991 -0.1221 132 ILE D CG2 5358 C CD1 . ILE D 133 ? 0.4894 0.6648 0.8267 -0.0388 0.2146 -0.0902 132 ILE D CD1 5359 N N . SER D 134 ? 0.5343 0.8019 1.1131 -0.1467 0.2264 -0.1053 133 SER D N 5360 C CA . SER D 134 ? 0.5412 0.8625 1.2013 -0.1698 0.2314 -0.1172 133 SER D CA 5361 C C . SER D 134 ? 0.5518 0.8518 1.2451 -0.1924 0.2088 -0.1296 133 SER D C 5362 O O . SER D 134 ? 0.5443 0.8879 1.2967 -0.1995 0.1912 -0.1537 133 SER D O 5363 C CB . SER D 134 ? 0.5694 0.9145 1.2521 -0.1934 0.2733 -0.0950 133 SER D CB 5364 O OG . SER D 134 ? 0.5652 0.9295 1.2108 -0.1716 0.2951 -0.0872 133 SER D OG 5365 N N . HIS D 135 ? 0.5729 0.8070 1.2291 -0.2020 0.2078 -0.1156 134 HIS D N 5366 C CA . HIS D 135 ? 0.5939 0.7998 1.2835 -0.2255 0.1906 -0.1279 134 HIS D CA 5367 C C . HIS D 135 ? 0.5756 0.7723 1.2494 -0.2078 0.1511 -0.1581 134 HIS D C 5368 O O . HIS D 135 ? 0.5853 0.7943 1.3065 -0.2233 0.1309 -0.1839 134 HIS D O 5369 C CB . HIS D 135 ? 0.6311 0.7693 1.2945 -0.2421 0.2063 -0.0998 134 HIS D CB 5370 C CG . HIS D 135 ? 0.6629 0.7675 1.3711 -0.2689 0.1923 -0.1120 134 HIS D CG 5371 N ND1 . HIS D 135 ? 0.6867 0.8213 1.4755 -0.3026 0.1974 -0.1202 134 HIS D ND1 5372 C CD2 . HIS D 135 ? 0.6796 0.7234 1.3670 -0.2668 0.1730 -0.1200 134 HIS D CD2 5373 C CE1 . HIS D 135 ? 0.7182 0.8074 1.5339 -0.3208 0.1806 -0.1337 134 HIS D CE1 5374 N NE2 . HIS D 135 ? 0.7155 0.7493 1.4703 -0.2981 0.1658 -0.1348 134 HIS D NE2 5375 N N . THR D 136 ? 0.5525 0.7309 1.1604 -0.1769 0.1404 -0.1554 135 THR D N 5376 C CA . THR D 136 ? 0.5409 0.7093 1.1229 -0.1605 0.1064 -0.1784 135 THR D CA 5377 C C . THR D 136 ? 0.5101 0.7196 1.0752 -0.1325 0.0884 -0.1873 135 THR D C 5378 O O . THR D 136 ? 0.5024 0.7194 1.0529 -0.1208 0.0593 -0.2058 135 THR D O 5379 C CB . THR D 136 ? 0.5492 0.6534 1.0673 -0.1503 0.1045 -0.1672 135 THR D CB 5380 O OG1 . THR D 136 ? 0.5368 0.6281 1.0016 -0.1312 0.1204 -0.1422 135 THR D OG1 5381 C CG2 . THR D 136 ? 0.5867 0.6427 1.1234 -0.1751 0.1165 -0.1585 135 THR D CG2 5382 N N . GLN D 137 ? 0.4967 0.7331 1.0640 -0.1215 0.1058 -0.1738 136 GLN D N 5383 C CA . GLN D 137 ? 0.4738 0.7371 1.0221 -0.0918 0.0911 -0.1763 136 GLN D CA 5384 C C . GLN D 137 ? 0.4648 0.6854 0.9403 -0.0707 0.0782 -0.1676 136 GLN D C 5385 O O . GLN D 137 ? 0.4530 0.6879 0.9107 -0.0490 0.0577 -0.1702 136 GLN D O 5386 C CB . GLN D 137 ? 0.4669 0.7872 1.0648 -0.0884 0.0636 -0.1998 136 GLN D CB 5387 C CG . GLN D 137 ? 0.4718 0.8507 1.1445 -0.0997 0.0773 -0.2068 136 GLN D CG 5388 C CD . GLN D 137 ? 0.4667 0.8623 1.1373 -0.0826 0.1017 -0.1930 136 GLN D CD 5389 O OE1 . GLN D 137 ? 0.4519 0.8409 1.0874 -0.0536 0.0919 -0.1883 136 GLN D OE1 5390 N NE2 . GLN D 137 ? 0.4766 0.8951 1.1864 -0.1014 0.1339 -0.1873 136 GLN D NE2 5391 N N . LYS D 138 ? 0.4748 0.6441 0.9115 -0.0779 0.0901 -0.1553 137 LYS D N 5392 C CA . LYS D 138 ? 0.4679 0.5987 0.8391 -0.0607 0.0824 -0.1455 137 LYS D CA 5393 C C . LYS D 138 ? 0.4749 0.5717 0.8118 -0.0598 0.1092 -0.1224 137 LYS D C 5394 O O . LYS D 138 ? 0.4917 0.5864 0.8502 -0.0764 0.1325 -0.1129 137 LYS D O 5395 C CB . LYS D 138 ? 0.4769 0.5829 0.8323 -0.0666 0.0652 -0.1578 137 LYS D CB 5396 C CG . LYS D 138 ? 0.4753 0.6190 0.8566 -0.0669 0.0367 -0.1837 137 LYS D CG 5397 C CD . LYS D 138 ? 0.4861 0.6077 0.8534 -0.0728 0.0227 -0.2015 137 LYS D CD 5398 C CE . LYS D 138 ? 0.4906 0.6555 0.8780 -0.0728 -0.0064 -0.2304 137 LYS D CE 5399 N NZ . LYS D 138 ? 0.5020 0.6817 0.9523 -0.0964 -0.0093 -0.2542 137 LYS D NZ 5400 N N . ALA D 139 ? 0.4654 0.5389 0.7494 -0.0416 0.1053 -0.1125 138 ALA D N 5401 C CA . ALA D 139 ? 0.4717 0.5201 0.7195 -0.0373 0.1267 -0.0935 138 ALA D CA 5402 C C . ALA D 139 ? 0.4728 0.4794 0.6666 -0.0298 0.1197 -0.0846 138 ALA D C 5403 O O . ALA D 139 ? 0.4585 0.4631 0.6286 -0.0167 0.1006 -0.0889 138 ALA D O 5404 C CB . ALA D 139 ? 0.4629 0.5347 0.7096 -0.0207 0.1322 -0.0934 138 ALA D CB 5405 N N . THR D 140 ? 0.4918 0.4680 0.6678 -0.0384 0.1352 -0.0698 139 THR D N 5406 C CA . THR D 140 ? 0.4962 0.4358 0.6274 -0.0313 0.1290 -0.0615 139 THR D CA 5407 C C . THR D 140 ? 0.5010 0.4279 0.5898 -0.0216 0.1413 -0.0452 139 THR D C 5408 O O . THR D 140 ? 0.5199 0.4470 0.6068 -0.0281 0.1621 -0.0318 139 THR D O 5409 C CB . THR D 140 ? 0.5186 0.4276 0.6592 -0.0446 0.1318 -0.0568 139 THR D CB 5410 O OG1 . THR D 140 ? 0.5226 0.4447 0.7091 -0.0567 0.1220 -0.0759 139 THR D OG1 5411 C CG2 . THR D 140 ? 0.5232 0.4030 0.6266 -0.0333 0.1197 -0.0554 139 THR D CG2 5412 N N . LEU D 141 ? 0.4873 0.4067 0.5424 -0.0072 0.1280 -0.0466 140 LEU D N 5413 C CA . LEU D 141 ? 0.4951 0.4000 0.5085 0.0015 0.1345 -0.0350 140 LEU D CA 5414 C C . LEU D 141 ? 0.5054 0.3808 0.4930 0.0016 0.1298 -0.0254 140 LEU D C 5415 O O . LEU D 141 ? 0.4985 0.3683 0.4899 0.0030 0.1149 -0.0335 140 LEU D O 5416 C CB . LEU D 141 ? 0.4783 0.3906 0.4760 0.0152 0.1216 -0.0421 140 LEU D CB 5417 C CG . LEU D 141 ? 0.4783 0.4141 0.4960 0.0216 0.1259 -0.0507 140 LEU D CG 5418 C CD1 . LEU D 141 ? 0.4663 0.4251 0.5226 0.0214 0.1126 -0.0614 140 LEU D CD1 5419 C CD2 . LEU D 141 ? 0.4861 0.4129 0.4771 0.0346 0.1187 -0.0522 140 LEU D CD2 5420 N N . VAL D 142 ? 0.5263 0.3868 0.4881 0.0015 0.1422 -0.0089 141 VAL D N 5421 C CA . VAL D 142 ? 0.5400 0.3736 0.4785 0.0049 0.1362 0.0020 141 VAL D CA 5422 C C . VAL D 142 ? 0.5432 0.3752 0.4394 0.0164 0.1329 0.0075 141 VAL D C 5423 O O . VAL D 142 ? 0.5513 0.3945 0.4308 0.0182 0.1434 0.0102 141 VAL D O 5424 C CB . VAL D 142 ? 0.5734 0.3860 0.5207 -0.0057 0.1489 0.0210 141 VAL D CB 5425 C CG1 . VAL D 142 ? 0.5925 0.3793 0.5071 0.0023 0.1447 0.0386 141 VAL D CG1 5426 C CG2 . VAL D 142 ? 0.5742 0.3785 0.5652 -0.0161 0.1438 0.0107 141 VAL D CG2 5427 N N . CYS D 143 ? 0.5383 0.3604 0.4201 0.0240 0.1180 0.0059 142 CYS D N 5428 C CA . CYS D 143 ? 0.5442 0.3656 0.3907 0.0332 0.1120 0.0102 142 CYS D CA 5429 C C . CYS D 143 ? 0.5643 0.3670 0.3945 0.0376 0.1097 0.0259 142 CYS D C 5430 O O . CYS D 143 ? 0.5713 0.3584 0.4208 0.0368 0.1066 0.0281 142 CYS D O 5431 C CB . CYS D 143 ? 0.5219 0.3537 0.3681 0.0380 0.0959 -0.0027 142 CYS D CB 5432 S SG . CYS D 143 ? 0.5442 0.3808 0.3572 0.0446 0.0885 -0.0024 142 CYS D SG 5433 N N . LEU D 144 ? 0.5773 0.3816 0.3735 0.0437 0.1092 0.0352 143 LEU D N 5434 C CA . LEU D 144 ? 0.6025 0.3918 0.3804 0.0504 0.1047 0.0534 143 LEU D CA 5435 C C . LEU D 144 ? 0.5992 0.4007 0.3473 0.0599 0.0921 0.0510 143 LEU D C 5436 O O . LEU D 144 ? 0.6064 0.4211 0.3301 0.0597 0.0954 0.0477 143 LEU D O 5437 C CB . LEU D 144 ? 0.6412 0.4213 0.4061 0.0447 0.1209 0.0768 143 LEU D CB 5438 C CG . LEU D 144 ? 0.6829 0.4366 0.4445 0.0485 0.1178 0.1026 143 LEU D CG 5439 C CD1 . LEU D 144 ? 0.6879 0.4179 0.4934 0.0430 0.1169 0.0997 143 LEU D CD1 5440 C CD2 . LEU D 144 ? 0.7321 0.4848 0.4662 0.0428 0.1335 0.1310 143 LEU D CD2 5441 N N . ALA D 145 ? 0.5898 0.3896 0.3435 0.0684 0.0773 0.0495 144 ALA D N 5442 C CA . ALA D 145 ? 0.5901 0.4040 0.3211 0.0769 0.0636 0.0490 144 ALA D CA 5443 C C . ALA D 145 ? 0.6230 0.4247 0.3407 0.0876 0.0580 0.0706 144 ALA D C 5444 O O . ALA D 145 ? 0.6302 0.4139 0.3701 0.0930 0.0553 0.0770 144 ALA D O 5445 C CB . ALA D 145 ? 0.5600 0.3900 0.3098 0.0788 0.0512 0.0322 144 ALA D CB 5446 N N . THR D 146 ? 0.6477 0.4589 0.3296 0.0916 0.0548 0.0812 145 THR D N 5447 C CA . THR D 146 ? 0.6889 0.4896 0.3517 0.1022 0.0488 0.1078 145 THR D CA 5448 C C . THR D 146 ? 0.7000 0.5248 0.3371 0.1130 0.0301 0.1070 145 THR D C 5449 O O . THR D 146 ? 0.6833 0.5314 0.3064 0.1085 0.0264 0.0882 145 THR D O 5450 C CB . THR D 146 ? 0.7284 0.5186 0.3652 0.0952 0.0660 0.1316 145 THR D CB 5451 O OG1 . THR D 146 ? 0.7290 0.5438 0.3363 0.0890 0.0739 0.1190 145 THR D OG1 5452 C CG2 . THR D 146 ? 0.7207 0.4872 0.3893 0.0836 0.0830 0.1363 145 THR D CG2 5453 N N . GLY D 147 ? 0.7309 0.5488 0.3660 0.1277 0.0167 0.1268 146 GLY D N 5454 C CA . GLY D 147 ? 0.7543 0.5971 0.3634 0.1398 -0.0029 0.1317 146 GLY D CA 5455 C C . GLY D 147 ? 0.7218 0.5952 0.3504 0.1435 -0.0198 0.1063 146 GLY D C 5456 O O . GLY D 147 ? 0.7341 0.6357 0.3415 0.1478 -0.0352 0.1024 146 GLY D O 5457 N N . PHE D 148 ? 0.6833 0.5553 0.3525 0.1406 -0.0170 0.0889 147 PHE D N 5458 C CA . PHE D 148 ? 0.6534 0.5588 0.3446 0.1409 -0.0296 0.0672 147 PHE D CA 5459 C C . PHE D 148 ? 0.6597 0.5763 0.3796 0.1599 -0.0441 0.0699 147 PHE D C 5460 O O . PHE D 148 ? 0.6762 0.5659 0.4116 0.1717 -0.0419 0.0820 147 PHE D O 5461 C CB . PHE D 148 ? 0.6088 0.5173 0.3223 0.1249 -0.0181 0.0460 147 PHE D CB 5462 C CG . PHE D 148 ? 0.5947 0.4820 0.3358 0.1257 -0.0067 0.0448 147 PHE D CG 5463 C CD1 . PHE D 148 ? 0.6006 0.4570 0.3361 0.1186 0.0088 0.0526 147 PHE D CD1 5464 C CD2 . PHE D 148 ? 0.5746 0.4778 0.3491 0.1329 -0.0114 0.0327 147 PHE D CD2 5465 C CE1 . PHE D 148 ? 0.5895 0.4281 0.3532 0.1179 0.0169 0.0478 147 PHE D CE1 5466 C CE2 . PHE D 148 ? 0.5669 0.4530 0.3655 0.1341 -0.0024 0.0262 147 PHE D CE2 5467 C CZ . PHE D 148 ? 0.5728 0.4251 0.3665 0.1260 0.0105 0.0333 147 PHE D CZ 5468 N N . TYR D 149 ? 0.6502 0.6072 0.3808 0.1627 -0.0593 0.0571 148 TYR D N 5469 C CA . TYR D 149 ? 0.6515 0.6324 0.4165 0.1811 -0.0728 0.0533 148 TYR D CA 5470 C C . TYR D 149 ? 0.6211 0.6513 0.4082 0.1709 -0.0786 0.0308 148 TYR D C 5471 O O . TYR D 149 ? 0.6188 0.6672 0.3881 0.1573 -0.0847 0.0252 148 TYR D O 5472 C CB . TYR D 149 ? 0.6959 0.6790 0.4466 0.2026 -0.0924 0.0745 148 TYR D CB 5473 C CG . TYR D 149 ? 0.6991 0.7067 0.4900 0.2264 -0.1081 0.0708 148 TYR D CG 5474 C CD1 . TYR D 149 ? 0.7149 0.6910 0.5310 0.2461 -0.1071 0.0793 148 TYR D CD1 5475 C CD2 . TYR D 149 ? 0.6856 0.7489 0.4939 0.2297 -0.1247 0.0569 148 TYR D CD2 5476 C CE1 . TYR D 149 ? 0.7187 0.7182 0.5759 0.2715 -0.1218 0.0722 148 TYR D CE1 5477 C CE2 . TYR D 149 ? 0.6857 0.7784 0.5355 0.2535 -0.1385 0.0515 148 TYR D CE2 5478 C CZ . TYR D 149 ? 0.7025 0.7631 0.5763 0.2759 -0.1369 0.0584 148 TYR D CZ 5479 O OH . TYR D 149 ? 0.7071 0.7981 0.6261 0.3027 -0.1508 0.0494 148 TYR D OH 5480 N N . PRO D 150 ? 0.6014 0.6546 0.4285 0.1759 -0.0759 0.0167 149 PRO D N 5481 C CA . PRO D 150 ? 0.6068 0.6416 0.4597 0.1918 -0.0689 0.0145 149 PRO D CA 5482 C C . PRO D 150 ? 0.5897 0.5951 0.4402 0.1765 -0.0487 0.0082 149 PRO D C 5483 O O . PRO D 150 ? 0.5798 0.5722 0.4058 0.1567 -0.0405 0.0108 149 PRO D O 5484 C CB . PRO D 150 ? 0.5894 0.6787 0.4835 0.2005 -0.0744 -0.0044 149 PRO D CB 5485 C CG . PRO D 150 ? 0.5604 0.6883 0.4515 0.1760 -0.0733 -0.0134 149 PRO D CG 5486 C CD . PRO D 150 ? 0.5740 0.6793 0.4252 0.1634 -0.0788 -0.0009 149 PRO D CD 5487 N N . ASP D 151 ? 0.5906 0.5881 0.4682 0.1867 -0.0422 -0.0026 150 ASP D N 5488 C CA . ASP D 151 ? 0.5851 0.5546 0.4617 0.1745 -0.0261 -0.0091 150 ASP D CA 5489 C C . ASP D 151 ? 0.5491 0.5518 0.4311 0.1559 -0.0162 -0.0262 150 ASP D C 5490 O O . ASP D 151 ? 0.5411 0.5347 0.4303 0.1506 -0.0058 -0.0370 150 ASP D O 5491 C CB . ASP D 151 ? 0.6088 0.5491 0.5109 0.1924 -0.0250 -0.0150 150 ASP D CB 5492 C CG . ASP D 151 ? 0.6163 0.5956 0.5554 0.2094 -0.0285 -0.0398 150 ASP D CG 5493 O OD1 . ASP D 151 ? 0.6218 0.6517 0.5690 0.2119 -0.0346 -0.0457 150 ASP D OD1 5494 O OD2 . ASP D 151 ? 0.6393 0.6010 0.6021 0.2200 -0.0249 -0.0556 150 ASP D OD2 5495 N N . HIS D 152 ? 0.5342 0.5750 0.4127 0.1449 -0.0206 -0.0270 151 HIS D N 5496 C CA . HIS D 152 ? 0.5062 0.5792 0.3900 0.1258 -0.0126 -0.0367 151 HIS D CA 5497 C C . HIS D 152 ? 0.4961 0.5439 0.3555 0.1043 -0.0070 -0.0281 151 HIS D C 5498 O O . HIS D 152 ? 0.4944 0.5516 0.3447 0.0911 -0.0123 -0.0234 151 HIS D O 5499 C CB . HIS D 152 ? 0.4998 0.6282 0.4007 0.1225 -0.0198 -0.0412 151 HIS D CB 5500 C CG . HIS D 152 ? 0.5028 0.6731 0.4359 0.1404 -0.0198 -0.0565 151 HIS D CG 5501 N ND1 . HIS D 152 ? 0.4944 0.7244 0.4482 0.1313 -0.0144 -0.0667 151 HIS D ND1 5502 C CD2 . HIS D 152 ? 0.5265 0.6886 0.4773 0.1675 -0.0240 -0.0642 151 HIS D CD2 5503 C CE1 . HIS D 152 ? 0.5046 0.7669 0.4869 0.1534 -0.0141 -0.0833 151 HIS D CE1 5504 N NE2 . HIS D 152 ? 0.5225 0.7414 0.5050 0.1766 -0.0211 -0.0831 151 HIS D NE2 5505 N N . VAL D 153 ? 0.4923 0.5089 0.3454 0.1017 0.0024 -0.0285 152 VAL D N 5506 C CA . VAL D 153 ? 0.4827 0.4773 0.3187 0.0847 0.0082 -0.0226 152 VAL D CA 5507 C C . VAL D 153 ? 0.4698 0.4678 0.3132 0.0771 0.0168 -0.0297 152 VAL D C 5508 O O . VAL D 153 ? 0.4717 0.4735 0.3282 0.0866 0.0202 -0.0404 152 VAL D O 5509 C CB . VAL D 153 ? 0.4983 0.4504 0.3148 0.0878 0.0104 -0.0123 152 VAL D CB 5510 C CG1 . VAL D 153 ? 0.5174 0.4707 0.3171 0.0921 0.0006 -0.0042 152 VAL D CG1 5511 C CG2 . VAL D 153 ? 0.5114 0.4383 0.3367 0.1002 0.0150 -0.0117 152 VAL D CG2 5512 N N . GLU D 154 ? 0.4598 0.4569 0.2958 0.0610 0.0186 -0.0249 153 GLU D N 5513 C CA . GLU D 154 ? 0.4504 0.4502 0.2895 0.0537 0.0241 -0.0278 153 GLU D CA 5514 C C . GLU D 154 ? 0.4514 0.4158 0.2815 0.0486 0.0270 -0.0222 153 GLU D C 5515 O O . GLU D 154 ? 0.4534 0.4063 0.2752 0.0412 0.0243 -0.0154 153 GLU D O 5516 C CB . GLU D 154 ? 0.4445 0.4790 0.2863 0.0397 0.0227 -0.0233 153 GLU D CB 5517 C CG . GLU D 154 ? 0.4450 0.5272 0.2986 0.0434 0.0238 -0.0309 153 GLU D CG 5518 N N . LEU D 155 ? 0.4515 0.4005 0.2870 0.0528 0.0322 -0.0277 154 LEU D N 5519 C CA . LEU D 155 ? 0.4521 0.3747 0.2850 0.0487 0.0367 -0.0240 154 LEU D CA 5520 C C . LEU D 155 ? 0.4401 0.3738 0.2806 0.0414 0.0359 -0.0264 154 LEU D C 5521 O O . LEU D 155 ? 0.4382 0.3925 0.2859 0.0424 0.0348 -0.0348 154 LEU D O 5522 C CB . LEU D 155 ? 0.4644 0.3622 0.3019 0.0556 0.0432 -0.0253 154 LEU D CB 5523 C CG . LEU D 155 ? 0.4772 0.3520 0.3110 0.0518 0.0510 -0.0193 154 LEU D CG 5524 C CD1 . LEU D 155 ? 0.5040 0.3562 0.3336 0.0573 0.0571 -0.0113 154 LEU D CD1 5525 C CD2 . LEU D 155 ? 0.4699 0.3467 0.3207 0.0458 0.0541 -0.0257 154 LEU D CD2 5526 N N . SER D 156 ? 0.4359 0.3578 0.2747 0.0358 0.0353 -0.0201 155 SER D N 5527 C CA . SER D 156 ? 0.4290 0.3598 0.2760 0.0309 0.0317 -0.0187 155 SER D CA 5528 C C . SER D 156 ? 0.4300 0.3401 0.2841 0.0314 0.0345 -0.0179 155 SER D C 5529 O O . SER D 156 ? 0.4371 0.3291 0.2848 0.0332 0.0387 -0.0172 155 SER D O 5530 C CB . SER D 156 ? 0.4296 0.3782 0.2719 0.0229 0.0236 -0.0079 155 SER D CB 5531 O OG . SER D 156 ? 0.4349 0.3694 0.2720 0.0191 0.0212 -0.0017 155 SER D OG 5532 N N . TRP D 157 ? 0.4254 0.3435 0.2932 0.0308 0.0319 -0.0200 156 TRP D N 5533 C CA . TRP D 157 ? 0.4237 0.3304 0.3055 0.0330 0.0341 -0.0212 156 TRP D CA 5534 C C . TRP D 157 ? 0.4293 0.3383 0.3170 0.0322 0.0227 -0.0121 156 TRP D C 5535 O O . TRP D 157 ? 0.4305 0.3571 0.3146 0.0284 0.0130 -0.0037 156 TRP D O 5536 C CB . TRP D 157 ? 0.4182 0.3338 0.3190 0.0334 0.0380 -0.0308 156 TRP D CB 5537 C CG . TRP D 157 ? 0.4171 0.3210 0.3194 0.0333 0.0499 -0.0364 156 TRP D CG 5538 C CD1 . TRP D 157 ? 0.4198 0.3244 0.3201 0.0331 0.0506 -0.0418 156 TRP D CD1 5539 C CD2 . TRP D 157 ? 0.4212 0.3108 0.3289 0.0334 0.0630 -0.0358 156 TRP D CD2 5540 N NE1 . TRP D 157 ? 0.4300 0.3157 0.3354 0.0326 0.0617 -0.0412 156 TRP D NE1 5541 C CE2 . TRP D 157 ? 0.4326 0.3115 0.3402 0.0315 0.0705 -0.0359 156 TRP D CE2 5542 C CE3 . TRP D 157 ? 0.4294 0.3161 0.3425 0.0356 0.0697 -0.0354 156 TRP D CE3 5543 C CZ2 . TRP D 157 ? 0.4513 0.3170 0.3610 0.0292 0.0850 -0.0304 156 TRP D CZ2 5544 C CZ3 . TRP D 157 ? 0.4436 0.3237 0.3579 0.0341 0.0859 -0.0344 156 TRP D CZ3 5545 C CH2 . TRP D 157 ? 0.4552 0.3250 0.3661 0.0297 0.0936 -0.0292 156 TRP D CH2 5546 N N . TRP D 158 ? 0.4368 0.3287 0.3339 0.0366 0.0239 -0.0134 157 TRP D N 5547 C CA . TRP D 158 ? 0.4468 0.3318 0.3546 0.0382 0.0115 -0.0045 157 TRP D CA 5548 C C . TRP D 158 ? 0.4506 0.3329 0.3840 0.0479 0.0129 -0.0127 157 TRP D C 5549 O O . TRP D 158 ? 0.4535 0.3276 0.3907 0.0528 0.0252 -0.0252 157 TRP D O 5550 C CB . TRP D 158 ? 0.4604 0.3238 0.3581 0.0348 0.0080 -0.0006 157 TRP D CB 5551 C CG . TRP D 158 ? 0.4555 0.3289 0.3345 0.0247 0.0060 0.0079 157 TRP D CG 5552 C CD1 . TRP D 158 ? 0.4477 0.3286 0.3115 0.0235 0.0144 0.0014 157 TRP D CD1 5553 C CD2 . TRP D 158 ? 0.4644 0.3454 0.3411 0.0147 -0.0048 0.0258 157 TRP D CD2 5554 N NE1 . TRP D 158 ? 0.4443 0.3404 0.2992 0.0149 0.0097 0.0105 157 TRP D NE1 5555 C CE2 . TRP D 158 ? 0.4576 0.3559 0.3193 0.0077 -0.0006 0.0261 157 TRP D CE2 5556 C CE3 . TRP D 158 ? 0.4761 0.3520 0.3631 0.0109 -0.0176 0.0440 157 TRP D CE3 5557 C CZ2 . TRP D 158 ? 0.4649 0.3809 0.3223 -0.0045 -0.0063 0.0423 157 TRP D CZ2 5558 C CZ3 . TRP D 158 ? 0.4916 0.3806 0.3712 -0.0026 -0.0238 0.0642 157 TRP D CZ3 5559 C CH2 . TRP D 158 ? 0.4785 0.3900 0.3437 -0.0111 -0.0169 0.0624 157 TRP D CH2 5560 N N . VAL D 159 ? 0.4534 0.3479 0.4040 0.0513 0.0005 -0.0054 158 VAL D N 5561 C CA . VAL D 159 ? 0.4583 0.3551 0.4400 0.0627 -0.0015 -0.0126 158 VAL D CA 5562 C C . VAL D 159 ? 0.4804 0.3607 0.4743 0.0690 -0.0194 0.0012 158 VAL D C 5563 O O . VAL D 159 ? 0.4883 0.3754 0.4752 0.0645 -0.0345 0.0211 158 VAL D O 5564 C CB . VAL D 159 ? 0.4483 0.3771 0.4485 0.0636 -0.0035 -0.0174 158 VAL D CB 5565 C CG1 . VAL D 159 ? 0.4522 0.3895 0.4907 0.0766 -0.0064 -0.0253 158 VAL D CG1 5566 C CG2 . VAL D 159 ? 0.4292 0.3675 0.4228 0.0557 0.0130 -0.0299 158 VAL D CG2 5567 N N . ASN D 160 ? 0.4944 0.3532 0.5063 0.0797 -0.0177 -0.0094 159 ASN D N 5568 C CA . ASN D 160 ? 0.5221 0.3542 0.5514 0.0874 -0.0350 0.0008 159 ASN D CA 5569 C C . ASN D 160 ? 0.5351 0.3470 0.5432 0.0735 -0.0460 0.0231 159 ASN D C 5570 O O . ASN D 160 ? 0.5582 0.3615 0.5747 0.0730 -0.0643 0.0470 159 ASN D O 5571 C CB . ASN D 160 ? 0.5338 0.3811 0.5940 0.0999 -0.0509 0.0100 159 ASN D CB 5572 C CG . ASN D 160 ? 0.5236 0.3961 0.6131 0.1127 -0.0398 -0.0131 159 ASN D CG 5573 O OD1 . ASN D 160 ? 0.5248 0.3901 0.6251 0.1204 -0.0251 -0.0354 159 ASN D OD1 5574 N ND2 . ASN D 160 ? 0.5139 0.4212 0.6172 0.1142 -0.0467 -0.0088 159 ASN D ND2 5575 N N . GLY D 161 ? 0.5239 0.3312 0.5060 0.0618 -0.0350 0.0172 160 GLY D N 5576 C CA . GLY D 161 ? 0.5349 0.3286 0.5009 0.0464 -0.0425 0.0349 160 GLY D CA 5577 C C . GLY D 161 ? 0.5275 0.3489 0.4759 0.0342 -0.0475 0.0592 160 GLY D C 5578 O O . GLY D 161 ? 0.5391 0.3554 0.4792 0.0205 -0.0545 0.0794 160 GLY D O 5579 N N . LYS D 162 ? 0.5105 0.3644 0.4547 0.0383 -0.0434 0.0556 161 LYS D N 5580 C CA . LYS D 162 ? 0.5083 0.3962 0.4333 0.0292 -0.0470 0.0716 161 LYS D CA 5581 C C . LYS D 162 ? 0.4815 0.3967 0.3926 0.0283 -0.0328 0.0521 161 LYS D C 5582 O O . LYS D 162 ? 0.4680 0.3844 0.3911 0.0365 -0.0249 0.0328 161 LYS D O 5583 C CB . LYS D 162 ? 0.5248 0.4273 0.4604 0.0353 -0.0637 0.0894 161 LYS D CB 5584 C CG . LYS D 162 ? 0.5628 0.4378 0.5089 0.0334 -0.0807 0.1185 161 LYS D CG 5585 C CD . LYS D 162 ? 0.5872 0.4797 0.5395 0.0401 -0.0998 0.1421 161 LYS D CD 5586 C CE . LYS D 162 ? 0.6344 0.4971 0.5932 0.0345 -0.1169 0.1791 161 LYS D CE 5587 N NZ . LYS D 162 ? 0.6659 0.5431 0.6302 0.0430 -0.1386 0.2076 161 LYS D NZ 5588 N N . GLU D 163 ? 0.4797 0.4166 0.3687 0.0180 -0.0294 0.0575 162 GLU D N 5589 C CA . GLU D 163 ? 0.4628 0.4198 0.3409 0.0180 -0.0173 0.0385 162 GLU D CA 5590 C C . GLU D 163 ? 0.4601 0.4448 0.3430 0.0229 -0.0200 0.0281 162 GLU D C 5591 O O . GLU D 163 ? 0.4740 0.4824 0.3527 0.0220 -0.0319 0.0404 162 GLU D O 5592 C CB . GLU D 163 ? 0.4618 0.4390 0.3201 0.0081 -0.0137 0.0447 162 GLU D CB 5593 C CG . GLU D 163 ? 0.4510 0.4432 0.3024 0.0112 -0.0024 0.0237 162 GLU D CG 5594 C CD . GLU D 163 ? 0.4619 0.4729 0.3005 0.0045 0.0021 0.0267 162 GLU D CD 5595 O OE1 . GLU D 163 ? 0.4819 0.5020 0.3155 -0.0060 -0.0025 0.0466 162 GLU D OE1 5596 O OE2 . GLU D 163 ? 0.4531 0.4705 0.2901 0.0098 0.0101 0.0098 162 GLU D OE2 5597 N N . VAL D 164 ? 0.4482 0.4302 0.3401 0.0272 -0.0100 0.0064 163 VAL D N 5598 C CA . VAL D 164 ? 0.4480 0.4543 0.3496 0.0295 -0.0125 -0.0085 163 VAL D CA 5599 C C . VAL D 164 ? 0.4470 0.4669 0.3389 0.0273 -0.0048 -0.0259 163 VAL D C 5600 O O . VAL D 164 ? 0.4427 0.4460 0.3274 0.0269 0.0053 -0.0288 163 VAL D O 5601 C CB . VAL D 164 ? 0.4400 0.4346 0.3708 0.0348 -0.0087 -0.0200 163 VAL D CB 5602 C CG1 . VAL D 164 ? 0.4489 0.4370 0.3950 0.0410 -0.0190 -0.0070 163 VAL D CG1 5603 C CG2 . VAL D 164 ? 0.4315 0.3988 0.3648 0.0347 0.0081 -0.0282 163 VAL D CG2 5604 N N . HIS D 165 ? 0.4560 0.5070 0.3488 0.0273 -0.0115 -0.0390 164 HIS D N 5605 C CA . HIS D 165 ? 0.4592 0.5229 0.3487 0.0276 -0.0063 -0.0616 164 HIS D CA 5606 C C . HIS D 165 ? 0.4599 0.5306 0.3736 0.0278 -0.0096 -0.0855 164 HIS D C 5607 O O . HIS D 165 ? 0.4615 0.5207 0.3868 0.0280 -0.0027 -0.1054 164 HIS D O 5608 C CB . HIS D 165 ? 0.4720 0.5750 0.3356 0.0263 -0.0108 -0.0602 164 HIS D CB 5609 C CG . HIS D 165 ? 0.4837 0.5829 0.3296 0.0228 -0.0058 -0.0387 164 HIS D CG 5610 N ND1 . HIS D 165 ? 0.4851 0.5684 0.3304 0.0244 0.0048 -0.0436 164 HIS D ND1 5611 C CD2 . HIS D 165 ? 0.5014 0.6104 0.3329 0.0166 -0.0114 -0.0112 164 HIS D CD2 5612 C CE1 . HIS D 165 ? 0.4878 0.5753 0.3205 0.0186 0.0057 -0.0230 164 HIS D CE1 5613 N NE2 . HIS D 165 ? 0.5029 0.6036 0.3277 0.0126 -0.0033 -0.0025 164 HIS D NE2 5614 N N . SER D 166 ? 0.4615 0.5505 0.3863 0.0276 -0.0216 -0.0830 165 SER D N 5615 C CA . SER D 166 ? 0.4632 0.5624 0.4176 0.0257 -0.0264 -0.1055 165 SER D CA 5616 C C . SER D 166 ? 0.4535 0.5167 0.4367 0.0228 -0.0123 -0.1087 165 SER D C 5617 O O . SER D 166 ? 0.4469 0.4880 0.4317 0.0247 -0.0047 -0.0909 165 SER D O 5618 C CB . SER D 166 ? 0.4703 0.5995 0.4328 0.0278 -0.0440 -0.0986 165 SER D CB 5619 O OG . SER D 166 ? 0.4717 0.6140 0.4693 0.0247 -0.0493 -0.1211 165 SER D OG 5620 N N . GLY D 167 ? 0.4588 0.5166 0.4645 0.0176 -0.0085 -0.1316 166 GLY D N 5621 C CA . GLY D 167 ? 0.4562 0.4828 0.4899 0.0116 0.0060 -0.1318 166 GLY D CA 5622 C C . GLY D 167 ? 0.4550 0.4445 0.4713 0.0137 0.0213 -0.1188 166 GLY D C 5623 O O . GLY D 167 ? 0.4573 0.4223 0.4868 0.0097 0.0349 -0.1102 166 GLY D O 5624 N N . VAL D 168 ? 0.4556 0.4463 0.4423 0.0199 0.0190 -0.1167 167 VAL D N 5625 C CA . VAL D 168 ? 0.4578 0.4198 0.4274 0.0237 0.0298 -0.1049 167 VAL D CA 5626 C C . VAL D 168 ? 0.4752 0.4279 0.4491 0.0266 0.0303 -0.1223 167 VAL D C 5627 O O . VAL D 168 ? 0.4827 0.4604 0.4567 0.0289 0.0211 -0.1431 167 VAL D O 5628 C CB . VAL D 168 ? 0.4479 0.4193 0.3859 0.0286 0.0270 -0.0881 167 VAL D CB 5629 C CG1 . VAL D 168 ? 0.4471 0.3959 0.3694 0.0328 0.0352 -0.0794 167 VAL D CG1 5630 C CG2 . VAL D 168 ? 0.4418 0.4134 0.3796 0.0277 0.0254 -0.0718 167 VAL D CG2 5631 N N . CYS D 169 ? 0.4884 0.4062 0.4661 0.0278 0.0401 -0.1145 168 CYS D N 5632 C CA . CYS D 169 ? 0.5098 0.4139 0.4892 0.0355 0.0394 -0.1259 168 CYS D CA 5633 C C . CYS D 169 ? 0.5149 0.3880 0.4820 0.0407 0.0478 -0.1045 168 CYS D C 5634 O O . CYS D 169 ? 0.5234 0.3711 0.4959 0.0348 0.0567 -0.0880 168 CYS D O 5635 C CB . CYS D 169 ? 0.5325 0.4236 0.5463 0.0313 0.0363 -0.1499 168 CYS D CB 5636 S SG . CYS D 169 ? 0.5805 0.4160 0.6193 0.0265 0.0464 -0.1365 168 CYS D SG 5637 N N . THR D 170 ? 0.5146 0.3961 0.4646 0.0517 0.0446 -0.1047 169 THR D N 5638 C CA . THR D 170 ? 0.5209 0.3806 0.4577 0.0590 0.0485 -0.0861 169 THR D CA 5639 C C . THR D 170 ? 0.5454 0.3887 0.4986 0.0711 0.0447 -0.0982 169 THR D C 5640 O O . THR D 170 ? 0.5487 0.4119 0.5132 0.0772 0.0388 -0.1240 169 THR D O 5641 C CB . THR D 170 ? 0.5012 0.3864 0.4109 0.0623 0.0461 -0.0760 169 THR D CB 5642 O OG1 . THR D 170 ? 0.4840 0.3819 0.3837 0.0526 0.0469 -0.0679 169 THR D OG1 5643 C CG2 . THR D 170 ? 0.5064 0.3729 0.4018 0.0687 0.0479 -0.0574 169 THR D CG2 5644 N N . ASP D 171 ? 0.5677 0.3759 0.5218 0.0757 0.0476 -0.0798 170 ASP D N 5645 C CA . ASP D 171 ? 0.5987 0.3831 0.5717 0.0899 0.0422 -0.0867 170 ASP D CA 5646 C C . ASP D 171 ? 0.5903 0.4093 0.5606 0.1057 0.0349 -0.1059 170 ASP D C 5647 O O . ASP D 171 ? 0.5679 0.4180 0.5147 0.1064 0.0349 -0.0977 170 ASP D O 5648 C CB . ASP D 171 ? 0.6237 0.3732 0.5875 0.0944 0.0444 -0.0554 170 ASP D CB 5649 C CG . ASP D 171 ? 0.6441 0.3651 0.6094 0.0779 0.0550 -0.0338 170 ASP D CG 5650 O OD1 . ASP D 171 ? 0.6454 0.3640 0.6327 0.0645 0.0589 -0.0462 170 ASP D OD1 5651 O OD2 . ASP D 171 ? 0.6686 0.3746 0.6131 0.0782 0.0594 -0.0048 170 ASP D OD2 5652 N N . PRO D 172 ? 0.6124 0.4282 0.6099 0.1176 0.0292 -0.1336 171 PRO D N 5653 C CA . PRO D 172 ? 0.6085 0.4641 0.6067 0.1342 0.0246 -0.1549 171 PRO D CA 5654 C C . PRO D 172 ? 0.6136 0.4682 0.6033 0.1481 0.0215 -0.1345 171 PRO D C 5655 O O . PRO D 172 ? 0.5951 0.4947 0.5724 0.1528 0.0211 -0.1371 171 PRO D O 5656 C CB . PRO D 172 ? 0.6409 0.4805 0.6754 0.1467 0.0189 -0.1892 171 PRO D CB 5657 C CG . PRO D 172 ? 0.6540 0.4569 0.7043 0.1300 0.0201 -0.1903 171 PRO D CG 5658 C CD . PRO D 172 ? 0.6466 0.4226 0.6788 0.1164 0.0268 -0.1484 171 PRO D CD 5659 N N . GLN D 173 ? 0.6441 0.4500 0.6408 0.1532 0.0189 -0.1123 172 GLN D N 5660 C CA . GLN D 173 ? 0.6565 0.4596 0.6445 0.1677 0.0129 -0.0906 172 GLN D CA 5661 C C . GLN D 173 ? 0.6632 0.4341 0.6271 0.1571 0.0160 -0.0522 172 GLN D C 5662 O O . GLN D 173 ? 0.6776 0.4138 0.6443 0.1436 0.0225 -0.0417 172 GLN D O 5663 C CB . GLN D 173 ? 0.6963 0.4769 0.7185 0.1930 0.0027 -0.1023 172 GLN D CB 5664 C CG . GLN D 173 ? 0.7002 0.5267 0.7437 0.2099 -0.0002 -0.1418 172 GLN D CG 5665 C CD . GLN D 173 ? 0.6913 0.5733 0.7220 0.2187 -0.0023 -0.1385 172 GLN D CD 5666 O OE1 . GLN D 173 ? 0.6566 0.5763 0.6602 0.2017 0.0039 -0.1311 172 GLN D OE1 5667 N NE2 . GLN D 173 ? 0.7151 0.6024 0.7702 0.2453 -0.0122 -0.1445 172 GLN D NE2 5668 N N . PRO D 174 ? 0.6564 0.4438 0.5966 0.1624 0.0116 -0.0327 173 PRO D N 5669 C CA . PRO D 174 ? 0.6726 0.4329 0.5871 0.1567 0.0131 0.0019 173 PRO D CA 5670 C C . PRO D 174 ? 0.7201 0.4358 0.6502 0.1720 0.0054 0.0205 173 PRO D C 5671 O O . PRO D 174 ? 0.7370 0.4492 0.6971 0.1919 -0.0044 0.0055 173 PRO D O 5672 C CB . PRO D 174 ? 0.6558 0.4540 0.5444 0.1602 0.0068 0.0091 173 PRO D CB 5673 C CG . PRO D 174 ? 0.6257 0.4714 0.5271 0.1612 0.0056 -0.0189 173 PRO D CG 5674 C CD . PRO D 174 ? 0.6345 0.4723 0.5703 0.1715 0.0055 -0.0429 173 PRO D CD 5675 N N . LEU D 175 ? 0.7456 0.4284 0.6569 0.1635 0.0103 0.0534 174 LEU D N 5676 C CA . LEU D 175 ? 0.7998 0.4385 0.7211 0.1771 0.0018 0.0806 174 LEU D CA 5677 C C . LEU D 175 ? 0.8175 0.4677 0.7033 0.1878 -0.0076 0.1106 174 LEU D C 5678 O O . LEU D 175 ? 0.7939 0.4766 0.6432 0.1779 -0.0033 0.1145 174 LEU D O 5679 C CB . LEU D 175 ? 0.8344 0.4240 0.7658 0.1599 0.0132 0.1004 174 LEU D CB 5680 C CG . LEU D 175 ? 0.8224 0.4175 0.7306 0.1325 0.0324 0.1116 174 LEU D CG 5681 C CD1 . LEU D 175 ? 0.8406 0.4482 0.6999 0.1298 0.0360 0.1447 174 LEU D CD1 5682 C CD2 . LEU D 175 ? 0.8552 0.4045 0.7939 0.1168 0.0417 0.1219 174 LEU D CD2 5683 N N . LYS D 176 ? 0.8629 0.4870 0.7617 0.2095 -0.0227 0.1300 175 LYS D N 5684 C CA . LYS D 176 ? 0.8897 0.5248 0.7558 0.2224 -0.0357 0.1609 175 LYS D CA 5685 C C . LYS D 176 ? 0.9335 0.5380 0.7646 0.2084 -0.0268 0.2048 175 LYS D C 5686 O O . LYS D 176 ? 0.9730 0.5276 0.8229 0.2020 -0.0206 0.2240 175 LYS D O 5687 C CB . LYS D 176 ? 0.9258 0.5491 0.8226 0.2546 -0.0581 0.1649 175 LYS D CB 5688 C CG . LYS D 176 ? 0.8869 0.5537 0.8163 0.2707 -0.0659 0.1220 175 LYS D CG 5689 C CD . LYS D 176 ? 0.9267 0.5950 0.8828 0.3055 -0.0894 0.1273 175 LYS D CD 5690 C CE . LYS D 176 ? 0.8857 0.6118 0.8721 0.3201 -0.0946 0.0848 175 LYS D CE 5691 N NZ . LYS D 176 ? 0.9260 0.6594 0.9444 0.3568 -0.1180 0.0876 175 LYS D NZ 5692 N N . GLU D 177 ? 0.9297 0.5666 0.7108 0.2024 -0.0256 0.2193 176 GLU D N 5693 C CA . GLU D 177 ? 0.9734 0.5949 0.7129 0.1896 -0.0154 0.2598 176 GLU D CA 5694 C C . GLU D 177 ? 1.0475 0.6382 0.7799 0.2082 -0.0319 0.3045 176 GLU D C 5695 O O . GLU D 177 ? 1.1012 0.6560 0.8214 0.1979 -0.0225 0.3438 176 GLU D O 5696 C CB . GLU D 177 ? 0.9508 0.6206 0.6387 0.1797 -0.0101 0.2546 176 GLU D CB 5697 C CG . GLU D 177 ? 0.8862 0.5798 0.5795 0.1602 0.0067 0.2176 176 GLU D CG 5698 C CD . GLU D 177 ? 0.8694 0.6043 0.5166 0.1519 0.0105 0.2101 176 GLU D CD 5699 O OE1 . GLU D 177 ? 0.9117 0.6626 0.5199 0.1610 -0.0004 0.2298 176 GLU D OE1 5700 O OE2 . GLU D 177 ? 0.8229 0.5743 0.4734 0.1373 0.0230 0.1834 176 GLU D OE2 5701 N N . GLN D 178 ? 1.0536 0.6604 0.7956 0.2353 -0.0567 0.2999 177 GLN D N 5702 C CA . GLN D 178 ? 1.1245 0.7025 0.8679 0.2590 -0.0780 0.3402 177 GLN D CA 5703 C C . GLN D 178 ? 1.1241 0.6824 0.9310 0.2852 -0.0952 0.3182 177 GLN D C 5704 O O . GLN D 178 ? 1.1103 0.7056 0.9277 0.3085 -0.1151 0.3015 177 GLN D O 5705 C CB . GLN D 178 ? 1.1438 0.7676 0.8381 0.2723 -0.0963 0.3573 177 GLN D CB 5706 C CG . GLN D 178 ? 1.1397 0.7976 0.7696 0.2498 -0.0810 0.3652 177 GLN D CG 5707 C CD . GLN D 178 ? 1.2110 0.8389 0.8016 0.2386 -0.0697 0.4186 177 GLN D CD 5708 O OE1 . GLN D 178 ? 1.2758 0.8602 0.8773 0.2512 -0.0807 0.4603 177 GLN D OE1 5709 N NE2 . GLN D 178 ? 1.2043 0.8564 0.7500 0.2148 -0.0473 0.4185 177 GLN D NE2 5710 N N . PRO D 179 ? 1.1416 0.6446 0.9942 0.2815 -0.0878 0.3150 178 PRO D N 5711 C CA . PRO D 179 ? 1.1456 0.6294 1.0611 0.3075 -0.1030 0.2873 178 PRO D CA 5712 C C . PRO D 179 ? 1.2056 0.6772 1.1333 0.3440 -0.1327 0.3147 178 PRO D C 5713 O O . PRO D 179 ? 1.1993 0.6806 1.1739 0.3720 -0.1484 0.2849 178 PRO D O 5714 C CB . PRO D 179 ? 1.1727 0.5903 1.1265 0.2929 -0.0905 0.2887 178 PRO D CB 5715 C CG . PRO D 179 ? 1.1483 0.5731 1.0654 0.2552 -0.0639 0.2974 178 PRO D CG 5716 C CD . PRO D 179 ? 1.1599 0.6191 1.0121 0.2525 -0.0651 0.3328 178 PRO D CD 5717 N N . ALA D 180 ? 1.2662 0.7211 1.1520 0.3446 -0.1404 0.3709 179 ALA D N 5718 C CA . ALA D 180 ? 1.3295 0.7766 1.2194 0.3796 -0.1714 0.4040 179 ALA D CA 5719 C C . ALA D 180 ? 1.2919 0.8172 1.1642 0.3979 -0.1887 0.3829 179 ALA D C 5720 O O . ALA D 180 ? 1.3108 0.8470 1.2183 0.4329 -0.2147 0.3775 179 ALA D O 5721 C CB . ALA D 180 ? 1.4111 0.8206 1.2551 0.3723 -0.1738 0.4746 179 ALA D CB 5722 N N . LEU D 181 ? 1.2412 0.8210 1.0638 0.3741 -0.1750 0.3695 180 LEU D N 5723 C CA . LEU D 181 ? 1.2044 0.8597 1.0105 0.3844 -0.1898 0.3473 180 LEU D CA 5724 C C . LEU D 181 ? 1.1356 0.8297 0.9928 0.3901 -0.1872 0.2880 180 LEU D C 5725 O O . LEU D 181 ? 1.0944 0.7744 0.9739 0.3725 -0.1652 0.2577 180 LEU D O 5726 C CB . LEU D 181 ? 1.1820 0.8762 0.9199 0.3563 -0.1767 0.3519 180 LEU D CB 5727 N N . ASN D 182 ? 1.1273 0.8753 1.0021 0.4141 -0.2099 0.2729 181 ASN D N 5728 C CA . ASN D 182 ? 1.0721 0.8653 0.9994 0.4235 -0.2092 0.2211 181 ASN D CA 5729 C C . ASN D 182 ? 0.9963 0.8364 0.9074 0.3915 -0.1875 0.1844 181 ASN D C 5730 O O . ASN D 182 ? 0.9549 0.7956 0.8965 0.3822 -0.1698 0.1498 181 ASN D O 5731 C CB . ASN D 182 ? 1.0881 0.9316 1.0427 0.4579 -0.2400 0.2183 181 ASN D CB 5732 N N . ASP D 183 ? 0.9834 0.8623 0.8468 0.3754 -0.1904 0.1920 182 ASP D N 5733 C CA . ASP D 183 ? 0.9197 0.8386 0.7669 0.3451 -0.1730 0.1616 182 ASP D CA 5734 C C . ASP D 183 ? 0.9180 0.8025 0.7154 0.3153 -0.1515 0.1764 182 ASP D C 5735 O O . ASP D 183 ? 0.9054 0.8170 0.6622 0.2966 -0.1488 0.1743 182 ASP D O 5736 C CB . ASP D 183 ? 0.9050 0.8937 0.7431 0.3463 -0.1913 0.1507 182 ASP D CB 5737 C CG . ASP D 183 ? 0.9718 0.9651 0.7757 0.3635 -0.2174 0.1862 182 ASP D CG 5738 O OD1 . ASP D 183 ? 1.0219 0.9739 0.7788 0.3571 -0.2128 0.2200 182 ASP D OD1 5739 O OD2 . ASP D 183 ? 0.9832 1.0264 0.8072 0.3832 -0.2425 0.1809 182 ASP D OD2 5740 N N . SER D 184 ? 0.9336 0.7597 0.7391 0.3115 -0.1367 0.1886 183 SER D N 5741 C CA . SER D 184 ? 0.9356 0.7284 0.7032 0.2851 -0.1149 0.2042 183 SER D CA 5742 C C . SER D 184 ? 0.8722 0.6905 0.6324 0.2578 -0.0952 0.1717 183 SER D C 5743 O O . SER D 184 ? 0.8274 0.6671 0.6229 0.2565 -0.0913 0.1385 183 SER D O 5744 C CB . SER D 184 ? 0.9657 0.6939 0.7586 0.2859 -0.1044 0.2191 183 SER D CB 5745 O OG . SER D 184 ? 0.9676 0.6700 0.7319 0.2587 -0.0814 0.2315 183 SER D OG 5746 N N . ARG D 185 ? 0.8734 0.6911 0.5877 0.2372 -0.0829 0.1821 184 ARG D N 5747 C CA . ARG D 185 ? 0.8226 0.6537 0.5303 0.2120 -0.0638 0.1559 184 ARG D CA 5748 C C . ARG D 185 ? 0.8052 0.5982 0.5392 0.2012 -0.0441 0.1500 184 ARG D C 5749 O O . ARG D 185 ? 0.8426 0.5929 0.5853 0.2061 -0.0411 0.1729 184 ARG D O 5750 C CB . ARG D 185 ? 0.8374 0.6796 0.4916 0.1969 -0.0571 0.1657 184 ARG D CB 5751 C CG . ARG D 185 ? 0.8388 0.7298 0.4718 0.1981 -0.0737 0.1515 184 ARG D CG 5752 C CD . ARG D 185 ? 0.9127 0.8168 0.5250 0.2191 -0.0975 0.1765 184 ARG D CD 5753 N NE . ARG D 185 ? 0.9248 0.8800 0.5240 0.2202 -0.1168 0.1587 184 ARG D NE 5754 C CZ . ARG D 185 ? 0.9551 0.9316 0.5067 0.2108 -0.1193 0.1563 184 ARG D CZ 5755 N NH1 . ARG D 185 ? 0.9838 0.9395 0.4940 0.2005 -0.1013 0.1710 184 ARG D NH1 5756 N NH2 . ARG D 185 ? 0.9550 0.9776 0.5028 0.2114 -0.1395 0.1364 184 ARG D NH2 5757 N N . TYR D 186 ? 0.7511 0.5599 0.4993 0.1858 -0.0322 0.1204 185 TYR D N 5758 C CA . TYR D 186 ? 0.7311 0.5139 0.5080 0.1765 -0.0171 0.1082 185 TYR D CA 5759 C C . TYR D 186 ? 0.7180 0.4910 0.4755 0.1533 0.0025 0.1092 185 TYR D C 5760 O O . TYR D 186 ? 0.7123 0.5048 0.4370 0.1440 0.0056 0.1102 185 TYR D O 5761 C CB . TYR D 186 ? 0.6876 0.4993 0.4978 0.1783 -0.0189 0.0744 185 TYR D CB 5762 C CG . TYR D 186 ? 0.6962 0.5211 0.5373 0.2025 -0.0348 0.0669 185 TYR D CG 5763 C CD1 . TYR D 186 ? 0.7137 0.5087 0.5905 0.2163 -0.0359 0.0616 185 TYR D CD1 5764 C CD2 . TYR D 186 ? 0.6856 0.5548 0.5249 0.2121 -0.0492 0.0618 185 TYR D CD2 5765 C CE1 . TYR D 186 ? 0.7288 0.5378 0.6385 0.2419 -0.0503 0.0507 185 TYR D CE1 5766 C CE2 . TYR D 186 ? 0.6977 0.5858 0.5707 0.2362 -0.0634 0.0530 185 TYR D CE2 5767 C CZ . TYR D 186 ? 0.7187 0.5765 0.6266 0.2525 -0.0635 0.0470 185 TYR D CZ 5768 O OH . TYR D 186 ? 0.7332 0.6108 0.6784 0.2798 -0.0774 0.0348 185 TYR D OH 5769 N N . SER D 187 ? 0.7148 0.4594 0.4962 0.1450 0.0147 0.1059 186 SER D N 5770 C CA . SER D 187 ? 0.6955 0.4377 0.4712 0.1241 0.0329 0.1004 186 SER D CA 5771 C C . SER D 187 ? 0.6615 0.4051 0.4730 0.1178 0.0374 0.0728 186 SER D C 5772 O O . SER D 187 ? 0.6693 0.3998 0.5119 0.1276 0.0312 0.0633 186 SER D O 5773 C CB . SER D 187 ? 0.7353 0.4457 0.5005 0.1153 0.0457 0.1293 186 SER D CB 5774 O OG . SER D 187 ? 0.7601 0.4822 0.4809 0.1154 0.0468 0.1509 186 SER D OG 5775 N N . LEU D 188 ? 0.6283 0.3891 0.4354 0.1030 0.0469 0.0590 187 LEU D N 5776 C CA . LEU D 188 ? 0.5989 0.3662 0.4341 0.0959 0.0503 0.0351 187 LEU D CA 5777 C C . LEU D 188 ? 0.5926 0.3547 0.4300 0.0790 0.0646 0.0352 187 LEU D C 5778 O O . LEU D 188 ? 0.5917 0.3619 0.4056 0.0724 0.0718 0.0436 187 LEU D O 5779 C CB . LEU D 188 ? 0.5618 0.3664 0.3963 0.0975 0.0429 0.0153 187 LEU D CB 5780 C CG . LEU D 188 ? 0.5328 0.3535 0.3895 0.0919 0.0441 -0.0079 187 LEU D CG 5781 C CD1 . LEU D 188 ? 0.5414 0.3478 0.4279 0.1004 0.0414 -0.0207 187 LEU D CD1 5782 C CD2 . LEU D 188 ? 0.5027 0.3621 0.3540 0.0919 0.0378 -0.0191 187 LEU D CD2 5783 N N . SER D 189 ? 0.5908 0.3428 0.4590 0.0730 0.0678 0.0228 188 SER D N 5784 C CA . SER D 189 ? 0.5846 0.3374 0.4637 0.0573 0.0796 0.0200 188 SER D CA 5785 C C . SER D 189 ? 0.5522 0.3284 0.4496 0.0533 0.0752 -0.0059 188 SER D C 5786 O O . SER D 189 ? 0.5465 0.3298 0.4569 0.0604 0.0659 -0.0230 188 SER D O 5787 C CB . SER D 189 ? 0.6180 0.3385 0.5202 0.0493 0.0876 0.0323 188 SER D CB 5788 O OG . SER D 189 ? 0.6156 0.3438 0.5341 0.0333 0.0993 0.0282 188 SER D OG 5789 N N . SER D 190 ? 0.5343 0.3255 0.4320 0.0432 0.0818 -0.0088 189 SER D N 5790 C CA . SER D 190 ? 0.5084 0.3230 0.4218 0.0390 0.0766 -0.0286 189 SER D CA 5791 C C . SER D 190 ? 0.5049 0.3247 0.4358 0.0275 0.0855 -0.0293 189 SER D C 5792 O O . SER D 190 ? 0.5147 0.3279 0.4390 0.0232 0.0976 -0.0152 189 SER D O 5793 C CB . SER D 190 ? 0.4859 0.3249 0.3786 0.0436 0.0688 -0.0318 189 SER D CB 5794 O OG . SER D 190 ? 0.4697 0.3321 0.3740 0.0402 0.0623 -0.0460 189 SER D OG 5795 N N . ARG D 191 ? 0.4919 0.3293 0.4452 0.0231 0.0792 -0.0468 190 ARG D N 5796 C CA . ARG D 191 ? 0.4888 0.3369 0.4674 0.0129 0.0851 -0.0506 190 ARG D CA 5797 C C . ARG D 191 ? 0.4661 0.3451 0.4485 0.0145 0.0744 -0.0624 190 ARG D C 5798 O O . ARG D 191 ? 0.4564 0.3492 0.4310 0.0192 0.0619 -0.0726 190 ARG D O 5799 C CB . ARG D 191 ? 0.5085 0.3445 0.5227 0.0031 0.0865 -0.0599 190 ARG D CB 5800 C CG . ARG D 191 ? 0.5478 0.3478 0.5633 0.0003 0.0959 -0.0435 190 ARG D CG 5801 C CD . ARG D 191 ? 0.5897 0.3698 0.6266 0.0017 0.0863 -0.0586 190 ARG D CD 5802 N NE . ARG D 191 ? 0.6412 0.3843 0.6697 0.0073 0.0893 -0.0403 190 ARG D NE 5803 C CZ . ARG D 191 ? 0.6538 0.3926 0.6555 0.0234 0.0825 -0.0361 190 ARG D CZ 5804 N NH1 . ARG D 191 ? 0.6942 0.3997 0.6921 0.0296 0.0832 -0.0176 190 ARG D NH1 5805 N NH2 . ARG D 191 ? 0.6250 0.3941 0.6062 0.0329 0.0744 -0.0485 190 ARG D NH2 5806 N N . LEU D 192 ? 0.4601 0.3521 0.4547 0.0113 0.0795 -0.0599 191 LEU D N 5807 C CA . LEU D 192 ? 0.4442 0.3642 0.4499 0.0133 0.0679 -0.0684 191 LEU D CA 5808 C C . LEU D 192 ? 0.4456 0.3816 0.4909 0.0053 0.0725 -0.0759 191 LEU D C 5809 O O . LEU D 192 ? 0.4509 0.3859 0.5063 0.0027 0.0873 -0.0689 191 LEU D O 5810 C CB . LEU D 192 ? 0.4341 0.3564 0.4192 0.0217 0.0657 -0.0583 191 LEU D CB 5811 C CG . LEU D 192 ? 0.4281 0.3736 0.4262 0.0260 0.0529 -0.0609 191 LEU D CG 5812 C CD1 . LEU D 192 ? 0.4280 0.3938 0.4240 0.0256 0.0357 -0.0673 191 LEU D CD1 5813 C CD2 . LEU D 192 ? 0.4234 0.3602 0.4045 0.0340 0.0505 -0.0507 191 LEU D CD2 5814 N N . ARG D 193 ? 0.4446 0.4006 0.5130 0.0012 0.0599 -0.0919 192 ARG D N 5815 C CA . ARG D 193 ? 0.4464 0.4242 0.5587 -0.0076 0.0614 -0.1017 192 ARG D CA 5816 C C . ARG D 193 ? 0.4348 0.4478 0.5585 -0.0002 0.0455 -0.1069 192 ARG D C 5817 O O . ARG D 193 ? 0.4333 0.4620 0.5442 0.0045 0.0270 -0.1133 192 ARG D O 5818 C CB . ARG D 193 ? 0.4608 0.4356 0.6013 -0.0203 0.0583 -0.1186 192 ARG D CB 5819 C CG . ARG D 193 ? 0.4731 0.4570 0.6616 -0.0358 0.0697 -0.1216 192 ARG D CG 5820 C CD . ARG D 193 ? 0.4978 0.4661 0.7160 -0.0510 0.0678 -0.1364 192 ARG D CD 5821 N NE . ARG D 193 ? 0.5054 0.4837 0.7746 -0.0700 0.0796 -0.1370 192 ARG D NE 5822 C CZ . ARG D 193 ? 0.5296 0.5034 0.8415 -0.0874 0.0751 -0.1540 192 ARG D CZ 5823 N NH1 . ARG D 193 ? 0.5432 0.5294 0.9046 -0.1074 0.0876 -0.1515 192 ARG D NH1 5824 N NH2 . ARG D 193 ? 0.5430 0.5019 0.8509 -0.0855 0.0584 -0.1754 192 ARG D NH2 5825 N N . VAL D 194 ? 0.4312 0.4589 0.5790 0.0016 0.0531 -0.1033 193 VAL D N 5826 C CA . VAL D 194 ? 0.4251 0.4855 0.5923 0.0110 0.0375 -0.1068 193 VAL D CA 5827 C C . VAL D 194 ? 0.4277 0.5199 0.6498 0.0024 0.0412 -0.1194 193 VAL D C 5828 O O . VAL D 194 ? 0.4337 0.5192 0.6763 -0.0120 0.0594 -0.1217 193 VAL D O 5829 C CB . VAL D 194 ? 0.4221 0.4741 0.5739 0.0261 0.0399 -0.0934 193 VAL D CB 5830 C CG1 . VAL D 194 ? 0.4224 0.4522 0.5280 0.0329 0.0297 -0.0815 193 VAL D CG1 5831 C CG2 . VAL D 194 ? 0.4219 0.4600 0.5760 0.0243 0.0659 -0.0895 193 VAL D CG2 5832 N N . SER D 195 ? 0.4259 0.5543 0.6739 0.0107 0.0233 -0.1256 194 SER D N 5833 C CA . SER D 195 ? 0.4269 0.5940 0.7332 0.0048 0.0257 -0.1379 194 SER D CA 5834 C C . SER D 195 ? 0.4262 0.5946 0.7482 0.0105 0.0489 -0.1310 194 SER D C 5835 O O . SER D 195 ? 0.4238 0.5722 0.7165 0.0258 0.0518 -0.1201 194 SER D O 5836 C CB . SER D 195 ? 0.4268 0.6355 0.7552 0.0159 -0.0030 -0.1453 194 SER D CB 5837 O OG . SER D 195 ? 0.4270 0.6334 0.7431 0.0375 -0.0109 -0.1312 194 SER D OG 5838 N N . ALA D 196 ? 0.4305 0.6247 0.8000 -0.0027 0.0658 -0.1389 195 ALA D N 5839 C CA . ALA D 196 ? 0.4334 0.6410 0.8217 0.0014 0.0911 -0.1357 195 ALA D CA 5840 C C . ALA D 196 ? 0.4308 0.6571 0.8285 0.0280 0.0794 -0.1382 195 ALA D C 5841 O O . ALA D 196 ? 0.4347 0.6485 0.8155 0.0408 0.0939 -0.1342 195 ALA D O 5842 C CB . ALA D 196 ? 0.4386 0.6848 0.8863 -0.0183 0.1077 -0.1445 195 ALA D CB 5843 N N . THR D 197 ? 0.4288 0.6838 0.8529 0.0372 0.0512 -0.1454 196 THR D N 5844 C CA . THR D 197 ? 0.4339 0.7044 0.8731 0.0641 0.0350 -0.1454 196 THR D CA 5845 C C . THR D 197 ? 0.4400 0.6621 0.8241 0.0799 0.0266 -0.1302 196 THR D C 5846 O O . THR D 197 ? 0.4494 0.6670 0.8410 0.1009 0.0250 -0.1295 196 THR D O 5847 C CB . THR D 197 ? 0.4341 0.7490 0.9133 0.0705 0.0031 -0.1529 196 THR D CB 5848 O OG1 . THR D 197 ? 0.4444 0.7790 0.9531 0.0979 -0.0094 -0.1529 196 THR D OG1 5849 C CG2 . THR D 197 ? 0.4387 0.7365 0.8754 0.0678 -0.0242 -0.1447 196 THR D CG2 5850 N N . PHE D 198 ? 0.4396 0.6266 0.7730 0.0694 0.0216 -0.1198 197 PHE D N 5851 C CA . PHE D 198 ? 0.4447 0.5877 0.7276 0.0789 0.0167 -0.1048 197 PHE D CA 5852 C C . PHE D 198 ? 0.4490 0.5639 0.7104 0.0784 0.0440 -0.1047 197 PHE D C 5853 O O . PHE D 198 ? 0.4599 0.5516 0.7056 0.0928 0.0422 -0.1007 197 PHE D O 5854 C CB . PHE D 198 ? 0.4406 0.5645 0.6798 0.0682 0.0038 -0.0956 197 PHE D CB 5855 C CG . PHE D 198 ? 0.4453 0.5344 0.6410 0.0770 -0.0062 -0.0783 197 PHE D CG 5856 C CD1 . PHE D 198 ? 0.4424 0.4949 0.5992 0.0713 0.0092 -0.0727 197 PHE D CD1 5857 C CD2 . PHE D 198 ? 0.4522 0.5465 0.6483 0.0902 -0.0321 -0.0656 197 PHE D CD2 5858 C CE1 . PHE D 198 ? 0.4472 0.4708 0.5700 0.0766 -0.0001 -0.0577 197 PHE D CE1 5859 C CE2 . PHE D 198 ? 0.4638 0.5251 0.6242 0.0947 -0.0406 -0.0468 197 PHE D CE2 5860 C CZ . PHE D 198 ? 0.4603 0.4873 0.5860 0.0869 -0.0242 -0.0442 197 PHE D CZ 5861 N N . TRP D 199 ? 0.4468 0.5638 0.7079 0.0612 0.0678 -0.1086 198 TRP D N 5862 C CA . TRP D 199 ? 0.4545 0.5526 0.6922 0.0596 0.0942 -0.1070 198 TRP D CA 5863 C C . TRP D 199 ? 0.4643 0.5880 0.7335 0.0736 0.1091 -0.1193 198 TRP D C 5864 O O . TRP D 199 ? 0.4762 0.5822 0.7210 0.0834 0.1199 -0.1216 198 TRP D O 5865 C CB . TRP D 199 ? 0.4557 0.5495 0.6858 0.0371 0.1145 -0.1026 198 TRP D CB 5866 C CG . TRP D 199 ? 0.4728 0.5608 0.6847 0.0349 0.1434 -0.0993 198 TRP D CG 5867 C CD1 . TRP D 199 ? 0.4845 0.6033 0.7245 0.0260 0.1693 -0.1023 198 TRP D CD1 5868 C CD2 . TRP D 199 ? 0.4830 0.5381 0.6436 0.0411 0.1489 -0.0923 198 TRP D CD2 5869 N NE1 . TRP D 199 ? 0.5026 0.6103 0.7067 0.0271 0.1911 -0.0965 198 TRP D NE1 5870 C CE2 . TRP D 199 ? 0.5021 0.5705 0.6575 0.0369 0.1777 -0.0918 198 TRP D CE2 5871 C CE3 . TRP D 199 ? 0.4809 0.5007 0.6003 0.0485 0.1324 -0.0865 198 TRP D CE3 5872 C CZ2 . TRP D 199 ? 0.5209 0.5686 0.6284 0.0415 0.1880 -0.0874 198 TRP D CZ2 5873 C CZ3 . TRP D 199 ? 0.4968 0.4951 0.5747 0.0520 0.1425 -0.0830 198 TRP D CZ3 5874 C CH2 . TRP D 199 ? 0.5153 0.5274 0.5859 0.0493 0.1689 -0.0844 198 TRP D CH2 5875 N N . GLN D 200 ? 0.4617 0.6309 0.7869 0.0751 0.1090 -0.1302 199 GLN D N 5876 C CA . GLN D 200 ? 0.4714 0.6762 0.8356 0.0888 0.1256 -0.1455 199 GLN D CA 5877 C C . GLN D 200 ? 0.4824 0.6760 0.8513 0.1183 0.1098 -0.1532 199 GLN D C 5878 O O . GLN D 200 ? 0.4953 0.7123 0.8912 0.1342 0.1239 -0.1700 199 GLN D O 5879 C CB . GLN D 200 ? 0.4652 0.7275 0.8953 0.0819 0.1281 -0.1557 199 GLN D CB 5880 C CG . GLN D 200 ? 0.4629 0.7425 0.9023 0.0527 0.1553 -0.1518 199 GLN D CG 5881 C CD . GLN D 200 ? 0.4478 0.7705 0.9459 0.0375 0.1468 -0.1586 199 GLN D CD 5882 O OE1 . GLN D 200 ? 0.4371 0.7814 0.9664 0.0500 0.1191 -0.1666 199 GLN D OE1 5883 N NE2 . GLN D 200 ? 0.4493 0.7847 0.9634 0.0095 0.1694 -0.1542 199 GLN D NE2 5884 N N . ASN D 201 ? 0.4818 0.6399 0.8260 0.1252 0.0811 -0.1410 200 ASN D N 5885 C CA . ASN D 201 ? 0.4993 0.6352 0.8472 0.1504 0.0620 -0.1426 200 ASN D CA 5886 C C . ASN D 201 ? 0.5156 0.6127 0.8238 0.1554 0.0751 -0.1474 200 ASN D C 5887 O O . ASN D 201 ? 0.5129 0.5749 0.7708 0.1419 0.0752 -0.1346 200 ASN D O 5888 C CB . ASN D 201 ? 0.4975 0.6111 0.8299 0.1512 0.0282 -0.1223 200 ASN D CB 5889 C CG . ASN D 201 ? 0.5223 0.6159 0.8715 0.1767 0.0038 -0.1185 200 ASN D CG 5890 O OD1 . ASN D 201 ? 0.5397 0.6289 0.9112 0.1956 0.0111 -0.1347 200 ASN D OD1 5891 N ND2 . ASN D 201 ? 0.5291 0.6106 0.8678 0.1775 -0.0255 -0.0967 200 ASN D ND2 5892 N N . PRO D 202 ? 0.5366 0.6433 0.8696 0.1759 0.0853 -0.1689 201 PRO D N 5893 C CA . PRO D 202 ? 0.5590 0.6335 0.8575 0.1825 0.0961 -0.1804 201 PRO D CA 5894 C C . PRO D 202 ? 0.5725 0.5896 0.8438 0.1877 0.0695 -0.1684 201 PRO D C 5895 O O . PRO D 202 ? 0.5897 0.5762 0.8283 0.1885 0.0750 -0.1767 201 PRO D O 5896 C CB . PRO D 202 ? 0.5812 0.6861 0.9259 0.2079 0.1074 -0.2108 201 PRO D CB 5897 C CG . PRO D 202 ? 0.5659 0.7298 0.9629 0.2065 0.1148 -0.2137 201 PRO D CG 5898 C CD . PRO D 202 ? 0.5435 0.6984 0.9414 0.1946 0.0880 -0.1879 201 PRO D CD 5899 N N . ARG D 203 ? 0.5683 0.5744 0.8530 0.1897 0.0410 -0.1485 202 ARG D N 5900 C CA . ARG D 203 ? 0.5863 0.5418 0.8523 0.1932 0.0151 -0.1320 202 ARG D CA 5901 C C . ARG D 203 ? 0.5687 0.5028 0.7837 0.1690 0.0100 -0.1072 202 ARG D C 5902 O O . ARG D 203 ? 0.5830 0.4771 0.7759 0.1663 -0.0050 -0.0936 202 ARG D O 5903 C CB . ARG D 203 ? 0.6016 0.5576 0.9102 0.2114 -0.0144 -0.1205 202 ARG D CB 5904 C CG . ARG D 203 ? 0.6341 0.5942 0.9952 0.2416 -0.0168 -0.1448 202 ARG D CG 5905 C CD . ARG D 203 ? 0.6566 0.6281 1.0644 0.2602 -0.0465 -0.1305 202 ARG D CD 5906 N NE . ARG D 203 ? 0.6838 0.6070 1.0736 0.2587 -0.0769 -0.0980 202 ARG D NE 5907 C CZ . ARG D 203 ? 0.7256 0.6052 1.1397 0.2789 -0.0980 -0.0944 202 ARG D CZ 5908 N NH1 . ARG D 203 ? 0.7490 0.6271 1.2082 0.3057 -0.0930 -0.1264 202 ARG D NH1 5909 N NH2 . ARG D 203 ? 0.7475 0.5856 1.1428 0.2722 -0.1238 -0.0586 202 ARG D NH2 5910 N N . ASN D 204 ? 0.5411 0.5025 0.7416 0.1514 0.0227 -0.1022 203 ASN D N 5911 C CA . ASN D 204 ? 0.5264 0.4728 0.6822 0.1309 0.0201 -0.0837 203 ASN D CA 5912 C C . ASN D 204 ? 0.5274 0.4543 0.6430 0.1208 0.0390 -0.0894 203 ASN D C 5913 O O . ASN D 204 ? 0.5254 0.4701 0.6384 0.1171 0.0624 -0.1018 203 ASN D O 5914 C CB . ASN D 204 ? 0.5027 0.4826 0.6641 0.1180 0.0217 -0.0784 203 ASN D CB 5915 C CG . ASN D 204 ? 0.5057 0.5039 0.6922 0.1246 -0.0040 -0.0676 203 ASN D CG 5916 O OD1 . ASN D 204 ? 0.5214 0.4992 0.7055 0.1335 -0.0253 -0.0528 203 ASN D OD1 5917 N ND2 . ASN D 204 ? 0.4909 0.5283 0.7019 0.1192 -0.0032 -0.0736 203 ASN D ND2 5918 N N . HIS D 205 ? 0.5345 0.4277 0.6198 0.1157 0.0282 -0.0784 204 HIS D N 5919 C CA . HIS D 205 ? 0.5377 0.4135 0.5850 0.1071 0.0408 -0.0831 204 HIS D CA 5920 C C . HIS D 205 ? 0.5174 0.3956 0.5328 0.0896 0.0425 -0.0674 204 HIS D C 5921 O O . HIS D 205 ? 0.5133 0.3849 0.5203 0.0832 0.0266 -0.0508 204 HIS D O 5922 C CB . HIS D 205 ? 0.5632 0.4027 0.6039 0.1120 0.0274 -0.0852 204 HIS D CB 5923 C CG . HIS D 205 ? 0.5765 0.4031 0.5836 0.1066 0.0384 -0.0966 204 HIS D CG 5924 N ND1 . HIS D 205 ? 0.5901 0.3906 0.5746 0.0970 0.0267 -0.0885 204 HIS D ND1 5925 C CD2 . HIS D 205 ? 0.5924 0.4327 0.5842 0.1090 0.0592 -0.1147 204 HIS D CD2 5926 C CE1 . HIS D 205 ? 0.6025 0.4012 0.5604 0.0949 0.0376 -0.1032 204 HIS D CE1 5927 N NE2 . HIS D 205 ? 0.6056 0.4279 0.5642 0.1025 0.0574 -0.1181 204 HIS D NE2 5928 N N . PHE D 206 ? 0.5091 0.3982 0.5081 0.0826 0.0621 -0.0722 205 PHE D N 5929 C CA . PHE D 206 ? 0.4919 0.3823 0.4669 0.0691 0.0646 -0.0605 205 PHE D CA 5930 C C . PHE D 206 ? 0.5014 0.3739 0.4395 0.0650 0.0688 -0.0590 205 PHE D C 5931 O O . PHE D 206 ? 0.5163 0.3874 0.4426 0.0687 0.0816 -0.0690 205 PHE D O 5932 C CB . PHE D 206 ? 0.4823 0.3939 0.4697 0.0631 0.0813 -0.0630 205 PHE D CB 5933 C CG . PHE D 206 ? 0.4701 0.4063 0.4979 0.0655 0.0767 -0.0670 205 PHE D CG 5934 C CD1 . PHE D 206 ? 0.4698 0.4231 0.5292 0.0760 0.0833 -0.0792 205 PHE D CD1 5935 C CD2 . PHE D 206 ? 0.4544 0.4013 0.4901 0.0583 0.0652 -0.0615 205 PHE D CD2 5936 C CE1 . PHE D 206 ? 0.4630 0.4443 0.5641 0.0791 0.0771 -0.0835 205 PHE D CE1 5937 C CE2 . PHE D 206 ? 0.4471 0.4213 0.5204 0.0602 0.0582 -0.0669 205 PHE D CE2 5938 C CZ . PHE D 206 ? 0.4575 0.4491 0.5649 0.0705 0.0635 -0.0768 205 PHE D CZ 5939 N N . ARG D 207 ? 0.4948 0.3591 0.4146 0.0576 0.0580 -0.0475 206 ARG D N 5940 C CA . ARG D 207 ? 0.5047 0.3573 0.3935 0.0538 0.0592 -0.0457 206 ARG D CA 5941 C C . ARG D 207 ? 0.4931 0.3511 0.3679 0.0463 0.0579 -0.0353 206 ARG D C 5942 O O . ARG D 207 ? 0.4809 0.3480 0.3647 0.0428 0.0494 -0.0292 206 ARG D O 5943 C CB . ARG D 207 ? 0.5171 0.3528 0.4024 0.0541 0.0450 -0.0467 206 ARG D CB 5944 C CG . ARG D 207 ? 0.5337 0.3612 0.3916 0.0516 0.0458 -0.0516 206 ARG D CG 5945 C CD . ARG D 207 ? 0.5515 0.3621 0.4124 0.0476 0.0298 -0.0526 206 ARG D CD 5946 N NE . ARG D 207 ? 0.5826 0.3770 0.4592 0.0562 0.0273 -0.0691 206 ARG D NE 5947 C CZ . ARG D 207 ? 0.6099 0.3990 0.4740 0.0616 0.0317 -0.0898 206 ARG D CZ 5948 N NH1 . ARG D 207 ? 0.6289 0.4038 0.5118 0.0715 0.0289 -0.1090 206 ARG D NH1 5949 N NH2 . ARG D 207 ? 0.6185 0.4181 0.4513 0.0585 0.0378 -0.0924 206 ARG D NH2 5950 N N . CYS D 208 ? 0.5008 0.3552 0.3532 0.0456 0.0657 -0.0342 207 CYS D N 5951 C CA . CYS D 208 ? 0.4962 0.3533 0.3379 0.0422 0.0638 -0.0264 207 CYS D CA 5952 C C . CYS D 208 ? 0.4961 0.3503 0.3174 0.0415 0.0551 -0.0243 207 CYS D C 5953 O O . CYS D 208 ? 0.5125 0.3612 0.3156 0.0442 0.0581 -0.0274 207 CYS D O 5954 C CB . CYS D 208 ? 0.5065 0.3607 0.3433 0.0426 0.0775 -0.0229 207 CYS D CB 5955 S SG . CYS D 208 ? 0.5430 0.3947 0.3711 0.0429 0.0728 -0.0154 207 CYS D SG 5956 N N . GLN D 209 ? 0.4808 0.3439 0.3052 0.0373 0.0446 -0.0199 208 GLN D N 5957 C CA . GLN D 209 ? 0.4807 0.3473 0.2939 0.0339 0.0354 -0.0180 208 GLN D CA 5958 C C . GLN D 209 ? 0.4727 0.3526 0.2789 0.0359 0.0343 -0.0146 208 GLN D C 5959 O O . GLN D 209 ? 0.4612 0.3542 0.2768 0.0361 0.0344 -0.0135 208 GLN D O 5960 C CB . GLN D 209 ? 0.4772 0.3484 0.3025 0.0256 0.0246 -0.0129 208 GLN D CB 5961 C CG . GLN D 209 ? 0.4848 0.3605 0.3054 0.0180 0.0153 -0.0110 208 GLN D CG 5962 C CD . GLN D 209 ? 0.4891 0.3709 0.3231 0.0061 0.0060 0.0001 208 GLN D CD 5963 O OE1 . GLN D 209 ? 0.5050 0.3682 0.3477 0.0004 -0.0015 0.0009 208 GLN D OE1 5964 N NE2 . GLN D 209 ? 0.4708 0.3789 0.3069 0.0023 0.0066 0.0090 208 GLN D NE2 5965 N N . VAL D 210 ? 0.4801 0.3592 0.2707 0.0390 0.0320 -0.0151 209 VAL D N 5966 C CA . VAL D 210 ? 0.4765 0.3704 0.2643 0.0434 0.0277 -0.0121 209 VAL D CA 5967 C C . VAL D 210 ? 0.4749 0.3864 0.2640 0.0368 0.0163 -0.0133 209 VAL D C 5968 O O . VAL D 210 ? 0.4882 0.3942 0.2672 0.0340 0.0107 -0.0174 209 VAL D O 5969 C CB . VAL D 210 ? 0.4954 0.3791 0.2666 0.0536 0.0315 -0.0078 209 VAL D CB 5970 C CG1 . VAL D 210 ? 0.4972 0.3966 0.2699 0.0614 0.0234 -0.0048 209 VAL D CG1 5971 C CG2 . VAL D 210 ? 0.4988 0.3662 0.2752 0.0566 0.0436 -0.0041 209 VAL D CG2 5972 N N . GLN D 211 ? 0.4622 0.3983 0.2652 0.0331 0.0132 -0.0113 210 GLN D N 5973 C CA . GLN D 211 ? 0.4614 0.4222 0.2714 0.0251 0.0039 -0.0109 210 GLN D CA 5974 C C . GLN D 211 ? 0.4647 0.4430 0.2731 0.0369 0.0000 -0.0131 210 GLN D C 5975 O O . GLN D 211 ? 0.4566 0.4448 0.2719 0.0477 0.0041 -0.0141 210 GLN D O 5976 C CB . GLN D 211 ? 0.4498 0.4363 0.2758 0.0141 0.0046 -0.0056 210 GLN D CB 5977 C CG . GLN D 211 ? 0.4528 0.4728 0.2916 0.0032 -0.0021 -0.0033 210 GLN D CG 5978 C CD . GLN D 211 ? 0.4717 0.4787 0.3159 -0.0144 -0.0104 0.0007 210 GLN D CD 5979 O OE1 . GLN D 211 ? 0.4861 0.4940 0.3314 -0.0176 -0.0195 -0.0056 210 GLN D OE1 5980 N NE2 . GLN D 211 ? 0.4730 0.4670 0.3223 -0.0255 -0.0093 0.0108 210 GLN D NE2 5981 N N . PHE D 212 ? 0.4793 0.4614 0.2801 0.0362 -0.0096 -0.0155 211 PHE D N 5982 C CA . PHE D 212 ? 0.4887 0.4891 0.2879 0.0491 -0.0171 -0.0158 211 PHE D CA 5983 C C . PHE D 212 ? 0.4842 0.5257 0.3042 0.0408 -0.0271 -0.0193 211 PHE D C 5984 O O . PHE D 212 ? 0.4854 0.5314 0.3114 0.0235 -0.0328 -0.0219 211 PHE D O 5985 C CB . PHE D 212 ? 0.5125 0.4943 0.2846 0.0565 -0.0222 -0.0154 211 PHE D CB 5986 C CG . PHE D 212 ? 0.5334 0.5366 0.3019 0.0696 -0.0348 -0.0132 211 PHE D CG 5987 C CD1 . PHE D 212 ? 0.5426 0.5417 0.3117 0.0883 -0.0334 -0.0041 211 PHE D CD1 5988 C CD2 . PHE D 212 ? 0.5457 0.5726 0.3137 0.0637 -0.0502 -0.0206 211 PHE D CD2 5989 C CE1 . PHE D 212 ? 0.5610 0.5793 0.3292 0.1032 -0.0475 0.0003 211 PHE D CE1 5990 C CE2 . PHE D 212 ? 0.5644 0.6160 0.3306 0.0773 -0.0646 -0.0183 211 PHE D CE2 5991 C CZ . PHE D 212 ? 0.5741 0.6214 0.3399 0.0984 -0.0635 -0.0063 211 PHE D CZ 5992 N N . TYR D 213 ? 0.4822 0.5538 0.3174 0.0532 -0.0292 -0.0202 212 TYR D N 5993 C CA . TYR D 213 ? 0.4819 0.6020 0.3419 0.0472 -0.0376 -0.0242 212 TYR D CA 5994 C C . TYR D 213 ? 0.4983 0.6341 0.3568 0.0623 -0.0528 -0.0264 212 TYR D C 5995 O O . TYR D 213 ? 0.5067 0.6382 0.3631 0.0849 -0.0541 -0.0238 212 TYR D O 5996 C CB . TYR D 213 ? 0.4676 0.6234 0.3518 0.0500 -0.0279 -0.0267 212 TYR D CB 5997 C CG . TYR D 213 ? 0.4630 0.6137 0.3468 0.0327 -0.0159 -0.0223 212 TYR D CG 5998 C CD1 . TYR D 213 ? 0.4663 0.5897 0.3383 0.0401 -0.0057 -0.0223 212 TYR D CD1 5999 C CD2 . TYR D 213 ? 0.4665 0.6393 0.3630 0.0081 -0.0164 -0.0162 212 TYR D CD2 6000 C CE1 . TYR D 213 ? 0.4675 0.5898 0.3375 0.0258 0.0024 -0.0170 212 TYR D CE1 6001 C CE2 . TYR D 213 ? 0.4720 0.6393 0.3660 -0.0067 -0.0074 -0.0070 212 TYR D CE2 6002 C CZ . TYR D 213 ? 0.4718 0.6157 0.3510 0.0033 0.0012 -0.0077 212 TYR D CZ 6003 O OH . TYR D 213 ? 0.4805 0.6227 0.3559 -0.0099 0.0074 0.0025 212 TYR D OH 6004 N N . GLY D 214 ? 0.5084 0.6603 0.3690 0.0498 -0.0662 -0.0311 213 GLY D N 6005 C CA . GLY D 214 ? 0.5291 0.7023 0.3869 0.0624 -0.0845 -0.0340 213 GLY D CA 6006 C C . GLY D 214 ? 0.5310 0.7518 0.4177 0.0456 -0.0980 -0.0432 213 GLY D C 6007 O O . GLY D 214 ? 0.5139 0.7679 0.4333 0.0315 -0.0913 -0.0441 213 GLY D O 6008 N N . LEU D 215 ? 0.5569 0.7846 0.4315 0.0457 -0.1170 -0.0501 214 LEU D N 6009 C CA . LEU D 215 ? 0.5650 0.8382 0.4692 0.0283 -0.1334 -0.0617 214 LEU D CA 6010 C C . LEU D 215 ? 0.5607 0.8256 0.4833 -0.0052 -0.1275 -0.0660 214 LEU D C 6011 O O . LEU D 215 ? 0.5584 0.7774 0.4639 -0.0127 -0.1141 -0.0614 214 LEU D O 6012 C CB . LEU D 215 ? 0.5987 0.8754 0.4785 0.0353 -0.1565 -0.0712 214 LEU D CB 6013 C CG . LEU D 215 ? 0.6161 0.9282 0.4954 0.0629 -0.1738 -0.0672 214 LEU D CG 6014 C CD1 . LEU D 215 ? 0.6277 0.9034 0.4741 0.0917 -0.1651 -0.0493 214 LEU D CD1 6015 C CD2 . LEU D 215 ? 0.6509 0.9829 0.5145 0.0605 -0.2002 -0.0806 214 LEU D CD2 6016 N N . SER D 216 ? 0.5647 0.8750 0.5261 -0.0256 -0.1385 -0.0735 215 SER D N 6017 C CA . SER D 216 ? 0.5707 0.8724 0.5552 -0.0604 -0.1365 -0.0750 215 SER D CA 6018 C C . SER D 216 ? 0.6028 0.9096 0.5945 -0.0760 -0.1605 -0.0948 215 SER D C 6019 O O . SER D 216 ? 0.6200 0.9415 0.5939 -0.0586 -0.1780 -0.1067 215 SER D O 6020 C CB . SER D 216 ? 0.5519 0.9050 0.5824 -0.0779 -0.1257 -0.0645 215 SER D CB 6021 O OG . SER D 216 ? 0.5571 0.9747 0.6255 -0.0834 -0.1410 -0.0741 215 SER D OG 6022 N N . GLU D 217 ? 0.6179 0.9122 0.6360 -0.1090 -0.1627 -0.0981 216 GLU D N 6023 C CA . GLU D 217 ? 0.6527 0.9518 0.6873 -0.1288 -0.1866 -0.1211 216 GLU D CA 6024 C C . GLU D 217 ? 0.6552 1.0300 0.7320 -0.1363 -0.2026 -0.1283 216 GLU D C 6025 O O . GLU D 217 ? 0.6820 1.0741 0.7674 -0.1441 -0.2274 -0.1514 216 GLU D O 6026 C CB . GLU D 217 ? 0.6706 0.9297 0.7296 -0.1630 -0.1846 -0.1204 216 GLU D CB 6027 N N . ASN D 218 ? 0.6293 1.0530 0.7337 -0.1332 -0.1888 -0.1110 217 ASN D N 6028 C CA . ASN D 218 ? 0.6273 1.1322 0.7767 -0.1354 -0.2010 -0.1170 217 ASN D CA 6029 C C . ASN D 218 ? 0.6325 1.1625 0.7588 -0.0990 -0.2195 -0.1280 217 ASN D C 6030 O O . ASN D 218 ? 0.6490 1.2302 0.8014 -0.1021 -0.2436 -0.1437 217 ASN D O 6031 C CB . ASN D 218 ? 0.5994 1.1530 0.7830 -0.1384 -0.1778 -0.0976 217 ASN D CB 6032 C CG . ASN D 218 ? 0.6053 1.1453 0.8132 -0.1768 -0.1603 -0.0808 217 ASN D CG 6033 O OD1 . ASN D 218 ? 0.5884 1.1236 0.7881 -0.1739 -0.1359 -0.0614 217 ASN D OD1 6034 N ND2 . ASN D 218 ? 0.6366 1.1704 0.8747 -0.2131 -0.1740 -0.0877 217 ASN D ND2 6035 N N . ASP D 219 ? 0.6231 1.1169 0.7021 -0.0655 -0.2094 -0.1180 218 ASP D N 6036 C CA . ASP D 219 ? 0.6324 1.1423 0.6861 -0.0283 -0.2244 -0.1195 218 ASP D CA 6037 C C . ASP D 219 ? 0.6694 1.1676 0.6902 -0.0256 -0.2512 -0.1372 218 ASP D C 6038 O O . ASP D 219 ? 0.6867 1.1385 0.6839 -0.0426 -0.2515 -0.1480 218 ASP D O 6039 C CB . ASP D 219 ? 0.6198 1.0845 0.6330 0.0015 -0.2051 -0.1019 218 ASP D CB 6040 C CG . ASP D 219 ? 0.5895 1.0732 0.6320 0.0050 -0.1812 -0.0893 218 ASP D CG 6041 O OD1 . ASP D 219 ? 0.5819 1.1318 0.6740 0.0004 -0.1828 -0.0926 218 ASP D OD1 6042 O OD2 . ASP D 219 ? 0.5764 1.0132 0.5928 0.0127 -0.1607 -0.0781 218 ASP D OD2 6043 N N . GLU D 220 ? 0.6855 1.2285 0.7052 -0.0025 -0.2745 -0.1411 219 GLU D N 6044 C CA . GLU D 220 ? 0.7272 1.2691 0.7083 0.0050 -0.3019 -0.1567 219 GLU D CA 6045 C C . GLU D 220 ? 0.7439 1.2387 0.6566 0.0371 -0.2965 -0.1410 219 GLU D C 6046 O O . GLU D 220 ? 0.7240 1.1982 0.6293 0.0579 -0.2776 -0.1181 219 GLU D O 6047 C CB . GLU D 220 ? 0.7421 1.3624 0.7568 0.0130 -0.3333 -0.1672 219 GLU D CB 6048 N N . TRP D 221 ? 0.7841 1.2642 0.6483 0.0395 -0.3127 -0.1544 220 TRP D N 6049 C CA . TRP D 221 ? 0.8082 1.2479 0.6038 0.0653 -0.3070 -0.1390 220 TRP D CA 6050 C C . TRP D 221 ? 0.8622 1.3256 0.6145 0.0722 -0.3362 -0.1556 220 TRP D C 6051 O O . TRP D 221 ? 0.8827 1.3565 0.6402 0.0493 -0.3504 -0.1878 220 TRP D O 6052 C CB . TRP D 221 ? 0.7963 1.1681 0.5656 0.0539 -0.2776 -0.1376 220 TRP D CB 6053 C CG . TRP D 221 ? 0.8138 1.1452 0.5231 0.0779 -0.2638 -0.1162 220 TRP D CG 6054 C CD1 . TRP D 221 ? 0.8513 1.1578 0.5034 0.0803 -0.2626 -0.1245 220 TRP D CD1 6055 C CD2 . TRP D 221 ? 0.7986 1.1116 0.5024 0.1012 -0.2484 -0.0839 220 TRP D CD2 6056 N NE1 . TRP D 221 ? 0.8597 1.1361 0.4713 0.1016 -0.2461 -0.0956 220 TRP D NE1 6057 C CE2 . TRP D 221 ? 0.8295 1.1055 0.4732 0.1141 -0.2383 -0.0704 220 TRP D CE2 6058 C CE3 . TRP D 221 ? 0.7624 1.0881 0.5084 0.1123 -0.2420 -0.0672 220 TRP D CE3 6059 C CZ2 . TRP D 221 ? 0.8278 1.0746 0.4553 0.1350 -0.2232 -0.0383 220 TRP D CZ2 6060 C CZ3 . TRP D 221 ? 0.7610 1.0557 0.4901 0.1357 -0.2283 -0.0398 220 TRP D CZ3 6061 C CH2 . TRP D 221 ? 0.7943 1.0478 0.4662 0.1455 -0.2196 -0.0243 220 TRP D CH2 6062 N N . THR D 222 ? 0.8915 1.3633 0.6014 0.1036 -0.3463 -0.1335 221 THR D N 6063 C CA . THR D 222 ? 0.9495 1.4531 0.6117 0.1139 -0.3762 -0.1447 221 THR D CA 6064 C C . THR D 222 ? 0.9885 1.4543 0.5706 0.1319 -0.3651 -0.1261 221 THR D C 6065 O O . THR D 222 ? 1.0397 1.5218 0.5702 0.1335 -0.3815 -0.1422 221 THR D O 6066 C CB . THR D 222 ? 0.9664 1.5353 0.6503 0.1360 -0.4090 -0.1341 221 THR D CB 6067 O OG1 . THR D 222 ? 0.9554 1.5083 0.6397 0.1657 -0.3984 -0.0940 221 THR D OG1 6068 C CG2 . THR D 222 ? 0.9345 1.5560 0.6984 0.1155 -0.4229 -0.1575 221 THR D CG2 6069 N N . GLN D 223 ? 0.9670 1.3862 0.5402 0.1443 -0.3369 -0.0934 222 GLN D N 6070 C CA . GLN D 223 ? 1.0031 1.3882 0.5078 0.1610 -0.3232 -0.0673 222 GLN D CA 6071 C C . GLN D 223 ? 1.0219 1.3809 0.4811 0.1450 -0.3079 -0.0913 222 GLN D C 6072 O O . GLN D 223 ? 0.9961 1.3420 0.4842 0.1209 -0.3000 -0.1235 222 GLN D O 6073 C CB . GLN D 223 ? 0.9739 1.3140 0.4926 0.1737 -0.2966 -0.0307 222 GLN D CB 6074 C CG . GLN D 223 ? 0.9794 1.3418 0.5267 0.1997 -0.3133 -0.0027 222 GLN D CG 6075 C CD . GLN D 223 ? 0.9446 1.2659 0.5268 0.2074 -0.2885 0.0196 222 GLN D CD 6076 O OE1 . GLN D 223 ? 0.9066 1.2455 0.5495 0.2072 -0.2890 0.0121 222 GLN D OE1 6077 N NE2 . GLN D 223 ? 0.9593 1.2295 0.5047 0.2134 -0.2663 0.0455 222 GLN D NE2 6078 N N . ASP D 224 ? 1.0714 1.4238 0.4611 0.1592 -0.3035 -0.0740 223 ASP D N 6079 C CA . ASP D 224 ? 1.1032 1.4457 0.4421 0.1492 -0.2921 -0.0997 223 ASP D CA 6080 C C . ASP D 224 ? 1.0621 1.3506 0.4167 0.1341 -0.2558 -0.1077 223 ASP D C 6081 O O . ASP D 224 ? 1.0669 1.3482 0.4202 0.1182 -0.2514 -0.1467 223 ASP D O 6082 C CB . ASP D 224 ? 1.1705 1.5279 0.4288 0.1687 -0.2941 -0.0740 223 ASP D CB 6083 N N . ARG D 225 ? 1.0259 1.2769 0.3977 0.1399 -0.2319 -0.0728 224 ARG D N 6084 C CA . ARG D 225 ? 0.9877 1.1911 0.3769 0.1271 -0.1992 -0.0776 224 ARG D CA 6085 C C . ARG D 225 ? 0.9336 1.1257 0.3886 0.1070 -0.1989 -0.1025 224 ARG D C 6086 O O . ARG D 225 ? 0.9200 1.1404 0.4138 0.1027 -0.2202 -0.1099 224 ARG D O 6087 C CB . ARG D 225 ? 0.9742 1.1428 0.3592 0.1384 -0.1747 -0.0344 224 ARG D CB 6088 C CG . ARG D 225 ? 0.9641 1.1372 0.3767 0.1537 -0.1861 -0.0017 224 ARG D CG 6089 C CD . ARG D 225 ? 0.9068 1.0592 0.3845 0.1453 -0.1753 -0.0042 224 ARG D CD 6090 N NE . ARG D 225 ? 0.9010 1.0490 0.4028 0.1632 -0.1788 0.0267 224 ARG D NE 6091 C CZ . ARG D 225 ? 0.8542 0.9890 0.4082 0.1614 -0.1695 0.0280 224 ARG D CZ 6092 N NH1 . ARG D 225 ? 0.8155 0.9411 0.4001 0.1411 -0.1562 0.0053 224 ARG D NH1 6093 N NH2 . ARG D 225 ? 0.8529 0.9843 0.4282 0.1807 -0.1741 0.0519 224 ARG D NH2 6094 N N . ALA D 226 ? 0.9065 1.0604 0.3744 0.0947 -0.1750 -0.1134 225 ALA D N 6095 C CA . ALA D 226 ? 0.8648 1.0040 0.3882 0.0739 -0.1738 -0.1350 225 ALA D CA 6096 C C . ALA D 226 ? 0.8168 0.9589 0.3924 0.0715 -0.1734 -0.1144 225 ALA D C 6097 O O . ALA D 226 ? 0.8006 0.9315 0.3756 0.0849 -0.1608 -0.0842 225 ALA D O 6098 C CB . ALA D 226 ? 0.8528 0.9498 0.3761 0.0660 -0.1489 -0.1455 225 ALA D CB 6099 N N . LYS D 227 ? 0.7976 0.9562 0.4195 0.0534 -0.1868 -0.1326 226 LYS D N 6100 C CA . LYS D 227 ? 0.7538 0.9265 0.4280 0.0481 -0.1860 -0.1184 226 LYS D CA 6101 C C . LYS D 227 ? 0.7127 0.8482 0.4012 0.0477 -0.1582 -0.0992 226 LYS D C 6102 O O . LYS D 227 ? 0.7037 0.8071 0.3991 0.0337 -0.1453 -0.1082 226 LYS D O 6103 C CB . LYS D 227 ? 0.7489 0.9428 0.4695 0.0224 -0.2011 -0.1419 226 LYS D CB 6104 C CG . LYS D 227 ? 0.7146 0.9441 0.4881 0.0166 -0.2043 -0.1302 226 LYS D CG 6105 C CD . LYS D 227 ? 0.7147 0.9660 0.5345 -0.0131 -0.2182 -0.1514 226 LYS D CD 6106 C CE . LYS D 227 ? 0.6858 0.9795 0.5599 -0.0210 -0.2169 -0.1389 226 LYS D CE 6107 N NZ . LYS D 227 ? 0.6927 1.0111 0.6161 -0.0540 -0.2296 -0.1559 226 LYS D NZ 6108 N N . PRO D 228 ? 0.6924 0.8326 0.3873 0.0643 -0.1510 -0.0742 227 PRO D N 6109 C CA . PRO D 228 ? 0.6594 0.7678 0.3635 0.0672 -0.1268 -0.0573 227 PRO D CA 6110 C C . PRO D 228 ? 0.6190 0.7357 0.3712 0.0507 -0.1199 -0.0595 227 PRO D C 6111 O O . PRO D 228 ? 0.5962 0.7273 0.3719 0.0588 -0.1143 -0.0478 227 PRO D O 6112 C CB . PRO D 228 ? 0.6659 0.7806 0.3615 0.0921 -0.1279 -0.0346 227 PRO D CB 6113 C CG . PRO D 228 ? 0.6808 0.8435 0.3902 0.0987 -0.1531 -0.0391 227 PRO D CG 6114 C CD . PRO D 228 ? 0.7048 0.8832 0.4025 0.0827 -0.1688 -0.0632 227 PRO D CD 6115 N N . VAL D 229 ? 0.6147 0.7223 0.3807 0.0281 -0.1203 -0.0745 228 VAL D N 6116 C CA . VAL D 229 ? 0.5871 0.7042 0.3957 0.0083 -0.1148 -0.0730 228 VAL D CA 6117 C C . VAL D 229 ? 0.5604 0.6495 0.3713 0.0096 -0.0926 -0.0587 228 VAL D C 6118 O O . VAL D 229 ? 0.5626 0.6181 0.3458 0.0211 -0.0814 -0.0542 228 VAL D O 6119 C CB . VAL D 229 ? 0.6030 0.7121 0.4285 -0.0178 -0.1245 -0.0905 228 VAL D CB 6120 C CG1 . VAL D 229 ? 0.6268 0.7731 0.4607 -0.0233 -0.1490 -0.1078 228 VAL D CG1 6121 C CG2 . VAL D 229 ? 0.6192 0.6790 0.4172 -0.0179 -0.1180 -0.1006 228 VAL D CG2 6122 N N . THR D 230 ? 0.5367 0.6453 0.3810 -0.0030 -0.0863 -0.0518 229 THR D N 6123 C CA . THR D 230 ? 0.5166 0.6045 0.3641 -0.0056 -0.0682 -0.0405 229 THR D CA 6124 C C . THR D 230 ? 0.5270 0.5684 0.3604 -0.0143 -0.0647 -0.0443 229 THR D C 6125 O O . THR D 230 ? 0.5455 0.5789 0.3910 -0.0323 -0.0739 -0.0525 229 THR D O 6126 C CB . THR D 230 ? 0.4999 0.6229 0.3827 -0.0229 -0.0638 -0.0329 229 THR D CB 6127 O OG1 . THR D 230 ? 0.4955 0.6666 0.3946 -0.0111 -0.0655 -0.0332 229 THR D OG1 6128 C CG2 . THR D 230 ? 0.4863 0.5918 0.3679 -0.0262 -0.0474 -0.0211 229 THR D CG2 6129 N N . GLN D 231 ? 0.5206 0.5317 0.3324 -0.0012 -0.0523 -0.0400 230 GLN D N 6130 C CA . GLN D 231 ? 0.5311 0.5023 0.3304 -0.0041 -0.0483 -0.0461 230 GLN D CA 6131 C C . GLN D 231 ? 0.5171 0.4668 0.3086 0.0052 -0.0320 -0.0369 230 GLN D C 6132 O O . GLN D 231 ? 0.5036 0.4646 0.2941 0.0155 -0.0246 -0.0281 230 GLN D O 6133 C CB . GLN D 231 ? 0.5579 0.5197 0.3295 0.0042 -0.0555 -0.0616 230 GLN D CB 6134 C CG . GLN D 231 ? 0.5600 0.5225 0.3014 0.0249 -0.0486 -0.0549 230 GLN D CG 6135 C CD . GLN D 231 ? 0.5892 0.5596 0.3008 0.0321 -0.0593 -0.0664 230 GLN D CD 6136 O OE1 . GLN D 231 ? 0.6066 0.5598 0.2911 0.0379 -0.0529 -0.0739 230 GLN D OE1 6137 N NE2 . GLN D 231 ? 0.6013 0.6035 0.3177 0.0322 -0.0760 -0.0689 230 GLN D NE2 6138 N N . ILE D 232 ? 0.5239 0.4433 0.3139 0.0020 -0.0280 -0.0413 231 ILE D N 6139 C CA . ILE D 232 ? 0.5124 0.4133 0.2973 0.0106 -0.0142 -0.0357 231 ILE D CA 6140 C C . ILE D 232 ? 0.5314 0.4156 0.2919 0.0221 -0.0081 -0.0459 231 ILE D C 6141 O O . ILE D 232 ? 0.5546 0.4300 0.3074 0.0204 -0.0142 -0.0613 231 ILE D O 6142 C CB . ILE D 232 ? 0.5082 0.3929 0.3134 0.0006 -0.0137 -0.0309 231 ILE D CB 6143 C CG1 . ILE D 232 ? 0.4885 0.3964 0.3116 -0.0102 -0.0153 -0.0157 231 ILE D CG1 6144 C CG2 . ILE D 232 ? 0.4997 0.3666 0.3017 0.0104 -0.0021 -0.0302 231 ILE D CG2 6145 C CD1 . ILE D 232 ? 0.4963 0.3911 0.3385 -0.0241 -0.0199 -0.0056 231 ILE D CD1 6146 N N . VAL D 233 ? 0.5255 0.4076 0.2746 0.0330 0.0042 -0.0382 232 VAL D N 6147 C CA . VAL D 233 ? 0.5458 0.4168 0.2732 0.0418 0.0145 -0.0431 232 VAL D CA 6148 C C . VAL D 233 ? 0.5322 0.3917 0.2718 0.0439 0.0288 -0.0376 232 VAL D C 6149 O O . VAL D 233 ? 0.5147 0.3776 0.2653 0.0446 0.0326 -0.0266 232 VAL D O 6150 C CB . VAL D 233 ? 0.5638 0.4451 0.2640 0.0514 0.0155 -0.0351 232 VAL D CB 6151 C CG1 . VAL D 233 ? 0.5882 0.4639 0.2614 0.0578 0.0274 -0.0386 232 VAL D CG1 6152 C CG2 . VAL D 233 ? 0.5766 0.4765 0.2692 0.0503 -0.0019 -0.0400 232 VAL D CG2 6153 N N . SER D 234 ? 0.5438 0.3927 0.2847 0.0456 0.0358 -0.0484 233 SER D N 6154 C CA . SER D 234 ? 0.5306 0.3737 0.2897 0.0471 0.0473 -0.0456 233 SER D CA 6155 C C . SER D 234 ? 0.5493 0.3927 0.2988 0.0536 0.0628 -0.0535 233 SER D C 6156 O O . SER D 234 ? 0.5755 0.4223 0.3031 0.0575 0.0642 -0.0656 233 SER D O 6157 C CB . SER D 234 ? 0.5207 0.3555 0.3071 0.0421 0.0386 -0.0486 233 SER D CB 6158 O OG . SER D 234 ? 0.5425 0.3652 0.3335 0.0448 0.0358 -0.0652 233 SER D OG 6159 N N . ALA D 235 ? 0.5385 0.3835 0.3054 0.0541 0.0748 -0.0480 234 ALA D N 6160 C CA . ALA D 235 ? 0.5536 0.4057 0.3217 0.0585 0.0921 -0.0549 234 ALA D CA 6161 C C . ALA D 235 ? 0.5394 0.3919 0.3446 0.0593 0.0931 -0.0603 234 ALA D C 6162 O O . ALA D 235 ? 0.5174 0.3674 0.3418 0.0551 0.0849 -0.0516 234 ALA D O 6163 C CB . ALA D 235 ? 0.5597 0.4184 0.3149 0.0565 0.1072 -0.0388 234 ALA D CB 6164 N N . GLU D 236 ? 0.5579 0.4175 0.3730 0.0662 0.1024 -0.0759 235 GLU D N 6165 C CA . GLU D 236 ? 0.5499 0.4122 0.4038 0.0704 0.1007 -0.0825 235 GLU D CA 6166 C C . GLU D 236 ? 0.5586 0.4436 0.4285 0.0756 0.1212 -0.0918 235 GLU D C 6167 O O . GLU D 236 ? 0.5822 0.4803 0.4296 0.0776 0.1374 -0.0980 235 GLU D O 6168 C CB . GLU D 236 ? 0.5610 0.4057 0.4280 0.0763 0.0833 -0.0951 235 GLU D CB 6169 C CG . GLU D 236 ? 0.6002 0.4379 0.4468 0.0820 0.0827 -0.1157 235 GLU D CG 6170 C CD . GLU D 236 ? 0.6389 0.4924 0.4940 0.0947 0.0984 -0.1391 235 GLU D CD 6171 O OE1 . GLU D 236 ? 0.6767 0.5399 0.5024 0.0982 0.1073 -0.1544 235 GLU D OE1 6172 O OE2 . GLU D 236 ? 0.6395 0.5006 0.5307 0.1020 0.1018 -0.1434 235 GLU D OE2 6173 N N . ALA D 237 ? 0.5428 0.4373 0.4515 0.0773 0.1201 -0.0921 236 ALA D N 6174 C CA . ALA D 237 ? 0.5479 0.4700 0.4839 0.0828 0.1378 -0.1033 236 ALA D CA 6175 C C . ALA D 237 ? 0.5354 0.4621 0.5171 0.0912 0.1250 -0.1097 236 ALA D C 6176 O O . ALA D 237 ? 0.5163 0.4331 0.5083 0.0869 0.1075 -0.0973 236 ALA D O 6177 C CB . ALA D 237 ? 0.5432 0.4836 0.4802 0.0701 0.1562 -0.0887 236 ALA D CB 6178 N N . TRP D 238 ? 0.5514 0.4965 0.5599 0.1049 0.1332 -0.1296 237 TRP D N 6179 C CA . TRP D 238 ? 0.5454 0.5011 0.6031 0.1159 0.1217 -0.1355 237 TRP D CA 6180 C C . TRP D 238 ? 0.5330 0.5275 0.6222 0.1091 0.1364 -0.1323 237 TRP D C 6181 O O . TRP D 238 ? 0.5408 0.5572 0.6206 0.1004 0.1612 -0.1325 237 TRP D O 6182 C CB . TRP D 238 ? 0.5711 0.5286 0.6502 0.1372 0.1221 -0.1621 237 TRP D CB 6183 C CG . TRP D 238 ? 0.5863 0.5016 0.6498 0.1440 0.1022 -0.1674 237 TRP D CG 6184 C CD1 . TRP D 238 ? 0.6042 0.5018 0.6291 0.1420 0.1055 -0.1778 237 TRP D CD1 6185 C CD2 . TRP D 238 ? 0.5893 0.4754 0.6778 0.1523 0.0746 -0.1616 237 TRP D CD2 6186 N NE1 . TRP D 238 ? 0.6194 0.4777 0.6478 0.1468 0.0821 -0.1810 237 TRP D NE1 6187 C CE2 . TRP D 238 ? 0.6109 0.4595 0.6777 0.1528 0.0636 -0.1688 237 TRP D CE2 6188 C CE3 . TRP D 238 ? 0.5773 0.4666 0.7043 0.1587 0.0571 -0.1491 237 TRP D CE3 6189 C CZ2 . TRP D 238 ? 0.6214 0.4316 0.7062 0.1573 0.0371 -0.1614 237 TRP D CZ2 6190 C CZ3 . TRP D 238 ? 0.5906 0.4432 0.7305 0.1655 0.0302 -0.1396 237 TRP D CZ3 6191 C CH2 . TRP D 238 ? 0.6103 0.4220 0.7303 0.1637 0.0213 -0.1446 237 TRP D CH2 6192 N N . GLY D 239 ? 0.5192 0.5240 0.6466 0.1119 0.1204 -0.1282 238 GLY D N 6193 C CA . GLY D 239 ? 0.5098 0.5558 0.6778 0.1060 0.1307 -0.1298 238 GLY D CA 6194 C C . GLY D 239 ? 0.5273 0.6115 0.7280 0.1176 0.1522 -0.1507 238 GLY D C 6195 O O . GLY D 239 ? 0.5468 0.6242 0.7438 0.1351 0.1542 -0.1677 238 GLY D O 6196 N N . ARG D 240 ? 0.5244 0.6511 0.7595 0.1074 0.1689 -0.1516 239 ARG D N 6197 C CA . ARG D 240 ? 0.5435 0.7186 0.8142 0.1162 0.1935 -0.1712 239 ARG D CA 6198 C C . ARG D 240 ? 0.5311 0.7567 0.8602 0.1062 0.2005 -0.1719 239 ARG D C 6199 O O . ARG D 240 ? 0.5168 0.7391 0.8485 0.0852 0.1953 -0.1562 239 ARG D O 6200 C CB . ARG D 240 ? 0.5675 0.7485 0.7971 0.1081 0.2251 -0.1718 239 ARG D CB 6201 C CG . ARG D 240 ? 0.5754 0.7535 0.7805 0.0794 0.2406 -0.1469 239 ARG D CG 6202 C CD . ARG D 240 ? 0.6178 0.7749 0.7592 0.0752 0.2553 -0.1391 239 ARG D CD 6203 N NE . ARG D 240 ? 0.6259 0.7303 0.7256 0.0810 0.2299 -0.1342 239 ARG D NE 6204 C CZ . ARG D 240 ? 0.6523 0.7335 0.6966 0.0805 0.2334 -0.1296 239 ARG D CZ 6205 N NH1 . ARG D 240 ? 0.6864 0.7913 0.7037 0.0755 0.2607 -0.1278 239 ARG D NH1 6206 N NH2 . ARG D 240 ? 0.6402 0.6788 0.6560 0.0844 0.2093 -0.1259 239 ARG D NH2 6207 N N . ALA D 241 ? 0.5408 0.8148 0.9197 0.1219 0.2120 -0.1933 240 ALA D N 6208 C CA . ALA D 241 ? 0.5314 0.8639 0.9758 0.1142 0.2192 -0.1982 240 ALA D CA 6209 C C . ALA D 241 ? 0.5363 0.8945 0.9783 0.0829 0.2514 -0.1854 240 ALA D C 6210 O O . ALA D 241 ? 0.5231 0.8918 0.9913 0.0609 0.2466 -0.1743 240 ALA D O 6211 C CB . ALA D 241 ? 0.5442 0.9257 1.0430 0.1414 0.2261 -0.2261 240 ALA D CB 6212 N N . ASN E 7 ? 1.0638 2.7848 0.6913 0.1607 -0.0956 0.9112 7 ASN E N 6213 C CA . ASN E 7 ? 1.0291 2.6788 0.6300 0.1534 -0.1033 0.8007 7 ASN E CA 6214 C C . ASN E 7 ? 0.9641 2.5031 0.6342 0.1324 -0.1253 0.7676 7 ASN E C 6215 O O . ASN E 7 ? 0.9703 2.5063 0.6189 0.1312 -0.1587 0.7242 7 ASN E O 6216 C CB . ASN E 7 ? 1.0879 2.8121 0.5816 0.1716 -0.1250 0.7337 7 ASN E CB 6217 C CG . ASN E 7 ? 1.0735 2.7506 0.5308 0.1710 -0.1201 0.6332 7 ASN E CG 6218 O OD1 . ASN E 7 ? 1.0082 2.5785 0.5183 0.1525 -0.1181 0.5935 7 ASN E OD1 6219 N ND2 . ASN E 7 ? 1.1361 2.8954 0.5023 0.1932 -0.1190 0.5913 7 ASN E ND2 6220 N N . TYR E 8 ? 0.9051 2.3580 0.6592 0.1162 -0.1064 0.7874 8 TYR E N 6221 C CA . TYR E 8 ? 0.8458 2.2014 0.6735 0.0985 -0.1220 0.7700 8 TYR E CA 6222 C C . TYR E 8 ? 0.7876 2.0429 0.6500 0.0832 -0.1061 0.7174 8 TYR E C 6223 O O . TYR E 8 ? 0.7912 2.0506 0.6243 0.0862 -0.0846 0.6945 8 TYR E O 6224 C CB . TYR E 8 ? 0.8410 2.1936 0.7522 0.0962 -0.1217 0.8592 8 TYR E CB 6225 C CG . TYR E 8 ? 0.9033 2.3580 0.7859 0.1124 -0.1371 0.9239 8 TYR E CG 6226 C CD1 . TYR E 8 ? 0.9144 2.3867 0.7909 0.1155 -0.1723 0.9141 8 TYR E CD1 6227 C CD2 . TYR E 8 ? 0.9519 2.4911 0.8147 0.1247 -0.1166 0.9979 8 TYR E CD2 6228 C CE1 . TYR E 8 ? 0.9750 2.5454 0.8236 0.1316 -0.1893 0.9748 8 TYR E CE1 6229 C CE2 . TYR E 8 ? 1.0146 2.6535 0.8466 0.1408 -0.1311 1.0620 8 TYR E CE2 6230 C CZ . TYR E 8 ? 1.0258 2.6791 0.8496 0.1446 -0.1688 1.0494 8 TYR E CZ 6231 O OH . TYR E 8 ? 1.0860 2.8414 0.8786 0.1616 -0.1858 1.1143 8 TYR E OH 6232 N N . THR E 9 ? 0.7369 1.9074 0.6611 0.0685 -0.1167 0.6986 9 THR E N 6233 C CA . THR E 9 ? 0.6824 1.7590 0.6389 0.0544 -0.1047 0.6503 9 THR E CA 6234 C C . THR E 9 ? 0.6411 1.6497 0.6941 0.0437 -0.0982 0.6866 9 THR E C 6235 O O . THR E 9 ? 0.6366 1.6391 0.7337 0.0432 -0.1135 0.7135 9 THR E O 6236 C CB . THR E 9 ? 0.6658 1.6995 0.5880 0.0469 -0.1245 0.5663 9 THR E CB 6237 O OG1 . THR E 9 ? 0.7128 1.8108 0.5514 0.0582 -0.1356 0.5302 9 THR E OG1 6238 C CG2 . THR E 9 ? 0.6201 1.5694 0.5604 0.0352 -0.1107 0.5180 9 THR E CG2 6239 N N . PHE E 10 ? 0.6143 1.5748 0.7015 0.0367 -0.0765 0.6841 10 PHE E N 6240 C CA . PHE E 10 ? 0.5795 1.4703 0.7572 0.0268 -0.0703 0.7060 10 PHE E CA 6241 C C . PHE E 10 ? 0.5372 1.3436 0.7201 0.0154 -0.0723 0.6349 10 PHE E C 6242 O O . PHE E 10 ? 0.5313 1.3270 0.6658 0.0137 -0.0662 0.5863 10 PHE E O 6243 C CB . PHE E 10 ? 0.5870 1.4910 0.8047 0.0261 -0.0465 0.7580 10 PHE E CB 6244 C CG . PHE E 10 ? 0.5572 1.3942 0.8750 0.0165 -0.0426 0.7832 10 PHE E CG 6245 C CD1 . PHE E 10 ? 0.5609 1.3944 0.9462 0.0187 -0.0532 0.8350 10 PHE E CD1 6246 C CD2 . PHE E 10 ? 0.5258 1.3049 0.8737 0.0067 -0.0302 0.7539 10 PHE E CD2 6247 C CE1 . PHE E 10 ? 0.5407 1.3101 1.0233 0.0115 -0.0516 0.8524 10 PHE E CE1 6248 C CE2 . PHE E 10 ? 0.5062 1.2246 0.9474 -0.0014 -0.0297 0.7709 10 PHE E CE2 6249 C CZ . PHE E 10 ? 0.5140 1.2260 1.0234 0.0011 -0.0403 0.8181 10 PHE E CZ 6250 N N . ARG E 11 ? 0.5113 1.2614 0.7531 0.0094 -0.0808 0.6298 11 ARG E N 6251 C CA . ARG E 11 ? 0.4757 1.1542 0.7190 -0.0001 -0.0835 0.5665 11 ARG E CA 6252 C C . ARG E 11 ? 0.4504 1.0636 0.7738 -0.0050 -0.0793 0.5715 11 ARG E C 6253 O O . ARG E 11 ? 0.4557 1.0672 0.8367 -0.0010 -0.0860 0.6050 11 ARG E O 6254 C CB . ARG E 11 ? 0.4742 1.1582 0.6867 -0.0013 -0.1028 0.5315 11 ARG E CB 6255 C CG . ARG E 11 ? 0.4974 1.2232 0.6283 0.0004 -0.1112 0.4973 11 ARG E CG 6256 C CD . ARG E 11 ? 0.5037 1.2441 0.6219 -0.0018 -0.1340 0.4756 11 ARG E CD 6257 N NE . ARG E 11 ? 0.5295 1.2987 0.5767 -0.0021 -0.1460 0.4317 11 ARG E NE 6258 C CZ . ARG E 11 ? 0.5736 1.4157 0.5764 0.0072 -0.1600 0.4421 11 ARG E CZ 6259 N NH1 . ARG E 11 ? 0.5962 1.4938 0.6156 0.0176 -0.1629 0.5020 11 ARG E NH1 6260 N NH2 . ARG E 11 ? 0.5989 1.4593 0.5416 0.0071 -0.1727 0.3919 11 ARG E NH2 6261 N N . CYS E 12 ? 0.4278 0.9890 0.7552 -0.0122 -0.0697 0.5356 12 CYS E N 6262 C CA . CYS E 12 ? 0.4066 0.9032 0.7977 -0.0164 -0.0685 0.5222 12 CYS E CA 6263 C C . CYS E 12 ? 0.3827 0.8389 0.7424 -0.0214 -0.0738 0.4612 12 CYS E C 6264 O O . CYS E 12 ? 0.3753 0.8144 0.6891 -0.0266 -0.0699 0.4228 12 CYS E O 6265 C CB . CYS E 12 ? 0.4025 0.8737 0.8237 -0.0210 -0.0561 0.5271 12 CYS E CB 6266 S SG . CYS E 12 ? 0.4457 0.9627 0.9197 -0.0183 -0.0468 0.6062 12 CYS E SG 6267 N N . LEU E 13 ? 0.3749 0.8189 0.7629 -0.0192 -0.0820 0.4551 13 LEU E N 6268 C CA . LEU E 13 ? 0.3556 0.7744 0.7147 -0.0244 -0.0858 0.4054 13 LEU E CA 6269 C C . LEU E 13 ? 0.3393 0.7022 0.7382 -0.0249 -0.0807 0.3781 13 LEU E C 6270 O O . LEU E 13 ? 0.3414 0.6936 0.8012 -0.0176 -0.0822 0.3917 13 LEU E O 6271 C CB . LEU E 13 ? 0.3603 0.8151 0.7153 -0.0220 -0.0980 0.4118 13 LEU E CB 6272 C CG . LEU E 13 ? 0.3792 0.8969 0.6929 -0.0196 -0.1076 0.4358 13 LEU E CG 6273 C CD1 . LEU E 13 ? 0.3822 0.9308 0.6976 -0.0189 -0.1231 0.4340 13 LEU E CD1 6274 C CD2 . LEU E 13 ? 0.3757 0.9012 0.6187 -0.0250 -0.1057 0.4076 13 LEU E CD2 6275 N N . GLN E 14 ? 0.3277 0.6573 0.6919 -0.0316 -0.0758 0.3386 14 GLN E N 6276 C CA . GLN E 14 ? 0.3189 0.6007 0.7078 -0.0312 -0.0717 0.3080 14 GLN E CA 6277 C C . GLN E 14 ? 0.3115 0.5825 0.6644 -0.0359 -0.0714 0.2706 14 GLN E C 6278 O O . GLN E 14 ? 0.3092 0.5823 0.6078 -0.0442 -0.0724 0.2531 14 GLN E O 6279 C CB . GLN E 14 ? 0.3152 0.5692 0.6983 -0.0347 -0.0672 0.2965 14 GLN E CB 6280 C CG . GLN E 14 ? 0.3178 0.5263 0.7182 -0.0336 -0.0660 0.2608 14 GLN E CG 6281 C CD . GLN E 14 ? 0.3304 0.5164 0.7208 -0.0378 -0.0649 0.2474 14 GLN E CD 6282 O OE1 . GLN E 14 ? 0.3381 0.5379 0.7437 -0.0394 -0.0634 0.2736 14 GLN E OE1 6283 N NE2 . GLN E 14 ? 0.3287 0.4847 0.6946 -0.0390 -0.0655 0.2088 14 GLN E NE2 6284 N N . MET E 15 ? 0.3099 0.5710 0.6978 -0.0300 -0.0695 0.2594 15 MET E N 6285 C CA . MET E 15 ? 0.3059 0.5615 0.6672 -0.0343 -0.0657 0.2286 15 MET E CA 6286 C C . MET E 15 ? 0.3073 0.5286 0.6834 -0.0282 -0.0583 0.1982 15 MET E C 6287 O O . MET E 15 ? 0.3122 0.5281 0.7405 -0.0160 -0.0567 0.1966 15 MET E O 6288 C CB . MET E 15 ? 0.3062 0.5981 0.6850 -0.0328 -0.0689 0.2402 15 MET E CB 6289 C CG . MET E 15 ? 0.3157 0.6187 0.7632 -0.0181 -0.0702 0.2609 15 MET E CG 6290 S SD . MET E 15 ? 0.3307 0.6897 0.7954 -0.0164 -0.0823 0.2974 15 MET E SD 6291 C CE . MET E 15 ? 0.3260 0.6962 0.7997 -0.0129 -0.0895 0.3416 15 MET E CE 6292 N N . SER E 16 ? 0.3065 0.5061 0.6364 -0.0353 -0.0554 0.1733 16 SER E N 6293 C CA . SER E 16 ? 0.3160 0.4873 0.6468 -0.0294 -0.0506 0.1428 16 SER E CA 6294 C C . SER E 16 ? 0.3210 0.4978 0.6160 -0.0331 -0.0424 0.1220 16 SER E C 6295 O O . SER E 16 ? 0.3186 0.5002 0.5707 -0.0457 -0.0429 0.1243 16 SER E O 6296 C CB . SER E 16 ? 0.3175 0.4613 0.6287 -0.0329 -0.0551 0.1342 16 SER E CB 6297 O OG . SER E 16 ? 0.3189 0.4566 0.6782 -0.0284 -0.0603 0.1517 16 SER E OG 6298 N N . SER E 17 ? 0.3338 0.5113 0.6499 -0.0213 -0.0347 0.1020 17 SER E N 6299 C CA . SER E 17 ? 0.3437 0.5348 0.6299 -0.0228 -0.0231 0.0857 17 SER E CA 6300 C C . SER E 17 ? 0.3634 0.5353 0.6278 -0.0143 -0.0194 0.0543 17 SER E C 6301 O O . SER E 17 ? 0.3756 0.5319 0.6719 -0.0004 -0.0233 0.0360 17 SER E O 6302 C CB . SER E 17 ? 0.3449 0.5697 0.6707 -0.0141 -0.0140 0.0889 17 SER E CB 6303 O OG . SER E 17 ? 0.3315 0.5787 0.6755 -0.0220 -0.0206 0.1180 17 SER E OG 6304 N N . PHE E 18 ? 0.3721 0.5457 0.5841 -0.0228 -0.0138 0.0488 18 PHE E N 6305 C CA . PHE E 18 ? 0.3969 0.5611 0.5768 -0.0148 -0.0106 0.0218 18 PHE E CA 6306 C C . PHE E 18 ? 0.4161 0.6117 0.5674 -0.0165 0.0063 0.0219 18 PHE E C 6307 O O . PHE E 18 ? 0.4132 0.6131 0.5339 -0.0333 0.0083 0.0419 18 PHE E O 6308 C CB . PHE E 18 ? 0.3950 0.5300 0.5354 -0.0241 -0.0227 0.0227 18 PHE E CB 6309 C CG . PHE E 18 ? 0.3724 0.4829 0.5416 -0.0236 -0.0370 0.0258 18 PHE E CG 6310 C CD1 . PHE E 18 ? 0.3431 0.4534 0.5221 -0.0344 -0.0420 0.0523 18 PHE E CD1 6311 C CD2 . PHE E 18 ? 0.3886 0.4802 0.5765 -0.0126 -0.0458 0.0020 18 PHE E CD2 6312 C CE1 . PHE E 18 ? 0.3311 0.4271 0.5371 -0.0338 -0.0518 0.0602 18 PHE E CE1 6313 C CE2 . PHE E 18 ? 0.3730 0.4457 0.5958 -0.0144 -0.0578 0.0097 18 PHE E CE2 6314 C CZ . PHE E 18 ? 0.3488 0.4259 0.5800 -0.0250 -0.0589 0.0415 18 PHE E CZ 6315 N N . ALA E 19 ? 0.4395 0.6590 0.6058 0.0010 0.0189 0.0000 19 ALA E N 6316 C CA . ALA E 19 ? 0.4650 0.7251 0.6086 0.0015 0.0394 0.0019 19 ALA E CA 6317 C C . ALA E 19 ? 0.5022 0.7630 0.5854 0.0045 0.0433 -0.0115 19 ALA E C 6318 O O . ALA E 19 ? 0.5181 0.8042 0.5678 -0.0049 0.0567 0.0064 19 ALA E O 6319 C CB . ALA E 19 ? 0.4757 0.7703 0.6632 0.0219 0.0539 -0.0154 19 ALA E CB 6320 N N . ASN E 20 ? 0.5214 0.7566 0.5945 0.0173 0.0303 -0.0409 20 ASN E N 6321 C CA . ASN E 20 ? 0.5616 0.7969 0.5765 0.0224 0.0281 -0.0562 20 ASN E CA 6322 C C . ASN E 20 ? 0.5676 0.7653 0.5863 0.0304 0.0050 -0.0840 20 ASN E C 6323 O O . ASN E 20 ? 0.5411 0.7090 0.6052 0.0267 -0.0084 -0.0815 20 ASN E O 6324 C CB . ASN E 20 ? 0.6055 0.8897 0.5967 0.0407 0.0491 -0.0771 20 ASN E CB 6325 C CG . ASN E 20 ? 0.6212 0.9225 0.6653 0.0628 0.0567 -0.1085 20 ASN E CG 6326 O OD1 . ASN E 20 ? 0.6288 0.9013 0.7069 0.0755 0.0405 -0.1394 20 ASN E OD1 6327 N ND2 . ASN E 20 ? 0.6429 0.9918 0.7005 0.0674 0.0811 -0.0999 20 ASN E ND2 6328 N N . ARG E 21 ? 0.6075 0.8109 0.5802 0.0411 0.0000 -0.1082 21 ARG E N 6329 C CA . ARG E 21 ? 0.6179 0.7898 0.5921 0.0473 -0.0245 -0.1358 21 ARG E CA 6330 C C . ARG E 21 ? 0.6164 0.7705 0.6562 0.0611 -0.0352 -0.1701 21 ARG E C 6331 O O . ARG E 21 ? 0.6075 0.7278 0.6759 0.0579 -0.0566 -0.1785 21 ARG E O 6332 C CB . ARG E 21 ? 0.6692 0.8613 0.5797 0.0594 -0.0284 -0.1589 21 ARG E CB 6333 C CG . ARG E 21 ? 0.6788 0.8751 0.5296 0.0449 -0.0273 -0.1220 21 ARG E CG 6334 C CD . ARG E 21 ? 0.7310 0.9478 0.5201 0.0588 -0.0360 -0.1437 21 ARG E CD 6335 N N . SER E 22 ? 0.6277 0.8054 0.6975 0.0766 -0.0206 -0.1884 22 SER E N 6336 C CA . SER E 22 ? 0.6358 0.7952 0.7743 0.0924 -0.0314 -0.2232 22 SER E CA 6337 C C . SER E 22 ? 0.5983 0.7486 0.8061 0.0871 -0.0261 -0.1959 22 SER E C 6338 O O . SER E 22 ? 0.5836 0.6997 0.8491 0.0832 -0.0423 -0.1916 22 SER E O 6339 C CB . SER E 22 ? 0.6889 0.8791 0.8184 0.1207 -0.0235 -0.2756 22 SER E CB 6340 O OG . SER E 22 ? 0.6938 0.9304 0.8096 0.1269 0.0052 -0.2634 22 SER E OG 6341 N N . TRP E 23 ? 0.5867 0.7713 0.7909 0.0865 -0.0039 -0.1747 23 TRP E N 6342 C CA . TRP E 23 ? 0.5556 0.7415 0.8234 0.0847 0.0009 -0.1501 23 TRP E CA 6343 C C . TRP E 23 ? 0.5108 0.6743 0.7865 0.0604 -0.0085 -0.1037 23 TRP E C 6344 O O . TRP E 23 ? 0.4969 0.6670 0.7235 0.0425 -0.0045 -0.0772 23 TRP E O 6345 C CB . TRP E 23 ? 0.5602 0.7958 0.8213 0.0901 0.0263 -0.1412 23 TRP E CB 6346 C CG . TRP E 23 ? 0.5464 0.7911 0.8808 0.0976 0.0303 -0.1290 23 TRP E CG 6347 C CD1 . TRP E 23 ? 0.5735 0.8297 0.9622 0.1239 0.0351 -0.1606 23 TRP E CD1 6348 C CD2 . TRP E 23 ? 0.5075 0.7530 0.8700 0.0804 0.0280 -0.0827 23 TRP E CD2 6349 N NE1 . TRP E 23 ? 0.5515 0.8146 1.0032 0.1240 0.0359 -0.1327 23 TRP E NE1 6350 C CE2 . TRP E 23 ? 0.5091 0.7681 0.9432 0.0972 0.0311 -0.0845 23 TRP E CE2 6351 C CE3 . TRP E 23 ? 0.4734 0.7111 0.8079 0.0542 0.0221 -0.0425 23 TRP E CE3 6352 C CZ2 . TRP E 23 ? 0.4805 0.7487 0.9555 0.0879 0.0277 -0.0440 23 TRP E CZ2 6353 C CZ3 . TRP E 23 ? 0.4480 0.6953 0.8203 0.0454 0.0190 -0.0075 23 TRP E CZ3 6354 C CH2 . TRP E 23 ? 0.4516 0.7155 0.8919 0.0618 0.0213 -0.0067 23 TRP E CH2 6355 N N . SER E 24 ? 0.4933 0.6322 0.8330 0.0610 -0.0212 -0.0940 24 SER E N 6356 C CA . SER E 24 ? 0.4565 0.5799 0.8062 0.0417 -0.0301 -0.0520 24 SER E CA 6357 C C . SER E 24 ? 0.4439 0.5627 0.8705 0.0467 -0.0351 -0.0317 24 SER E C 6358 O O . SER E 24 ? 0.4647 0.5700 0.9485 0.0633 -0.0407 -0.0544 24 SER E O 6359 C CB . SER E 24 ? 0.4566 0.5483 0.7892 0.0330 -0.0461 -0.0567 24 SER E CB 6360 O OG . SER E 24 ? 0.4300 0.5103 0.7848 0.0192 -0.0537 -0.0198 24 SER E OG 6361 N N . ARG E 25 ? 0.4142 0.5443 0.8431 0.0329 -0.0349 0.0106 25 ARG E N 6362 C CA . ARG E 25 ? 0.4050 0.5374 0.9012 0.0369 -0.0404 0.0394 25 ARG E CA 6363 C C . ARG E 25 ? 0.3807 0.5139 0.8677 0.0198 -0.0476 0.0822 25 ARG E C 6364 O O . ARG E 25 ? 0.3646 0.5132 0.7975 0.0060 -0.0441 0.0953 25 ARG E O 6365 C CB . ARG E 25 ? 0.4059 0.5736 0.9244 0.0463 -0.0294 0.0456 25 ARG E CB 6366 C CG . ARG E 25 ? 0.4005 0.5746 0.9915 0.0534 -0.0364 0.0773 25 ARG E CG 6367 C CD . ARG E 25 ? 0.4038 0.6141 1.0247 0.0665 -0.0265 0.0770 25 ARG E CD 6368 N NE . ARG E 25 ? 0.4106 0.6235 1.1103 0.0780 -0.0356 0.1048 25 ARG E NE 6369 C CZ . ARG E 25 ? 0.4391 0.6311 1.2115 0.0991 -0.0401 0.0879 25 ARG E CZ 6370 N NH1 . ARG E 25 ? 0.4640 0.6332 1.2374 0.1119 -0.0368 0.0370 25 ARG E NH1 6371 N NH2 . ARG E 25 ? 0.4451 0.6396 1.2912 0.1084 -0.0497 0.1213 25 ARG E NH2 6372 N N . THR E 26 ? 0.3819 0.5003 0.9249 0.0216 -0.0575 0.1038 26 THR E N 6373 C CA . THR E 26 ? 0.3668 0.4957 0.9057 0.0089 -0.0622 0.1474 26 THR E CA 6374 C C . THR E 26 ? 0.3693 0.5134 0.9737 0.0159 -0.0665 0.1861 26 THR E C 6375 O O . THR E 26 ? 0.3864 0.5098 1.0615 0.0254 -0.0728 0.1894 26 THR E O 6376 C CB . THR E 26 ? 0.3687 0.4728 0.9061 0.0008 -0.0691 0.1482 26 THR E CB 6377 O OG1 . THR E 26 ? 0.3700 0.4631 0.8445 -0.0048 -0.0671 0.1163 26 THR E OG1 6378 C CG2 . THR E 26 ? 0.3581 0.4824 0.8896 -0.0097 -0.0704 0.1939 26 THR E CG2 6379 N N . ASP E 27 ? 0.3577 0.5382 0.9414 0.0113 -0.0650 0.2151 27 ASP E N 6380 C CA . ASP E 27 ? 0.3630 0.5665 0.9999 0.0177 -0.0708 0.2585 27 ASP E CA 6381 C C . ASP E 27 ? 0.3543 0.5864 0.9551 0.0057 -0.0741 0.2980 27 ASP E C 6382 O O . ASP E 27 ? 0.3435 0.5890 0.8758 -0.0052 -0.0716 0.2874 27 ASP E O 6383 C CB . ASP E 27 ? 0.3638 0.5958 1.0149 0.0271 -0.0683 0.2558 27 ASP E CB 6384 C CG . ASP E 27 ? 0.3819 0.5946 1.0731 0.0435 -0.0627 0.2164 27 ASP E CG 6385 O OD1 . ASP E 27 ? 0.3880 0.6194 1.0525 0.0457 -0.0533 0.1917 27 ASP E OD1 6386 O OD2 . ASP E 27 ? 0.4014 0.5825 1.1532 0.0547 -0.0676 0.2093 27 ASP E OD2 6387 N N . SER E 28 ? 0.3639 0.6070 1.0122 0.0089 -0.0800 0.3437 28 SER E N 6388 C CA . SER E 28 ? 0.3643 0.6430 0.9777 0.0005 -0.0817 0.3831 28 SER E CA 6389 C C . SER E 28 ? 0.3803 0.6935 1.0415 0.0083 -0.0888 0.4399 28 SER E C 6390 O O . SER E 28 ? 0.3957 0.6913 1.1361 0.0181 -0.0928 0.4589 28 SER E O 6391 C CB . SER E 28 ? 0.3633 0.6240 0.9657 -0.0079 -0.0778 0.3852 28 SER E CB 6392 O OG . SER E 28 ? 0.3819 0.6144 1.0639 -0.0037 -0.0804 0.4010 28 SER E OG 6393 N N . VAL E 29 ? 0.3825 0.7454 0.9960 0.0047 -0.0922 0.4658 29 VAL E N 6394 C CA . VAL E 29 ? 0.4030 0.8107 1.0474 0.0122 -0.1005 0.5243 29 VAL E CA 6395 C C . VAL E 29 ? 0.4137 0.8671 1.0042 0.0064 -0.0992 0.5569 29 VAL E C 6396 O O . VAL E 29 ? 0.4049 0.8682 0.9213 -0.0017 -0.0959 0.5268 29 VAL E O 6397 C CB . VAL E 29 ? 0.4031 0.8428 1.0498 0.0195 -0.1105 0.5238 29 VAL E CB 6398 C CG1 . VAL E 29 ? 0.4015 0.8081 1.1217 0.0314 -0.1107 0.5069 29 VAL E CG1 6399 C CG2 . VAL E 29 ? 0.3899 0.8461 0.9580 0.0094 -0.1110 0.4825 29 VAL E CG2 6400 N N . VAL E 30 ? 0.4367 0.9198 1.0665 0.0118 -0.1014 0.6191 30 VAL E N 6401 C CA . VAL E 30 ? 0.4532 0.9886 1.0357 0.0090 -0.0970 0.6557 30 VAL E CA 6402 C C . VAL E 30 ? 0.4795 1.0845 1.0429 0.0176 -0.1090 0.6999 30 VAL E C 6403 O O . VAL E 30 ? 0.4923 1.1048 1.1158 0.0271 -0.1192 0.7360 30 VAL E O 6404 C CB . VAL E 30 ? 0.4656 0.9898 1.1015 0.0061 -0.0867 0.6983 30 VAL E CB 6405 C CG1 . VAL E 30 ? 0.4877 1.0773 1.0752 0.0054 -0.0786 0.7404 30 VAL E CG1 6406 C CG2 . VAL E 30 ? 0.4448 0.9072 1.0916 -0.0028 -0.0781 0.6500 30 VAL E CG2 6407 N N . TRP E 31 ? 0.4906 1.1474 0.9707 0.0159 -0.1094 0.6944 31 TRP E N 6408 C CA . TRP E 31 ? 0.5218 1.2528 0.9683 0.0244 -0.1233 0.7285 31 TRP E CA 6409 C C . TRP E 31 ? 0.5549 1.3497 0.9591 0.0280 -0.1150 0.7734 31 TRP E C 6410 O O . TRP E 31 ? 0.5494 1.3412 0.9112 0.0226 -0.1004 0.7509 31 TRP E O 6411 C CB . TRP E 31 ? 0.5138 1.2589 0.8944 0.0210 -0.1362 0.6723 31 TRP E CB 6412 C CG . TRP E 31 ? 0.4902 1.1927 0.9104 0.0187 -0.1441 0.6370 31 TRP E CG 6413 C CD1 . TRP E 31 ? 0.4586 1.0969 0.8881 0.0103 -0.1350 0.5847 31 TRP E CD1 6414 C CD2 . TRP E 31 ? 0.4984 1.2271 0.9539 0.0263 -0.1615 0.6530 31 TRP E CD2 6415 N NE1 . TRP E 31 ? 0.4445 1.0699 0.9115 0.0124 -0.1431 0.5674 31 TRP E NE1 6416 C CE2 . TRP E 31 ? 0.4678 1.1469 0.9546 0.0221 -0.1595 0.6077 31 TRP E CE2 6417 C CE3 . TRP E 31 ? 0.5275 1.3211 0.9917 0.0374 -0.1790 0.7030 31 TRP E CE3 6418 C CZ2 . TRP E 31 ? 0.4657 1.1590 0.9965 0.0286 -0.1724 0.6094 31 TRP E CZ2 6419 C CZ3 . TRP E 31 ? 0.5215 1.3260 1.0305 0.0436 -0.1949 0.7045 31 TRP E CZ3 6420 C CH2 . TRP E 31 ? 0.4888 1.2436 1.0326 0.0392 -0.1906 0.6573 31 TRP E CH2 6421 N N . LEU E 32 ? 0.5907 1.4472 1.0078 0.0385 -0.1240 0.8387 32 LEU E N 6422 C CA . LEU E 32 ? 0.6318 1.5689 0.9956 0.0450 -0.1178 0.8837 32 LEU E CA 6423 C C . LEU E 32 ? 0.6608 1.6710 0.9578 0.0545 -0.1395 0.8800 32 LEU E C 6424 O O . LEU E 32 ? 0.6876 1.7393 1.0124 0.0644 -0.1552 0.9327 32 LEU E O 6425 C CB . LEU E 32 ? 0.6604 1.6176 1.0954 0.0494 -0.1090 0.9739 32 LEU E CB 6426 N N . GLY E 33 ? 0.6584 1.6830 0.8712 0.0519 -0.1428 0.8162 33 GLY E N 6427 C CA . GLY E 33 ? 0.6846 1.7681 0.8361 0.0583 -0.1680 0.7941 33 GLY E CA 6428 C C . GLY E 33 ? 0.6528 1.6899 0.8421 0.0515 -0.1868 0.7554 33 GLY E C 6429 O O . GLY E 33 ? 0.6187 1.6002 0.7970 0.0399 -0.1848 0.6893 33 GLY E O 6430 N N . ASP E 34 ? 0.6660 1.7293 0.9032 0.0595 -0.2043 0.8001 34 ASP E N 6431 C CA . ASP E 34 ? 0.6363 1.6611 0.9261 0.0554 -0.2191 0.7732 34 ASP E CA 6432 C C . ASP E 34 ? 0.6292 1.6267 1.0209 0.0630 -0.2175 0.8277 34 ASP E C 6433 O O . ASP E 34 ? 0.6197 1.6128 1.0596 0.0666 -0.2332 0.8248 34 ASP E O 6434 C CB . ASP E 34 ? 0.6584 1.7434 0.9068 0.0578 -0.2497 0.7514 34 ASP E CB 6435 C CG . ASP E 34 ? 0.7148 1.8919 0.9458 0.0740 -0.2677 0.8162 34 ASP E CG 6436 O OD1 . ASP E 34 ? 0.7245 1.9113 1.0249 0.0841 -0.2740 0.8768 34 ASP E OD1 6437 O OD2 . ASP E 34 ? 0.7572 1.9990 0.9046 0.0782 -0.2768 0.8054 34 ASP E OD2 6438 N N . LEU E 35 ? 0.6362 1.6155 1.0662 0.0655 -0.1989 0.8760 35 LEU E N 6439 C CA . LEU E 35 ? 0.6333 1.5743 1.1691 0.0720 -0.1966 0.9236 35 LEU E CA 6440 C C . LEU E 35 ? 0.5988 1.4530 1.1795 0.0622 -0.1744 0.8948 35 LEU E C 6441 O O . LEU E 35 ? 0.5997 1.4455 1.1515 0.0547 -0.1566 0.8939 35 LEU E O 6442 C CB . LEU E 35 ? 0.6822 1.6800 1.2429 0.0836 -0.1989 1.0172 35 LEU E CB 6443 N N . GLN E 36 ? 0.5726 1.3671 1.2237 0.0636 -0.1762 0.8691 36 GLN E N 6444 C CA . GLN E 36 ? 0.5421 1.2552 1.2342 0.0560 -0.1591 0.8321 36 GLN E CA 6445 C C . GLN E 36 ? 0.5606 1.2489 1.3338 0.0590 -0.1514 0.8896 36 GLN E C 6446 O O . GLN E 36 ? 0.5835 1.2793 1.4326 0.0710 -0.1620 0.9431 36 GLN E O 6447 C CB . GLN E 36 ? 0.5153 1.1816 1.2506 0.0590 -0.1631 0.7818 36 GLN E CB 6448 C CG . GLN E 36 ? 0.4932 1.0809 1.2584 0.0526 -0.1474 0.7342 36 GLN E CG 6449 C CD . GLN E 36 ? 0.4851 1.0332 1.3113 0.0615 -0.1496 0.6980 36 GLN E CD 6450 O OE1 . GLN E 36 ? 0.4916 1.0703 1.3263 0.0694 -0.1608 0.6960 36 GLN E OE1 6451 N NE2 . GLN E 36 ? 0.4765 0.9603 1.3463 0.0611 -0.1392 0.6673 36 GLN E NE2 6452 N N . THR E 37 ? 0.5509 1.2085 1.3143 0.0478 -0.1343 0.8784 37 THR E N 6453 C CA . THR E 37 ? 0.5703 1.2068 1.4119 0.0464 -0.1266 0.9333 37 THR E CA 6454 C C . THR E 37 ? 0.5508 1.1003 1.4668 0.0418 -0.1214 0.8942 37 THR E C 6455 O O . THR E 37 ? 0.5709 1.0903 1.5855 0.0448 -0.1241 0.9351 37 THR E O 6456 C CB . THR E 37 ? 0.5864 1.2680 1.3773 0.0380 -0.1115 0.9676 37 THR E CB 6457 O OG1 . THR E 37 ? 0.5534 1.2088 1.2825 0.0266 -0.0988 0.9012 37 THR E OG1 6458 C CG2 . THR E 37 ? 0.6163 1.3911 1.3338 0.0457 -0.1176 1.0079 37 THR E CG2 6459 N N . HIS E 38 ? 0.5165 1.0265 1.3879 0.0349 -0.1156 0.8161 38 HIS E N 6460 C CA . HIS E 38 ? 0.5027 0.9363 1.4323 0.0316 -0.1118 0.7722 38 HIS E CA 6461 C C . HIS E 38 ? 0.4784 0.8764 1.3924 0.0362 -0.1145 0.6987 38 HIS E C 6462 O O . HIS E 38 ? 0.4630 0.8900 1.3036 0.0355 -0.1153 0.6698 38 HIS E O 6463 C CB . HIS E 38 ? 0.4913 0.9080 1.3932 0.0167 -0.0984 0.7559 38 HIS E CB 6464 C CG . HIS E 38 ? 0.5173 0.9643 1.4531 0.0112 -0.0921 0.8282 38 HIS E CG 6465 N ND1 . HIS E 38 ? 0.5324 1.0547 1.4101 0.0117 -0.0869 0.8772 38 HIS E ND1 6466 C CD2 . HIS E 38 ? 0.5323 0.9484 1.5560 0.0047 -0.0897 0.8602 38 HIS E CD2 6467 C CE1 . HIS E 38 ? 0.5556 1.0961 1.4819 0.0063 -0.0788 0.9406 38 HIS E CE1 6468 N NE2 . HIS E 38 ? 0.5551 1.0301 1.5743 0.0005 -0.0808 0.9329 38 HIS E NE2 6469 N N . ARG E 39 ? 0.4799 0.8173 1.4661 0.0410 -0.1160 0.6685 39 ARG E N 6470 C CA . ARG E 39 ? 0.4621 0.7672 1.4411 0.0476 -0.1156 0.5996 39 ARG E CA 6471 C C . ARG E 39 ? 0.4588 0.7011 1.4685 0.0441 -0.1118 0.5520 39 ARG E C 6472 O O . ARG E 39 ? 0.4819 0.6904 1.5775 0.0462 -0.1172 0.5720 39 ARG E O 6473 C CB . ARG E 39 ? 0.4779 0.7858 1.5278 0.0669 -0.1257 0.6114 39 ARG E CB 6474 C CG . ARG E 39 ? 0.4689 0.7435 1.5329 0.0777 -0.1228 0.5433 39 ARG E CG 6475 C CD . ARG E 39 ? 0.4944 0.7612 1.6560 0.1003 -0.1323 0.5558 39 ARG E CD 6476 N NE . ARG E 39 ? 0.5031 0.8277 1.6582 0.1079 -0.1398 0.5943 39 ARG E NE 6477 C CZ . ARG E 39 ? 0.5282 0.8785 1.7375 0.1157 -0.1524 0.6640 39 ARG E CZ 6478 N NH1 . ARG E 39 ? 0.5530 0.8744 1.8327 0.1157 -0.1572 0.7073 39 ARG E NH1 6479 N NH2 . ARG E 39 ? 0.5292 0.9363 1.7258 0.1230 -0.1613 0.6928 39 ARG E NH2 6480 N N . TRP E 40 ? 0.4333 0.6609 1.3756 0.0383 -0.1043 0.4904 40 TRP E N 6481 C CA . TRP E 40 ? 0.4312 0.6055 1.3913 0.0360 -0.1028 0.4404 40 TRP E CA 6482 C C . TRP E 40 ? 0.4177 0.5788 1.3345 0.0420 -0.0976 0.3729 40 TRP E C 6483 O O . TRP E 40 ? 0.3969 0.5677 1.2298 0.0320 -0.0901 0.3452 40 TRP E O 6484 C CB . TRP E 40 ? 0.4215 0.5929 1.3440 0.0187 -0.0980 0.4461 40 TRP E CB 6485 C CG . TRP E 40 ? 0.4269 0.5462 1.3874 0.0154 -0.1016 0.4069 40 TRP E CG 6486 C CD1 . TRP E 40 ? 0.4485 0.5233 1.4881 0.0264 -0.1108 0.3780 40 TRP E CD1 6487 C CD2 . TRP E 40 ? 0.4122 0.5214 1.3372 0.0014 -0.0983 0.3907 40 TRP E CD2 6488 N NE1 . TRP E 40 ? 0.4503 0.4887 1.5023 0.0190 -0.1153 0.3429 40 TRP E NE1 6489 C CE2 . TRP E 40 ? 0.4290 0.4884 1.4130 0.0033 -0.1077 0.3521 40 TRP E CE2 6490 C CE3 . TRP E 40 ? 0.3956 0.5344 1.2470 -0.0109 -0.0896 0.4019 40 TRP E CE3 6491 C CZ2 . TRP E 40 ? 0.4252 0.4659 1.3972 -0.0080 -0.1097 0.3279 40 TRP E CZ2 6492 C CZ3 . TRP E 40 ? 0.3930 0.5120 1.2347 -0.0208 -0.0895 0.3786 40 TRP E CZ3 6493 C CH2 . TRP E 40 ? 0.4032 0.4746 1.3052 -0.0200 -0.1001 0.3436 40 TRP E CH2 6494 N N . SER E 41 ? 0.4340 0.5753 1.4116 0.0596 -0.1011 0.3487 41 SER E N 6495 C CA . SER E 41 ? 0.4302 0.5647 1.3762 0.0686 -0.0938 0.2866 41 SER E CA 6496 C C . SER E 41 ? 0.4358 0.5292 1.3673 0.0654 -0.0934 0.2346 41 SER E C 6497 O O . SER E 41 ? 0.4499 0.5123 1.4262 0.0602 -0.1020 0.2425 41 SER E O 6498 C CB . SER E 41 ? 0.4510 0.5835 1.4718 0.0923 -0.0965 0.2763 41 SER E CB 6499 O OG . SER E 41 ? 0.4477 0.6253 1.4732 0.0962 -0.0975 0.3185 41 SER E OG 6500 N N . ASN E 42 ? 0.4291 0.5260 1.3004 0.0679 -0.0841 0.1841 42 ASN E N 6501 C CA . ASN E 42 ? 0.4396 0.5043 1.2898 0.0676 -0.0851 0.1316 42 ASN E CA 6502 C C . ASN E 42 ? 0.4760 0.5025 1.4121 0.0856 -0.0956 0.0979 42 ASN E C 6503 O O . ASN E 42 ? 0.4919 0.4842 1.4447 0.0820 -0.1056 0.0724 42 ASN E O 6504 C CB . ASN E 42 ? 0.4306 0.5144 1.1973 0.0679 -0.0719 0.0914 42 ASN E CB 6505 C CG . ASN E 42 ? 0.4435 0.5011 1.1753 0.0665 -0.0744 0.0433 42 ASN E CG 6506 O OD1 . ASN E 42 ? 0.4361 0.4830 1.1332 0.0507 -0.0790 0.0514 42 ASN E OD1 6507 N ND2 . ASN E 42 ? 0.4718 0.5233 1.2129 0.0850 -0.0720 -0.0081 42 ASN E ND2 6508 N N . ASP E 43 ? 0.4914 0.5244 1.4862 0.1056 -0.0949 0.0961 43 ASP E N 6509 C CA . ASP E 43 ? 0.5318 0.5286 1.6170 0.1269 -0.1057 0.0604 43 ASP E CA 6510 C C . ASP E 43 ? 0.5483 0.5070 1.7260 0.1205 -0.1240 0.0962 43 ASP E C 6511 O O . ASP E 43 ? 0.5841 0.5006 1.8368 0.1316 -0.1381 0.0616 43 ASP E O 6512 C CB . ASP E 43 ? 0.5457 0.5640 1.6748 0.1516 -0.0994 0.0546 43 ASP E CB 6513 N N . SER E 44 ? 0.5256 0.5022 1.6990 0.1028 -0.1240 0.1652 44 SER E N 6514 C CA . SER E 44 ? 0.5412 0.4930 1.8006 0.0941 -0.1378 0.2148 44 SER E CA 6515 C C . SER E 44 ? 0.5413 0.4673 1.7913 0.0750 -0.1443 0.2031 44 SER E C 6516 O O . SER E 44 ? 0.5190 0.4569 1.6782 0.0648 -0.1367 0.1749 44 SER E O 6517 C CB . SER E 44 ? 0.5216 0.5149 1.7725 0.0848 -0.1332 0.2953 44 SER E CB 6518 O OG . SER E 44 ? 0.5456 0.5213 1.8978 0.0830 -0.1453 0.3513 44 SER E OG 6519 N N . ALA E 45 ? 0.5681 0.4593 1.9189 0.0701 -0.1596 0.2265 45 ALA E N 6520 C CA . ALA E 45 ? 0.5693 0.4399 1.9300 0.0502 -0.1674 0.2245 45 ALA E CA 6521 C C . ALA E 45 ? 0.5507 0.4521 1.9094 0.0296 -0.1605 0.3061 45 ALA E C 6522 O O . ALA E 45 ? 0.5329 0.4461 1.8446 0.0121 -0.1561 0.3102 45 ALA E O 6523 C CB . ALA E 45 ? 0.6144 0.4282 2.0935 0.0553 -0.1899 0.1948 45 ALA E CB 6524 N N . THR E 46 ? 0.5599 0.4786 1.9691 0.0337 -0.1593 0.3710 46 THR E N 6525 C CA . THR E 46 ? 0.5511 0.5083 1.9605 0.0177 -0.1517 0.4544 46 THR E CA 6526 C C . THR E 46 ? 0.5290 0.5426 1.8613 0.0235 -0.1387 0.4899 46 THR E C 6527 O O . THR E 46 ? 0.5249 0.5425 1.8404 0.0404 -0.1385 0.4640 46 THR E O 6528 C CB . THR E 46 ? 0.5908 0.5256 2.1364 0.0156 -0.1642 0.5154 46 THR E CB 6529 O OG1 . THR E 46 ? 0.6130 0.5301 2.2222 0.0375 -0.1732 0.5149 46 THR E OG1 6530 C CG2 . THR E 46 ? 0.6169 0.4988 2.2479 0.0047 -0.1796 0.4873 46 THR E CG2 6531 N N . ILE E 47 ? 0.5163 0.5773 1.8038 0.0100 -0.1282 0.5471 47 ILE E N 6532 C CA . ILE E 47 ? 0.5045 0.6235 1.7268 0.0146 -0.1198 0.5864 47 ILE E CA 6533 C C . ILE E 47 ? 0.5363 0.6610 1.8439 0.0276 -0.1290 0.6417 47 ILE E C 6534 O O . ILE E 47 ? 0.5661 0.6878 1.9565 0.0225 -0.1338 0.7031 47 ILE E O 6535 C CB . ILE E 47 ? 0.4912 0.6630 1.6482 -0.0004 -0.1072 0.6319 47 ILE E CB 6536 C CG1 . ILE E 47 ? 0.4616 0.6278 1.5340 -0.0105 -0.0991 0.5753 47 ILE E CG1 6537 C CG2 . ILE E 47 ? 0.4860 0.7208 1.5829 0.0058 -0.1027 0.6731 47 ILE E CG2 6538 C CD1 . ILE E 47 ? 0.4534 0.6618 1.4818 -0.0241 -0.0869 0.6109 47 ILE E CD1 6539 N N . SER E 48 ? 0.5353 0.6692 1.8280 0.0444 -0.1318 0.6218 48 SER E N 6540 C CA . SER E 48 ? 0.5656 0.7070 1.9382 0.0602 -0.1422 0.6704 48 SER E CA 6541 C C . SER E 48 ? 0.5736 0.7815 1.9172 0.0565 -0.1399 0.7527 48 SER E C 6542 O O . SER E 48 ? 0.5499 0.8068 1.7888 0.0484 -0.1303 0.7528 48 SER E O 6543 C CB . SER E 48 ? 0.5596 0.6962 1.9284 0.0807 -0.1452 0.6210 48 SER E CB 6544 O OG . SER E 48 ? 0.5761 0.6513 2.0170 0.0922 -0.1520 0.5644 48 SER E OG 6545 N N . PHE E 49 ? 0.6124 0.8220 2.0515 0.0637 -0.1501 0.8220 49 PHE E N 6546 C CA . PHE E 49 ? 0.6310 0.9073 2.0534 0.0628 -0.1499 0.9090 49 PHE E CA 6547 C C . PHE E 49 ? 0.6317 0.9476 2.0365 0.0813 -0.1589 0.9196 49 PHE E C 6548 O O . PHE E 49 ? 0.6475 0.9331 2.1341 0.0991 -0.1708 0.9118 49 PHE E O 6549 C CB . PHE E 49 ? 0.6770 0.9398 2.2158 0.0597 -0.1566 0.9900 49 PHE E CB 6550 C CG . PHE E 49 ? 0.6872 0.9007 2.2768 0.0422 -0.1524 0.9763 49 PHE E CG 6551 C CD1 . PHE E 49 ? 0.6756 0.9186 2.1931 0.0228 -0.1364 0.9793 49 PHE E CD1 6552 C CD2 . PHE E 49 ? 0.7201 0.8592 2.4352 0.0460 -0.1662 0.9587 49 PHE E CD2 6553 C CE1 . PHE E 49 ? 0.6813 0.8835 2.2516 0.0061 -0.1340 0.9679 49 PHE E CE1 6554 C CE2 . PHE E 49 ? 0.7301 0.8250 2.4984 0.0284 -0.1660 0.9441 49 PHE E CE2 6555 C CZ . PHE E 49 ? 0.7075 0.8357 2.4038 0.0078 -0.1498 0.9506 49 PHE E CZ 6556 N N . THR E 50 ? 0.6172 1.0022 1.9186 0.0779 -0.1544 0.9340 50 THR E N 6557 C CA . THR E 50 ? 0.6211 1.0555 1.9036 0.0932 -0.1657 0.9512 50 THR E CA 6558 C C . THR E 50 ? 0.6644 1.1500 1.9858 0.0991 -0.1752 1.0522 50 THR E C 6559 O O . THR E 50 ? 0.6874 1.1896 2.0633 0.1168 -0.1907 1.0861 50 THR E O 6560 C CB . THR E 50 ? 0.5885 1.0723 1.7421 0.0869 -0.1606 0.9091 50 THR E CB 6561 O OG1 . THR E 50 ? 0.5946 1.1336 1.6734 0.0752 -0.1540 0.9489 50 THR E OG1 6562 C CG2 . THR E 50 ? 0.5490 0.9862 1.6578 0.0787 -0.1495 0.8183 50 THR E CG2 6563 N N . LYS E 51 ? 0.6790 1.1944 1.9721 0.0852 -0.1651 1.1016 51 LYS E N 6564 C CA . LYS E 51 ? 0.7288 1.2948 2.0610 0.0886 -0.1703 1.2062 51 LYS E CA 6565 C C . LYS E 51 ? 0.7575 1.2736 2.2043 0.0808 -0.1671 1.2530 51 LYS E C 6566 O O . LYS E 51 ? 0.7381 1.1982 2.2013 0.0675 -0.1573 1.2052 51 LYS E O 6567 C CB . LYS E 51 ? 0.7332 1.3855 1.9491 0.0805 -0.1601 1.2367 51 LYS E CB 6568 C CG . LYS E 51 ? 0.7423 1.4710 1.8859 0.0934 -0.1739 1.2498 51 LYS E CG 6569 C CD . LYS E 51 ? 0.6951 1.4199 1.7517 0.0919 -0.1751 1.1558 51 LYS E CD 6570 C CE . LYS E 51 ? 0.7103 1.5127 1.7075 0.1034 -0.1929 1.1710 51 LYS E CE 6571 N NZ . LYS E 51 ? 0.6739 1.4800 1.5849 0.0983 -0.1943 1.0854 51 LYS E NZ 6572 N N . PRO E 52 ? 0.8091 1.3455 2.3410 0.0885 -0.1773 1.3484 52 PRO E N 6573 C CA . PRO E 52 ? 0.8436 1.3398 2.4878 0.0774 -0.1742 1.4041 52 PRO E CA 6574 C C . PRO E 52 ? 0.8529 1.4012 2.4460 0.0575 -0.1531 1.4526 52 PRO E C 6575 O O . PRO E 52 ? 0.8782 1.3982 2.5618 0.0440 -0.1478 1.4982 52 PRO E O 6576 C CB . PRO E 52 ? 0.8978 1.4074 2.6452 0.0937 -0.1929 1.4978 52 PRO E CB 6577 C CG . PRO E 52 ? 0.8847 1.4203 2.5905 0.1158 -0.2081 1.4681 52 PRO E CG 6578 C CD . PRO E 52 ? 0.8403 1.4251 2.3901 0.1089 -0.1957 1.4048 52 PRO E CD 6579 N N . TRP E 53 ? 0.8365 1.4601 2.2910 0.0559 -0.1413 1.4400 53 TRP E N 6580 C CA . TRP E 53 ? 0.8607 1.5593 2.2626 0.0444 -0.1216 1.5035 53 TRP E CA 6581 C C . TRP E 53 ? 0.8211 1.5491 2.0967 0.0337 -0.1015 1.4396 53 TRP E C 6582 O O . TRP E 53 ? 0.8404 1.6262 2.0815 0.0246 -0.0821 1.4851 53 TRP E O 6583 C CB . TRP E 53 ? 0.9106 1.7047 2.2785 0.0584 -0.1282 1.5937 53 TRP E CB 6584 C CG . TRP E 53 ? 0.9034 1.7444 2.1588 0.0729 -0.1393 1.5457 53 TRP E CG 6585 C CD1 . TRP E 53 ? 0.9071 1.7303 2.1847 0.0893 -0.1625 1.5231 53 TRP E CD1 6586 C CD2 . TRP E 53 ? 0.9022 1.8160 2.0119 0.0721 -0.1290 1.5114 53 TRP E CD2 6587 N NE1 . TRP E 53 ? 0.8971 1.7781 2.0545 0.0963 -0.1681 1.4794 53 TRP E NE1 6588 C CE2 . TRP E 53 ? 0.8950 1.8293 1.9478 0.0861 -0.1489 1.4693 53 TRP E CE2 6589 C CE3 . TRP E 53 ? 0.9091 1.8737 1.9357 0.0617 -0.1054 1.5102 53 TRP E CE3 6590 C CZ2 . TRP E 53 ? 0.8898 1.8888 1.8083 0.0885 -0.1485 1.4249 53 TRP E CZ2 6591 C CZ3 . TRP E 53 ? 0.9075 1.9360 1.7975 0.0670 -0.1038 1.4636 53 TRP E CZ3 6592 C CH2 . TRP E 53 ? 0.8975 1.9403 1.7359 0.0795 -0.1265 1.4209 53 TRP E CH2 6593 N N . SER E 54 ? 0.7702 1.4617 1.9810 0.0355 -0.1052 1.3381 54 SER E N 6594 C CA . SER E 54 ? 0.7345 1.4552 1.8211 0.0285 -0.0900 1.2756 54 SER E CA 6595 C C . SER E 54 ? 0.7173 1.4117 1.8148 0.0105 -0.0701 1.2567 54 SER E C 6596 O O . SER E 54 ? 0.6790 1.3632 1.6987 0.0050 -0.0614 1.1831 54 SER E O 6597 C CB . SER E 54 ? 0.6918 1.3801 1.7155 0.0344 -0.1006 1.1794 54 SER E CB 6598 N N A GLN E 55 ? 0.7466 1.4314 1.9458 0.0012 -0.0642 1.3257 55 GLN E N 6599 N N B GLN E 55 ? 0.7466 1.4316 1.9465 0.0014 -0.0644 1.3263 55 GLN E N 6600 C CA A GLN E 55 ? 0.7371 1.4064 1.9618 -0.0168 -0.0463 1.3202 55 GLN E CA 6601 C CA B GLN E 55 ? 0.7390 1.4095 1.9686 -0.0167 -0.0466 1.3255 55 GLN E CA 6602 C C A GLN E 55 ? 0.7526 1.5183 1.8918 -0.0193 -0.0221 1.3593 55 GLN E C 6603 C C B GLN E 55 ? 0.7479 1.5114 1.8773 -0.0186 -0.0228 1.3495 55 GLN E C 6604 O O A GLN E 55 ? 0.7434 1.5120 1.8879 -0.0326 -0.0043 1.3526 55 GLN E O 6605 O O B GLN E 55 ? 0.7298 1.4912 1.8446 -0.0305 -0.0062 1.3226 55 GLN E O 6606 C CB A GLN E 55 ? 0.7655 1.3861 2.1445 -0.0279 -0.0511 1.3783 55 GLN E CB 6607 C CB B GLN E 55 ? 0.7770 1.4210 2.1539 -0.0265 -0.0490 1.4061 55 GLN E CB 6608 C CG A GLN E 55 ? 0.8226 1.5066 2.2573 -0.0267 -0.0468 1.5014 55 GLN E CG 6609 C CG B GLN E 55 ? 0.7614 1.3517 2.2121 -0.0468 -0.0418 1.3834 55 GLN E CG 6610 C CD A GLN E 55 ? 0.8396 1.6112 2.2271 -0.0362 -0.0186 1.5568 55 GLN E CD 6611 C CD B GLN E 55 ? 0.7457 1.2283 2.2986 -0.0485 -0.0640 1.3291 55 GLN E CD 6612 O OE1 A GLN E 55 ? 0.8108 1.5943 2.1256 -0.0426 -0.0028 1.5002 55 GLN E OE1 6613 O OE1 B GLN E 55 ? 0.7283 1.1734 2.2660 -0.0337 -0.0804 1.2786 55 GLN E OE1 6614 N NE2 A GLN E 55 ? 0.8926 1.7295 2.3233 -0.0358 -0.0113 1.6700 55 GLN E NE2 6615 N NE2 B GLN E 55 ? 0.7550 1.1911 2.4157 -0.0662 -0.0650 1.3380 55 GLN E NE2 6616 N N . GLY E 56 ? 0.7790 1.6270 1.8406 -0.0050 -0.0222 1.3978 56 GLY E N 6617 C CA . GLY E 56 ? 0.8010 1.7502 1.7665 -0.0021 -0.0002 1.4266 56 GLY E CA 6618 C C . GLY E 56 ? 0.8543 1.8610 1.8893 -0.0079 0.0157 1.5410 56 GLY E C 6619 O O . GLY E 56 ? 0.8983 1.9417 1.9692 0.0002 0.0068 1.6223 56 GLY E O 6620 N N . LYS E 57 ? 0.8525 1.8695 1.9108 -0.0222 0.0394 1.5504 57 LYS E N 6621 C CA . LYS E 57 ? 0.9014 1.9684 2.0433 -0.0325 0.0578 1.6603 57 LYS E CA 6622 C C . LYS E 57 ? 0.8811 1.9043 2.1035 -0.0546 0.0725 1.6466 57 LYS E C 6623 O O . LYS E 57 ? 0.9053 1.9988 2.1322 -0.0621 0.1002 1.6998 57 LYS E O 6624 C CB . LYS E 57 ? 0.9471 2.1494 1.9907 -0.0199 0.0808 1.7220 57 LYS E CB 6625 N N . LEU E 58 ? 0.8414 1.7539 2.1275 -0.0641 0.0537 1.5746 58 LEU E N 6626 C CA . LEU E 58 ? 0.8248 1.6886 2.1994 -0.0856 0.0608 1.5582 58 LEU E CA 6627 C C . LEU E 58 ? 0.8223 1.5760 2.3405 -0.0976 0.0348 1.5485 58 LEU E C 6628 O O . LEU E 58 ? 0.8217 1.5240 2.3589 -0.0866 0.0109 1.5308 58 LEU E O 6629 C CB . LEU E 58 ? 0.7755 1.6311 2.0586 -0.0859 0.0701 1.4587 58 LEU E CB 6630 C CG . LEU E 58 ? 0.7719 1.6480 2.1009 -0.1035 0.0921 1.4698 58 LEU E CG 6631 C CD1 . LEU E 58 ? 0.8154 1.8066 2.1463 -0.1047 0.1231 1.5746 58 LEU E CD1 6632 C CD2 . LEU E 58 ? 0.7271 1.5932 1.9616 -0.0998 0.0978 1.3693 58 LEU E CD2 6633 N N . SER E 59 ? 0.8218 1.5433 2.4417 -0.1191 0.0393 1.5565 59 SER E N 6634 C CA . SER E 59 ? 0.8362 1.4666 2.6157 -0.1336 0.0165 1.5666 59 SER E CA 6635 C C . SER E 59 ? 0.8070 1.3314 2.6001 -0.1253 -0.0143 1.4690 59 SER E C 6636 O O . SER E 59 ? 0.7632 1.2732 2.4460 -0.1137 -0.0170 1.3783 59 SER E O 6637 C CB . SER E 59 ? 0.8362 1.4582 2.7074 -0.1593 0.0263 1.5773 59 SER E CB 6638 N N . ASN E 60 ? 0.8364 1.2896 2.7707 -0.1308 -0.0371 1.4920 60 ASN E N 6639 C CA . ASN E 60 ? 0.8193 1.1678 2.8004 -0.1252 -0.0662 1.4024 60 ASN E CA 6640 C C . ASN E 60 ? 0.7853 1.0894 2.7714 -0.1397 -0.0689 1.3184 60 ASN E C 6641 O O . ASN E 60 ? 0.7520 1.0010 2.6905 -0.1305 -0.0829 1.2177 60 ASN E O 6642 C CB . ASN E 60 ? 0.8706 1.1597 3.0195 -0.1285 -0.0887 1.4567 60 ASN E CB 6643 C CG . ASN E 60 ? 0.8649 1.0509 3.0645 -0.1172 -0.1191 1.3647 60 ASN E CG 6644 O OD1 . ASN E 60 ? 0.8507 0.9791 3.0730 -0.1257 -0.1298 1.2833 60 ASN E OD1 6645 N ND2 . ASN E 60 ? 0.8826 1.0494 3.1037 -0.0966 -0.1335 1.3788 60 ASN E ND2 6646 N N . GLN E 61 ? 0.7958 1.1301 2.8403 -0.1621 -0.0552 1.3641 61 GLN E N 6647 C CA . GLN E 61 ? 0.7663 1.0761 2.8153 -0.1771 -0.0561 1.2968 61 GLN E CA 6648 C C . GLN E 61 ? 0.7158 1.0652 2.5977 -0.1656 -0.0401 1.2277 61 GLN E C 6649 O O . GLN E 61 ? 0.6818 0.9787 2.5203 -0.1611 -0.0539 1.1297 61 GLN E O 6650 C CB . GLN E 61 ? 0.7925 1.1435 2.9425 -0.2033 -0.0413 1.3757 61 GLN E CB 6651 C CG . GLN E 61 ? 0.7630 1.1100 2.9109 -0.2188 -0.0385 1.3172 61 GLN E CG 6652 C CD . GLN E 61 ? 0.7845 1.2084 2.9901 -0.2404 -0.0123 1.4021 61 GLN E CD 6653 O OE1 . GLN E 61 ? 0.8273 1.2999 3.0954 -0.2471 0.0019 1.5098 61 GLN E OE1 6654 N NE2 . GLN E 61 ? 0.7557 1.1950 2.9423 -0.2506 -0.0053 1.3564 61 GLN E NE2 6655 N N . GLN E 62 ? 0.7153 1.1587 2.5060 -0.1599 -0.0117 1.2801 62 GLN E N 6656 C CA . GLN E 62 ? 0.6760 1.1651 2.3169 -0.1496 0.0052 1.2242 62 GLN E CA 6657 C C . GLN E 62 ? 0.6438 1.0958 2.1769 -0.1295 -0.0082 1.1396 62 GLN E C 6658 O O . GLN E 62 ? 0.6086 1.0638 2.0429 -0.1243 -0.0035 1.0692 62 GLN E O 6659 C CB . GLN E 62 ? 0.6946 1.2960 2.2673 -0.1449 0.0370 1.3003 62 GLN E CB 6660 N N . TRP E 63 ? 0.6584 1.0773 2.2166 -0.1185 -0.0247 1.1493 63 TRP E N 6661 C CA . TRP E 63 ? 0.6306 1.0145 2.1040 -0.1005 -0.0377 1.0735 63 TRP E CA 6662 C C . TRP E 63 ? 0.6110 0.9030 2.1240 -0.1021 -0.0599 0.9845 63 TRP E C 6663 O O . TRP E 63 ? 0.5791 0.8514 2.0021 -0.0928 -0.0634 0.9060 63 TRP E O 6664 C CB . TRP E 63 ? 0.6541 1.0499 2.1328 -0.0854 -0.0455 1.1186 63 TRP E CB 6665 C CG . TRP E 63 ? 0.6312 0.9944 2.0351 -0.0682 -0.0582 1.0432 63 TRP E CG 6666 C CD1 . TRP E 63 ? 0.6065 1.0092 1.8776 -0.0576 -0.0505 1.0058 63 TRP E CD1 6667 C CD2 . TRP E 63 ? 0.6330 0.9198 2.0954 -0.0599 -0.0804 0.9948 63 TRP E CD2 6668 N NE1 . TRP E 63 ? 0.5888 0.9464 1.8354 -0.0454 -0.0654 0.9429 63 TRP E NE1 6669 C CE2 . TRP E 63 ? 0.6070 0.8963 1.9661 -0.0452 -0.0824 0.9342 63 TRP E CE2 6670 C CE3 . TRP E 63 ? 0.6575 0.8753 2.2532 -0.0627 -0.0989 0.9947 63 TRP E CE3 6671 C CZ2 . TRP E 63 ? 0.6047 0.8368 1.9865 -0.0325 -0.0989 0.8773 63 TRP E CZ2 6672 C CZ3 . TRP E 63 ? 0.6543 0.8123 2.2698 -0.0478 -0.1169 0.9322 63 TRP E CZ3 6673 C CH2 . TRP E 63 ? 0.6297 0.7986 2.1370 -0.0326 -0.1151 0.8759 63 TRP E CH2 6674 N N . GLU E 64 ? 0.6352 0.8736 2.2839 -0.1136 -0.0754 0.9975 64 GLU E N 6675 C CA . GLU E 64 ? 0.6268 0.7816 2.3218 -0.1143 -0.0986 0.9126 64 GLU E CA 6676 C C . GLU E 64 ? 0.5934 0.7461 2.2254 -0.1221 -0.0951 0.8451 64 GLU E C 6677 O O . GLU E 64 ? 0.5786 0.6784 2.1907 -0.1166 -0.1108 0.7605 64 GLU E O 6678 C CB . GLU E 64 ? 0.6680 0.7701 2.5307 -0.1266 -0.1178 0.9434 64 GLU E CB 6679 N N . LYS E 65 ? 0.5846 0.7992 2.1868 -0.1332 -0.0740 0.8844 65 LYS E N 6680 C CA . LYS E 65 ? 0.5541 0.7785 2.0902 -0.1381 -0.0682 0.8292 65 LYS E CA 6681 C C . LYS E 65 ? 0.5228 0.7782 1.9054 -0.1220 -0.0558 0.7885 65 LYS E C 6682 O O . LYS E 65 ? 0.4970 0.7316 1.8152 -0.1192 -0.0604 0.7167 65 LYS E O 6683 C CB . LYS E 65 ? 0.5607 0.8415 2.1403 -0.1554 -0.0500 0.8882 65 LYS E CB 6684 N N . LEU E 66 ? 0.5286 0.8342 1.8566 -0.1117 -0.0421 0.8357 66 LEU E N 6685 C CA . LEU E 66 ? 0.5044 0.8385 1.6964 -0.0969 -0.0337 0.7996 66 LEU E CA 6686 C C . LEU E 66 ? 0.4898 0.7636 1.6505 -0.0861 -0.0518 0.7282 66 LEU E C 6687 O O . LEU E 66 ? 0.4661 0.7381 1.5306 -0.0795 -0.0502 0.6712 66 LEU E O 6688 C CB . LEU E 66 ? 0.5211 0.9249 1.6705 -0.0883 -0.0193 0.8663 66 LEU E CB 6689 N N . GLN E 67 ? 0.5101 0.7364 1.7570 -0.0838 -0.0683 0.7327 67 GLN E N 6690 C CA . GLN E 67 ? 0.5027 0.6750 1.7334 -0.0719 -0.0840 0.6657 67 GLN E CA 6691 C C . GLN E 67 ? 0.4927 0.6115 1.7317 -0.0760 -0.0966 0.5897 67 GLN E C 6692 O O . GLN E 67 ? 0.4758 0.5755 1.6421 -0.0670 -0.1001 0.5256 67 GLN E O 6693 C CB . GLN E 67 ? 0.5326 0.6752 1.8563 -0.0641 -0.0974 0.6938 67 GLN E CB 6694 C CG . GLN E 67 ? 0.5326 0.6175 1.8608 -0.0506 -0.1133 0.6207 67 GLN E CG 6695 C CD . GLN E 67 ? 0.5715 0.6242 2.0044 -0.0406 -0.1273 0.6447 67 GLN E CD 6696 O OE1 . GLN E 67 ? 0.5816 0.6561 1.9985 -0.0276 -0.1256 0.6709 67 GLN E OE1 6697 N NE2 . GLN E 67 ? 0.5990 0.5983 2.1443 -0.0459 -0.1437 0.6332 67 GLN E NE2 6698 N N . HIS E 68 ? 0.5086 0.6064 1.8376 -0.0899 -0.1044 0.5983 68 HIS E N 6699 C CA . HIS E 68 ? 0.5076 0.5546 1.8554 -0.0931 -0.1218 0.5256 68 HIS E CA 6700 C C . HIS E 68 ? 0.4754 0.5374 1.7111 -0.0917 -0.1150 0.4743 68 HIS E C 6701 O O . HIS E 68 ? 0.4715 0.4964 1.6787 -0.0860 -0.1281 0.4046 68 HIS E O 6702 C CB . HIS E 68 ? 0.5318 0.5591 2.0014 -0.1107 -0.1336 0.5457 68 HIS E CB 6703 C CG . HIS E 68 ? 0.5420 0.5202 2.0324 -0.1131 -0.1558 0.4680 68 HIS E CG 6704 N ND1 . HIS E 68 ? 0.5346 0.5257 2.0114 -0.1248 -0.1569 0.4485 68 HIS E ND1 6705 C CD2 . HIS E 68 ? 0.5658 0.4872 2.0843 -0.1030 -0.1783 0.4025 68 HIS E CD2 6706 C CE1 . HIS E 68 ? 0.5476 0.4917 2.0435 -0.1230 -0.1812 0.3764 68 HIS E CE1 6707 N NE2 . HIS E 68 ? 0.5711 0.4732 2.0900 -0.1094 -0.1940 0.3457 68 HIS E NE2 6708 N N . MET E 69 ? 0.4579 0.5759 1.6310 -0.0954 -0.0949 0.5092 69 MET E N 6709 C CA . MET E 69 ? 0.4315 0.5640 1.5008 -0.0925 -0.0884 0.4653 69 MET E CA 6710 C C . MET E 69 ? 0.4137 0.5409 1.3852 -0.0783 -0.0865 0.4276 69 MET E C 6711 O O . MET E 69 ? 0.4002 0.5154 1.3015 -0.0748 -0.0890 0.3754 69 MET E O 6712 C CB . MET E 69 ? 0.4243 0.6182 1.4627 -0.0984 -0.0680 0.5078 69 MET E CB 6713 C CG . MET E 69 ? 0.4367 0.6867 1.4344 -0.0926 -0.0492 0.5645 69 MET E CG 6714 S SD . MET E 69 ? 0.4359 0.7456 1.3167 -0.0865 -0.0288 0.5572 69 MET E SD 6715 C CE . MET E 69 ? 0.4050 0.6823 1.1836 -0.0743 -0.0378 0.4912 69 MET E CE 6716 N N . PHE E 70 ? 0.4165 0.5545 1.3887 -0.0707 -0.0829 0.4571 70 PHE E N 6717 C CA . PHE E 70 ? 0.4018 0.5340 1.3004 -0.0585 -0.0830 0.4230 70 PHE E CA 6718 C C . PHE E 70 ? 0.4071 0.4851 1.3285 -0.0518 -0.0984 0.3638 70 PHE E C 6719 O O . PHE E 70 ? 0.3968 0.4655 1.2464 -0.0455 -0.0985 0.3155 70 PHE E O 6720 C CB . PHE E 70 ? 0.4091 0.5712 1.3118 -0.0514 -0.0777 0.4711 70 PHE E CB 6721 C CG . PHE E 70 ? 0.4025 0.6267 1.2415 -0.0525 -0.0626 0.5121 70 PHE E CG 6722 C CD1 . PHE E 70 ? 0.3860 0.6286 1.1237 -0.0502 -0.0563 0.4789 70 PHE E CD1 6723 C CD2 . PHE E 70 ? 0.4227 0.6887 1.3045 -0.0548 -0.0553 0.5839 70 PHE E CD2 6724 C CE1 . PHE E 70 ? 0.3894 0.6897 1.0685 -0.0489 -0.0444 0.5090 70 PHE E CE1 6725 C CE2 . PHE E 70 ? 0.4241 0.7547 1.2413 -0.0531 -0.0413 0.6183 70 PHE E CE2 6726 C CZ . PHE E 70 ? 0.4104 0.7576 1.1256 -0.0494 -0.0366 0.5768 70 PHE E CZ 6727 N N . GLN E 71 ? 0.4285 0.4731 1.4518 -0.0528 -0.1114 0.3679 71 GLN E N 6728 C CA . GLN E 71 ? 0.4439 0.4386 1.4984 -0.0441 -0.1277 0.3074 71 GLN E CA 6729 C C . GLN E 71 ? 0.4363 0.4155 1.4413 -0.0470 -0.1343 0.2486 71 GLN E C 6730 O O . GLN E 71 ? 0.4409 0.4017 1.4011 -0.0363 -0.1390 0.1928 71 GLN E O 6731 C CB . GLN E 71 ? 0.4766 0.4367 1.6607 -0.0462 -0.1433 0.3226 71 GLN E CB 6732 C CG . GLN E 71 ? 0.4952 0.4600 1.7364 -0.0380 -0.1416 0.3711 71 GLN E CG 6733 C CD . GLN E 71 ? 0.5321 0.4646 1.9118 -0.0433 -0.1565 0.4014 71 GLN E CD 6734 O OE1 . GLN E 71 ? 0.5418 0.4759 1.9748 -0.0603 -0.1593 0.4293 71 GLN E OE1 6735 N NE2 . GLN E 71 ? 0.5587 0.4626 2.0044 -0.0288 -0.1665 0.3973 71 GLN E NE2 6736 N N . VAL E 72 ? 0.4276 0.4194 1.4422 -0.0605 -0.1339 0.2648 72 VAL E N 6737 C CA . VAL E 72 ? 0.4165 0.4025 1.3822 -0.0638 -0.1401 0.2195 72 VAL E CA 6738 C C . VAL E 72 ? 0.3918 0.4005 1.2377 -0.0580 -0.1267 0.2039 72 VAL E C 6739 O O . VAL E 72 ? 0.3916 0.3849 1.1823 -0.0524 -0.1331 0.1533 72 VAL E O 6740 C CB . VAL E 72 ? 0.4131 0.4162 1.4264 -0.0795 -0.1407 0.2496 72 VAL E CB 6741 C CG1 . VAL E 72 ? 0.3974 0.4082 1.3445 -0.0811 -0.1430 0.2144 72 VAL E CG1 6742 C CG2 . VAL E 72 ? 0.4424 0.4137 1.5787 -0.0876 -0.1603 0.2495 72 VAL E CG2 6743 N N . TYR E 73 ? 0.3738 0.4199 1.1827 -0.0590 -0.1093 0.2484 73 TYR E N 6744 C CA . TYR E 73 ? 0.3522 0.4204 1.0585 -0.0556 -0.0980 0.2382 73 TYR E CA 6745 C C . TYR E 73 ? 0.3519 0.4034 1.0093 -0.0456 -0.0996 0.2000 73 TYR E C 6746 O O . TYR E 73 ? 0.3464 0.3931 0.9351 -0.0438 -0.0996 0.1661 73 TYR E O 6747 C CB . TYR E 73 ? 0.3428 0.4570 1.0276 -0.0574 -0.0822 0.2909 73 TYR E CB 6748 C CG . TYR E 73 ? 0.3336 0.4659 0.9280 -0.0522 -0.0742 0.2800 73 TYR E CG 6749 C CD1 . TYR E 73 ? 0.3202 0.4583 0.8437 -0.0531 -0.0712 0.2559 73 TYR E CD1 6750 C CD2 . TYR E 73 ? 0.3378 0.4810 0.9250 -0.0465 -0.0717 0.2939 73 TYR E CD2 6751 C CE1 . TYR E 73 ? 0.3136 0.4642 0.7638 -0.0501 -0.0664 0.2454 73 TYR E CE1 6752 C CE2 . TYR E 73 ? 0.3274 0.4878 0.8404 -0.0440 -0.0669 0.2831 73 TYR E CE2 6753 C CZ . TYR E 73 ? 0.3173 0.4797 0.7634 -0.0466 -0.0646 0.2586 73 TYR E CZ 6754 O OH . TYR E 73 ? 0.3119 0.4876 0.6937 -0.0459 -0.0622 0.2476 73 TYR E OH 6755 N N . ARG E 74 ? 0.3597 0.4049 1.0567 -0.0386 -0.1004 0.2086 74 ARG E N 6756 C CA . ARG E 74 ? 0.3592 0.3977 1.0184 -0.0281 -0.0987 0.1777 74 ARG E CA 6757 C C . ARG E 74 ? 0.3707 0.3803 1.0113 -0.0222 -0.1077 0.1185 74 ARG E C 6758 O O . ARG E 74 ? 0.3667 0.3813 0.9378 -0.0184 -0.1024 0.0924 74 ARG E O 6759 C CB . ARG E 74 ? 0.3701 0.4082 1.0911 -0.0195 -0.0992 0.1985 74 ARG E CB 6760 C CG . ARG E 74 ? 0.3693 0.4133 1.0545 -0.0084 -0.0939 0.1754 74 ARG E CG 6761 C CD . ARG E 74 ? 0.3841 0.4317 1.1359 0.0017 -0.0951 0.1996 74 ARG E CD 6762 N NE . ARG E 74 ? 0.4085 0.4194 1.2447 0.0108 -0.1070 0.1776 74 ARG E NE 6763 C CZ . ARG E 74 ? 0.4286 0.4318 1.3304 0.0247 -0.1105 0.1814 74 ARG E CZ 6764 N NH1 . ARG E 74 ? 0.4173 0.4508 1.3089 0.0308 -0.1029 0.2093 74 ARG E NH1 6765 N NH2 . ARG E 74 ? 0.4607 0.4260 1.4425 0.0335 -0.1236 0.1552 74 ARG E NH2 6766 N N . VAL E 75 ? 0.3874 0.3698 1.0916 -0.0218 -0.1222 0.0989 75 VAL E N 6767 C CA . VAL E 75 ? 0.4049 0.3641 1.0942 -0.0149 -0.1344 0.0402 75 VAL E CA 6768 C C . VAL E 75 ? 0.3924 0.3600 1.0062 -0.0212 -0.1345 0.0266 75 VAL E C 6769 O O . VAL E 75 ? 0.3996 0.3658 0.9523 -0.0143 -0.1351 -0.0099 75 VAL E O 6770 C CB . VAL E 75 ? 0.4314 0.3599 1.2146 -0.0148 -0.1546 0.0214 75 VAL E CB 6771 C CG1 . VAL E 75 ? 0.4560 0.3661 1.2173 -0.0058 -0.1701 -0.0443 75 VAL E CG1 6772 C CG2 . VAL E 75 ? 0.4490 0.3640 1.3156 -0.0070 -0.1564 0.0355 75 VAL E CG2 6773 N N . SER E 76 ? 0.3748 0.3544 0.9953 -0.0332 -0.1329 0.0591 76 SER E N 6774 C CA . SER E 76 ? 0.3645 0.3519 0.9266 -0.0380 -0.1341 0.0503 76 SER E CA 6775 C C . SER E 76 ? 0.3487 0.3532 0.8232 -0.0368 -0.1200 0.0560 76 SER E C 6776 O O . SER E 76 ? 0.3534 0.3540 0.7691 -0.0348 -0.1232 0.0311 76 SER E O 6777 C CB . SER E 76 ? 0.3536 0.3545 0.9571 -0.0490 -0.1343 0.0837 76 SER E CB 6778 O OG . SER E 76 ? 0.3714 0.3541 1.0542 -0.0530 -0.1517 0.0713 76 SER E OG 6779 N N . PHE E 77 ? 0.3331 0.3571 0.8033 -0.0383 -0.1064 0.0898 77 PHE E N 6780 C CA . PHE E 77 ? 0.3185 0.3584 0.7174 -0.0386 -0.0953 0.0951 77 PHE E CA 6781 C C . PHE E 77 ? 0.3311 0.3607 0.6878 -0.0322 -0.0952 0.0615 77 PHE E C 6782 O O . PHE E 77 ? 0.3308 0.3623 0.6256 -0.0342 -0.0926 0.0524 77 PHE E O 6783 C CB . PHE E 77 ? 0.3066 0.3711 0.7183 -0.0398 -0.0851 0.1326 77 PHE E CB 6784 C CG . PHE E 77 ? 0.2928 0.3733 0.6419 -0.0409 -0.0773 0.1338 77 PHE E CG 6785 C CD1 . PHE E 77 ? 0.2851 0.3666 0.6264 -0.0365 -0.0739 0.1232 77 PHE E CD1 6786 C CD2 . PHE E 77 ? 0.2838 0.3795 0.5872 -0.0461 -0.0739 0.1437 77 PHE E CD2 6787 C CE1 . PHE E 77 ? 0.2769 0.3741 0.5694 -0.0402 -0.0682 0.1254 77 PHE E CE1 6788 C CE2 . PHE E 77 ? 0.2757 0.3825 0.5291 -0.0487 -0.0701 0.1418 77 PHE E CE2 6789 C CZ . PHE E 77 ? 0.2718 0.3794 0.5219 -0.0472 -0.0677 0.1343 77 PHE E CZ 6790 N N . THR E 78 ? 0.3452 0.3658 0.7392 -0.0237 -0.0974 0.0445 78 THR E N 6791 C CA . THR E 78 ? 0.3604 0.3795 0.7202 -0.0147 -0.0945 0.0119 78 THR E CA 6792 C C . THR E 78 ? 0.3781 0.3871 0.6912 -0.0134 -0.1029 -0.0189 78 THR E C 6793 O O . THR E 78 ? 0.3835 0.4011 0.6351 -0.0135 -0.0964 -0.0250 78 THR E O 6794 C CB . THR E 78 ? 0.3792 0.3902 0.7970 -0.0019 -0.0972 -0.0078 78 THR E CB 6795 O OG1 . THR E 78 ? 0.3619 0.3824 0.8286 -0.0023 -0.0916 0.0262 78 THR E OG1 6796 C CG2 . THR E 78 ? 0.3953 0.4163 0.7744 0.0096 -0.0893 -0.0397 78 THR E CG2 6797 N N . ARG E 79 ? 0.3899 0.3828 0.7359 -0.0129 -0.1186 -0.0352 79 ARG E N 6798 C CA . ARG E 79 ? 0.4101 0.3966 0.7163 -0.0102 -0.1308 -0.0649 79 ARG E CA 6799 C C . ARG E 79 ? 0.3985 0.3905 0.6517 -0.0186 -0.1286 -0.0453 79 ARG E C 6800 O O . ARG E 79 ? 0.4135 0.4071 0.6097 -0.0158 -0.1312 -0.0590 79 ARG E O 6801 C CB . ARG E 79 ? 0.4251 0.3953 0.7886 -0.0088 -0.1516 -0.0875 79 ARG E CB 6802 C CG . ARG E 79 ? 0.4537 0.4211 0.7794 -0.0009 -0.1680 -0.1295 79 ARG E CG 6803 C CD . ARG E 79 ? 0.4688 0.4219 0.8546 -0.0025 -0.1925 -0.1513 79 ARG E CD 6804 N NE . ARG E 79 ? 0.4467 0.4023 0.8450 -0.0147 -0.1972 -0.1236 79 ARG E NE 6805 C CZ . ARG E 79 ? 0.4511 0.4013 0.8941 -0.0188 -0.2188 -0.1370 79 ARG E CZ 6806 N NH1 . ARG E 79 ? 0.4803 0.4188 0.9594 -0.0125 -0.2409 -0.1807 79 ARG E NH1 6807 N NH2 . ARG E 79 ? 0.4260 0.3852 0.8805 -0.0284 -0.2189 -0.1092 79 ARG E NH2 6808 N N . ASP E 80 ? 0.3777 0.3747 0.6508 -0.0275 -0.1237 -0.0126 80 ASP E N 6809 C CA . ASP E 80 ? 0.3723 0.3741 0.6029 -0.0331 -0.1219 0.0026 80 ASP E CA 6810 C C . ASP E 80 ? 0.3714 0.3782 0.5403 -0.0344 -0.1112 0.0080 80 ASP E C 6811 O O . ASP E 80 ? 0.3816 0.3832 0.5051 -0.0349 -0.1151 0.0041 80 ASP E O 6812 C CB . ASP E 80 ? 0.3526 0.3663 0.6176 -0.0396 -0.1168 0.0336 80 ASP E CB 6813 C CG . ASP E 80 ? 0.3674 0.3789 0.6827 -0.0411 -0.1289 0.0314 80 ASP E CG 6814 O OD1 . ASP E 80 ? 0.3995 0.3972 0.7377 -0.0379 -0.1438 0.0043 80 ASP E OD1 6815 O OD2 . ASP E 80 ? 0.3639 0.3913 0.6976 -0.0452 -0.1238 0.0554 80 ASP E OD2 6816 N N . ILE E 81 ? 0.3629 0.3800 0.5363 -0.0354 -0.0991 0.0187 81 ILE E N 6817 C CA . ILE E 81 ? 0.3641 0.3885 0.4906 -0.0387 -0.0895 0.0241 81 ILE E CA 6818 C C . ILE E 81 ? 0.3919 0.4133 0.4806 -0.0331 -0.0909 0.0021 81 ILE E C 6819 O O . ILE E 81 ? 0.4044 0.4236 0.4473 -0.0370 -0.0904 0.0068 81 ILE E O 6820 C CB . ILE E 81 ? 0.3510 0.3924 0.4983 -0.0400 -0.0780 0.0387 81 ILE E CB 6821 C CG1 . ILE E 81 ? 0.3266 0.3788 0.4973 -0.0453 -0.0767 0.0653 81 ILE E CG1 6822 C CG2 . ILE E 81 ? 0.3558 0.4074 0.4637 -0.0445 -0.0689 0.0414 81 ILE E CG2 6823 C CD1 . ILE E 81 ? 0.3123 0.3669 0.4449 -0.0526 -0.0772 0.0755 81 ILE E CD1 6824 N N . GLN E 82 ? 0.4069 0.4294 0.5165 -0.0230 -0.0933 -0.0217 82 GLN E N 6825 C CA . GLN E 82 ? 0.4393 0.4682 0.5105 -0.0143 -0.0937 -0.0459 82 GLN E CA 6826 C C . GLN E 82 ? 0.4564 0.4766 0.4874 -0.0139 -0.1073 -0.0524 82 GLN E C 6827 O O . GLN E 82 ? 0.4842 0.5143 0.4651 -0.0108 -0.1047 -0.0556 82 GLN E O 6828 C CB . GLN E 82 ? 0.4584 0.4899 0.5650 -0.0006 -0.0969 -0.0781 82 GLN E CB 6829 C CG . GLN E 82 ? 0.4619 0.5079 0.5975 0.0036 -0.0814 -0.0745 82 GLN E CG 6830 C CD . GLN E 82 ? 0.4980 0.5404 0.6835 0.0190 -0.0869 -0.1080 82 GLN E CD 6831 O OE1 . GLN E 82 ? 0.5207 0.5455 0.7316 0.0233 -0.1046 -0.1317 82 GLN E OE1 6832 N NE2 . GLN E 82 ? 0.5060 0.5650 0.7119 0.0277 -0.0731 -0.1115 82 GLN E NE2 6833 N N . GLU E 83 ? 0.4429 0.4486 0.4984 -0.0167 -0.1214 -0.0511 83 GLU E N 6834 C CA . GLU E 83 ? 0.4567 0.4554 0.4817 -0.0157 -0.1362 -0.0543 83 GLU E CA 6835 C C . GLU E 83 ? 0.4516 0.4458 0.4403 -0.0237 -0.1307 -0.0267 83 GLU E C 6836 O O . GLU E 83 ? 0.4758 0.4677 0.4226 -0.0216 -0.1376 -0.0244 83 GLU E O 6837 C CB . GLU E 83 ? 0.4454 0.4348 0.5174 -0.0158 -0.1529 -0.0620 83 GLU E CB 6838 C CG . GLU E 83 ? 0.4594 0.4480 0.5667 -0.0077 -0.1674 -0.0964 83 GLU E CG 6839 C CD . GLU E 83 ? 0.4881 0.4860 0.5459 0.0037 -0.1772 -0.1258 83 GLU E CD 6840 O OE1 . GLU E 83 ? 0.5114 0.5162 0.5752 0.0129 -0.1756 -0.1533 83 GLU E OE1 6841 O OE2 . GLU E 83 ? 0.4922 0.4929 0.5050 0.0053 -0.1865 -0.1215 83 GLU E OE2 6842 N N . LEU E 84 ? 0.4252 0.4185 0.4318 -0.0321 -0.1200 -0.0062 84 LEU E N 6843 C CA . LEU E 84 ? 0.4240 0.4107 0.4035 -0.0397 -0.1161 0.0146 84 LEU E CA 6844 C C . LEU E 84 ? 0.4454 0.4369 0.3853 -0.0437 -0.1071 0.0233 84 LEU E C 6845 O O . LEU E 84 ? 0.4610 0.4418 0.3744 -0.0485 -0.1098 0.0374 84 LEU E O 6846 C CB . LEU E 84 ? 0.3955 0.3863 0.4022 -0.0461 -0.1084 0.0292 84 LEU E CB 6847 C CG . LEU E 84 ? 0.3785 0.3706 0.4210 -0.0435 -0.1141 0.0302 84 LEU E CG 6848 C CD1 . LEU E 84 ? 0.3512 0.3585 0.4182 -0.0477 -0.1039 0.0459 84 LEU E CD1 6849 C CD2 . LEU E 84 ? 0.3827 0.3638 0.4103 -0.0407 -0.1242 0.0303 84 LEU E CD2 6850 N N . VAL E 85 ? 0.4505 0.4593 0.3919 -0.0413 -0.0961 0.0163 85 VAL E N 6851 C CA . VAL E 85 ? 0.4743 0.4969 0.3809 -0.0440 -0.0850 0.0256 85 VAL E CA 6852 C C . VAL E 85 ? 0.5132 0.5365 0.3778 -0.0367 -0.0939 0.0207 85 VAL E C 6853 O O . VAL E 85 ? 0.5355 0.5582 0.3678 -0.0424 -0.0918 0.0419 85 VAL E O 6854 C CB . VAL E 85 ? 0.4734 0.5214 0.3946 -0.0395 -0.0696 0.0161 85 VAL E CB 6855 C CG1 . VAL E 85 ? 0.4922 0.5623 0.3812 -0.0435 -0.0548 0.0305 85 VAL E CG1 6856 C CG2 . VAL E 85 ? 0.4422 0.4921 0.4072 -0.0452 -0.0639 0.0237 85 VAL E CG2 6857 N N . LYS E 86 ? 0.5263 0.5515 0.3946 -0.0243 -0.1057 -0.0057 86 LYS E N 6858 C CA . LYS E 86 ? 0.5679 0.5977 0.3962 -0.0153 -0.1191 -0.0136 86 LYS E CA 6859 C C . LYS E 86 ? 0.5740 0.5819 0.3903 -0.0204 -0.1323 0.0078 86 LYS E C 6860 O O . LYS E 86 ? 0.6099 0.6216 0.3859 -0.0169 -0.1397 0.0193 86 LYS E O 6861 C CB . LYS E 86 ? 0.5741 0.6069 0.4209 -0.0025 -0.1350 -0.0508 86 LYS E CB 6862 C CG . LYS E 86 ? 0.5804 0.6334 0.4380 0.0072 -0.1256 -0.0793 86 LYS E CG 6863 C CD . LYS E 86 ? 0.5857 0.6335 0.4761 0.0177 -0.1456 -0.1186 86 LYS E CD 6864 C CE . LYS E 86 ? 0.5985 0.6623 0.5064 0.0301 -0.1382 -0.1526 86 LYS E CE 6865 N NZ . LYS E 86 ? 0.6118 0.6673 0.5564 0.0399 -0.1615 -0.1952 86 LYS E NZ 6866 N N . MET E 87 ? 0.5440 0.5320 0.3963 -0.0270 -0.1350 0.0139 87 MET E N 6867 C CA . MET E 87 ? 0.5500 0.5171 0.4012 -0.0288 -0.1474 0.0282 87 MET E CA 6868 C C . MET E 87 ? 0.5624 0.5174 0.3956 -0.0391 -0.1400 0.0565 87 MET E C 6869 O O . MET E 87 ? 0.5819 0.5199 0.4024 -0.0381 -0.1513 0.0709 87 MET E O 6870 C CB . MET E 87 ? 0.5141 0.4724 0.4113 -0.0296 -0.1507 0.0212 87 MET E CB 6871 C CG . MET E 87 ? 0.5281 0.4729 0.4320 -0.0245 -0.1667 0.0239 87 MET E CG 6872 S SD . MET E 87 ? 0.5109 0.4564 0.4667 -0.0250 -0.1645 0.0207 87 MET E SD 6873 C CE . MET E 87 ? 0.5407 0.4799 0.5035 -0.0141 -0.1859 0.0176 87 MET E CE 6874 N N . MET E 88 ? 0.5561 0.5193 0.3946 -0.0489 -0.1229 0.0646 88 MET E N 6875 C CA . MET E 88 ? 0.5708 0.5223 0.4042 -0.0618 -0.1173 0.0896 88 MET E CA 6876 C C . MET E 88 ? 0.6106 0.5785 0.4137 -0.0669 -0.1070 0.1103 88 MET E C 6877 O O . MET E 88 ? 0.6335 0.5880 0.4323 -0.0778 -0.1070 0.1366 88 MET E O 6878 C CB . MET E 88 ? 0.5378 0.4902 0.4020 -0.0714 -0.1082 0.0880 88 MET E CB 6879 C CG . MET E 88 ? 0.5152 0.4560 0.4050 -0.0671 -0.1164 0.0753 88 MET E CG 6880 S SD . MET E 88 ? 0.5506 0.4607 0.4353 -0.0622 -0.1340 0.0796 88 MET E SD 6881 C CE . MET E 88 ? 0.5295 0.4480 0.4336 -0.0479 -0.1421 0.0597 88 MET E CE 6882 N N . SER E 89 ? 0.6254 0.6235 0.4110 -0.0587 -0.0980 0.0984 89 SER E N 6883 C CA . SER E 89 ? 0.6680 0.6935 0.4193 -0.0598 -0.0855 0.1174 89 SER E CA 6884 C C . SER E 89 ? 0.7115 0.7249 0.4320 -0.0598 -0.0975 0.1447 89 SER E C 6885 O O . SER E 89 ? 0.7173 0.7122 0.4329 -0.0505 -0.1173 0.1360 89 SER E O 6886 C CB . SER E 89 ? 0.6811 0.7420 0.4132 -0.0442 -0.0784 0.0905 89 SER E CB 6887 O OG . SER E 89 ? 0.6601 0.7392 0.4203 -0.0459 -0.0613 0.0778 89 SER E OG 6888 N N . PRO E 90 ? 0.7465 0.7718 0.4516 -0.0706 -0.0859 0.1812 90 PRO E N 6889 C CA . PRO E 90 ? 0.7470 0.8008 0.4623 -0.0823 -0.0617 0.1949 90 PRO E CA 6890 C C . PRO E 90 ? 0.7261 0.7544 0.4864 -0.1030 -0.0605 0.2097 90 PRO E C 6891 O O . PRO E 90 ? 0.7283 0.7795 0.5045 -0.1159 -0.0430 0.2260 90 PRO E O 6892 C CB . PRO E 90 ? 0.8026 0.8856 0.4786 -0.0834 -0.0523 0.2324 90 PRO E CB 6893 C CG . PRO E 90 ? 0.8302 0.8780 0.4939 -0.0821 -0.0754 0.2534 90 PRO E CG 6894 C CD . PRO E 90 ? 0.7913 0.8043 0.4726 -0.0720 -0.0971 0.2168 90 PRO E CD 6895 N N . LYS E 91 ? 0.7108 0.6962 0.4926 -0.1049 -0.0793 0.2016 91 LYS E N 6896 C CA . LYS E 91 ? 0.6994 0.6586 0.5207 -0.1221 -0.0832 0.2092 91 LYS E CA 6897 C C . LYS E 91 ? 0.6629 0.6424 0.5121 -0.1280 -0.0713 0.1918 91 LYS E C 6898 O O . LYS E 91 ? 0.6644 0.6456 0.5410 -0.1454 -0.0669 0.2056 91 LYS E O 6899 C CB . LYS E 91 ? 0.6929 0.6085 0.5273 -0.1170 -0.1051 0.1960 91 LYS E CB 6900 N N . GLU E 92 ? 0.6342 0.6290 0.4811 -0.1138 -0.0684 0.1629 92 GLU E N 6901 C CA . GLU E 92 ? 0.6015 0.6176 0.4758 -0.1158 -0.0584 0.1485 92 GLU E CA 6902 C C . GLU E 92 ? 0.5965 0.6466 0.4605 -0.1013 -0.0451 0.1325 92 GLU E C 6903 O O . GLU E 92 ? 0.6099 0.6584 0.4505 -0.0865 -0.0506 0.1178 92 GLU E O 6904 C CB . GLU E 92 ? 0.5722 0.5680 0.4682 -0.1128 -0.0709 0.1288 92 GLU E CB 6905 C CG . GLU E 92 ? 0.5890 0.5563 0.4996 -0.1250 -0.0837 0.1355 92 GLU E CG 6906 C CD . GLU E 92 ? 0.6061 0.5862 0.5420 -0.1432 -0.0785 0.1474 92 GLU E CD 6907 O OE1 . GLU E 92 ? 0.5813 0.5862 0.5361 -0.1436 -0.0726 0.1385 92 GLU E OE1 6908 O OE2 . GLU E 92 ? 0.6363 0.6017 0.5780 -0.1576 -0.0821 0.1675 92 GLU E OE2 6909 N N . ASP E 93 ? 0.5793 0.6606 0.4646 -0.1045 -0.0294 0.1329 93 ASP E N 6910 C CA . ASP E 93 ? 0.5770 0.6929 0.4581 -0.0893 -0.0150 0.1158 93 ASP E CA 6911 C C . ASP E 93 ? 0.5442 0.6828 0.4670 -0.0890 -0.0052 0.1079 93 ASP E C 6912 O O . ASP E 93 ? 0.5222 0.6564 0.4732 -0.1026 -0.0087 0.1192 93 ASP E O 6913 C CB . ASP E 93 ? 0.6204 0.7686 0.4700 -0.0888 0.0011 0.1329 93 ASP E CB 6914 C CG . ASP E 93 ? 0.6471 0.8245 0.4728 -0.0661 0.0095 0.1058 93 ASP E CG 6915 O OD1 . ASP E 93 ? 0.6554 0.8135 0.4680 -0.0527 -0.0057 0.0806 93 ASP E OD1 6916 O OD2 . ASP E 93 ? 0.6658 0.8881 0.4883 -0.0612 0.0309 0.1079 93 ASP E OD2 6917 N N . TYR E 94 ? 0.5406 0.7042 0.4684 -0.0719 0.0049 0.0865 94 TYR E N 6918 C CA . TYR E 94 ? 0.5132 0.7021 0.4837 -0.0670 0.0150 0.0789 94 TYR E CA 6919 C C . TYR E 94 ? 0.5160 0.7419 0.5011 -0.0794 0.0324 0.1023 94 TYR E C 6920 O O . TYR E 94 ? 0.5423 0.7814 0.5012 -0.0880 0.0415 0.1219 94 TYR E O 6921 C CB . TYR E 94 ? 0.5243 0.7286 0.4981 -0.0432 0.0210 0.0467 94 TYR E CB 6922 C CG . TYR E 94 ? 0.5193 0.6899 0.4890 -0.0325 0.0025 0.0228 94 TYR E CG 6923 C CD1 . TYR E 94 ? 0.5435 0.7104 0.4719 -0.0224 -0.0030 0.0061 94 TYR E CD1 6924 C CD2 . TYR E 94 ? 0.4878 0.6349 0.4971 -0.0328 -0.0100 0.0192 94 TYR E CD2 6925 C CE1 . TYR E 94 ? 0.5370 0.6757 0.4694 -0.0142 -0.0221 -0.0164 94 TYR E CE1 6926 C CE2 . TYR E 94 ? 0.4806 0.6005 0.4950 -0.0253 -0.0261 0.0010 94 TYR E CE2 6927 C CZ . TYR E 94 ? 0.5069 0.6218 0.4857 -0.0166 -0.0328 -0.0181 94 TYR E CZ 6928 O OH . TYR E 94 ? 0.5059 0.5962 0.4977 -0.0107 -0.0507 -0.0366 94 TYR E OH 6929 N N . PRO E 95 ? 0.4891 0.7350 0.5202 -0.0807 0.0365 0.1037 95 PRO E N 6930 C CA . PRO E 95 ? 0.4570 0.6936 0.5253 -0.0714 0.0268 0.0898 95 PRO E CA 6931 C C . PRO E 95 ? 0.4318 0.6338 0.5026 -0.0829 0.0063 0.0976 95 PRO E C 6932 O O . PRO E 95 ? 0.4345 0.6277 0.4955 -0.1010 0.0002 0.1143 95 PRO E O 6933 C CB . PRO E 95 ? 0.4482 0.7267 0.5609 -0.0725 0.0389 0.0990 95 PRO E CB 6934 C CG . PRO E 95 ? 0.4620 0.7601 0.5664 -0.0928 0.0474 0.1240 95 PRO E CG 6935 C CD . PRO E 95 ? 0.4951 0.7830 0.5484 -0.0920 0.0532 0.1247 95 PRO E CD 6936 N N . ILE E 96 ? 0.4128 0.5974 0.4998 -0.0720 -0.0038 0.0853 96 ILE E N 6937 C CA . ILE E 96 ? 0.3915 0.5510 0.4784 -0.0790 -0.0204 0.0916 96 ILE E CA 6938 C C . ILE E 96 ? 0.3678 0.5399 0.4967 -0.0739 -0.0250 0.0972 96 ILE E C 6939 O O . ILE E 96 ? 0.3632 0.5417 0.5224 -0.0592 -0.0211 0.0888 96 ILE E O 6940 C CB . ILE E 96 ? 0.3965 0.5230 0.4584 -0.0726 -0.0297 0.0788 96 ILE E CB 6941 C CG1 . ILE E 96 ? 0.4181 0.5288 0.4378 -0.0818 -0.0317 0.0833 96 ILE E CG1 6942 C CG2 . ILE E 96 ? 0.3753 0.4869 0.4502 -0.0732 -0.0423 0.0828 96 ILE E CG2 6943 C CD1 . ILE E 96 ? 0.4321 0.5159 0.4279 -0.0742 -0.0416 0.0709 96 ILE E CD1 6944 N N . GLU E 97 ? 0.3558 0.5324 0.4877 -0.0851 -0.0345 0.1111 97 GLU E N 6945 C CA . GLU E 97 ? 0.3414 0.5351 0.5062 -0.0807 -0.0409 0.1223 97 GLU E CA 6946 C C . GLU E 97 ? 0.3340 0.5133 0.4823 -0.0832 -0.0532 0.1265 97 GLU E C 6947 O O . GLU E 97 ? 0.3428 0.5183 0.4664 -0.0945 -0.0608 0.1265 97 GLU E O 6948 C CB . GLU E 97 ? 0.3399 0.5681 0.5252 -0.0895 -0.0419 0.1350 97 GLU E CB 6949 C CG . GLU E 97 ? 0.3534 0.6058 0.5577 -0.0886 -0.0272 0.1335 97 GLU E CG 6950 C CD . GLU E 97 ? 0.3645 0.6269 0.6037 -0.0683 -0.0173 0.1263 97 GLU E CD 6951 O OE1 . GLU E 97 ? 0.3869 0.6632 0.6297 -0.0622 -0.0020 0.1161 97 GLU E OE1 6952 O OE2 . GLU E 97 ? 0.3612 0.6191 0.6263 -0.0578 -0.0245 0.1310 97 GLU E OE2 6953 N N . ILE E 98 ? 0.3231 0.4956 0.4888 -0.0724 -0.0548 0.1294 98 ILE E N 6954 C CA . ILE E 98 ? 0.3160 0.4863 0.4714 -0.0728 -0.0629 0.1375 98 ILE E CA 6955 C C . ILE E 98 ? 0.3093 0.5106 0.4949 -0.0681 -0.0662 0.1607 98 ILE E C 6956 O O . ILE E 98 ? 0.3054 0.5148 0.5325 -0.0596 -0.0628 0.1703 98 ILE E O 6957 C CB . ILE E 98 ? 0.3161 0.4601 0.4701 -0.0664 -0.0628 0.1295 98 ILE E CB 6958 C CG1 . ILE E 98 ? 0.3215 0.4388 0.4369 -0.0711 -0.0638 0.1110 98 ILE E CG1 6959 C CG2 . ILE E 98 ? 0.3093 0.4633 0.4668 -0.0642 -0.0669 0.1442 98 ILE E CG2 6960 C CD1 . ILE E 98 ? 0.3294 0.4293 0.4483 -0.0645 -0.0601 0.0953 98 ILE E CD1 6961 N N . GLN E 99 ? 0.3131 0.5335 0.4782 -0.0722 -0.0738 0.1690 99 GLN E N 6962 C CA . GLN E 99 ? 0.3159 0.5727 0.5004 -0.0669 -0.0782 0.1949 99 GLN E CA 6963 C C . GLN E 99 ? 0.3206 0.5853 0.4872 -0.0632 -0.0793 0.2038 99 GLN E C 6964 O O . GLN E 99 ? 0.3276 0.5846 0.4556 -0.0670 -0.0822 0.1865 99 GLN E O 6965 C CB . GLN E 99 ? 0.3218 0.6111 0.4980 -0.0735 -0.0877 0.1974 99 GLN E CB 6966 C CG . GLN E 99 ? 0.3217 0.6157 0.5253 -0.0765 -0.0850 0.1947 99 GLN E CG 6967 C CD . GLN E 99 ? 0.3424 0.6681 0.5410 -0.0862 -0.0968 0.1944 99 GLN E CD 6968 O OE1 . GLN E 99 ? 0.3531 0.6684 0.5377 -0.0989 -0.0984 0.1772 99 GLN E OE1 6969 N NE2 . GLN E 99 ? 0.3532 0.7195 0.5661 -0.0809 -0.1066 0.2154 99 GLN E NE2 6970 N N . LEU E 100 ? 0.3202 0.6020 0.5195 -0.0552 -0.0763 0.2323 100 LEU E N 6971 C CA . LEU E 100 ? 0.3272 0.6249 0.5167 -0.0511 -0.0734 0.2472 100 LEU E CA 6972 C C . LEU E 100 ? 0.3391 0.6877 0.5400 -0.0452 -0.0758 0.2851 100 LEU E C 6973 O O . LEU E 100 ? 0.3376 0.6958 0.5823 -0.0414 -0.0770 0.3107 100 LEU E O 6974 C CB . LEU E 100 ? 0.3195 0.5882 0.5429 -0.0486 -0.0662 0.2501 100 LEU E CB 6975 C CG . LEU E 100 ? 0.3249 0.6005 0.5352 -0.0468 -0.0611 0.2538 100 LEU E CG 6976 C CD1 . LEU E 100 ? 0.3132 0.5474 0.5410 -0.0483 -0.0593 0.2347 100 LEU E CD1 6977 C CD2 . LEU E 100 ? 0.3420 0.6593 0.5812 -0.0417 -0.0559 0.2981 100 LEU E CD2 6978 N N . SER E 101 ? 0.3552 0.7384 0.5160 -0.0426 -0.0769 0.2880 101 SER E N 6979 C CA . SER E 101 ? 0.3745 0.8161 0.5330 -0.0355 -0.0791 0.3248 101 SER E CA 6980 C C . SER E 101 ? 0.3896 0.8599 0.5337 -0.0291 -0.0683 0.3421 101 SER E C 6981 O O . SER E 101 ? 0.4001 0.8790 0.4968 -0.0271 -0.0675 0.3151 101 SER E O 6982 C CB . SER E 101 ? 0.3898 0.8634 0.5060 -0.0367 -0.0936 0.3082 101 SER E CB 6983 O OG . SER E 101 ? 0.4132 0.9500 0.5193 -0.0282 -0.0979 0.3425 101 SER E OG 6984 N N . ALA E 102 ? 0.3934 0.8789 0.5843 -0.0256 -0.0597 0.3877 102 ALA E N 6985 C CA . ALA E 102 ? 0.4096 0.9304 0.5985 -0.0203 -0.0462 0.4141 102 ALA E CA 6986 C C . ALA E 102 ? 0.4380 1.0235 0.6386 -0.0131 -0.0439 0.4724 102 ALA E C 6987 O O . ALA E 102 ? 0.4376 1.0228 0.6809 -0.0132 -0.0507 0.5035 102 ALA E O 6988 C CB . ALA E 102 ? 0.3906 0.8705 0.6333 -0.0253 -0.0368 0.4192 102 ALA E CB 6989 N N . GLY E 103 ? 0.4661 1.1103 0.6292 -0.0051 -0.0339 0.4881 103 GLY E N 6990 C CA . GLY E 103 ? 0.5018 1.2183 0.6688 0.0030 -0.0293 0.5494 103 GLY E CA 6991 C C . GLY E 103 ? 0.5378 1.3268 0.6427 0.0147 -0.0180 0.5517 103 GLY E C 6992 O O . GLY E 103 ? 0.5345 1.3137 0.6098 0.0166 -0.0097 0.5115 103 GLY E O 6993 N N . CYS E 104 ? 0.5765 1.4419 0.6619 0.0245 -0.0177 0.5991 104 CYS E N 6994 C CA . CYS E 104 ? 0.6199 1.5690 0.6400 0.0392 -0.0061 0.6035 104 CYS E CA 6995 C C . CYS E 104 ? 0.6642 1.6883 0.6331 0.0510 -0.0202 0.6234 104 CYS E C 6996 O O . CYS E 104 ? 0.6641 1.6874 0.6649 0.0479 -0.0344 0.6592 104 CYS E O 6997 C CB . CYS E 104 ? 0.6315 1.6201 0.6879 0.0412 0.0215 0.6592 104 CYS E CB 6998 S SG . CYS E 104 ? 0.6283 1.6070 0.7911 0.0304 0.0269 0.7508 104 CYS E SG 6999 N N . GLU E 105 ? 0.7058 1.7963 0.5963 0.0661 -0.0175 0.5970 105 GLU E N 7000 C CA . GLU E 105 ? 0.7580 1.9334 0.5881 0.0802 -0.0316 0.6106 105 GLU E CA 7001 C C . GLU E 105 ? 0.8115 2.0868 0.5837 0.0999 -0.0105 0.6288 105 GLU E C 7002 O O . GLU E 105 ? 0.8089 2.0813 0.5687 0.1044 0.0094 0.5994 105 GLU E O 7003 C CB . GLU E 105 ? 0.7610 1.9137 0.5414 0.0799 -0.0610 0.5347 105 GLU E CB 7004 N N . MET E 106 ? 0.8632 2.2312 0.5998 0.1130 -0.0147 0.6777 106 MET E N 7005 C CA . MET E 106 ? 0.9238 2.4021 0.6006 0.1341 0.0071 0.7028 106 MET E CA 7006 C C . MET E 106 ? 0.9886 2.5588 0.5764 0.1535 -0.0140 0.6892 106 MET E C 7007 O O . MET E 106 ? 1.0476 2.7209 0.5714 0.1747 0.0016 0.7029 106 MET E O 7008 C CB . MET E 106 ? 0.9330 2.4539 0.6681 0.1317 0.0356 0.8058 106 MET E CB 7009 C CG . MET E 106 ? 0.9594 2.5198 0.7218 0.1310 0.0228 0.8897 106 MET E CG 7010 S SD . MET E 106 ? 0.9063 2.3550 0.7484 0.1103 -0.0091 0.8852 106 MET E SD 7011 C CE . MET E 106 ? 0.8344 2.1745 0.7772 0.0889 0.0115 0.8832 106 MET E CE 7012 N N . ALA E 111 ? 1.0779 2.9359 0.6217 0.2089 0.1569 0.7869 111 ALA E N 7013 C CA . ALA E 111 ? 1.0232 2.7691 0.5832 0.1998 0.1424 0.6940 111 ALA E CA 7014 C C . ALA E 111 ? 0.9594 2.5834 0.5856 0.1719 0.1126 0.6911 111 ALA E C 7015 O O . ALA E 111 ? 0.9670 2.5927 0.5877 0.1672 0.0882 0.7166 111 ALA E O 7016 C CB . ALA E 111 ? 1.0622 2.8304 0.5256 0.2225 0.1243 0.5942 111 ALA E CB 7017 N N . SER E 112 ? 0.8997 2.4236 0.5881 0.1551 0.1150 0.6600 112 SER E N 7018 C CA . SER E 112 ? 0.8400 2.2464 0.5864 0.1310 0.0891 0.6439 112 SER E CA 7019 C C . SER E 112 ? 0.8071 2.1277 0.5400 0.1278 0.0746 0.5487 112 SER E C 7020 O O . SER E 112 ? 0.8221 2.1605 0.5231 0.1418 0.0879 0.5019 112 SER E O 7021 C CB . SER E 112 ? 0.7979 2.1580 0.6487 0.1101 0.1035 0.7109 112 SER E CB 7022 O OG . SER E 112 ? 0.8113 2.1915 0.6975 0.1033 0.0962 0.7871 112 SER E OG 7023 N N . GLU E 113 ? 0.7667 1.9973 0.5270 0.1105 0.0477 0.5229 113 GLU E N 7024 C CA . GLU E 113 ? 0.7312 1.8705 0.4938 0.1028 0.0336 0.4459 113 GLU E CA 7025 C C . GLU E 113 ? 0.6752 1.7198 0.5099 0.0788 0.0217 0.4600 113 GLU E C 7026 O O . GLU E 113 ? 0.6717 1.7073 0.5198 0.0710 0.0043 0.4836 113 GLU E O 7027 C CB . GLU E 113 ? 0.7613 1.9055 0.4526 0.1122 0.0071 0.3761 113 GLU E CB 7028 N N . SER E 114 ? 0.6349 1.6140 0.5162 0.0691 0.0307 0.4445 114 SER E N 7029 C CA . SER E 114 ? 0.5857 1.4803 0.5361 0.0488 0.0224 0.4561 114 SER E CA 7030 C C . SER E 114 ? 0.5570 1.3679 0.4975 0.0409 0.0046 0.3867 114 SER E C 7031 O O . SER E 114 ? 0.5694 1.3776 0.4670 0.0497 0.0031 0.3338 114 SER E O 7032 C CB . SER E 114 ? 0.5667 1.4528 0.5862 0.0420 0.0439 0.4981 114 SER E CB 7033 O OG . SER E 114 ? 0.5418 1.3843 0.6321 0.0267 0.0377 0.5385 114 SER E OG 7034 N N . PHE E 115 ? 0.5227 1.2675 0.5054 0.0253 -0.0083 0.3885 115 PHE E N 7035 C CA . PHE E 115 ? 0.4996 1.1709 0.4737 0.0166 -0.0248 0.3315 115 PHE E CA 7036 C C . PHE E 115 ? 0.4585 1.0580 0.4922 0.0016 -0.0278 0.3377 115 PHE E C 7037 O O . PHE E 115 ? 0.4492 1.0499 0.5329 -0.0031 -0.0246 0.3828 115 PHE E O 7038 C CB . PHE E 115 ? 0.5178 1.1991 0.4494 0.0167 -0.0464 0.3055 115 PHE E CB 7039 C CG . PHE E 115 ? 0.5195 1.2215 0.4753 0.0124 -0.0549 0.3488 115 PHE E CG 7040 C CD1 . PHE E 115 ? 0.5547 1.3363 0.4869 0.0235 -0.0546 0.3862 115 PHE E CD1 7041 C CD2 . PHE E 115 ? 0.4884 1.1343 0.4900 -0.0004 -0.0634 0.3521 115 PHE E CD2 7042 C CE1 . PHE E 115 ? 0.5607 1.3621 0.5193 0.0211 -0.0645 0.4291 115 PHE E CE1 7043 C CE2 . PHE E 115 ? 0.4906 1.1558 0.5207 -0.0018 -0.0716 0.3906 115 PHE E CE2 7044 C CZ . PHE E 115 ? 0.5281 1.2692 0.5388 0.0086 -0.0732 0.4304 115 PHE E CZ 7045 N N . LEU E 116 ? 0.4393 0.9777 0.4673 -0.0043 -0.0347 0.2913 116 LEU E N 7046 C CA . LEU E 116 ? 0.4075 0.8802 0.4758 -0.0167 -0.0408 0.2848 116 LEU E CA 7047 C C . LEU E 116 ? 0.4031 0.8321 0.4381 -0.0218 -0.0545 0.2342 116 LEU E C 7048 O O . LEU E 116 ? 0.4046 0.8104 0.4203 -0.0196 -0.0542 0.2020 116 LEU E O 7049 C CB . LEU E 116 ? 0.3904 0.8354 0.5033 -0.0193 -0.0301 0.2933 116 LEU E CB 7050 C CG . LEU E 116 ? 0.3678 0.7594 0.5335 -0.0291 -0.0345 0.2974 116 LEU E CG 7051 C CD1 . LEU E 116 ? 0.3612 0.7468 0.5795 -0.0307 -0.0251 0.3170 116 LEU E CD1 7052 C CD2 . LEU E 116 ? 0.3526 0.6879 0.4984 -0.0350 -0.0452 0.2525 116 LEU E CD2 7053 N N . HIS E 117 ? 0.3993 0.8196 0.4329 -0.0287 -0.0667 0.2306 117 HIS E N 7054 C CA . HIS E 117 ? 0.3998 0.7852 0.4087 -0.0362 -0.0800 0.1901 117 HIS E CA 7055 C C . HIS E 117 ? 0.3748 0.7118 0.4158 -0.0470 -0.0817 0.1884 117 HIS E C 7056 O O . HIS E 117 ? 0.3638 0.7073 0.4399 -0.0482 -0.0797 0.2149 117 HIS E O 7057 C CB . HIS E 117 ? 0.4226 0.8468 0.4025 -0.0358 -0.0941 0.1831 117 HIS E CB 7058 C CG . HIS E 117 ? 0.4584 0.9284 0.3944 -0.0235 -0.0954 0.1689 117 HIS E CG 7059 N ND1 . HIS E 117 ? 0.4947 0.9901 0.3955 -0.0224 -0.1128 0.1422 117 HIS E ND1 7060 C CD2 . HIS E 117 ? 0.4733 0.9724 0.3961 -0.0106 -0.0816 0.1751 117 HIS E CD2 7061 C CE1 . HIS E 117 ? 0.5198 1.0579 0.3831 -0.0075 -0.1098 0.1293 117 HIS E CE1 7062 N NE2 . HIS E 117 ? 0.5098 1.0530 0.3854 0.0001 -0.0892 0.1505 117 HIS E NE2 7063 N N . VAL E 118 ? 0.3708 0.6620 0.4007 -0.0532 -0.0852 0.1578 118 VAL E N 7064 C CA . VAL E 118 ? 0.3542 0.6054 0.4066 -0.0616 -0.0848 0.1541 118 VAL E CA 7065 C C . VAL E 118 ? 0.3631 0.5953 0.3984 -0.0723 -0.0947 0.1314 118 VAL E C 7066 O O . VAL E 118 ? 0.3788 0.5953 0.3877 -0.0745 -0.1017 0.1075 118 VAL E O 7067 C CB . VAL E 118 ? 0.3434 0.5570 0.4062 -0.0599 -0.0783 0.1464 118 VAL E CB 7068 C CG1 . VAL E 118 ? 0.3295 0.5130 0.4127 -0.0654 -0.0770 0.1432 118 VAL E CG1 7069 C CG2 . VAL E 118 ? 0.3359 0.5685 0.4240 -0.0519 -0.0695 0.1687 118 VAL E CG2 7070 N N . ALA E 119 ? 0.3549 0.5895 0.4119 -0.0786 -0.0952 0.1402 119 ALA E N 7071 C CA . ALA E 119 ? 0.3616 0.5825 0.4140 -0.0911 -0.1020 0.1256 119 ALA E CA 7072 C C . ALA E 119 ? 0.3531 0.5411 0.4178 -0.0952 -0.0931 0.1229 119 ALA E C 7073 O O . ALA E 119 ? 0.3398 0.5265 0.4276 -0.0884 -0.0839 0.1334 119 ALA E O 7074 C CB . ALA E 119 ? 0.3606 0.6192 0.4291 -0.0952 -0.1093 0.1368 119 ALA E CB 7075 N N . PHE E 120 ? 0.3658 0.5289 0.4161 -0.1057 -0.0968 0.1087 120 PHE E N 7076 C CA . PHE E 120 ? 0.3653 0.5037 0.4182 -0.1095 -0.0882 0.1076 120 PHE E CA 7077 C C . PHE E 120 ? 0.3740 0.5194 0.4359 -0.1243 -0.0898 0.1096 120 PHE E C 7078 O O . PHE E 120 ? 0.3915 0.5308 0.4463 -0.1354 -0.1015 0.1020 120 PHE E O 7079 C CB . PHE E 120 ? 0.3766 0.4784 0.4050 -0.1076 -0.0899 0.0960 120 PHE E CB 7080 C CG . PHE E 120 ? 0.3890 0.4696 0.4115 -0.1106 -0.0829 0.0964 120 PHE E CG 7081 C CD1 . PHE E 120 ? 0.3860 0.4681 0.4162 -0.1012 -0.0732 0.0975 120 PHE E CD1 7082 C CD2 . PHE E 120 ? 0.4153 0.4756 0.4251 -0.1222 -0.0872 0.0957 120 PHE E CD2 7083 C CE1 . PHE E 120 ? 0.4016 0.4717 0.4189 -0.1016 -0.0670 0.0957 120 PHE E CE1 7084 C CE2 . PHE E 120 ? 0.4269 0.4748 0.4267 -0.1241 -0.0797 0.1015 120 PHE E CE2 7085 C CZ . PHE E 120 ? 0.4211 0.4770 0.4203 -0.1129 -0.0692 0.1003 120 PHE E CZ 7086 N N . GLN E 121 ? 0.3653 0.5253 0.4480 -0.1241 -0.0783 0.1186 121 GLN E N 7087 C CA . GLN E 121 ? 0.3715 0.5492 0.4723 -0.1378 -0.0761 0.1253 121 GLN E CA 7088 C C . GLN E 121 ? 0.3721 0.5773 0.4894 -0.1468 -0.0909 0.1267 121 GLN E C 7089 O O . GLN E 121 ? 0.3871 0.5958 0.5151 -0.1635 -0.0979 0.1265 121 GLN E O 7090 C CB . GLN E 121 ? 0.3922 0.5434 0.4772 -0.1504 -0.0744 0.1248 121 GLN E CB 7091 C CG . GLN E 121 ? 0.4014 0.5285 0.4625 -0.1410 -0.0637 0.1227 121 GLN E CG 7092 C CD . GLN E 121 ? 0.4025 0.5520 0.4743 -0.1322 -0.0456 0.1266 121 GLN E CD 7093 O OE1 . GLN E 121 ? 0.3920 0.5598 0.4838 -0.1198 -0.0414 0.1235 121 GLN E OE1 7094 N NE2 . GLN E 121 ? 0.4118 0.5611 0.4709 -0.1372 -0.0349 0.1335 121 GLN E NE2 7095 N N . GLY E 122 ? 0.3588 0.5857 0.4803 -0.1360 -0.0968 0.1296 122 GLY E N 7096 C CA . GLY E 122 ? 0.3605 0.6218 0.4934 -0.1410 -0.1127 0.1311 122 GLY E CA 7097 C C . GLY E 122 ? 0.3777 0.6317 0.4823 -0.1441 -0.1305 0.1136 122 GLY E C 7098 O O . GLY E 122 ? 0.3890 0.6749 0.4966 -0.1466 -0.1466 0.1102 122 GLY E O 7099 N N . LYS E 123 ? 0.3826 0.5977 0.4601 -0.1423 -0.1288 0.1005 123 LYS E N 7100 C CA . LYS E 123 ? 0.4042 0.6087 0.4568 -0.1426 -0.1446 0.0782 123 LYS E CA 7101 C C . LYS E 123 ? 0.4010 0.5993 0.4269 -0.1250 -0.1389 0.0742 123 LYS E C 7102 O O . LYS E 123 ? 0.3880 0.5627 0.4113 -0.1186 -0.1256 0.0809 123 LYS E O 7103 C CB . LYS E 123 ? 0.4241 0.5879 0.4778 -0.1576 -0.1517 0.0642 123 LYS E CB 7104 N N . TYR E 124 ? 0.4158 0.6406 0.4228 -0.1171 -0.1497 0.0627 124 TYR E N 7105 C CA . TYR E 124 ? 0.4156 0.6478 0.3993 -0.0999 -0.1432 0.0606 124 TYR E CA 7106 C C . TYR E 124 ? 0.4271 0.6147 0.3963 -0.0976 -0.1428 0.0395 124 TYR E C 7107 O O . TYR E 124 ? 0.4547 0.6217 0.4175 -0.1037 -0.1571 0.0139 124 TYR E O 7108 C CB . TYR E 124 ? 0.4368 0.7180 0.3999 -0.0916 -0.1549 0.0521 124 TYR E CB 7109 C CG . TYR E 124 ? 0.4429 0.7456 0.3796 -0.0732 -0.1474 0.0496 124 TYR E CG 7110 C CD1 . TYR E 124 ? 0.4195 0.7214 0.3656 -0.0642 -0.1284 0.0745 124 TYR E CD1 7111 C CD2 . TYR E 124 ? 0.4723 0.8015 0.3777 -0.0642 -0.1595 0.0213 124 TYR E CD2 7112 C CE1 . TYR E 124 ? 0.4264 0.7550 0.3545 -0.0485 -0.1196 0.0761 124 TYR E CE1 7113 C CE2 . TYR E 124 ? 0.4796 0.8381 0.3605 -0.0455 -0.1494 0.0198 124 TYR E CE2 7114 C CZ . TYR E 124 ? 0.4565 0.8160 0.3504 -0.0385 -0.1284 0.0500 124 TYR E CZ 7115 O OH . TYR E 124 ? 0.4665 0.8608 0.3420 -0.0212 -0.1164 0.0521 124 TYR E OH 7116 N N . VAL E 125 ? 0.4084 0.5805 0.3783 -0.0888 -0.1287 0.0500 125 VAL E N 7117 C CA . VAL E 125 ? 0.4162 0.5469 0.3769 -0.0854 -0.1288 0.0341 125 VAL E CA 7118 C C . VAL E 125 ? 0.4137 0.5553 0.3657 -0.0682 -0.1200 0.0333 125 VAL E C 7119 O O . VAL E 125 ? 0.4315 0.5573 0.3716 -0.0604 -0.1247 0.0117 125 VAL E O 7120 C CB . VAL E 125 ? 0.4050 0.4963 0.3780 -0.0944 -0.1234 0.0443 125 VAL E CB 7121 C CG1 . VAL E 125 ? 0.4117 0.4894 0.3945 -0.1122 -0.1314 0.0435 125 VAL E CG1 7122 C CG2 . VAL E 125 ? 0.3733 0.4764 0.3615 -0.0906 -0.1092 0.0666 125 VAL E CG2 7123 N N . VAL E 126 ? 0.3936 0.5625 0.3580 -0.0624 -0.1075 0.0578 126 VAL E N 7124 C CA . VAL E 126 ? 0.3881 0.5688 0.3561 -0.0493 -0.0970 0.0641 126 VAL E CA 7125 C C . VAL E 126 ? 0.3905 0.6275 0.3605 -0.0408 -0.0888 0.0851 126 VAL E C 7126 O O . VAL E 126 ? 0.3848 0.6445 0.3655 -0.0455 -0.0887 0.1056 126 VAL E O 7127 C CB . VAL E 126 ? 0.3644 0.5177 0.3569 -0.0514 -0.0899 0.0773 126 VAL E CB 7128 C CG1 . VAL E 126 ? 0.3546 0.5260 0.3630 -0.0405 -0.0801 0.0880 126 VAL E CG1 7129 C CG2 . VAL E 126 ? 0.3708 0.4757 0.3552 -0.0567 -0.0973 0.0603 126 VAL E CG2 7130 N N . ARG E 127 ? 0.4025 0.6653 0.3644 -0.0275 -0.0814 0.0824 127 ARG E N 7131 C CA . ARG E 127 ? 0.4066 0.7280 0.3727 -0.0185 -0.0696 0.1103 127 ARG E CA 7132 C C . ARG E 127 ? 0.4026 0.7337 0.3890 -0.0097 -0.0554 0.1215 127 ARG E C 7133 O O . ARG E 127 ? 0.4037 0.7041 0.3900 -0.0062 -0.0571 0.0988 127 ARG E O 7134 C CB . ARG E 127 ? 0.4388 0.8076 0.3658 -0.0088 -0.0743 0.0951 127 ARG E CB 7135 C CG . ARG E 127 ? 0.4629 0.8264 0.3639 0.0034 -0.0772 0.0547 127 ARG E CG 7136 C CD . ARG E 127 ? 0.4958 0.9218 0.3592 0.0189 -0.0772 0.0409 127 ARG E CD 7137 N NE . ARG E 127 ? 0.5248 0.9451 0.3697 0.0343 -0.0784 -0.0011 127 ARG E NE 7138 C CZ . ARG E 127 ? 0.5686 1.0341 0.3769 0.0514 -0.0812 -0.0312 127 ARG E CZ 7139 N NH1 . ARG E 127 ? 0.5907 1.1149 0.3710 0.0549 -0.0841 -0.0221 127 ARG E NH1 7140 N NH2 . ARG E 127 ? 0.5952 1.0489 0.3948 0.0670 -0.0823 -0.0723 127 ARG E NH2 7141 N N . PHE E 128 ? 0.4006 0.7759 0.4098 -0.0065 -0.0422 0.1594 128 PHE E N 7142 C CA . PHE E 128 ? 0.4022 0.8015 0.4347 0.0016 -0.0273 0.1736 128 PHE E CA 7143 C C . PHE E 128 ? 0.4356 0.9001 0.4349 0.0179 -0.0170 0.1714 128 PHE E C 7144 O O . PHE E 128 ? 0.4519 0.9703 0.4409 0.0213 -0.0110 0.1992 128 PHE E O 7145 C CB . PHE E 128 ? 0.3834 0.7922 0.4713 -0.0057 -0.0183 0.2192 128 PHE E CB 7146 C CG . PHE E 128 ? 0.3756 0.7953 0.5028 -0.0026 -0.0065 0.2318 128 PHE E CG 7147 C CD1 . PHE E 128 ? 0.3586 0.7277 0.5155 -0.0087 -0.0138 0.2158 128 PHE E CD1 7148 C CD2 . PHE E 128 ? 0.3882 0.8742 0.5236 0.0064 0.0115 0.2605 128 PHE E CD2 7149 C CE1 . PHE E 128 ? 0.3535 0.7352 0.5527 -0.0068 -0.0057 0.2262 128 PHE E CE1 7150 C CE2 . PHE E 128 ? 0.3885 0.8894 0.5685 0.0079 0.0231 0.2743 128 PHE E CE2 7151 C CZ . PHE E 128 ? 0.3674 0.8145 0.5818 0.0007 0.0131 0.2560 128 PHE E CZ 7152 N N . TRP E 129 ? 0.4531 0.9150 0.4348 0.0299 -0.0156 0.1374 129 TRP E N 7153 C CA . TRP E 129 ? 0.4904 1.0152 0.4374 0.0495 -0.0053 0.1250 129 TRP E CA 7154 C C . TRP E 129 ? 0.4903 1.0421 0.4635 0.0613 0.0128 0.1312 129 TRP E C 7155 O O . TRP E 129 ? 0.4753 0.9815 0.4719 0.0602 0.0082 0.1126 129 TRP E O 7156 C CB . TRP E 129 ? 0.5201 1.0224 0.4219 0.0572 -0.0223 0.0694 129 TRP E CB 7157 C CG . TRP E 129 ? 0.5689 1.1373 0.4290 0.0797 -0.0150 0.0470 129 TRP E CG 7158 C CD1 . TRP E 129 ? 0.5976 1.1800 0.4482 0.1001 -0.0084 0.0122 129 TRP E CD1 7159 C CD2 . TRP E 129 ? 0.6022 1.2364 0.4233 0.0866 -0.0143 0.0555 129 TRP E CD2 7160 N NE1 . TRP E 129 ? 0.6491 1.3031 0.4550 0.1202 -0.0022 -0.0049 129 TRP E NE1 7161 C CE2 . TRP E 129 ? 0.6502 1.3384 0.4346 0.1120 -0.0065 0.0218 129 TRP E CE2 7162 C CE3 . TRP E 129 ? 0.5992 1.2548 0.4132 0.0755 -0.0205 0.0879 129 TRP E CE3 7163 C CZ2 . TRP E 129 ? 0.6972 1.4625 0.4320 0.1264 -0.0049 0.0182 129 TRP E CZ2 7164 C CZ3 . TRP E 129 ? 0.6463 1.3771 0.4144 0.0888 -0.0204 0.0884 129 TRP E CZ3 7165 C CH2 . TRP E 129 ? 0.6963 1.4825 0.4223 0.1139 -0.0128 0.0532 129 TRP E CH2 7166 N N . GLY E 130 ? 0.5101 1.1415 0.4808 0.0727 0.0337 0.1603 130 GLY E N 7167 C CA . GLY E 130 ? 0.5130 1.1866 0.5132 0.0845 0.0551 0.1722 130 GLY E CA 7168 C C . GLY E 130 ? 0.4758 1.1235 0.5468 0.0680 0.0591 0.2092 130 GLY E C 7169 O O . GLY E 130 ? 0.4674 1.1394 0.5726 0.0566 0.0676 0.2605 130 GLY E O 7170 N N . THR E 131 ? 0.4580 1.0552 0.5537 0.0670 0.0505 0.1825 131 THR E N 7171 C CA . THR E 131 ? 0.4277 1.0006 0.5915 0.0530 0.0504 0.2078 131 THR E CA 7172 C C . THR E 131 ? 0.4043 0.8898 0.5753 0.0397 0.0254 0.1827 131 THR E C 7173 O O . THR E 131 ? 0.3849 0.8445 0.6067 0.0300 0.0201 0.1918 131 THR E O 7174 C CB . THR E 131 ? 0.4310 1.0412 0.6300 0.0656 0.0650 0.2061 131 THR E CB 7175 O OG1 . THR E 131 ? 0.4444 1.0278 0.6110 0.0818 0.0553 0.1533 131 THR E OG1 7176 C CG2 . THR E 131 ? 0.4520 1.1590 0.6527 0.0780 0.0944 0.2395 131 THR E CG2 7177 N N . SER E 132 ? 0.4084 0.8528 0.5300 0.0391 0.0099 0.1517 132 SER E N 7178 C CA . SER E 132 ? 0.3920 0.7611 0.5132 0.0285 -0.0112 0.1289 132 SER E CA 7179 C C . SER E 132 ? 0.3941 0.7319 0.4763 0.0199 -0.0236 0.1181 132 SER E C 7180 O O . SER E 132 ? 0.4095 0.7815 0.4615 0.0236 -0.0193 0.1215 132 SER E O 7181 C CB . SER E 132 ? 0.4018 0.7439 0.5147 0.0403 -0.0196 0.0922 132 SER E CB 7182 O OG . SER E 132 ? 0.4300 0.7850 0.4983 0.0553 -0.0195 0.0620 132 SER E OG 7183 N N . TRP E 133 ? 0.3793 0.6574 0.4637 0.0089 -0.0391 0.1058 133 TRP E N 7184 C CA . TRP E 133 ? 0.3796 0.6256 0.4329 0.0000 -0.0509 0.0938 133 TRP E CA 7185 C C . TRP E 133 ? 0.4022 0.6251 0.4189 0.0070 -0.0613 0.0573 133 TRP E C 7186 O O . TRP E 133 ? 0.4112 0.6183 0.4317 0.0162 -0.0645 0.0393 133 TRP E O 7187 C CB . TRP E 133 ? 0.3598 0.5588 0.4312 -0.0131 -0.0603 0.0973 133 TRP E CB 7188 C CG . TRP E 133 ? 0.3390 0.5513 0.4542 -0.0196 -0.0540 0.1269 133 TRP E CG 7189 C CD1 . TRP E 133 ? 0.3317 0.5471 0.4911 -0.0196 -0.0516 0.1376 133 TRP E CD1 7190 C CD2 . TRP E 133 ? 0.3299 0.5528 0.4571 -0.0271 -0.0513 0.1493 133 TRP E CD2 7191 N NE1 . TRP E 133 ? 0.3229 0.5465 0.5236 -0.0274 -0.0482 0.1644 133 TRP E NE1 7192 C CE2 . TRP E 133 ? 0.3187 0.5465 0.5001 -0.0310 -0.0475 0.1728 133 TRP E CE2 7193 C CE3 . TRP E 133 ? 0.3334 0.5626 0.4365 -0.0307 -0.0536 0.1518 133 TRP E CE3 7194 C CZ2 . TRP E 133 ? 0.3125 0.5476 0.5254 -0.0368 -0.0454 0.1988 133 TRP E CZ2 7195 C CZ3 . TRP E 133 ? 0.3253 0.5663 0.4569 -0.0359 -0.0509 0.1787 133 TRP E CZ3 7196 C CH2 . TRP E 133 ? 0.3156 0.5576 0.5018 -0.0381 -0.0467 0.2020 133 TRP E CH2 7197 N N . GLN E 134 ? 0.4148 0.6349 0.4022 0.0024 -0.0685 0.0468 134 GLN E N 7198 C CA . GLN E 134 ? 0.4442 0.6411 0.4038 0.0070 -0.0811 0.0114 134 GLN E CA 7199 C C . GLN E 134 ? 0.4452 0.6120 0.3924 -0.0088 -0.0941 0.0068 134 GLN E C 7200 O O . GLN E 134 ? 0.4319 0.6170 0.3816 -0.0182 -0.0914 0.0271 134 GLN E O 7201 C CB . GLN E 134 ? 0.4737 0.7209 0.4098 0.0230 -0.0761 -0.0053 134 GLN E CB 7202 C CG . GLN E 134 ? 0.4887 0.7706 0.4344 0.0423 -0.0622 -0.0086 134 GLN E CG 7203 C CD . GLN E 134 ? 0.5333 0.8781 0.4503 0.0598 -0.0539 -0.0229 134 GLN E CD 7204 O OE1 . GLN E 134 ? 0.5606 0.9160 0.4473 0.0582 -0.0636 -0.0383 134 GLN E OE1 7205 N NE2 . GLN E 134 ? 0.5412 0.9333 0.4677 0.0773 -0.0362 -0.0186 134 GLN E NE2 7206 N N . THR E 135 ? 0.4638 0.5864 0.4031 -0.0115 -0.1084 -0.0177 135 THR E N 7207 C CA . THR E 135 ? 0.4727 0.5714 0.4047 -0.0270 -0.1212 -0.0240 135 THR E CA 7208 C C . THR E 135 ? 0.5027 0.6247 0.4154 -0.0217 -0.1307 -0.0514 135 THR E C 7209 O O . THR E 135 ? 0.5273 0.6614 0.4302 -0.0047 -0.1316 -0.0769 135 THR E O 7210 C CB . THR E 135 ? 0.4834 0.5225 0.4228 -0.0354 -0.1328 -0.0307 135 THR E CB 7211 O OG1 . THR E 135 ? 0.5124 0.5318 0.4520 -0.0212 -0.1398 -0.0555 135 THR E OG1 7212 C CG2 . THR E 135 ? 0.4552 0.4772 0.4067 -0.0411 -0.1257 -0.0057 135 THR E CG2 7213 N N . VAL E 136 ? 0.5034 0.6353 0.4124 -0.0350 -0.1386 -0.0485 136 VAL E N 7214 C CA . VAL E 136 ? 0.5373 0.6957 0.4281 -0.0316 -0.1518 -0.0766 136 VAL E CA 7215 C C . VAL E 136 ? 0.5687 0.6786 0.4694 -0.0435 -0.1737 -0.1049 136 VAL E C 7216 O O . VAL E 136 ? 0.5590 0.6223 0.4797 -0.0581 -0.1760 -0.0915 136 VAL E O 7217 C CB . VAL E 136 ? 0.5264 0.7363 0.4103 -0.0373 -0.1502 -0.0558 136 VAL E CB 7218 C CG1 . VAL E 136 ? 0.4986 0.7525 0.3823 -0.0269 -0.1292 -0.0218 136 VAL E CG1 7219 C CG2 . VAL E 136 ? 0.5058 0.6930 0.4113 -0.0596 -0.1563 -0.0377 136 VAL E CG2 7220 N N . PRO E 137 ? 0.6122 0.7342 0.5008 -0.0371 -0.1905 -0.1441 137 PRO E N 7221 C CA . PRO E 137 ? 0.6466 0.7212 0.5549 -0.0507 -0.2146 -0.1716 137 PRO E CA 7222 C C . PRO E 137 ? 0.6269 0.6816 0.5603 -0.0787 -0.2196 -0.1445 137 PRO E C 7223 O O . PRO E 137 ? 0.6084 0.7035 0.5381 -0.0865 -0.2173 -0.1271 137 PRO E O 7224 C CB . PRO E 137 ? 0.6903 0.8025 0.5790 -0.0405 -0.2318 -0.2149 137 PRO E CB 7225 C CG . PRO E 137 ? 0.6920 0.8548 0.5483 -0.0130 -0.2145 -0.2205 137 PRO E CG 7226 C CD . PRO E 137 ? 0.6379 0.8173 0.4958 -0.0149 -0.1883 -0.1679 137 PRO E CD 7227 N N . GLY E 138 ? 0.6334 0.6299 0.5938 -0.0923 -0.2256 -0.1383 138 GLY E N 7228 C CA . GLY E 138 ? 0.6202 0.5998 0.6073 -0.1186 -0.2277 -0.1109 138 GLY E CA 7229 C C . GLY E 138 ? 0.5805 0.5501 0.5691 -0.1231 -0.2064 -0.0689 138 GLY E C 7230 O O . GLY E 138 ? 0.5727 0.5317 0.5813 -0.1424 -0.2042 -0.0448 138 GLY E O 7231 N N . ALA E 139 ? 0.5582 0.5350 0.5276 -0.1050 -0.1911 -0.0618 139 ALA E N 7232 C CA . ALA E 139 ? 0.5236 0.4955 0.4924 -0.1062 -0.1732 -0.0288 139 ALA E CA 7233 C C . ALA E 139 ? 0.5367 0.4580 0.5164 -0.1130 -0.1761 -0.0178 139 ALA E C 7234 O O . ALA E 139 ? 0.5677 0.4548 0.5531 -0.1075 -0.1885 -0.0355 139 ALA E O 7235 C CB . ALA E 139 ? 0.4998 0.4967 0.4526 -0.0862 -0.1591 -0.0259 139 ALA E CB 7236 N N . PRO E 140 ? 0.5183 0.4373 0.5012 -0.1234 -0.1649 0.0117 140 PRO E N 7237 C CA . PRO E 140 ? 0.5326 0.4138 0.5179 -0.1273 -0.1651 0.0288 140 PRO E CA 7238 C C . PRO E 140 ? 0.5309 0.3974 0.5037 -0.1075 -0.1649 0.0219 140 PRO E C 7239 O O . PRO E 140 ? 0.5044 0.3977 0.4664 -0.0943 -0.1552 0.0185 140 PRO E O 7240 C CB . PRO E 140 ? 0.5086 0.4104 0.4898 -0.1350 -0.1487 0.0562 140 PRO E CB 7241 C CG . PRO E 140 ? 0.4928 0.4313 0.4840 -0.1429 -0.1451 0.0548 140 PRO E CG 7242 C CD . PRO E 140 ? 0.4897 0.4450 0.4747 -0.1308 -0.1521 0.0301 140 PRO E CD 7243 N N . SER E 141 ? 0.5623 0.3873 0.5426 -0.1060 -0.1765 0.0222 141 SER E N 7244 C CA . SER E 141 ? 0.5677 0.3777 0.5434 -0.0861 -0.1801 0.0135 141 SER E CA 7245 C C . SER E 141 ? 0.5451 0.3674 0.5057 -0.0792 -0.1693 0.0324 141 SER E C 7246 O O . SER E 141 ? 0.5357 0.3664 0.4941 -0.0623 -0.1682 0.0230 141 SER E O 7247 C CB . SER E 141 ? 0.6128 0.3727 0.6068 -0.0860 -0.1976 0.0124 141 SER E CB 7248 O OG . SER E 141 ? 0.6380 0.3826 0.6522 -0.0923 -0.2111 -0.0110 141 SER E OG 7249 N N . TRP E 142 ? 0.5403 0.3675 0.4927 -0.0917 -0.1618 0.0569 142 TRP E N 7250 C CA . TRP E 142 ? 0.5263 0.3658 0.4628 -0.0847 -0.1543 0.0696 142 TRP E CA 7251 C C . TRP E 142 ? 0.4912 0.3640 0.4279 -0.0744 -0.1448 0.0573 142 TRP E C 7252 O O . TRP E 142 ? 0.4823 0.3624 0.4142 -0.0655 -0.1433 0.0592 142 TRP E O 7253 C CB . TRP E 142 ? 0.5327 0.3796 0.4579 -0.0980 -0.1458 0.0938 142 TRP E CB 7254 C CG . TRP E 142 ? 0.5107 0.3856 0.4426 -0.1100 -0.1338 0.0950 142 TRP E CG 7255 C CD1 . TRP E 142 ? 0.5234 0.3968 0.4696 -0.1273 -0.1339 0.1036 142 TRP E CD1 7256 C CD2 . TRP E 142 ? 0.4755 0.3844 0.4069 -0.1055 -0.1215 0.0888 142 TRP E CD2 7257 N NE1 . TRP E 142 ? 0.4990 0.4068 0.4514 -0.1327 -0.1223 0.1028 142 TRP E NE1 7258 C CE2 . TRP E 142 ? 0.4713 0.3996 0.4150 -0.1187 -0.1145 0.0943 142 TRP E CE2 7259 C CE3 . TRP E 142 ? 0.4568 0.3808 0.3858 -0.0920 -0.1173 0.0799 142 TRP E CE3 7260 C CZ2 . TRP E 142 ? 0.4473 0.4087 0.3989 -0.1167 -0.1033 0.0921 142 TRP E CZ2 7261 C CZ3 . TRP E 142 ? 0.4353 0.3884 0.3748 -0.0915 -0.1064 0.0779 142 TRP E CZ3 7262 C CH2 . TRP E 142 ? 0.4343 0.4055 0.3840 -0.1027 -0.0994 0.0844 142 TRP E CH2 7263 N N . LEU E 143 ? 0.4758 0.3697 0.4209 -0.0760 -0.1401 0.0460 143 LEU E N 7264 C CA . LEU E 143 ? 0.4460 0.3733 0.3972 -0.0674 -0.1308 0.0406 143 LEU E CA 7265 C C . LEU E 143 ? 0.4461 0.3761 0.4042 -0.0510 -0.1337 0.0295 143 LEU E C 7266 O O . LEU E 143 ? 0.4260 0.3827 0.3953 -0.0444 -0.1258 0.0309 143 LEU E O 7267 C CB . LEU E 143 ? 0.4363 0.3900 0.3920 -0.0723 -0.1267 0.0358 143 LEU E CB 7268 C CG . LEU E 143 ? 0.4247 0.3946 0.3839 -0.0856 -0.1200 0.0483 143 LEU E CG 7269 C CD1 . LEU E 143 ? 0.4331 0.4217 0.3954 -0.0911 -0.1241 0.0404 143 LEU E CD1 7270 C CD2 . LEU E 143 ? 0.4010 0.3950 0.3697 -0.0811 -0.1086 0.0581 143 LEU E CD2 7271 N N . ASP E 144 ? 0.4726 0.3760 0.4303 -0.0442 -0.1448 0.0201 144 ASP E N 7272 C CA . ASP E 144 ? 0.4763 0.3844 0.4450 -0.0268 -0.1474 0.0093 144 ASP E CA 7273 C C . ASP E 144 ? 0.4630 0.3767 0.4386 -0.0219 -0.1472 0.0193 144 ASP E C 7274 O O . ASP E 144 ? 0.4511 0.3861 0.4444 -0.0105 -0.1443 0.0144 144 ASP E O 7275 C CB . ASP E 144 ? 0.5115 0.3855 0.4839 -0.0188 -0.1615 -0.0031 144 ASP E CB 7276 C CG . ASP E 144 ? 0.5344 0.4083 0.5074 -0.0179 -0.1643 -0.0249 144 ASP E CG 7277 O OD1 . ASP E 144 ? 0.5258 0.4350 0.4930 -0.0197 -0.1546 -0.0308 144 ASP E OD1 7278 O OD2 . ASP E 144 ? 0.5709 0.4096 0.5520 -0.0146 -0.1781 -0.0368 144 ASP E OD2 7279 N N . LEU E 145 ? 0.4686 0.3677 0.4317 -0.0303 -0.1506 0.0323 145 LEU E N 7280 C CA . LEU E 145 ? 0.4637 0.3697 0.4308 -0.0255 -0.1538 0.0362 145 LEU E CA 7281 C C . LEU E 145 ? 0.4350 0.3714 0.4186 -0.0281 -0.1428 0.0360 145 LEU E C 7282 O O . LEU E 145 ? 0.4246 0.3767 0.4325 -0.0207 -0.1441 0.0324 145 LEU E O 7283 C CB . LEU E 145 ? 0.4862 0.3726 0.4296 -0.0301 -0.1619 0.0479 145 LEU E CB 7284 C CG . LEU E 145 ? 0.4929 0.3865 0.4340 -0.0231 -0.1708 0.0471 145 LEU E CG 7285 C CD1 . LEU E 145 ? 0.4873 0.3873 0.4548 -0.0097 -0.1806 0.0378 145 LEU E CD1 7286 C CD2 . LEU E 145 ? 0.5350 0.4123 0.4450 -0.0246 -0.1801 0.0614 145 LEU E CD2 7287 N N . PRO E 146 ? 0.4249 0.3698 0.4024 -0.0386 -0.1329 0.0415 146 PRO E N 7288 C CA . PRO E 146 ? 0.4005 0.3716 0.4017 -0.0398 -0.1233 0.0436 146 PRO E CA 7289 C C . PRO E 146 ? 0.3876 0.3828 0.4135 -0.0333 -0.1177 0.0442 146 PRO E C 7290 O O . PRO E 146 ? 0.3779 0.3894 0.4344 -0.0301 -0.1161 0.0471 146 PRO E O 7291 C CB . PRO E 146 ? 0.3967 0.3735 0.3884 -0.0500 -0.1145 0.0502 146 PRO E CB 7292 C CG . PRO E 146 ? 0.4189 0.3735 0.3831 -0.0556 -0.1192 0.0522 146 PRO E CG 7293 C CD . PRO E 146 ? 0.4390 0.3713 0.3941 -0.0497 -0.1308 0.0488 146 PRO E CD 7294 N N . ILE E 147 ? 0.3924 0.3925 0.4071 -0.0313 -0.1151 0.0408 147 ILE E N 7295 C CA . ILE E 147 ? 0.3862 0.4182 0.4166 -0.0227 -0.1072 0.0408 147 ILE E CA 7296 C C . ILE E 147 ? 0.3873 0.4249 0.4402 -0.0114 -0.1104 0.0369 147 ILE E C 7297 O O . ILE E 147 ? 0.3762 0.4474 0.4576 -0.0071 -0.1012 0.0456 147 ILE E O 7298 C CB . ILE E 147 ? 0.4030 0.4401 0.4114 -0.0198 -0.1066 0.0296 147 ILE E CB 7299 C CG1 . ILE E 147 ? 0.3995 0.4611 0.4020 -0.0279 -0.0992 0.0390 147 ILE E CG1 7300 C CG2 . ILE E 147 ? 0.4052 0.4692 0.4213 -0.0044 -0.1017 0.0202 147 ILE E CG2 7301 C CD1 . ILE E 147 ? 0.4029 0.4456 0.3991 -0.0419 -0.1018 0.0463 147 ILE E CD1 7302 N N . LYS E 148 ? 0.4040 0.4117 0.4480 -0.0070 -0.1235 0.0274 148 LYS E N 7303 C CA . LYS E 148 ? 0.4078 0.4206 0.4763 0.0039 -0.1300 0.0236 148 LYS E CA 7304 C C . LYS E 148 ? 0.3886 0.4154 0.4888 -0.0008 -0.1309 0.0321 148 LYS E C 7305 O O . LYS E 148 ? 0.3770 0.4301 0.5151 0.0047 -0.1284 0.0352 148 LYS E O 7306 C CB . LYS E 148 ? 0.4345 0.4107 0.4865 0.0093 -0.1471 0.0161 148 LYS E CB 7307 C CG . LYS E 148 ? 0.4437 0.4252 0.5224 0.0215 -0.1579 0.0128 148 LYS E CG 7308 C CD . LYS E 148 ? 0.4847 0.4300 0.5459 0.0272 -0.1767 0.0111 148 LYS E CD 7309 C CE . LYS E 148 ? 0.5168 0.4479 0.5786 0.0401 -0.1790 0.0008 148 LYS E CE 7310 N NZ . LYS E 148 ? 0.5224 0.4828 0.6206 0.0577 -0.1765 -0.0087 148 LYS E NZ 7311 N N . VAL E 149 ? 0.3864 0.3973 0.4752 -0.0109 -0.1346 0.0344 149 VAL E N 7312 C CA . VAL E 149 ? 0.3773 0.3952 0.4971 -0.0152 -0.1389 0.0355 149 VAL E CA 7313 C C . VAL E 149 ? 0.3566 0.4040 0.5161 -0.0199 -0.1250 0.0496 149 VAL E C 7314 O O . VAL E 149 ? 0.3491 0.4120 0.5560 -0.0206 -0.1275 0.0536 149 VAL E O 7315 C CB . VAL E 149 ? 0.3865 0.3823 0.4800 -0.0213 -0.1457 0.0292 149 VAL E CB 7316 C CG1 . VAL E 149 ? 0.3821 0.3841 0.5107 -0.0238 -0.1519 0.0228 149 VAL E CG1 7317 C CG2 . VAL E 149 ? 0.4142 0.3870 0.4719 -0.0165 -0.1599 0.0227 149 VAL E CG2 7318 N N . LEU E 150 ? 0.3486 0.4053 0.4924 -0.0237 -0.1118 0.0593 150 LEU E N 7319 C CA . LEU E 150 ? 0.3323 0.4196 0.5098 -0.0275 -0.0986 0.0793 150 LEU E CA 7320 C C . LEU E 150 ? 0.3273 0.4522 0.5313 -0.0208 -0.0887 0.0914 150 LEU E C 7321 O O . LEU E 150 ? 0.3211 0.4725 0.5724 -0.0242 -0.0813 0.1118 150 LEU E O 7322 C CB . LEU E 150 ? 0.3316 0.4234 0.4822 -0.0318 -0.0898 0.0872 150 LEU E CB 7323 C CG . LEU E 150 ? 0.3332 0.3999 0.4684 -0.0386 -0.0944 0.0808 150 LEU E CG 7324 C CD1 . LEU E 150 ? 0.3414 0.4145 0.4467 -0.0421 -0.0882 0.0855 150 LEU E CD1 7325 C CD2 . LEU E 150 ? 0.3205 0.3883 0.5003 -0.0422 -0.0949 0.0876 150 LEU E CD2 7326 N N . ASN E 151 ? 0.3348 0.4634 0.5126 -0.0107 -0.0881 0.0795 151 ASN E N 7327 C CA . ASN E 151 ? 0.3353 0.5047 0.5356 -0.0005 -0.0771 0.0861 151 ASN E CA 7328 C C . ASN E 151 ? 0.3302 0.5065 0.5801 0.0012 -0.0839 0.0871 151 ASN E C 7329 O O . ASN E 151 ? 0.3273 0.5464 0.6144 0.0062 -0.0720 0.1010 151 ASN E O 7330 C CB . ASN E 151 ? 0.3542 0.5235 0.5149 0.0127 -0.0761 0.0663 151 ASN E CB 7331 C CG . ASN E 151 ? 0.3640 0.5467 0.4875 0.0125 -0.0674 0.0665 151 ASN E CG 7332 O OD1 . ASN E 151 ? 0.3668 0.5762 0.4980 0.0059 -0.0572 0.0881 151 ASN E OD1 7333 N ND2 . ASN E 151 ? 0.3846 0.5491 0.4716 0.0199 -0.0736 0.0425 151 ASN E ND2 7334 N N . ALA E 152 ? 0.3325 0.4718 0.5834 -0.0026 -0.1030 0.0731 152 ALA E N 7335 C CA . ALA E 152 ? 0.3312 0.4751 0.6304 -0.0025 -0.1153 0.0706 152 ALA E CA 7336 C C . ALA E 152 ? 0.3211 0.4855 0.6822 -0.0143 -0.1111 0.0903 152 ALA E C 7337 O O . ALA E 152 ? 0.3190 0.5041 0.7377 -0.0156 -0.1157 0.0958 152 ALA E O 7338 C CB . ALA E 152 ? 0.3423 0.4450 0.6180 -0.0029 -0.1387 0.0498 152 ALA E CB 7339 N N . ASP E 153 ? 0.3178 0.4761 0.6729 -0.0230 -0.1037 0.1020 153 ASP E N 7340 C CA . ASP E 153 ? 0.3135 0.4835 0.7307 -0.0343 -0.1010 0.1228 153 ASP E CA 7341 C C . ASP E 153 ? 0.3087 0.5303 0.7579 -0.0344 -0.0781 0.1587 153 ASP E C 7342 O O . ASP E 153 ? 0.3079 0.5433 0.7401 -0.0358 -0.0642 0.1786 153 ASP E O 7343 C CB . ASP E 153 ? 0.3155 0.4562 0.7145 -0.0407 -0.1041 0.1194 153 ASP E CB 7344 C CG . ASP E 153 ? 0.3205 0.4608 0.7907 -0.0512 -0.1073 0.1344 153 ASP E CG 7345 O OD1 . ASP E 153 ? 0.3175 0.4807 0.8543 -0.0563 -0.1068 0.1516 153 ASP E OD1 7346 O OD2 . ASP E 153 ? 0.3377 0.4547 0.8024 -0.0542 -0.1106 0.1292 153 ASP E OD2 7347 N N . GLN E 154 ? 0.3086 0.5637 0.8053 -0.0324 -0.0744 0.1686 154 GLN E N 7348 C CA . GLN E 154 ? 0.3103 0.6257 0.8366 -0.0303 -0.0497 0.2044 154 GLN E CA 7349 C C . GLN E 154 ? 0.3089 0.6410 0.8875 -0.0436 -0.0402 0.2449 154 GLN E C 7350 O O . GLN E 154 ? 0.3133 0.6884 0.8824 -0.0409 -0.0186 0.2768 154 GLN E O 7351 C CB . GLN E 154 ? 0.3112 0.6619 0.8873 -0.0258 -0.0478 0.2067 154 GLN E CB 7352 C CG . GLN E 154 ? 0.3269 0.6762 0.8533 -0.0075 -0.0503 0.1756 154 GLN E CG 7353 C CD . GLN E 154 ? 0.3510 0.7424 0.9319 -0.0005 -0.0468 0.1793 154 GLN E CD 7354 O OE1 . GLN E 154 ? 0.3705 0.8068 0.9382 0.0152 -0.0275 0.1817 154 GLN E OE1 7355 N NE2 . GLN E 154 ? 0.3472 0.7277 0.9922 -0.0112 -0.0662 0.1771 154 GLN E NE2 7356 N N . GLY E 155 ? 0.3068 0.6055 0.9409 -0.0568 -0.0579 0.2427 155 GLY E N 7357 C CA . GLY E 155 ? 0.3101 0.6124 1.0034 -0.0695 -0.0537 0.2788 155 GLY E CA 7358 C C . GLY E 155 ? 0.3125 0.6103 0.9548 -0.0663 -0.0442 0.2909 155 GLY E C 7359 O O . GLY E 155 ? 0.3192 0.6538 0.9846 -0.0691 -0.0274 0.3357 155 GLY E O 7360 N N . THR E 156 ? 0.3116 0.5686 0.8865 -0.0606 -0.0550 0.2540 156 THR E N 7361 C CA . THR E 156 ? 0.3138 0.5666 0.8396 -0.0576 -0.0485 0.2607 156 THR E CA 7362 C C . THR E 156 ? 0.3194 0.6238 0.7997 -0.0487 -0.0279 0.2818 156 THR E C 7363 O O . THR E 156 ? 0.3251 0.6509 0.7939 -0.0484 -0.0187 0.3087 156 THR E O 7364 C CB . THR E 156 ? 0.3109 0.5156 0.7756 -0.0539 -0.0629 0.2170 156 THR E CB 7365 O OG1 . THR E 156 ? 0.3123 0.4769 0.8163 -0.0598 -0.0802 0.1987 156 THR E OG1 7366 C CG2 . THR E 156 ? 0.3117 0.5195 0.7267 -0.0509 -0.0557 0.2234 156 THR E CG2 7367 N N . SER E 157 ? 0.3221 0.6487 0.7781 -0.0399 -0.0221 0.2679 157 SER E N 7368 C CA . SER E 157 ? 0.3331 0.7124 0.7453 -0.0281 -0.0031 0.2791 157 SER E CA 7369 C C . SER E 157 ? 0.3418 0.7842 0.8016 -0.0304 0.0173 0.3331 157 SER E C 7370 O O . SER E 157 ? 0.3551 0.8375 0.7839 -0.0252 0.0303 0.3572 157 SER E O 7371 C CB . SER E 157 ? 0.3368 0.7228 0.7218 -0.0155 -0.0026 0.2478 157 SER E CB 7372 O OG . SER E 157 ? 0.3545 0.7845 0.6875 -0.0011 0.0126 0.2459 157 SER E OG 7373 N N . ALA E 158 ? 0.3378 0.7914 0.8751 -0.0388 0.0189 0.3537 158 ALA E N 7374 C CA . ALA E 158 ? 0.3475 0.8619 0.9457 -0.0442 0.0389 0.4122 158 ALA E CA 7375 C C . ALA E 158 ? 0.3547 0.8679 0.9730 -0.0526 0.0398 0.4530 158 ALA E C 7376 O O . ALA E 158 ? 0.3732 0.9469 0.9938 -0.0500 0.0595 0.5013 158 ALA E O 7377 C CB . ALA E 158 ? 0.3403 0.8548 1.0317 -0.0560 0.0345 0.4238 158 ALA E CB 7378 N N . THR E 159 ? 0.3444 0.7925 0.9766 -0.0609 0.0185 0.4335 159 THR E N 7379 C CA . THR E 159 ? 0.3516 0.7902 1.0134 -0.0675 0.0158 0.4680 159 THR E CA 7380 C C . THR E 159 ? 0.3578 0.8152 0.9394 -0.0568 0.0213 0.4696 159 THR E C 7381 O O . THR E 159 ? 0.3722 0.8620 0.9688 -0.0573 0.0292 0.5172 159 THR E O 7382 C CB . THR E 159 ? 0.3442 0.7098 1.0507 -0.0768 -0.0085 0.4406 159 THR E CB 7383 O OG1 . THR E 159 ? 0.3367 0.6834 1.1037 -0.0851 -0.0188 0.4243 159 THR E OG1 7384 C CG2 . THR E 159 ? 0.3580 0.7173 1.1285 -0.0841 -0.0107 0.4843 159 THR E CG2 7385 N N . VAL E 160 ? 0.3496 0.7880 0.8511 -0.0476 0.0154 0.4196 160 VAL E N 7386 C CA . VAL E 160 ? 0.3568 0.8145 0.7837 -0.0383 0.0178 0.4147 160 VAL E CA 7387 C C . VAL E 160 ? 0.3807 0.9183 0.7762 -0.0275 0.0387 0.4442 160 VAL E C 7388 O O . VAL E 160 ? 0.3978 0.9743 0.7736 -0.0238 0.0439 0.4762 160 VAL E O 7389 C CB . VAL E 160 ? 0.3452 0.7593 0.7036 -0.0334 0.0046 0.3544 160 VAL E CB 7390 C CG1 . VAL E 160 ? 0.3562 0.7988 0.6430 -0.0243 0.0066 0.3473 160 VAL E CG1 7391 C CG2 . VAL E 160 ? 0.3272 0.6761 0.7049 -0.0416 -0.0131 0.3316 160 VAL E CG2 7392 N N . GLN E 161 ? 0.3848 0.9508 0.7758 -0.0209 0.0502 0.4332 161 GLN E N 7393 C CA . GLN E 161 ? 0.4127 1.0624 0.7759 -0.0078 0.0732 0.4577 161 GLN E CA 7394 C C . GLN E 161 ? 0.4327 1.1390 0.8448 -0.0131 0.0887 0.5314 161 GLN E C 7395 O O . GLN E 161 ? 0.4597 1.2325 0.8297 -0.0025 0.1020 0.5586 161 GLN E O 7396 C CB . GLN E 161 ? 0.4122 1.0834 0.7889 -0.0009 0.0845 0.4403 161 GLN E CB 7397 C CG . GLN E 161 ? 0.4114 1.0495 0.7278 0.0111 0.0741 0.3738 161 GLN E CG 7398 C CD . GLN E 161 ? 0.4107 1.0727 0.7495 0.0201 0.0847 0.3594 161 GLN E CD 7399 O OE1 . GLN E 161 ? 0.4323 1.1701 0.7688 0.0326 0.1083 0.3794 161 GLN E OE1 7400 N NE2 . GLN E 161 ? 0.3883 0.9904 0.7484 0.0152 0.0675 0.3252 161 GLN E NE2 7401 N N . MET E 162 ? 0.4246 1.1045 0.9273 -0.0294 0.0852 0.5633 162 MET E N 7402 C CA . MET E 162 ? 0.4469 1.1681 1.0159 -0.0380 0.0969 0.6388 162 MET E CA 7403 C C . MET E 162 ? 0.4589 1.1789 1.0052 -0.0367 0.0887 0.6639 162 MET E C 7404 O O . MET E 162 ? 0.4877 1.2735 1.0358 -0.0331 0.1030 0.7234 162 MET E O 7405 C CB . MET E 162 ? 0.4348 1.1102 1.1130 -0.0572 0.0876 0.6550 162 MET E CB 7406 C CG . MET E 162 ? 0.4724 1.1931 1.2391 -0.0684 0.1017 0.7374 162 MET E CG 7407 S SD . MET E 162 ? 0.4932 1.1355 1.3891 -0.0915 0.0785 0.7493 162 MET E SD 7408 C CE . MET E 162 ? 0.4817 1.0644 1.3457 -0.0873 0.0564 0.7316 162 MET E CE 7409 N N . LEU E 163 ? 0.4407 1.0908 0.9666 -0.0389 0.0660 0.6205 163 LEU E N 7410 C CA . LEU E 163 ? 0.4496 1.0953 0.9559 -0.0366 0.0557 0.6367 163 LEU E CA 7411 C C . LEU E 163 ? 0.4713 1.1795 0.8848 -0.0210 0.0625 0.6345 163 LEU E C 7412 O O . LEU E 163 ? 0.4984 1.2603 0.9083 -0.0166 0.0680 0.6866 163 LEU E O 7413 C CB . LEU E 163 ? 0.4247 0.9869 0.9288 -0.0411 0.0323 0.5852 163 LEU E CB 7414 C CG . LEU E 163 ? 0.4133 0.9127 1.0091 -0.0540 0.0200 0.5870 163 LEU E CG 7415 C CD1 . LEU E 163 ? 0.3908 0.8189 0.9627 -0.0548 0.0019 0.5196 163 LEU E CD1 7416 C CD2 . LEU E 163 ? 0.4327 0.9348 1.0922 -0.0573 0.0161 0.6425 163 LEU E CD2 7417 N N . LEU E 164 ? 0.4640 1.1653 0.8055 -0.0123 0.0602 0.5739 164 LEU E N 7418 C CA . LEU E 164 ? 0.4878 1.2381 0.7400 0.0027 0.0611 0.5551 164 LEU E CA 7419 C C . LEU E 164 ? 0.5257 1.3750 0.7554 0.0153 0.0847 0.5972 164 LEU E C 7420 O O . LEU E 164 ? 0.5563 1.4631 0.7460 0.0241 0.0855 0.6244 164 LEU E O 7421 C CB . LEU E 164 ? 0.4754 1.1870 0.6697 0.0082 0.0517 0.4789 164 LEU E CB 7422 C CG . LEU E 164 ? 0.4560 1.0961 0.6290 0.0018 0.0281 0.4320 164 LEU E CG 7423 C CD1 . LEU E 164 ? 0.4308 1.0057 0.6715 -0.0128 0.0182 0.4414 164 LEU E CD1 7424 C CD2 . LEU E 164 ? 0.4443 1.0514 0.5708 0.0068 0.0219 0.3668 164 LEU E CD2 7425 N N . ASN E 165 ? 0.5262 1.4007 0.7823 0.0168 0.1039 0.6035 165 ASN E N 7426 C CA . ASN E 165 ? 0.5656 1.5417 0.7992 0.0308 0.1307 0.6402 165 ASN E CA 7427 C C . ASN E 165 ? 0.5893 1.6234 0.8751 0.0249 0.1449 0.7312 165 ASN E C 7428 O O . ASN E 165 ? 0.6289 1.7443 0.8670 0.0378 0.1551 0.7657 165 ASN E O 7429 C CB . ASN E 165 ? 0.5595 1.5493 0.8138 0.0349 0.1485 0.6208 165 ASN E CB 7430 C CG . ASN E 165 ? 0.5482 1.4949 0.7466 0.0453 0.1368 0.5363 165 ASN E CG 7431 O OD1 . ASN E 165 ? 0.5339 1.4255 0.6898 0.0445 0.1137 0.4913 165 ASN E OD1 7432 N ND2 . ASN E 165 ? 0.5572 1.5306 0.7617 0.0552 0.1529 0.5171 165 ASN E ND2 7433 N N . ASP E 166 ? 0.5694 1.5614 0.9545 0.0057 0.1436 0.7695 166 ASP E N 7434 C CA . ASP E 166 ? 0.5943 1.6368 1.0511 -0.0025 0.1588 0.8614 166 ASP E CA 7435 C C . ASP E 166 ? 0.5941 1.5952 1.0960 -0.0129 0.1392 0.8999 166 ASP E C 7436 O O . ASP E 166 ? 0.6299 1.6910 1.1227 -0.0074 0.1447 0.9613 166 ASP E O 7437 C CB . ASP E 166 ? 0.5818 1.6169 1.1355 -0.0173 0.1723 0.8859 166 ASP E CB 7438 C CG . ASP E 166 ? 0.5836 1.6610 1.1034 -0.0057 0.1919 0.8485 166 ASP E CG 7439 O OD1 . ASP E 166 ? 0.6184 1.7789 1.0611 0.0145 0.2108 0.8479 166 ASP E OD1 7440 O OD2 . ASP E 166 ? 0.5563 1.5858 1.1281 -0.0155 0.1875 0.8181 166 ASP E OD2 7441 N N . THR E 167 ? 0.5591 1.4616 1.1086 -0.0257 0.1163 0.8635 167 THR E N 7442 C CA . THR E 167 ? 0.5590 1.4145 1.1694 -0.0348 0.0978 0.8957 167 THR E CA 7443 C C . THR E 167 ? 0.5727 1.4431 1.1161 -0.0229 0.0843 0.8934 167 THR E C 7444 O O . THR E 167 ? 0.5949 1.4775 1.1799 -0.0241 0.0788 0.9524 167 THR E O 7445 C CB . THR E 167 ? 0.5219 1.2725 1.1950 -0.0483 0.0770 0.8482 167 THR E CB 7446 O OG1 . THR E 167 ? 0.5126 1.2532 1.2474 -0.0594 0.0859 0.8469 167 THR E OG1 7447 C CG2 . THR E 167 ? 0.5283 1.2357 1.2838 -0.0562 0.0609 0.8867 167 THR E CG2 7448 N N . CYS E 168 ? 0.5640 1.4341 1.0108 -0.0117 0.0775 0.8276 168 CYS E N 7449 C CA . CYS E 168 ? 0.5799 1.4666 0.9649 -0.0016 0.0621 0.8200 168 CYS E CA 7450 C C . CYS E 168 ? 0.6305 1.6192 0.9835 0.0102 0.0732 0.8875 168 CYS E C 7451 O O . CYS E 168 ? 0.6474 1.6466 1.0271 0.0108 0.0624 0.9363 168 CYS E O 7452 C CB . CYS E 168 ? 0.5638 1.4279 0.8601 0.0056 0.0509 0.7349 168 CYS E CB 7453 S SG . CYS E 168 ? 0.5712 1.4198 0.8240 0.0100 0.0233 0.7117 168 CYS E SG 7454 N N . PRO E 169 ? 0.6583 1.7262 0.9541 0.0217 0.0946 0.8909 169 PRO E N 7455 C CA . PRO E 169 ? 0.7125 1.8869 0.9714 0.0349 0.1065 0.9561 169 PRO E CA 7456 C C . PRO E 169 ? 0.7359 1.9371 1.0874 0.0256 0.1182 1.0581 169 PRO E C 7457 O O . PRO E 169 ? 0.7765 2.0361 1.1189 0.0328 0.1153 1.1207 169 PRO E O 7458 C CB . PRO E 169 ? 0.7337 1.9795 0.9257 0.0490 0.1307 0.9313 169 PRO E CB 7459 C CG . PRO E 169 ? 0.6948 1.8677 0.8568 0.0478 0.1199 0.8351 169 PRO E CG 7460 C CD . PRO E 169 ? 0.6468 1.7158 0.8987 0.0269 0.1069 0.8300 169 PRO E CD 7461 N N . LEU E 170 ? 0.7148 1.8732 1.1589 0.0092 0.1290 1.0759 170 LEU E N 7462 C CA . LEU E 170 ? 0.7376 1.9103 1.2879 -0.0031 0.1381 1.1721 170 LEU E CA 7463 C C . LEU E 170 ? 0.7217 1.8100 1.3504 -0.0135 0.1108 1.1848 170 LEU E C 7464 O O . LEU E 170 ? 0.7202 1.7670 1.4630 -0.0294 0.1100 1.2289 170 LEU E O 7465 C CB . LEU E 170 ? 0.7258 1.8939 1.3516 -0.0172 0.1595 1.1871 170 LEU E CB 7466 N N . PHE E 171 ? 0.7135 1.7789 1.2843 -0.0039 0.0879 1.1437 171 PHE E N 7467 C CA . PHE E 171 ? 0.7016 1.6970 1.3350 -0.0085 0.0624 1.1493 171 PHE E CA 7468 C C . PHE E 171 ? 0.7228 1.7604 1.2854 0.0071 0.0462 1.1539 171 PHE E C 7469 O O . PHE E 171 ? 0.7461 1.7909 1.3582 0.0095 0.0344 1.2144 171 PHE E O 7470 C CB . PHE E 171 ? 0.6490 1.5384 1.3022 -0.0173 0.0472 1.0625 171 PHE E CB 7471 C CG . PHE E 171 ? 0.6414 1.4565 1.3727 -0.0214 0.0244 1.0643 171 PHE E CG 7472 C CD1 . PHE E 171 ? 0.6483 1.4182 1.5027 -0.0336 0.0226 1.1066 171 PHE E CD1 7473 C CD2 . PHE E 171 ? 0.6296 1.4202 1.3169 -0.0126 0.0043 1.0207 171 PHE E CD2 7474 C CE1 . PHE E 171 ? 0.6481 1.3486 1.5774 -0.0341 0.0012 1.1020 171 PHE E CE1 7475 C CE2 . PHE E 171 ? 0.6219 1.3488 1.3829 -0.0133 -0.0147 1.0195 171 PHE E CE2 7476 C CZ . PHE E 171 ? 0.6329 1.3140 1.5135 -0.0226 -0.0162 1.0580 171 PHE E CZ 7477 N N . VAL E 172 ? 0.7167 1.7821 1.1688 0.0178 0.0439 1.0894 172 VAL E N 7478 C CA . VAL E 172 ? 0.7386 1.8509 1.1149 0.0324 0.0263 1.0831 172 VAL E CA 7479 C C . VAL E 172 ? 0.7994 2.0236 1.1498 0.0446 0.0366 1.1690 172 VAL E C 7480 O O . VAL E 172 ? 0.8274 2.0827 1.1749 0.0529 0.0191 1.2089 172 VAL E O 7481 C CB . VAL E 172 ? 0.7229 1.8346 0.9937 0.0393 0.0196 0.9882 172 VAL E CB 7482 C CG1 . VAL E 172 ? 0.7478 1.9311 0.9491 0.0482 0.0433 0.9783 172 VAL E CG1 7483 C CG2 . VAL E 172 ? 0.7412 1.8815 0.9539 0.0500 -0.0058 0.9723 172 VAL E CG2 7484 N N . ARG E 173 ? 0.8223 2.1107 1.1557 0.0465 0.0652 1.1995 173 ARG E N 7485 C CA . ARG E 173 ? 0.8849 2.2886 1.1956 0.0581 0.0806 1.2889 173 ARG E CA 7486 C C . ARG E 173 ? 0.9035 2.2972 1.3265 0.0492 0.0779 1.3905 173 ARG E C 7487 O O . ARG E 173 ? 0.9563 2.4281 1.3677 0.0598 0.0756 1.4682 173 ARG E O 7488 C CB . ARG E 173 ? 0.9043 2.3775 1.1843 0.0614 0.1161 1.2987 173 ARG E CB 7489 C CG . ARG E 173 ? 0.9055 2.4159 1.0648 0.0773 0.1200 1.2103 173 ARG E CG 7490 C CD . ARG E 173 ? 0.9674 2.5885 1.0214 0.1006 0.1146 1.2248 173 ARG E CD 7491 N N . GLY E 174 ? 0.8629 2.1600 1.3959 0.0304 0.0761 1.3880 174 GLY E N 7492 C CA . GLY E 174 ? 0.8752 2.1375 1.5309 0.0210 0.0676 1.4689 174 GLY E CA 7493 C C . GLY E 174 ? 0.8707 2.0959 1.5337 0.0290 0.0349 1.4600 174 GLY E C 7494 O O . GLY E 174 ? 0.9097 2.1614 1.6253 0.0335 0.0257 1.5435 174 GLY E O 7495 N N . LEU E 175 ? 0.8247 1.9914 1.4386 0.0310 0.0176 1.3613 175 LEU E N 7496 C CA . LEU E 175 ? 0.8152 1.9501 1.4301 0.0390 -0.0124 1.3404 175 LEU E CA 7497 C C . LEU E 175 ? 0.8616 2.0967 1.3928 0.0573 -0.0230 1.3749 175 LEU E C 7498 O O . LEU E 175 ? 0.8821 2.1230 1.4481 0.0651 -0.0443 1.4164 175 LEU E O 7499 C CB . LEU E 175 ? 0.7579 1.8157 1.3368 0.0352 -0.0243 1.2282 175 LEU E CB 7500 N N . LEU E 176 ? 0.8818 2.1973 1.3048 0.0655 -0.0095 1.3558 176 LEU E N 7501 C CA . LEU E 176 ? 0.9336 2.3551 1.2643 0.0844 -0.0198 1.3810 176 LEU E CA 7502 C C . LEU E 176 ? 0.9979 2.5043 1.3616 0.0918 -0.0118 1.5045 176 LEU E C 7503 O O . LEU E 176 ? 1.0413 2.6154 1.3675 0.1068 -0.0309 1.5439 176 LEU E O 7504 C CB . LEU E 176 ? 0.9437 2.4258 1.1508 0.0931 -0.0075 1.3173 176 LEU E CB 7505 C CG . LEU E 176 ? 0.8959 2.3185 1.0450 0.0905 -0.0215 1.1977 176 LEU E CG 7506 C CD1 . LEU E 176 ? 0.9110 2.3859 0.9635 0.0985 -0.0030 1.1456 176 LEU E CD1 7507 C CD2 . LEU E 176 ? 0.8996 2.3286 1.0111 0.0985 -0.0569 1.1672 176 LEU E CD2 7508 N N . GLU E 177 ? 1.0061 2.5115 1.4423 0.0808 0.0151 1.5673 177 GLU E N 7509 C CA . GLU E 177 ? 1.0677 2.6442 1.5571 0.0839 0.0249 1.6953 177 GLU E CA 7510 C C . GLU E 177 ? 1.0712 2.5912 1.6691 0.0820 -0.0013 1.7497 177 GLU E C 7511 O O . GLU E 177 ? 1.1272 2.7158 1.7277 0.0946 -0.0124 1.8343 177 GLU E O 7512 C CB . GLU E 177 ? 1.0724 2.6529 1.6290 0.0686 0.0602 1.7461 177 GLU E CB 7513 C CG . GLU E 177 ? 1.0997 2.7826 1.5578 0.0765 0.0927 1.7407 177 GLU E CG 7514 C CD . GLU E 177 ? 1.1094 2.8105 1.6485 0.0612 0.1281 1.8101 177 GLU E CD 7515 O OE1 . GLU E 177 ? 1.1531 2.8852 1.7763 0.0560 0.1339 1.9245 177 GLU E OE1 7516 O OE2 . GLU E 177 ? 1.0739 2.7601 1.5974 0.0542 0.1494 1.7525 177 GLU E OE2 7517 N N . ALA E 178 ? 1.0148 2.4121 1.7015 0.0683 -0.0118 1.6994 178 ALA E N 7518 C CA . ALA E 178 ? 1.0154 2.3456 1.8188 0.0675 -0.0356 1.7388 178 ALA E CA 7519 C C . ALA E 178 ? 1.0086 2.3356 1.7709 0.0831 -0.0687 1.6985 178 ALA E C 7520 O O . ALA E 178 ? 1.0395 2.3684 1.8669 0.0922 -0.0892 1.7610 178 ALA E O 7521 C CB . ALA E 178 ? 0.9641 2.1702 1.8773 0.0491 -0.0337 1.6958 178 ALA E CB 7522 N N . GLY E 179 ? 0.9710 2.2942 1.6319 0.0859 -0.0744 1.5966 179 GLY E N 7523 C CA . GLY E 179 ? 0.9593 2.2796 1.5824 0.0977 -0.1053 1.5497 179 GLY E CA 7524 C C . GLY E 179 ? 1.0072 2.4435 1.5166 0.1149 -0.1175 1.5652 179 GLY E C 7525 O O . GLY E 179 ? 0.9913 2.4328 1.4358 0.1209 -0.1388 1.4957 179 GLY E O 7526 N N . LYS E 180 ? 1.0700 2.6023 1.5578 0.1227 -0.1048 1.6570 180 LYS E N 7527 C CA . LYS E 180 ? 1.1279 2.7842 1.5022 0.1414 -0.1155 1.6782 180 LYS E CA 7528 C C . LYS E 180 ? 1.1463 2.8220 1.5277 0.1554 -0.1551 1.6921 180 LYS E C 7529 O O . LYS E 180 ? 1.1573 2.8856 1.4423 0.1659 -0.1761 1.6390 180 LYS E O 7530 C CB . LYS E 180 ? 1.1973 2.9547 1.5620 0.1476 -0.0920 1.7890 180 LYS E CB 7531 N N . SER E 181 ? 1.1512 2.7825 1.6532 0.1557 -0.1667 1.7608 181 SER E N 7532 C CA . SER E 181 ? 1.1748 2.8295 1.7023 0.1712 -0.2037 1.7917 181 SER E CA 7533 C C . SER E 181 ? 1.1172 2.7091 1.6393 0.1699 -0.2282 1.6874 181 SER E C 7534 O O . SER E 181 ? 1.1366 2.7842 1.6104 0.1828 -0.2584 1.6744 181 SER E O 7535 C CB . SER E 181 ? 1.1991 2.8175 1.8695 0.1732 -0.2080 1.8948 181 SER E CB 7536 N N . ASP E 182 ? 1.0502 2.5315 1.6233 0.1540 -0.2155 1.6154 182 ASP E N 7537 C CA . ASP E 182 ? 0.9951 2.4133 1.5706 0.1508 -0.2334 1.5187 182 ASP E CA 7538 C C . ASP E 182 ? 0.9859 2.4487 1.4325 0.1496 -0.2407 1.4326 182 ASP E C 7539 O O . ASP E 182 ? 0.9821 2.4634 1.4060 0.1556 -0.2690 1.3942 182 ASP E O 7540 C CB . ASP E 182 ? 0.9321 2.2272 1.5893 0.1353 -0.2161 1.4668 182 ASP E CB 7541 C CG . ASP E 182 ? 0.9357 2.1712 1.7358 0.1395 -0.2217 1.5265 182 ASP E CG 7542 O OD1 . ASP E 182 ? 0.8852 2.0315 1.7523 0.1357 -0.2244 1.4709 182 ASP E OD1 7543 O OD2 . ASP E 182 ? 0.9878 2.2664 1.8348 0.1477 -0.2236 1.6289 182 ASP E OD2 7544 N N . LEU E 183 ? 0.9856 2.4666 1.3550 0.1422 -0.2163 1.4031 183 LEU E N 7545 C CA . LEU E 183 ? 0.9850 2.5069 1.2342 0.1421 -0.2223 1.3207 183 LEU E CA 7546 C C . LEU E 183 ? 1.0514 2.6927 1.2187 0.1601 -0.2488 1.3479 183 LEU E C 7547 O O . LEU E 183 ? 1.0520 2.7185 1.1469 0.1615 -0.2703 1.2756 183 LEU E O 7548 C CB . LEU E 183 ? 0.9778 2.4985 1.1706 0.1342 -0.1890 1.2914 183 LEU E CB 7549 C CG . LEU E 183 ? 0.9131 2.3232 1.1611 0.1159 -0.1650 1.2431 183 LEU E CG 7550 C CD1 . LEU E 183 ? 0.9211 2.3527 1.1397 0.1121 -0.1309 1.2588 183 LEU E CD1 7551 C CD2 . LEU E 183 ? 0.8602 2.2074 1.0771 0.1062 -0.1753 1.1331 183 LEU E CD2 7552 N N . GLU E 184 ? 1.1114 2.8269 1.2933 0.1734 -0.2489 1.4528 184 GLU E N 7553 C CA . GLU E 184 ? 1.1832 3.0223 1.2864 0.1929 -0.2747 1.4898 184 GLU E CA 7554 C C . GLU E 184 ? 1.1989 3.0517 1.3663 0.2037 -0.3114 1.5372 184 GLU E C 7555 O O . GLU E 184 ? 1.2653 3.2224 1.3907 0.2216 -0.3336 1.5961 184 GLU E O 7556 C CB . GLU E 184 ? 1.2517 3.1861 1.3116 0.2038 -0.2515 1.5788 184 GLU E CB 7557 C CG . GLU E 184 ? 1.2625 3.2337 1.2177 0.2024 -0.2244 1.5238 184 GLU E CG 7558 C CD . GLU E 184 ? 1.3265 3.3873 1.2549 0.2116 -0.1935 1.6168 184 GLU E CD 7559 O OE1 . GLU E 184 ? 1.3856 3.5250 1.3265 0.2253 -0.2033 1.7193 184 GLU E OE1 7560 O OE2 . GLU E 184 ? 1.3193 3.3754 1.2160 0.2055 -0.1590 1.5898 184 GLU E OE2 7561 N N . LYS E 185 ? 1.1400 2.8924 1.4082 0.1946 -0.3180 1.5104 185 LYS E N 7562 C CA . LYS E 185 ? 1.1481 2.9057 1.4886 0.2057 -0.3519 1.5462 185 LYS E CA 7563 C C . LYS E 185 ? 1.1481 2.9505 1.4236 0.2094 -0.3881 1.4746 185 LYS E C 7564 O O . LYS E 185 ? 1.0921 2.8339 1.3588 0.1954 -0.3888 1.3779 185 LYS E O 7565 C CB . LYS E 185 ? 1.0896 2.7279 1.5633 0.1973 -0.3440 1.5391 185 LYS E CB 7566 N N . GLN E 186 ? 2.2671 2.9152 0.8357 0.3602 0.7454 0.8367 186 GLN E N 7567 C CA . GLN E 186 ? 2.2063 2.9902 0.7890 0.4046 0.6790 0.8222 186 GLN E CA 7568 C C . GLN E 186 ? 2.2132 3.0125 0.7068 0.5015 0.5909 0.8759 186 GLN E C 7569 O O . GLN E 186 ? 2.3727 3.0341 0.6782 0.5478 0.5881 0.9301 186 GLN E O 7570 C CB . GLN E 186 ? 2.3692 3.1268 0.7897 0.3811 0.7177 0.7949 186 GLN E CB 7571 C CG . GLN E 186 ? 2.2788 3.1377 0.8664 0.3018 0.7704 0.7112 186 GLN E CG 7572 C CD . GLN E 186 ? 2.1486 3.1834 0.8447 0.3238 0.7120 0.6737 186 GLN E CD 7573 O OE1 . GLN E 186 ? 1.9873 3.1280 0.9145 0.2852 0.7205 0.6209 186 GLN E OE1 7574 N NE2 . GLN E 186 ? 2.2305 3.2950 0.7606 0.3863 0.6523 0.6984 186 GLN E NE2 7575 N N . GLU E 187 ? 2.0499 3.0135 0.6835 0.5296 0.5230 0.8559 187 GLU E N 7576 C CA . GLU E 187 ? 2.0414 3.0565 0.6209 0.6171 0.4402 0.8870 187 GLU E CA 7577 C C . GLU E 187 ? 1.9960 3.1745 0.5978 0.6418 0.3884 0.8461 187 GLU E C 7578 O O . GLU E 187 ? 1.8698 3.1610 0.6296 0.5883 0.3993 0.7934 187 GLU E O 7579 C CB . GLU E 187 ? 1.8818 2.9395 0.6173 0.6204 0.4086 0.9006 187 GLU E CB 7580 C CG . GLU E 187 ? 1.9264 2.8369 0.6364 0.6006 0.4521 0.9385 187 GLU E CG 7581 C CD . GLU E 187 ? 2.1327 2.8834 0.6113 0.6637 0.4567 0.9899 187 GLU E CD 7582 O OE1 . GLU E 187 ? 2.1669 2.9494 0.5723 0.7476 0.3926 1.0087 187 GLU E OE1 7583 O OE2 . GLU E 187 ? 2.2677 2.8572 0.6400 0.6288 0.5258 1.0084 187 GLU E OE2 7584 N N . TRP E 192 ? 1.2792 4.2547 0.5575 0.8996 -0.1570 0.3289 192 TRP E N 7585 C CA . TRP E 192 ? 1.2271 4.4165 0.5921 0.9090 -0.1936 0.2392 192 TRP E CA 7586 C C . TRP E 192 ? 1.1190 4.4204 0.6020 0.7891 -0.1539 0.1634 192 TRP E C 7587 O O . TRP E 192 ? 1.0503 4.2381 0.5874 0.6983 -0.1021 0.1943 192 TRP E O 7588 C CB . TRP E 192 ? 1.1983 4.3633 0.6049 0.9426 -0.2083 0.2543 192 TRP E CB 7589 N N . LEU E 193 ? 1.1164 4.6391 0.6380 0.7911 -0.1804 0.0629 193 LEU E N 7590 C CA . LEU E 193 ? 1.0403 4.6779 0.6600 0.6763 -0.1394 -0.0216 193 LEU E CA 7591 C C . LEU E 193 ? 0.9696 4.7477 0.6932 0.6327 -0.1401 -0.0988 193 LEU E C 7592 O O . LEU E 193 ? 0.9841 4.8529 0.7154 0.7092 -0.1856 -0.1218 193 LEU E O 7593 C CB . LEU E 193 ? 1.0940 4.8879 0.6830 0.6821 -0.1528 -0.0951 193 LEU E CB 7594 N N . SER E 194 ? 0.9068 4.6941 0.7079 0.5069 -0.0861 -0.1410 194 SER E N 7595 C CA . SER E 194 ? 0.8559 4.7599 0.7427 0.4351 -0.0710 -0.2187 194 SER E CA 7596 C C . SER E 194 ? 0.8355 4.8053 0.7808 0.3063 -0.0164 -0.2977 194 SER E C 7597 O O . SER E 194 ? 0.8496 4.7410 0.7807 0.2693 0.0142 -0.2786 194 SER E O 7598 C CB . SER E 194 ? 0.8204 4.5628 0.7168 0.4028 -0.0549 -0.1437 194 SER E CB 7599 N N . SER E 195 ? 0.8131 4.9218 0.8238 0.2336 0.0014 -0.3918 195 SER E N 7600 C CA . SER E 195 ? 0.8141 4.9850 0.8733 0.1024 0.0596 -0.4772 195 SER E CA 7601 C C . SER E 195 ? 0.8006 4.9667 0.9004 -0.0093 0.0984 -0.5132 195 SER E C 7602 O O . SER E 195 ? 0.7888 5.1017 0.9196 0.0069 0.0801 -0.5788 195 SER E O 7603 C CB . SER E 195 ? 0.8352 5.2688 0.9209 0.1195 0.0453 -0.6081 195 SER E CB 7604 O OG . SER E 195 ? 0.8270 5.4725 0.9510 0.1800 0.0002 -0.6883 195 SER E OG 7605 N N . VAL E 196 ? 0.8169 4.8105 0.9141 -0.1234 0.1522 -0.4720 196 VAL E N 7606 C CA . VAL E 196 ? 0.8357 4.7834 0.9420 -0.2464 0.1928 -0.4910 196 VAL E CA 7607 C C . VAL E 196 ? 0.8818 4.9218 1.0177 -0.3767 0.2550 -0.6066 196 VAL E C 7608 O O . VAL E 196 ? 0.9074 4.9038 1.0497 -0.4063 0.2841 -0.6146 196 VAL E O 7609 C CB . VAL E 196 ? 0.8508 4.5164 0.9192 -0.2882 0.2028 -0.3528 196 VAL E CB 7610 N N . PRO E 197 ? 0.9015 5.0695 1.0563 -0.4614 0.2827 -0.7044 197 PRO E N 7611 C CA . PRO E 197 ? 0.9626 5.2055 1.1356 -0.6038 0.3528 -0.8194 197 PRO E CA 7612 C C . PRO E 197 ? 1.0439 5.0181 1.1651 -0.7317 0.4061 -0.7420 197 PRO E C 7613 O O . PRO E 197 ? 1.0615 4.8636 1.1737 -0.7220 0.4120 -0.6632 197 PRO E O 7614 C CB . PRO E 197 ? 0.9615 5.4150 1.1671 -0.6483 0.3636 -0.9409 197 PRO E CB 7615 C CG . PRO E 197 ? 0.8917 5.4170 1.1141 -0.5020 0.2903 -0.9025 197 PRO E CG 7616 C CD . PRO E 197 ? 0.8745 5.1413 1.0399 -0.4297 0.2557 -0.7287 197 PRO E CD 7617 N N . LEU E 206 ? 0.8638 4.6768 0.9447 -0.1166 0.1988 -0.4177 206 LEU E N 7618 C CA . LEU E 206 ? 0.8696 4.6782 0.9068 -0.0098 0.1652 -0.3764 206 LEU E CA 7619 C C . LEU E 206 ? 0.8600 4.4255 0.8722 0.0285 0.1595 -0.2383 206 LEU E C 7620 O O . LEU E 206 ? 0.8674 4.2663 0.9147 -0.0386 0.2004 -0.1938 206 LEU E O 7621 C CB . LEU E 206 ? 0.9066 4.7896 0.9544 -0.0472 0.2020 -0.4513 206 LEU E CB 7622 N N . VAL E 207 ? 0.8541 4.4008 0.8096 0.1378 0.1085 -0.1748 207 VAL E N 7623 C CA . VAL E 207 ? 0.8473 4.1812 0.7761 0.1766 0.1029 -0.0520 207 VAL E CA 7624 C C . VAL E 207 ? 0.8772 4.2097 0.7203 0.2994 0.0578 -0.0054 207 VAL E C 7625 O O . VAL E 207 ? 0.8935 4.3665 0.7010 0.3704 0.0126 -0.0433 207 VAL E O 7626 C CB . VAL E 207 ? 0.8137 4.0408 0.7646 0.1407 0.0987 0.0073 207 VAL E CB 7627 N N . CYS E 208 ? 0.8972 4.0651 0.7084 0.3230 0.0715 0.0745 208 CYS E N 7628 C CA . CYS E 208 ? 0.9499 4.0643 0.6612 0.4264 0.0393 0.1339 208 CYS E CA 7629 C C . CYS E 208 ? 0.9339 3.8430 0.6433 0.4313 0.0506 0.2379 208 CYS E C 7630 O O . CYS E 208 ? 0.9128 3.7030 0.6781 0.3726 0.0903 0.2686 208 CYS E O 7631 C CB . CYS E 208 ? 1.0194 4.1541 0.6683 0.4455 0.0524 0.1125 208 CYS E CB 7632 N N . HIS E 209 ? 0.9493 3.8225 0.6029 0.5019 0.0158 0.2860 209 HIS E N 7633 C CA . HIS E 209 ? 0.9371 3.6311 0.5863 0.5039 0.0261 0.3769 209 HIS E CA 7634 C C . HIS E 209 ? 1.0200 3.6068 0.5566 0.5865 0.0198 0.4377 209 HIS E C 7635 O O . HIS E 209 ? 1.0858 3.7185 0.5362 0.6720 -0.0180 0.4355 209 HIS E O 7636 C CB . HIS E 209 ? 0.8888 3.5899 0.5755 0.4868 0.0082 0.3877 209 HIS E CB 7637 C CG . HIS E 209 ? 0.9062 3.7581 0.5681 0.5451 -0.0310 0.3322 209 HIS E CG 7638 N ND1 . HIS E 209 ? 0.9616 3.7862 0.5520 0.6406 -0.0614 0.3635 209 HIS E ND1 7639 C CD2 . HIS E 209 ? 0.8833 3.9163 0.5926 0.5207 -0.0428 0.2413 209 HIS E CD2 7640 C CE1 . HIS E 209 ? 0.9669 3.9548 0.5722 0.6813 -0.0955 0.2942 209 HIS E CE1 7641 N NE2 . HIS E 209 ? 0.9151 4.0406 0.5941 0.6072 -0.0840 0.2156 209 HIS E NE2 7642 N N . VAL E 210 ? 1.0279 3.4685 0.5675 0.5591 0.0583 0.4887 210 VAL E N 7643 C CA . VAL E 210 ? 1.1170 3.4280 0.5460 0.6149 0.0685 0.5471 210 VAL E CA 7644 C C . VAL E 210 ? 1.0916 3.2664 0.5380 0.6081 0.0778 0.6152 210 VAL E C 7645 O O . VAL E 210 ? 1.0133 3.1463 0.5667 0.5401 0.0959 0.6297 210 VAL E O 7646 C CB . VAL E 210 ? 1.1609 3.4120 0.5768 0.5819 0.1160 0.5425 210 VAL E CB 7647 C CG1 . VAL E 210 ? 1.2951 3.4378 0.5532 0.6411 0.1247 0.5868 210 VAL E CG1 7648 C CG2 . VAL E 210 ? 1.1587 3.5515 0.5998 0.5538 0.1190 0.4633 210 VAL E CG2 7649 N N . SER E 211 ? 1.1700 3.2736 0.5084 0.6791 0.0635 0.6563 211 SER E N 7650 C CA . SER E 211 ? 1.1564 3.1429 0.5013 0.6739 0.0734 0.7118 211 SER E CA 7651 C C . SER E 211 ? 1.2791 3.1096 0.4952 0.7209 0.0979 0.7653 211 SER E C 7652 O O . SER E 211 ? 1.3979 3.2167 0.4836 0.7949 0.0810 0.7690 211 SER E O 7653 C CB . SER E 211 ? 1.1256 3.1853 0.4861 0.7013 0.0354 0.6976 211 SER E CB 7654 O OG . SER E 211 ? 1.1241 3.0735 0.4821 0.6924 0.0485 0.7457 211 SER E OG 7655 N N . GLY E 212 ? 1.2614 2.9708 0.5105 0.6752 0.1364 0.8059 212 GLY E N 7656 C CA . GLY E 212 ? 1.3803 2.9275 0.5123 0.7013 0.1721 0.8534 212 GLY E CA 7657 C C . GLY E 212 ? 1.4453 2.9159 0.5366 0.6713 0.2232 0.8549 212 GLY E C 7658 O O . GLY E 212 ? 1.5825 2.9202 0.5374 0.6954 0.2554 0.8868 212 GLY E O 7659 N N . PHE E 213 ? 1.3594 2.9046 0.5678 0.6134 0.2364 0.8171 213 PHE E N 7660 C CA . PHE E 213 ? 1.4207 2.9194 0.6060 0.5800 0.2890 0.7996 213 PHE E CA 7661 C C . PHE E 213 ? 1.3724 2.8005 0.6758 0.5108 0.3407 0.8036 213 PHE E C 7662 O O . PHE E 213 ? 1.2559 2.7140 0.7064 0.4761 0.3246 0.8087 213 PHE E O 7663 C CB . PHE E 213 ? 1.3896 3.0174 0.6163 0.5662 0.2785 0.7415 213 PHE E CB 7664 C CG . PHE E 213 ? 1.2425 2.9509 0.6680 0.5036 0.2778 0.7079 213 PHE E CG 7665 C CD1 . PHE E 213 ? 1.1435 2.9411 0.6495 0.5022 0.2293 0.7026 213 PHE E CD1 7666 C CD2 . PHE E 213 ? 1.2193 2.9081 0.7485 0.4447 0.3278 0.6785 213 PHE E CD2 7667 C CE1 . PHE E 213 ? 1.0414 2.8878 0.7092 0.4423 0.2278 0.6796 213 PHE E CE1 7668 C CE2 . PHE E 213 ? 1.1093 2.8527 0.8197 0.3950 0.3231 0.6527 213 PHE E CE2 7669 C CZ . PHE E 213 ? 1.0278 2.8410 0.7980 0.3936 0.2715 0.6585 213 PHE E CZ 7670 N N . TYR E 214 ? 1.4775 2.8146 0.7105 0.4897 0.4014 0.7985 214 TYR E N 7671 C CA . TYR E 214 ? 1.4481 2.7324 0.7982 0.4247 0.4580 0.7858 214 TYR E CA 7672 C C . TYR E 214 ? 1.5411 2.8034 0.8469 0.3908 0.5215 0.7410 214 TYR E C 7673 O O . TYR E 214 ? 1.6864 2.8980 0.7973 0.4178 0.5348 0.7482 214 TYR E O 7674 C CB . TYR E 214 ? 1.5038 2.6646 0.7955 0.4225 0.4840 0.8288 214 TYR E CB 7675 C CG . TYR E 214 ? 1.4178 2.5715 0.8871 0.3611 0.5128 0.8172 214 TYR E CG 7676 C CD1 . TYR E 214 ? 1.4918 2.5678 0.9597 0.3140 0.5895 0.7936 214 TYR E CD1 7677 C CD2 . TYR E 214 ? 1.2739 2.5028 0.9107 0.3478 0.4615 0.8269 214 TYR E CD2 7678 C CE1 . TYR E 214 ? 1.4141 2.5047 1.0637 0.2627 0.6102 0.7744 214 TYR E CE1 7679 C CE2 . TYR E 214 ? 1.2083 2.4395 1.0105 0.2991 0.4748 0.8189 214 TYR E CE2 7680 C CZ . TYR E 214 ? 1.2721 2.4427 1.0901 0.2606 0.5471 0.7899 214 TYR E CZ 7681 O OH . TYR E 214 ? 1.2069 2.3997 1.2059 0.2173 0.5549 0.7739 214 TYR E OH 7682 N N . PRO E 215 ? 1.4707 2.7700 0.9551 0.3317 0.5595 0.6930 215 PRO E N 7683 C CA . PRO E 215 ? 1.3239 2.6747 1.0389 0.3035 0.5376 0.6873 215 PRO E CA 7684 C C . PRO E 215 ? 1.2216 2.6869 1.0593 0.3034 0.4922 0.6608 215 PRO E C 7685 O O . PRO E 215 ? 1.2461 2.7683 0.9892 0.3296 0.4696 0.6482 215 PRO E O 7686 C CB . PRO E 215 ? 1.3444 2.6610 1.1704 0.2463 0.6117 0.6408 215 PRO E CB 7687 C CG . PRO E 215 ? 1.4821 2.7660 1.1578 0.2308 0.6752 0.6012 215 PRO E CG 7688 C CD . PRO E 215 ? 1.5582 2.8415 1.0191 0.2871 0.6322 0.6366 215 PRO E CD 7689 N N . LYS E 216 ? 1.1222 2.6174 1.1671 0.2731 0.4786 0.6514 216 LYS E N 7690 C CA . LYS E 216 ? 1.0394 2.6154 1.2074 0.2650 0.4373 0.6335 216 LYS E CA 7691 C C . LYS E 216 ? 1.0675 2.7012 1.2447 0.2486 0.4712 0.5654 216 LYS E C 7692 O O . LYS E 216 ? 1.0408 2.7451 1.2027 0.2553 0.4375 0.5529 216 LYS E O 7693 C CB . LYS E 216 ? 0.9598 2.5291 1.3394 0.2388 0.4147 0.6448 216 LYS E CB 7694 N N . PRO E 217 ? 1.1263 2.7369 1.3304 0.2189 0.5428 0.5130 217 PRO E N 7695 C CA . PRO E 217 ? 1.1580 2.8277 1.3745 0.1937 0.5810 0.4400 217 PRO E CA 7696 C C . PRO E 217 ? 1.2203 2.9433 1.2353 0.2199 0.5626 0.4360 217 PRO E C 7697 O O . PRO E 217 ? 1.3310 3.0193 1.1684 0.2306 0.5898 0.4390 217 PRO E O 7698 C CB . PRO E 217 ? 1.2326 2.8573 1.4719 0.1546 0.6674 0.3883 217 PRO E CB 7699 C CG . PRO E 217 ? 1.1955 2.7598 1.5422 0.1524 0.6673 0.4209 217 PRO E CG 7700 C CD . PRO E 217 ? 1.1674 2.7068 1.4073 0.1962 0.5983 0.5058 217 PRO E CD 7701 N N . VAL E 218 ? 1.1616 2.9670 1.2036 0.2286 0.5147 0.4286 218 VAL E N 7702 C CA . VAL E 218 ? 1.2076 3.0976 1.0948 0.2540 0.4884 0.4113 218 VAL E CA 7703 C C . VAL E 218 ? 1.1524 3.1431 1.1427 0.2227 0.4800 0.3536 218 VAL E C 7704 O O . VAL E 218 ? 1.2022 3.2608 1.1602 0.1976 0.5128 0.2861 218 VAL E O 7705 C CB . VAL E 218 ? 1.2079 3.0966 0.9647 0.3161 0.4223 0.4778 218 VAL E CB 7706 C CG1 . VAL E 218 ? 1.1907 3.2070 0.8981 0.3376 0.3733 0.4507 218 VAL E CG1 7707 C CG2 . VAL E 218 ? 1.3286 3.1349 0.8965 0.3531 0.4369 0.5148 218 VAL E CG2 7708 N N . PHE E 237 ? 0.7479 2.5860 1.0514 0.1581 0.1191 0.7209 237 PHE E N 7709 C CA . PHE E 237 ? 0.7469 2.5385 1.0187 0.1968 0.1238 0.7584 237 PHE E CA 7710 C C . PHE E 237 ? 0.7334 2.5012 0.9665 0.1862 0.0827 0.8143 237 PHE E C 7711 O O . PHE E 237 ? 0.7295 2.4490 1.0350 0.1470 0.0502 0.8562 237 PHE E O 7712 C CB . PHE E 237 ? 0.7516 2.4734 1.1440 0.1941 0.1471 0.7658 237 PHE E CB 7713 C CG . PHE E 237 ? 0.7759 2.5177 1.1895 0.2052 0.2019 0.7046 237 PHE E CG 7714 C CD1 . PHE E 237 ? 0.8084 2.5543 1.1226 0.2410 0.2406 0.6866 237 PHE E CD1 7715 C CD2 . PHE E 237 ? 0.7817 2.5277 1.3058 0.1748 0.2179 0.6645 237 PHE E CD2 7716 C CE1 . PHE E 237 ? 0.8459 2.6106 1.1633 0.2406 0.2933 0.6283 237 PHE E CE1 7717 C CE2 . PHE E 237 ? 0.8090 2.5790 1.3531 0.1762 0.2750 0.5992 237 PHE E CE2 7718 C CZ . PHE E 237 ? 0.8403 2.6248 1.2775 0.2062 0.3121 0.5806 237 PHE E CZ 7719 N N . LEU E 238 ? 0.7391 2.5387 0.8555 0.2218 0.0828 0.8138 238 LEU E N 7720 C CA . LEU E 238 ? 0.7320 2.5193 0.8016 0.2094 0.0532 0.8532 238 LEU E CA 7721 C C . LEU E 238 ? 0.7568 2.5031 0.7474 0.2583 0.0733 0.8713 238 LEU E C 7722 O O . LEU E 238 ? 0.7903 2.5494 0.7043 0.3115 0.0986 0.8459 238 LEU E O 7723 C CB . LEU E 238 ? 0.7260 2.5995 0.7361 0.1935 0.0340 0.8228 238 LEU E CB 7724 C CG . LEU E 238 ? 0.7206 2.6431 0.7758 0.1426 0.0272 0.7875 238 LEU E CG 7725 C CD1 . LEU E 238 ? 0.7214 2.7510 0.7091 0.1344 0.0207 0.7382 238 LEU E CD1 7726 C CD2 . LEU E 238 ? 0.7295 2.5779 0.8594 0.0743 0.0001 0.8341 238 LEU E CD2 7727 N N . PRO E 239 ? 0.7557 2.4468 0.7561 0.2372 0.0618 0.9159 239 PRO E N 7728 C CA . PRO E 239 ? 0.7938 2.4258 0.7245 0.2726 0.0903 0.9321 239 PRO E CA 7729 C C . PRO E 239 ? 0.8240 2.4754 0.6375 0.3083 0.0891 0.9245 239 PRO E C 7730 O O . PRO E 239 ? 0.8014 2.5193 0.6061 0.2889 0.0613 0.9106 239 PRO E O 7731 C CB . PRO E 239 ? 0.7782 2.3623 0.7812 0.2246 0.0749 0.9739 239 PRO E CB 7732 C CG . PRO E 239 ? 0.7467 2.3715 0.7937 0.1709 0.0248 0.9886 239 PRO E CG 7733 C CD . PRO E 239 ? 0.7341 2.4095 0.8045 0.1740 0.0214 0.9539 239 PRO E CD 7734 N N . ASN E 240 ? 0.8881 2.4750 0.6135 0.3580 0.1225 0.9305 240 ASN E N 7735 C CA . ASN E 240 ? 0.9391 2.5194 0.5598 0.4023 0.1239 0.9268 240 ASN E CA 7736 C C . ASN E 240 ? 0.9775 2.4643 0.5685 0.3865 0.1482 0.9582 240 ASN E C 7737 O O . ASN E 240 ? 0.9902 2.4076 0.6120 0.3616 0.1752 0.9782 240 ASN E O 7738 C CB . ASN E 240 ? 1.0173 2.5900 0.5339 0.4848 0.1378 0.9074 240 ASN E CB 7739 N N . ALA E 241 ? 1.0024 2.4943 0.5398 0.3985 0.1433 0.9532 241 ALA E N 7740 C CA . ALA E 241 ? 1.0397 2.4548 0.5510 0.3717 0.1681 0.9737 241 ALA E CA 7741 C C . ALA E 241 ? 1.1388 2.4208 0.5718 0.4046 0.2218 0.9917 241 ALA E C 7742 O O . ALA E 241 ? 1.1697 2.3828 0.5943 0.3678 0.2513 1.0055 241 ALA E O 7743 C CB . ALA E 241 ? 1.0578 2.5094 0.5274 0.3834 0.1593 0.9512 241 ALA E CB 7744 N N . ASP E 242 ? 1.2021 2.4466 0.5681 0.4661 0.2371 0.9888 242 ASP E N 7745 C CA . ASP E 242 ? 1.3206 2.4246 0.5907 0.4890 0.2931 1.0063 242 ASP E CA 7746 C C . ASP E 242 ? 1.3021 2.3968 0.6261 0.4560 0.3157 1.0047 242 ASP E C 7747 O O . ASP E 242 ? 1.4079 2.4035 0.6406 0.4764 0.3620 1.0094 242 ASP E O 7748 C CB . ASP E 242 ? 1.4488 2.4922 0.5712 0.5841 0.2965 1.0080 242 ASP E CB 7749 N N . GLU E 243 ? 1.1816 2.3728 0.6520 0.4025 0.2848 0.9964 243 GLU E N 7750 C CA . GLU E 243 ? 1.1505 2.3547 0.7093 0.3730 0.3005 0.9842 243 GLU E CA 7751 C C . GLU E 243 ? 1.2006 2.4084 0.6885 0.4212 0.3117 0.9650 243 GLU E C 7752 O O . GLU E 243 ? 1.2764 2.4130 0.7168 0.4203 0.3621 0.9573 243 GLU E O 7753 C CB . GLU E 243 ? 1.1958 2.3139 0.7734 0.3312 0.3563 0.9870 243 GLU E CB 7754 N N . THR E 244 ? 1.1645 2.4626 0.6438 0.4550 0.2666 0.9513 244 THR E N 7755 C CA . THR E 244 ? 1.2302 2.5444 0.6175 0.5082 0.2684 0.9317 244 THR E CA 7756 C C . THR E 244 ? 1.1474 2.5834 0.6270 0.4935 0.2403 0.8954 244 THR E C 7757 O O . THR E 244 ? 1.1986 2.6631 0.6133 0.5263 0.2437 0.8715 244 THR E O 7758 C CB . THR E 244 ? 1.3129 2.6163 0.5622 0.5854 0.2453 0.9396 244 THR E CB 7759 O OG1 . THR E 244 ? 1.3148 2.5722 0.5566 0.5810 0.2446 0.9613 244 THR E OG1 7760 C CG2 . THR E 244 ? 1.4749 2.6713 0.5577 0.6386 0.2768 0.9527 244 THR E CG2 7761 N N . TRP E 245 ? 1.0359 2.5360 0.6569 0.4412 0.2132 0.8920 245 TRP E N 7762 C CA . TRP E 245 ? 0.9668 2.5655 0.6817 0.4170 0.1907 0.8581 245 TRP E CA 7763 C C . TRP E 245 ? 0.9620 2.6650 0.6239 0.4509 0.1563 0.8265 245 TRP E C 7764 O O . TRP E 245 ? 1.0135 2.7202 0.5704 0.5051 0.1438 0.8298 245 TRP E O 7765 C CB . TRP E 245 ? 0.9860 2.5715 0.7437 0.4031 0.2303 0.8301 245 TRP E CB 7766 C CG . TRP E 245 ? 0.9596 2.4894 0.8411 0.3561 0.2562 0.8398 245 TRP E CG 7767 C CD1 . TRP E 245 ? 1.0172 2.4696 0.8822 0.3501 0.3102 0.8369 245 TRP E CD1 7768 C CD2 . TRP E 245 ? 0.8798 2.4310 0.9226 0.3096 0.2271 0.8497 245 TRP E CD2 7769 N NE1 . TRP E 245 ? 0.9647 2.4075 0.9892 0.3060 0.3164 0.8361 245 TRP E NE1 7770 C CE2 . TRP E 245 ? 0.8857 2.3845 1.0201 0.2860 0.2603 0.8490 245 TRP E CE2 7771 C CE3 . TRP E 245 ? 0.8188 2.4230 0.9310 0.2834 0.1757 0.8592 245 TRP E CE3 7772 C CZ2 . TRP E 245 ? 0.8303 2.3360 1.1340 0.2498 0.2333 0.8600 245 TRP E CZ2 7773 C CZ3 . TRP E 245 ? 0.7780 2.3672 1.0356 0.2423 0.1507 0.8792 245 TRP E CZ3 7774 C CH2 . TRP E 245 ? 0.7825 2.3267 1.1398 0.2320 0.1744 0.8807 245 TRP E CH2 7775 N N . TYR E 246 ? 0.9062 2.6939 0.6511 0.4177 0.1429 0.7911 246 TYR E N 7776 C CA . TYR E 246 ? 0.8900 2.7993 0.6140 0.4311 0.1152 0.7453 246 TYR E CA 7777 C C . TYR E 246 ? 0.8445 2.8081 0.6738 0.3753 0.1199 0.7081 246 TYR E C 7778 O O . TYR E 246 ? 0.8047 2.7229 0.7371 0.3208 0.1190 0.7301 246 TYR E O 7779 C CB . TYR E 246 ? 0.8569 2.8083 0.5747 0.4242 0.0815 0.7514 246 TYR E CB 7780 C CG . TYR E 246 ? 0.8289 2.9196 0.5544 0.4181 0.0574 0.6927 246 TYR E CG 7781 C CD1 . TYR E 246 ? 0.8618 3.0357 0.5096 0.4859 0.0390 0.6579 246 TYR E CD1 7782 C CD2 . TYR E 246 ? 0.7767 2.9139 0.5892 0.3440 0.0532 0.6690 246 TYR E CD2 7783 C CE1 . TYR E 246 ? 0.8348 3.1576 0.5045 0.4770 0.0190 0.5908 246 TYR E CE1 7784 C CE2 . TYR E 246 ? 0.7606 3.0275 0.5783 0.3262 0.0407 0.6054 246 TYR E CE2 7785 C CZ . TYR E 246 ? 0.7821 3.1527 0.5349 0.3912 0.0246 0.5617 246 TYR E CZ 7786 O OH . TYR E 246 ? 0.7644 3.2833 0.5369 0.3702 0.0141 0.4865 246 TYR E OH 7787 N N . LEU E 247 ? 0.8622 2.9203 0.6649 0.3897 0.1230 0.6514 247 LEU E N 7788 C CA . LEU E 247 ? 0.8329 2.9421 0.7280 0.3342 0.1361 0.6053 247 LEU E CA 7789 C C . LEU E 247 ? 0.8335 3.0891 0.6979 0.3369 0.1213 0.5366 247 LEU E C 7790 O O . LEU E 247 ? 0.8706 3.1962 0.6395 0.3984 0.1031 0.5175 247 LEU E O 7791 C CB . LEU E 247 ? 0.8635 2.9252 0.7894 0.3282 0.1805 0.5902 247 LEU E CB 7792 N N . GLN E 248 ? 0.8044 3.1036 0.7513 0.2706 0.1284 0.4977 248 GLN E N 7793 C CA . GLN E 248 ? 0.8042 3.2528 0.7380 0.2549 0.1215 0.4200 248 GLN E CA 7794 C C . GLN E 248 ? 0.8108 3.2877 0.8177 0.1921 0.1576 0.3615 248 GLN E C 7795 O O . GLN E 248 ? 0.8059 3.1791 0.9002 0.1416 0.1779 0.3866 248 GLN E O 7796 C CB . GLN E 248 ? 0.7739 3.2651 0.7135 0.2222 0.0948 0.4185 248 GLN E CB 7797 N N . ALA E 249 ? 0.8315 3.4512 0.8053 0.1979 0.1636 0.2805 249 ALA E N 7798 C CA . ALA E 249 ? 0.8458 3.5142 0.8807 0.1326 0.2037 0.2072 249 ALA E CA 7799 C C . ALA E 249 ? 0.8549 3.7189 0.8547 0.1262 0.1950 0.1120 249 ALA E C 7800 O O . ALA E 249 ? 0.8507 3.7686 0.9009 0.0513 0.2147 0.0544 249 ALA E O 7801 C CB . ALA E 249 ? 0.8804 3.4997 0.9245 0.1429 0.2424 0.1994 249 ALA E CB 7802 N N . GLN F 2 ? 0.4616 0.7619 1.1044 -0.0744 0.1898 0.3196 2 GLN F N 7803 C CA . GLN F 2 ? 0.4521 0.7565 1.0522 -0.0843 0.1679 0.2918 2 GLN F CA 7804 C C . GLN F 2 ? 0.4438 0.7354 1.1041 -0.1112 0.1603 0.2303 2 GLN F C 7805 O O . GLN F 2 ? 0.4552 0.7364 1.2355 -0.1176 0.1838 0.2254 2 GLN F O 7806 C CB . GLN F 2 ? 0.4654 0.7939 1.0816 -0.0598 0.1907 0.3442 2 GLN F CB 7807 C CG . GLN F 2 ? 0.4801 0.8464 0.9964 -0.0244 0.1790 0.3782 2 GLN F CG 7808 C CD . GLN F 2 ? 0.5049 0.9188 1.0297 0.0127 0.2036 0.4309 2 GLN F CD 7809 O OE1 . GLN F 2 ? 0.5087 0.9268 1.1367 0.0124 0.2403 0.4656 2 GLN F OE1 7810 N NE2 . GLN F 2 ? 0.5240 0.9821 0.9506 0.0490 0.1824 0.4358 2 GLN F NE2 7811 N N . LYS F 3 ? 0.4268 0.7287 1.0161 -0.1235 0.1266 0.1846 3 LYS F N 7812 C CA . LYS F 3 ? 0.4209 0.7377 1.0459 -0.1393 0.1132 0.1218 3 LYS F CA 7813 C C . LYS F 3 ? 0.4097 0.7410 0.9942 -0.1435 0.0982 0.1170 3 LYS F C 7814 O O . LYS F 3 ? 0.3990 0.7343 0.8946 -0.1375 0.0807 0.1373 3 LYS F O 7815 C CB . LYS F 3 ? 0.4166 0.7615 0.9994 -0.1394 0.0919 0.0818 3 LYS F CB 7816 N N . THR F 4 ? 0.4140 0.7531 1.0786 -0.1533 0.1038 0.0878 4 THR F N 7817 C CA . THR F 4 ? 0.4056 0.7630 1.0457 -0.1565 0.0931 0.0841 4 THR F CA 7818 C C . THR F 4 ? 0.3931 0.7920 0.9620 -0.1588 0.0616 0.0427 4 THR F C 7819 O O . THR F 4 ? 0.3974 0.8294 0.9780 -0.1588 0.0500 -0.0045 4 THR F O 7820 C CB . THR F 4 ? 0.4149 0.7746 1.1838 -0.1670 0.1095 0.0709 4 THR F CB 7821 O OG1 . THR F 4 ? 0.4087 0.7950 1.1503 -0.1699 0.0965 0.0619 4 THR F OG1 7822 C CG2 . THR F 4 ? 0.4322 0.8024 1.3108 -0.1799 0.1025 -0.0022 4 THR F CG2 7823 N N . PRO F 5 ? 0.3829 0.7900 0.8819 -0.1542 0.0495 0.0639 5 PRO F N 7824 C CA . PRO F 5 ? 0.3734 0.8274 0.8164 -0.1513 0.0257 0.0444 5 PRO F CA 7825 C C . PRO F 5 ? 0.3748 0.8866 0.8551 -0.1543 0.0165 -0.0048 5 PRO F C 7826 O O . PRO F 5 ? 0.3775 0.8819 0.9155 -0.1624 0.0246 -0.0135 5 PRO F O 7827 C CB . PRO F 5 ? 0.3688 0.8010 0.7461 -0.1436 0.0176 0.0874 5 PRO F CB 7828 C CG . PRO F 5 ? 0.3755 0.7756 0.7746 -0.1395 0.0348 0.1090 5 PRO F CG 7829 C CD . PRO F 5 ? 0.3854 0.7676 0.8549 -0.1438 0.0581 0.1106 5 PRO F CD 7830 N N . GLN F 6 ? 0.3755 0.9578 0.8280 -0.1433 0.0000 -0.0335 6 GLN F N 7831 C CA . GLN F 6 ? 0.3795 1.0435 0.8487 -0.1365 -0.0145 -0.0806 6 GLN F CA 7832 C C . GLN F 6 ? 0.3676 1.0643 0.7676 -0.1248 -0.0216 -0.0359 6 GLN F C 7833 O O . GLN F 6 ? 0.3614 1.0519 0.7123 -0.1162 -0.0220 0.0121 6 GLN F O 7834 C CB . GLN F 6 ? 0.3970 1.1485 0.8826 -0.1180 -0.0282 -0.1453 6 GLN F CB 7835 C CG . GLN F 6 ? 0.4173 1.1336 0.9817 -0.1253 -0.0227 -0.1937 6 GLN F CG 7836 C CD . GLN F 6 ? 0.4316 1.0978 1.1124 -0.1491 -0.0158 -0.2242 6 GLN F CD 7837 O OE1 . GLN F 6 ? 0.4407 1.1571 1.1784 -0.1513 -0.0314 -0.2785 6 GLN F OE1 7838 N NE2 . GLN F 6 ? 0.4304 1.0071 1.1585 -0.1642 0.0086 -0.1836 6 GLN F NE2 7839 N N . ILE F 7 ? 0.3663 1.0969 0.7786 -0.1249 -0.0267 -0.0488 7 ILE F N 7840 C CA . ILE F 7 ? 0.3599 1.1173 0.7218 -0.1127 -0.0304 -0.0036 7 ILE F CA 7841 C C . ILE F 7 ? 0.3641 1.2452 0.7281 -0.0929 -0.0433 -0.0371 7 ILE F C 7842 O O . ILE F 7 ? 0.3707 1.2876 0.7858 -0.0988 -0.0512 -0.0960 7 ILE F O 7843 C CB . ILE F 7 ? 0.3569 1.0404 0.7181 -0.1234 -0.0219 0.0278 7 ILE F CB 7844 C CG1 . ILE F 7 ? 0.3609 0.9486 0.7221 -0.1330 -0.0101 0.0515 7 ILE F CG1 7845 C CG2 . ILE F 7 ? 0.3571 1.0519 0.6743 -0.1087 -0.0264 0.0753 7 ILE F CG2 7846 C CD1 . ILE F 7 ? 0.3680 0.9093 0.7445 -0.1347 0.0028 0.0694 7 ILE F CD1 7847 N N . GLN F 8 ? 0.3632 1.3193 0.6841 -0.0665 -0.0453 0.0036 8 GLN F N 7848 C CA . GLN F 8 ? 0.3708 1.4715 0.6833 -0.0354 -0.0550 -0.0141 8 GLN F CA 7849 C C . GLN F 8 ? 0.3647 1.4905 0.6511 -0.0191 -0.0472 0.0646 8 GLN F C 7850 O O . GLN F 8 ? 0.3610 1.4606 0.6365 -0.0124 -0.0378 0.1352 8 GLN F O 7851 C CB . GLN F 8 ? 0.3864 1.6064 0.6851 -0.0012 -0.0614 -0.0413 8 GLN F CB 7852 C CG . GLN F 8 ? 0.4028 1.6176 0.7437 -0.0101 -0.0738 -0.1378 8 GLN F CG 7853 C CD . GLN F 8 ? 0.4282 1.7768 0.7493 0.0342 -0.0827 -0.1749 8 GLN F CD 7854 O OE1 . GLN F 8 ? 0.4494 1.9597 0.7470 0.0795 -0.0937 -0.1930 8 GLN F OE1 7855 N NE2 . GLN F 8 ? 0.4304 1.7252 0.7592 0.0280 -0.0775 -0.1860 8 GLN F NE2 7856 N N . VAL F 9 ? 0.3657 1.5418 0.6586 -0.0130 -0.0516 0.0526 9 VAL F N 7857 C CA . VAL F 9 ? 0.3644 1.5614 0.6453 0.0033 -0.0426 0.1253 9 VAL F CA 7858 C C . VAL F 9 ? 0.3754 1.7553 0.6461 0.0479 -0.0456 0.1312 9 VAL F C 7859 O O . VAL F 9 ? 0.3823 1.8513 0.6604 0.0557 -0.0613 0.0588 9 VAL F O 7860 C CB . VAL F 9 ? 0.3583 1.4614 0.6504 -0.0199 -0.0405 0.1247 9 VAL F CB 7861 C CG1 . VAL F 9 ? 0.3628 1.4927 0.6509 0.0013 -0.0321 0.1927 9 VAL F CG1 7862 C CG2 . VAL F 9 ? 0.3526 1.3019 0.6464 -0.0491 -0.0358 0.1299 9 VAL F CG2 7863 N N . TYR F 10 ? 0.3801 1.8235 0.6465 0.0800 -0.0307 0.2202 10 TYR F N 7864 C CA . TYR F 10 ? 0.3957 2.0387 0.6511 0.1356 -0.0267 0.2492 10 TYR F CA 7865 C C . TYR F 10 ? 0.3996 2.0697 0.6824 0.1618 -0.0023 0.3746 10 TYR F C 7866 O O . TYR F 10 ? 0.3939 1.9332 0.7123 0.1382 0.0075 0.4324 10 TYR F O 7867 C CB . TYR F 10 ? 0.4105 2.1844 0.6438 0.1712 -0.0322 0.2169 10 TYR F CB 7868 C CG . TYR F 10 ? 0.4053 2.1142 0.6472 0.1651 -0.0184 0.2722 10 TYR F CG 7869 C CD1 . TYR F 10 ? 0.4138 2.2308 0.6704 0.2100 0.0042 0.3798 10 TYR F CD1 7870 C CD2 . TYR F 10 ? 0.3926 1.9427 0.6390 0.1174 -0.0261 0.2247 10 TYR F CD2 7871 C CE1 . TYR F 10 ? 0.4059 2.1680 0.6858 0.2030 0.0161 0.4339 10 TYR F CE1 7872 C CE2 . TYR F 10 ? 0.3862 1.8833 0.6435 0.1120 -0.0157 0.2736 10 TYR F CE2 7873 C CZ . TYR F 10 ? 0.3922 1.9929 0.6682 0.1527 0.0038 0.3752 10 TYR F CZ 7874 O OH . TYR F 10 ? 0.3873 1.9390 0.6887 0.1455 0.0132 0.4259 10 TYR F OH 7875 N N . SER F 11 ? 0.4143 2.2620 0.6935 0.2133 0.0061 0.4146 11 SER F N 7876 C CA . SER F 11 ? 0.4222 2.3150 0.7496 0.2445 0.0339 0.5444 11 SER F CA 7877 C C . SER F 11 ? 0.4384 2.4935 0.7842 0.3012 0.0563 0.6348 11 SER F C 7878 O O . SER F 11 ? 0.4497 2.6476 0.7471 0.3361 0.0481 0.5872 11 SER F O 7879 C CB . SER F 11 ? 0.4294 2.4180 0.7531 0.2700 0.0364 0.5549 11 SER F CB 7880 O OG . SER F 11 ? 0.4440 2.6349 0.7186 0.3134 0.0223 0.4932 11 SER F OG 7881 N N . ARG F 12 ? 0.4436 2.4805 0.8722 0.3136 0.0846 0.7659 12 ARG F N 7882 C CA . ARG F 12 ? 0.4599 2.6483 0.9360 0.3687 0.1144 0.8836 12 ARG F CA 7883 C C . ARG F 12 ? 0.4836 2.9466 0.9353 0.4528 0.1330 0.9367 12 ARG F C 7884 O O . ARG F 12 ? 0.5018 3.1584 0.9184 0.5120 0.1413 0.9522 12 ARG F O 7885 C CB . ARG F 12 ? 0.4611 2.5349 1.0705 0.3515 0.1378 1.0101 12 ARG F CB 7886 C CG . ARG F 12 ? 0.4794 2.7193 1.1804 0.4122 0.1780 1.1684 12 ARG F CG 7887 C CD . ARG F 12 ? 0.4806 2.7833 1.1479 0.4256 0.1780 1.1577 12 ARG F CD 7888 N NE . ARG F 12 ? 0.5096 3.0313 1.2460 0.5022 0.2207 1.3115 12 ARG F NE 7889 C CZ . ARG F 12 ? 0.5307 3.3220 1.1964 0.5868 0.2363 1.3322 12 ARG F CZ 7890 N NH1 . ARG F 12 ? 0.5332 3.4017 1.0657 0.6007 0.2067 1.1961 12 ARG F NH1 7891 N NH2 . ARG F 12 ? 0.5507 3.5471 1.2896 0.6621 0.2808 1.4904 12 ARG F NH2 7892 N N . HIS F 13 ? 0.4863 2.9766 0.9549 0.4637 0.1394 0.9644 13 HIS F N 7893 C CA . HIS F 13 ? 0.5099 3.2666 0.9555 0.5458 0.1560 1.0151 13 HIS F CA 7894 C C . HIS F 13 ? 0.5074 3.3050 0.8616 0.5384 0.1191 0.8721 13 HIS F C 7895 O O . HIS F 13 ? 0.4857 3.0831 0.8258 0.4673 0.0928 0.7758 13 HIS F O 7896 C CB . HIS F 13 ? 0.5203 3.3023 1.0774 0.5730 0.1967 1.1766 13 HIS F CB 7897 C CG . HIS F 13 ? 0.5263 3.2550 1.2141 0.5742 0.2311 1.3202 13 HIS F CG 7898 N ND1 . HIS F 13 ? 0.5476 3.4873 1.2752 0.6468 0.2668 1.4426 13 HIS F ND1 7899 C CD2 . HIS F 13 ? 0.5156 3.0128 1.3159 0.5144 0.2333 1.3590 13 HIS F CD2 7900 C CE1 . HIS F 13 ? 0.5476 3.3798 1.4196 0.6259 0.2914 1.5581 13 HIS F CE1 7901 N NE2 . HIS F 13 ? 0.5302 3.0919 1.4505 0.5448 0.2683 1.5023 13 HIS F NE2 7902 N N . PRO F 14 ? 0.5329 3.6018 0.8328 0.6156 0.1160 0.8572 14 PRO F N 7903 C CA . PRO F 14 ? 0.5352 3.6627 0.7742 0.6121 0.0784 0.7262 14 PRO F CA 7904 C C . PRO F 14 ? 0.5140 3.4737 0.7902 0.5588 0.0795 0.7357 14 PRO F C 7905 O O . PRO F 14 ? 0.5181 3.4969 0.8539 0.5825 0.1149 0.8674 14 PRO F O 7906 C CB . PRO F 14 ? 0.5721 4.0390 0.7789 0.7200 0.0892 0.7724 14 PRO F CB 7907 C CG . PRO F 14 ? 0.5926 4.1897 0.8028 0.7781 0.1160 0.8570 14 PRO F CG 7908 C CD . PRO F 14 ? 0.5654 3.9138 0.8580 0.7142 0.1431 0.9501 14 PRO F CD 7909 N N . PRO F 15 ? 0.4947 3.2920 0.7473 0.4901 0.0436 0.6028 15 PRO F N 7910 C CA . PRO F 15 ? 0.4768 3.1115 0.7576 0.4407 0.0435 0.6023 15 PRO F CA 7911 C C . PRO F 15 ? 0.4899 3.2892 0.7749 0.4894 0.0532 0.6487 15 PRO F C 7912 O O . PRO F 15 ? 0.5073 3.5211 0.7514 0.5364 0.0328 0.5894 15 PRO F O 7913 C CB . PRO F 15 ? 0.4618 2.9741 0.7153 0.3785 0.0028 0.4465 15 PRO F CB 7914 C CG . PRO F 15 ? 0.4790 3.1396 0.6943 0.4072 -0.0239 0.3527 15 PRO F CG 7915 C CD . PRO F 15 ? 0.4918 3.2478 0.7035 0.4576 0.0041 0.4524 15 PRO F CD 7916 N N . GLU F 16 ? 0.4857 3.1892 0.8257 0.4816 0.0820 0.7497 16 GLU F N 7917 C CA . GLU F 16 ? 0.4970 3.3272 0.8511 0.5230 0.0961 0.8061 16 GLU F CA 7918 C C . GLU F 16 ? 0.4864 3.1051 0.8904 0.4778 0.1084 0.8404 16 GLU F C 7919 O O . GLU F 16 ? 0.4865 2.9433 0.9520 0.4557 0.1284 0.9092 16 GLU F O 7920 C CB . GLU F 16 ? 0.5228 3.5764 0.9120 0.6098 0.1363 0.9545 16 GLU F CB 7921 N N . ASN F 17 ? 0.4812 3.1094 0.8651 0.4676 0.0938 0.7869 17 ASN F N 7922 C CA . ASN F 17 ? 0.4759 2.9225 0.8958 0.4329 0.1032 0.8068 17 ASN F CA 7923 C C . ASN F 17 ? 0.4962 2.9463 0.9977 0.4722 0.1452 0.9547 17 ASN F C 7924 O O . ASN F 17 ? 0.5128 3.1661 1.0336 0.5361 0.1680 1.0410 17 ASN F O 7925 C CB . ASN F 17 ? 0.4682 2.9552 0.8560 0.4211 0.0813 0.7277 17 ASN F CB 7926 C CG . ASN F 17 ? 0.4478 2.8184 0.8031 0.3586 0.0450 0.5914 17 ASN F CG 7927 O OD1 . ASN F 17 ? 0.4419 2.6682 0.7927 0.3201 0.0388 0.5589 17 ASN F OD1 7928 N ND2 . ASN F 17 ? 0.4393 2.8773 0.7859 0.3494 0.0221 0.5173 17 ASN F ND2 7929 N N . GLY F 18 ? 0.4994 2.7312 1.0592 0.4376 0.1542 0.9815 18 GLY F N 7930 C CA . GLY F 18 ? 0.5243 2.7198 1.1946 0.4669 0.1896 1.1095 18 GLY F CA 7931 C C . GLY F 18 ? 0.5373 2.7394 1.2992 0.4851 0.2131 1.2111 18 GLY F C 7932 O O . GLY F 18 ? 0.5611 2.6847 1.4492 0.4962 0.2379 1.3077 18 GLY F O 7933 N N . LYS F 19 ? 0.5251 2.8221 1.2383 0.4896 0.2049 1.1892 19 LYS F N 7934 C CA . LYS F 19 ? 0.5377 2.8740 1.3377 0.5129 0.2301 1.2950 19 LYS F CA 7935 C C . LYS F 19 ? 0.5267 2.6588 1.3397 0.4528 0.2085 1.2359 19 LYS F C 7936 O O . LYS F 19 ? 0.5041 2.6069 1.2147 0.4195 0.1781 1.1217 19 LYS F O 7937 C CB . LYS F 19 ? 0.5407 3.1548 1.2874 0.5763 0.2421 1.3328 19 LYS F CB 7938 N N . PRO F 20 ? 0.5453 2.5388 1.4984 0.4402 0.2227 1.3124 20 PRO F N 7939 C CA . PRO F 20 ? 0.5412 2.3535 1.5331 0.3899 0.2027 1.2718 20 PRO F CA 7940 C C . PRO F 20 ? 0.5236 2.4278 1.4576 0.3919 0.1992 1.2594 20 PRO F C 7941 O O . PRO F 20 ? 0.5308 2.6340 1.4910 0.4467 0.2288 1.3596 20 PRO F O 7942 C CB . PRO F 20 ? 0.5736 2.3225 1.7680 0.4033 0.2284 1.3991 20 PRO F CB 7943 C CG . PRO F 20 ? 0.5949 2.3757 1.8337 0.4345 0.2472 1.4472 20 PRO F CG 7944 C CD . PRO F 20 ? 0.5767 2.5749 1.6777 0.4743 0.2561 1.4378 20 PRO F CD 7945 N N . ASN F 21 ? 0.5038 2.2716 1.3613 0.3384 0.1649 1.1407 21 ASN F N 7946 C CA . ASN F 21 ? 0.4864 2.3208 1.2731 0.3350 0.1560 1.1019 21 ASN F CA 7947 C C . ASN F 21 ? 0.4778 2.1095 1.2778 0.2764 0.1309 1.0382 21 ASN F C 7948 O O . ASN F 21 ? 0.4886 1.9446 1.3531 0.2443 0.1186 1.0226 21 ASN F O 7949 C CB . ASN F 21 ? 0.4693 2.4077 1.1087 0.3395 0.1357 0.9912 21 ASN F CB 7950 C CG . ASN F 21 ? 0.4657 2.5648 1.0440 0.3685 0.1346 0.9745 21 ASN F CG 7951 O OD1 . ASN F 21 ? 0.4764 2.5997 1.1066 0.3814 0.1500 1.0441 21 ASN F OD1 7952 N ND2 . ASN F 21 ? 0.4559 2.6697 0.9329 0.3811 0.1140 0.8771 21 ASN F ND2 7953 N N . ILE F 22 ? 0.4624 2.1291 1.2037 0.2685 0.1220 0.9987 22 ILE F N 7954 C CA . ILE F 22 ? 0.4520 1.9468 1.1873 0.2159 0.0974 0.9303 22 ILE F CA 7955 C C . ILE F 22 ? 0.4301 1.9070 1.0294 0.1895 0.0720 0.7974 22 ILE F C 7956 O O . ILE F 22 ? 0.4237 2.0538 0.9512 0.2173 0.0736 0.7692 22 ILE F O 7957 C CB . ILE F 22 ? 0.4560 1.9861 1.2698 0.2253 0.1111 1.0103 22 ILE F CB 7958 N N . LEU F 23 ? 0.4229 1.7218 0.9988 0.1407 0.0481 0.7157 23 LEU F N 7959 C CA . LEU F 23 ? 0.4052 1.6709 0.8820 0.1130 0.0282 0.6025 23 LEU F CA 7960 C C . LEU F 23 ? 0.3997 1.5746 0.8733 0.0837 0.0170 0.5724 23 LEU F C 7961 O O . LEU F 23 ? 0.4079 1.4563 0.9356 0.0625 0.0094 0.5880 23 LEU F O 7962 C CB . LEU F 23 ? 0.4028 1.5660 0.8458 0.0890 0.0152 0.5363 23 LEU F CB 7963 C CG . LEU F 23 ? 0.3859 1.5346 0.7545 0.0647 0.0006 0.4345 23 LEU F CG 7964 C CD1 . LEU F 23 ? 0.3793 1.6968 0.7139 0.0887 0.0006 0.4064 23 LEU F CD1 7965 C CD2 . LEU F 23 ? 0.3865 1.4344 0.7413 0.0467 -0.0056 0.3957 23 LEU F CD2 7966 N N . ASN F 24 ? 0.3903 1.6362 0.8059 0.0857 0.0132 0.5228 24 ASN F N 7967 C CA . ASN F 24 ? 0.3835 1.5645 0.7916 0.0632 0.0056 0.4963 24 ASN F CA 7968 C C . ASN F 24 ? 0.3726 1.4633 0.7242 0.0283 -0.0108 0.3931 24 ASN F C 7969 O O . ASN F 24 ? 0.3697 1.5200 0.6828 0.0313 -0.0157 0.3313 24 ASN F O 7970 C CB . ASN F 24 ? 0.3863 1.7204 0.7859 0.0988 0.0171 0.5261 24 ASN F CB 7971 C CG . ASN F 24 ? 0.4026 1.8253 0.8815 0.1352 0.0404 0.6532 24 ASN F CG 7972 O OD1 . ASN F 24 ? 0.4139 1.7430 0.9772 0.1209 0.0436 0.7143 24 ASN F OD1 7973 N ND2 . ASN F 24 ? 0.4124 2.0258 0.8767 0.1874 0.0568 0.6943 24 ASN F ND2 7974 N N . CYS F 25 ? 0.3705 1.3244 0.7315 -0.0020 -0.0196 0.3780 25 CYS F N 7975 C CA . CYS F 25 ? 0.3611 1.2427 0.6832 -0.0292 -0.0283 0.3019 25 CYS F CA 7976 C C . CYS F 25 ? 0.3569 1.2302 0.6834 -0.0346 -0.0285 0.3065 25 CYS F C 7977 O O . CYS F 25 ? 0.3603 1.1838 0.7254 -0.0389 -0.0307 0.3541 25 CYS F O 7978 C CB . CYS F 25 ? 0.3664 1.1178 0.6861 -0.0498 -0.0362 0.2809 25 CYS F CB 7979 S SG . CYS F 25 ? 0.3630 1.0420 0.6514 -0.0749 -0.0379 0.2112 25 CYS F SG 7980 N N . TYR F 26 ? 0.3520 1.2775 0.6510 -0.0331 -0.0281 0.2539 26 TYR F N 7981 C CA . TYR F 26 ? 0.3509 1.2856 0.6494 -0.0322 -0.0263 0.2536 26 TYR F CA 7982 C C . TYR F 26 ? 0.3479 1.2008 0.6342 -0.0584 -0.0303 0.1854 26 TYR F C 7983 O O . TYR F 26 ? 0.3505 1.2427 0.6336 -0.0576 -0.0324 0.1207 26 TYR F O 7984 C CB . TYR F 26 ? 0.3592 1.4579 0.6462 0.0079 -0.0204 0.2576 26 TYR F CB 7985 C CG . TYR F 26 ? 0.3583 1.4940 0.6425 0.0202 -0.0159 0.2628 26 TYR F CG 7986 C CD1 . TYR F 26 ? 0.3501 1.4398 0.6671 0.0137 -0.0096 0.3348 26 TYR F CD1 7987 C CD2 . TYR F 26 ? 0.3664 1.5919 0.6257 0.0419 -0.0202 0.1919 26 TYR F CD2 7988 C CE1 . TYR F 26 ? 0.3540 1.4860 0.6700 0.0275 -0.0035 0.3454 26 TYR F CE1 7989 C CE2 . TYR F 26 ? 0.3735 1.6413 0.6277 0.0599 -0.0150 0.1951 26 TYR F CE2 7990 C CZ . TYR F 26 ? 0.3655 1.5875 0.6435 0.0524 -0.0044 0.2772 26 TYR F CZ 7991 O OH . TYR F 26 ? 0.3701 1.6394 0.6443 0.0718 0.0024 0.2854 26 TYR F OH 7992 N N . VAL F 27 ? 0.3457 1.0911 0.6388 -0.0791 -0.0322 0.2009 27 VAL F N 7993 C CA . VAL F 27 ? 0.3443 1.0119 0.6338 -0.0994 -0.0306 0.1568 27 VAL F CA 7994 C C . VAL F 27 ? 0.3448 1.0220 0.6375 -0.0980 -0.0270 0.1547 27 VAL F C 7995 O O . VAL F 27 ? 0.3439 1.0237 0.6438 -0.0933 -0.0290 0.2028 27 VAL F O 7996 C CB . VAL F 27 ? 0.3479 0.9105 0.6346 -0.1127 -0.0352 0.1708 27 VAL F CB 7997 C CG1 . VAL F 27 ? 0.3497 0.8608 0.6378 -0.1241 -0.0258 0.1364 27 VAL F CG1 7998 C CG2 . VAL F 27 ? 0.3503 0.9088 0.6349 -0.1064 -0.0401 0.1843 27 VAL F CG2 7999 N N . THR F 28 ? 0.3487 1.0315 0.6510 -0.1016 -0.0217 0.0999 28 THR F N 8000 C CA . THR F 28 ? 0.3538 1.0586 0.6614 -0.0942 -0.0173 0.0877 28 THR F CA 8001 C C . THR F 28 ? 0.3587 0.9921 0.6960 -0.1109 -0.0086 0.0508 28 THR F C 8002 O O . THR F 28 ? 0.3598 0.9430 0.7221 -0.1255 -0.0038 0.0336 28 THR F O 8003 C CB . THR F 28 ? 0.3657 1.1980 0.6711 -0.0641 -0.0205 0.0475 28 THR F CB 8004 O OG1 . THR F 28 ? 0.3723 1.2287 0.7020 -0.0665 -0.0273 -0.0203 28 THR F OG1 8005 C CG2 . THR F 28 ? 0.3645 1.2951 0.6470 -0.0360 -0.0211 0.1054 28 THR F CG2 8006 N N . GLN F 29 ? 0.3643 1.0020 0.7077 -0.1048 -0.0032 0.0478 29 GLN F N 8007 C CA . GLN F 29 ? 0.3751 0.9651 0.7638 -0.1132 0.0086 0.0127 29 GLN F CA 8008 C C . GLN F 29 ? 0.3691 0.8635 0.7694 -0.1310 0.0205 0.0479 29 GLN F C 8009 O O . GLN F 29 ? 0.3789 0.8362 0.8343 -0.1366 0.0362 0.0316 29 GLN F O 8010 C CB . GLN F 29 ? 0.3916 1.0137 0.8412 -0.1118 0.0062 -0.0653 29 GLN F CB 8011 C CG . GLN F 29 ? 0.4102 1.1532 0.8452 -0.0840 -0.0106 -0.1161 29 GLN F CG 8012 C CD . GLN F 29 ? 0.4360 1.2469 0.8620 -0.0542 -0.0120 -0.1416 29 GLN F CD 8013 O OE1 . GLN F 29 ? 0.4374 1.1968 0.8711 -0.0586 0.0002 -0.1199 29 GLN F OE1 8014 N NE2 . GLN F 29 ? 0.4625 1.4039 0.8696 -0.0173 -0.0267 -0.1877 29 GLN F NE2 8015 N N . PHE F 30 ? 0.3583 0.8228 0.7167 -0.1344 0.0131 0.0954 30 PHE F N 8016 C CA . PHE F 30 ? 0.3590 0.7595 0.7164 -0.1386 0.0205 0.1232 30 PHE F CA 8017 C C . PHE F 30 ? 0.3620 0.7395 0.7081 -0.1350 0.0213 0.1530 30 PHE F C 8018 O O . PHE F 30 ? 0.3582 0.7600 0.6915 -0.1333 0.0111 0.1653 30 PHE F O 8019 C CB . PHE F 30 ? 0.3571 0.7425 0.6822 -0.1368 0.0080 0.1406 30 PHE F CB 8020 C CG . PHE F 30 ? 0.3526 0.7522 0.6505 -0.1348 -0.0145 0.1619 30 PHE F CG 8021 C CD1 . PHE F 30 ? 0.3460 0.7967 0.6433 -0.1325 -0.0207 0.1595 30 PHE F CD1 8022 C CD2 . PHE F 30 ? 0.3582 0.7281 0.6468 -0.1324 -0.0299 0.1866 30 PHE F CD2 8023 C CE1 . PHE F 30 ? 0.3439 0.8116 0.6427 -0.1285 -0.0360 0.1951 30 PHE F CE1 8024 C CE2 . PHE F 30 ? 0.3615 0.7402 0.6611 -0.1331 -0.0513 0.2096 30 PHE F CE2 8025 C CZ . PHE F 30 ? 0.3506 0.7758 0.6608 -0.1315 -0.0513 0.2207 30 PHE F CZ 8026 N N . HIS F 31 ? 0.3695 0.7128 0.7264 -0.1298 0.0353 0.1707 31 HIS F N 8027 C CA . HIS F 31 ? 0.3748 0.7051 0.7207 -0.1216 0.0360 0.1995 31 HIS F CA 8028 C C . HIS F 31 ? 0.3893 0.7071 0.7366 -0.1043 0.0510 0.2238 31 HIS F C 8029 O O . HIS F 31 ? 0.3937 0.7088 0.7883 -0.1019 0.0778 0.2274 31 HIS F O 8030 C CB . HIS F 31 ? 0.3750 0.7121 0.7574 -0.1227 0.0532 0.1945 31 HIS F CB 8031 C CG . HIS F 31 ? 0.3817 0.7154 0.7515 -0.1147 0.0520 0.2262 31 HIS F CG 8032 N ND1 . HIS F 31 ? 0.3783 0.7311 0.7296 -0.1179 0.0332 0.2363 31 HIS F ND1 8033 C CD2 . HIS F 31 ? 0.3957 0.7207 0.7756 -0.1003 0.0682 0.2558 31 HIS F CD2 8034 C CE1 . HIS F 31 ? 0.3826 0.7323 0.7329 -0.1099 0.0342 0.2629 31 HIS F CE1 8035 N NE2 . HIS F 31 ? 0.3992 0.7355 0.7610 -0.0972 0.0551 0.2741 31 HIS F NE2 8036 N N . PRO F 32 ? 0.4008 0.7228 0.7069 -0.0875 0.0332 0.2411 32 PRO F N 8037 C CA . PRO F 32 ? 0.4009 0.7244 0.6802 -0.0903 -0.0021 0.2374 32 PRO F CA 8038 C C . PRO F 32 ? 0.3945 0.7116 0.6646 -0.1021 -0.0306 0.2188 32 PRO F C 8039 O O . PRO F 32 ? 0.3951 0.7097 0.6590 -0.1017 -0.0251 0.2073 32 PRO F O 8040 C CB . PRO F 32 ? 0.4267 0.7679 0.6787 -0.0598 -0.0128 0.2472 32 PRO F CB 8041 C CG . PRO F 32 ? 0.4392 0.7933 0.6837 -0.0379 0.0104 0.2562 32 PRO F CG 8042 C CD . PRO F 32 ? 0.4216 0.7610 0.7188 -0.0566 0.0484 0.2666 32 PRO F CD 8043 N N . PRO F 33 ? 0.3917 0.7097 0.6752 -0.1117 -0.0588 0.2231 33 PRO F N 8044 C CA . PRO F 33 ? 0.3882 0.7043 0.6902 -0.1219 -0.0813 0.2209 33 PRO F CA 8045 C C . PRO F 33 ? 0.4086 0.7069 0.6996 -0.1096 -0.1031 0.1985 33 PRO F C 8046 O O . PRO F 33 ? 0.4073 0.7031 0.7183 -0.1163 -0.1127 0.1998 33 PRO F O 8047 C CB . PRO F 33 ? 0.3878 0.7099 0.7348 -0.1309 -0.1050 0.2418 33 PRO F CB 8048 C CG . PRO F 33 ? 0.3977 0.7197 0.7329 -0.1211 -0.1070 0.2396 33 PRO F CG 8049 C CD . PRO F 33 ? 0.3921 0.7185 0.6928 -0.1135 -0.0674 0.2399 33 PRO F CD 8050 N N . HIS F 34 ? 0.4338 0.7311 0.6946 -0.0853 -0.1097 0.1805 34 HIS F N 8051 C CA . HIS F 34 ? 0.4644 0.7563 0.7095 -0.0635 -0.1321 0.1514 34 HIS F CA 8052 C C . HIS F 34 ? 0.4542 0.7465 0.6788 -0.0630 -0.1073 0.1542 34 HIS F C 8053 O O . HIS F 34 ? 0.4432 0.7489 0.6529 -0.0613 -0.0720 0.1692 34 HIS F O 8054 C CB . HIS F 34 ? 0.5018 0.8210 0.7103 -0.0238 -0.1441 0.1309 34 HIS F CB 8055 C CG . HIS F 34 ? 0.5475 0.8763 0.7325 0.0100 -0.1674 0.0931 34 HIS F CG 8056 N ND1 . HIS F 34 ? 0.5850 0.8945 0.8089 0.0138 -0.2168 0.0489 34 HIS F ND1 8057 C CD2 . HIS F 34 ? 0.5722 0.9316 0.7098 0.0445 -0.1475 0.0935 34 HIS F CD2 8058 C CE1 . HIS F 34 ? 0.6235 0.9501 0.8148 0.0518 -0.2286 0.0143 34 HIS F CE1 8059 N NE2 . HIS F 34 ? 0.6175 0.9794 0.7499 0.0726 -0.1856 0.0447 34 HIS F NE2 8060 N N . ILE F 35 ? 0.4606 0.7395 0.7006 -0.0647 -0.1262 0.1414 35 ILE F N 8061 C CA . ILE F 35 ? 0.4481 0.7331 0.6753 -0.0664 -0.1060 0.1456 35 ILE F CA 8062 C C . ILE F 35 ? 0.4734 0.7450 0.7075 -0.0503 -0.1314 0.1244 35 ILE F C 8063 O O . ILE F 35 ? 0.4933 0.7438 0.7701 -0.0491 -0.1663 0.1092 35 ILE F O 8064 C CB . ILE F 35 ? 0.4138 0.7139 0.6653 -0.0952 -0.0869 0.1676 35 ILE F CB 8065 C CG1 . ILE F 35 ? 0.3983 0.7195 0.6364 -0.0968 -0.0589 0.1650 35 ILE F CG1 8066 C CG2 . ILE F 35 ? 0.4088 0.7097 0.7050 -0.1048 -0.1069 0.1830 35 ILE F CG2 8067 C CD1 . ILE F 35 ? 0.3657 0.7175 0.6231 -0.1156 -0.0400 0.1669 35 ILE F CD1 8068 N N . GLU F 36 ? 0.4755 0.7598 0.6817 -0.0371 -0.1143 0.1227 36 GLU F N 8069 C CA . GLU F 36 ? 0.4983 0.7728 0.7113 -0.0204 -0.1325 0.1054 36 GLU F CA 8070 C C . GLU F 36 ? 0.4722 0.7632 0.6914 -0.0369 -0.1089 0.1285 36 GLU F C 8071 O O . GLU F 36 ? 0.4548 0.7712 0.6519 -0.0394 -0.0797 0.1384 36 GLU F O 8072 C CB . GLU F 36 ? 0.5370 0.8289 0.7026 0.0258 -0.1380 0.0775 36 GLU F CB 8073 N N . ILE F 37 ? 0.4718 0.7557 0.7357 -0.0465 -0.1220 0.1400 37 ILE F N 8074 C CA . ILE F 37 ? 0.4493 0.7670 0.7207 -0.0561 -0.1030 0.1639 37 ILE F CA 8075 C C . ILE F 37 ? 0.4741 0.7807 0.7630 -0.0362 -0.1150 0.1603 37 ILE F C 8076 O O . ILE F 37 ? 0.5024 0.7734 0.8411 -0.0269 -0.1424 0.1518 37 ILE F O 8077 C CB . ILE F 37 ? 0.4240 0.7739 0.7360 -0.0770 -0.0978 0.1992 37 ILE F CB 8078 C CG1 . ILE F 37 ? 0.4044 0.7621 0.7033 -0.0921 -0.0891 0.1975 37 ILE F CG1 8079 C CG2 . ILE F 37 ? 0.4068 0.8195 0.7145 -0.0780 -0.0782 0.2170 37 ILE F CG2 8080 C CD1 . ILE F 37 ? 0.3911 0.7865 0.7294 -0.1025 -0.0874 0.2334 37 ILE F CD1 8081 N N . GLN F 38 ? 0.4665 0.8042 0.7279 -0.0295 -0.0956 0.1643 38 GLN F N 8082 C CA . GLN F 38 ? 0.4889 0.8244 0.7633 -0.0086 -0.1012 0.1652 38 GLN F CA 8083 C C . GLN F 38 ? 0.4631 0.8558 0.7474 -0.0185 -0.0809 0.1976 38 GLN F C 8084 O O . GLN F 38 ? 0.4343 0.8730 0.6991 -0.0349 -0.0627 0.2002 38 GLN F O 8085 C CB . GLN F 38 ? 0.5147 0.8470 0.7387 0.0222 -0.0982 0.1372 38 GLN F CB 8086 C CG . GLN F 38 ? 0.5622 0.8601 0.7735 0.0513 -0.1252 0.0965 38 GLN F CG 8087 C CD . GLN F 38 ? 0.5951 0.9211 0.7467 0.0932 -0.1152 0.0791 38 GLN F CD 8088 O OE1 . GLN F 38 ? 0.6425 0.9648 0.7863 0.1338 -0.1337 0.0479 38 GLN F OE1 8089 N NE2 . GLN F 38 ? 0.5771 0.9385 0.6974 0.0881 -0.0842 0.1024 38 GLN F NE2 8090 N N . MET F 39 ? 0.4782 0.8741 0.8024 -0.0049 -0.0862 0.2186 39 MET F N 8091 C CA . MET F 39 ? 0.4594 0.9252 0.7902 -0.0043 -0.0677 0.2514 39 MET F CA 8092 C C . MET F 39 ? 0.4816 0.9424 0.8038 0.0207 -0.0658 0.2456 39 MET F C 8093 O O . MET F 39 ? 0.5182 0.9274 0.8735 0.0415 -0.0824 0.2376 39 MET F O 8094 C CB . MET F 39 ? 0.4541 0.9570 0.8515 -0.0062 -0.0666 0.3053 39 MET F CB 8095 C CG . MET F 39 ? 0.4307 0.9620 0.8300 -0.0250 -0.0638 0.3164 39 MET F CG 8096 S SD . MET F 39 ? 0.4214 1.0566 0.8823 -0.0147 -0.0488 0.3957 39 MET F SD 8097 C CE . MET F 39 ? 0.3984 1.1536 0.8058 -0.0007 -0.0305 0.3908 39 MET F CE 8098 N N . LEU F 40 ? 0.4641 0.9808 0.7516 0.0201 -0.0476 0.2447 40 LEU F N 8099 C CA . LEU F 40 ? 0.4836 1.0022 0.7531 0.0449 -0.0419 0.2387 40 LEU F CA 8100 C C . LEU F 40 ? 0.4738 1.0641 0.7624 0.0516 -0.0293 0.2722 40 LEU F C 8101 O O . LEU F 40 ? 0.4443 1.1107 0.7365 0.0358 -0.0205 0.2848 40 LEU F O 8102 C CB . LEU F 40 ? 0.4775 1.0046 0.7039 0.0437 -0.0292 0.2153 40 LEU F CB 8103 C CG . LEU F 40 ? 0.4864 0.9671 0.6879 0.0445 -0.0342 0.1907 40 LEU F CG 8104 C CD1 . LEU F 40 ? 0.4608 0.9752 0.6569 0.0300 -0.0121 0.1913 40 LEU F CD1 8105 C CD2 . LEU F 40 ? 0.5339 0.9749 0.7112 0.0867 -0.0480 0.1685 40 LEU F CD2 8106 N N . LYS F 41 ? 0.5036 1.0777 0.8056 0.0805 -0.0303 0.2820 41 LYS F N 8107 C CA . LYS F 41 ? 0.4989 1.1440 0.8130 0.0935 -0.0159 0.3145 41 LYS F CA 8108 C C . LYS F 41 ? 0.5107 1.1590 0.7866 0.1119 -0.0072 0.2953 41 LYS F C 8109 O O . LYS F 41 ? 0.5491 1.1446 0.8180 0.1430 -0.0140 0.2799 41 LYS F O 8110 C CB . LYS F 41 ? 0.5255 1.1569 0.9058 0.1160 -0.0190 0.3554 41 LYS F CB 8111 N N . ASN F 42 ? 0.4821 1.2001 0.7433 0.0957 0.0061 0.2936 42 ASN F N 8112 C CA . ASN F 42 ? 0.4881 1.2234 0.7299 0.1083 0.0193 0.2866 42 ASN F CA 8113 C C . ASN F 42 ? 0.5058 1.1833 0.7178 0.1181 0.0194 0.2635 42 ASN F C 8114 O O . ASN F 42 ? 0.5359 1.2080 0.7244 0.1542 0.0267 0.2641 42 ASN F O 8115 C CB . ASN F 42 ? 0.5142 1.2663 0.7571 0.1453 0.0259 0.3087 42 ASN F CB 8116 C CG . ASN F 42 ? 0.4981 1.3200 0.7731 0.1439 0.0288 0.3425 42 ASN F CG 8117 O OD1 . ASN F 42 ? 0.4644 1.3670 0.7518 0.1200 0.0310 0.3446 42 ASN F OD1 8118 N ND2 . ASN F 42 ? 0.5272 1.3273 0.8236 0.1749 0.0282 0.3675 42 ASN F ND2 8119 N N . GLY F 43 ? 0.4918 1.1393 0.7032 0.0925 0.0125 0.2465 43 GLY F N 8120 C CA . GLY F 43 ? 0.5095 1.1160 0.6944 0.1041 0.0136 0.2306 43 GLY F CA 8121 C C . GLY F 43 ? 0.5564 1.1043 0.7130 0.1421 -0.0064 0.2079 43 GLY F C 8122 O O . GLY F 43 ? 0.5813 1.1157 0.7058 0.1677 -0.0076 0.1916 43 GLY F O 8123 N N . LYS F 44 ? 0.5731 1.0952 0.7537 0.1494 -0.0232 0.2062 44 LYS F N 8124 C CA . LYS F 44 ? 0.6250 1.0881 0.8105 0.1846 -0.0498 0.1726 44 LYS F CA 8125 C C . LYS F 44 ? 0.6205 1.0349 0.8584 0.1571 -0.0717 0.1692 44 LYS F C 8126 O O . LYS F 44 ? 0.5928 1.0265 0.8750 0.1307 -0.0650 0.2072 44 LYS F O 8127 C CB . LYS F 44 ? 0.6583 1.1261 0.8615 0.2210 -0.0505 0.1768 44 LYS F CB 8128 C CG . LYS F 44 ? 0.7266 1.1483 0.9304 0.2741 -0.0783 0.1229 44 LYS F CG 8129 C CD . LYS F 44 ? 0.7593 1.1921 0.9810 0.3132 -0.0741 0.1279 44 LYS F CD 8130 C CE . LYS F 44 ? 0.8350 1.2147 1.0862 0.3661 -0.1104 0.0604 44 LYS F CE 8131 N NZ . LYS F 44 ? 0.8681 1.2514 1.1526 0.4042 -0.1063 0.0653 44 LYS F NZ 8132 N N . LYS F 45 ? 0.6504 1.0161 0.8871 0.1683 -0.0972 0.1272 45 LYS F N 8133 C CA . LYS F 45 ? 0.6455 0.9675 0.9401 0.1406 -0.1184 0.1252 45 LYS F CA 8134 C C . LYS F 45 ? 0.6627 0.9553 1.0590 0.1395 -0.1314 0.1472 45 LYS F C 8135 O O . LYS F 45 ? 0.7117 0.9725 1.1485 0.1738 -0.1490 0.1201 45 LYS F O 8136 C CB . LYS F 45 ? 0.6816 0.9664 0.9601 0.1593 -0.1479 0.0678 45 LYS F CB 8137 N N . ILE F 46 ? 0.6268 0.9384 1.0725 0.1049 -0.1207 0.1999 46 ILE F N 8138 C CA . ILE F 46 ? 0.6419 0.9379 1.2076 0.1036 -0.1266 0.2434 46 ILE F CA 8139 C C . ILE F 46 ? 0.6805 0.9006 1.3336 0.1023 -0.1643 0.2071 46 ILE F C 8140 O O . ILE F 46 ? 0.6647 0.8756 1.2954 0.0811 -0.1736 0.1913 46 ILE F O 8141 C CB . ILE F 46 ? 0.5935 0.9650 1.1797 0.0779 -0.0987 0.3212 46 ILE F CB 8142 C CG1 . ILE F 46 ? 0.5601 1.0166 1.0637 0.0794 -0.0701 0.3374 46 ILE F CG1 8143 C CG2 . ILE F 46 ? 0.6094 0.9849 1.3344 0.0853 -0.0957 0.3897 46 ILE F CG2 8144 C CD1 . ILE F 46 ? 0.5128 1.0606 0.9969 0.0587 -0.0505 0.3771 46 ILE F CD1 8145 N N . PRO F 47 ? 0.7354 0.9019 1.4997 0.1258 -0.1885 0.1890 47 PRO F N 8146 C CA . PRO F 47 ? 0.7848 0.8767 1.6582 0.1295 -0.2346 0.1344 47 PRO F CA 8147 C C . PRO F 47 ? 0.7616 0.8469 1.7273 0.0912 -0.2387 0.1805 47 PRO F C 8148 O O . PRO F 47 ? 0.7622 0.8279 1.6998 0.0798 -0.2621 0.1337 47 PRO F O 8149 C CB . PRO F 47 ? 0.8415 0.8901 1.8527 0.1577 -0.2496 0.1302 47 PRO F CB 8150 C CG . PRO F 47 ? 0.8088 0.9189 1.7951 0.1608 -0.2029 0.2145 47 PRO F CG 8151 C CD . PRO F 47 ? 0.7585 0.9337 1.5606 0.1538 -0.1759 0.2117 47 PRO F CD 8152 N N . LYS F 48 ? 0.7433 0.8566 1.8198 0.0771 -0.2139 0.2778 48 LYS F N 8153 C CA . LYS F 48 ? 0.7265 0.8464 1.9124 0.0481 -0.2133 0.3382 48 LYS F CA 8154 C C . LYS F 48 ? 0.6612 0.8762 1.7483 0.0291 -0.1712 0.4097 48 LYS F C 8155 O O . LYS F 48 ? 0.6396 0.9333 1.7307 0.0371 -0.1343 0.4905 48 LYS F O 8156 C CB . LYS F 48 ? 0.7586 0.8586 2.1685 0.0527 -0.2134 0.4101 48 LYS F CB 8157 N N . VAL F 49 ? 0.6356 0.8513 1.6355 0.0094 -0.1785 0.3741 49 VAL F N 8158 C CA . VAL F 49 ? 0.5811 0.8819 1.4933 -0.0059 -0.1454 0.4221 49 VAL F CA 8159 C C . VAL F 49 ? 0.5722 0.8719 1.5584 -0.0271 -0.1532 0.4535 49 VAL F C 8160 O O . VAL F 49 ? 0.5762 0.8269 1.5299 -0.0402 -0.1786 0.3927 49 VAL F O 8161 C CB . VAL F 49 ? 0.5555 0.8701 1.2921 -0.0086 -0.1385 0.3578 49 VAL F CB 8162 C CG1 . VAL F 49 ? 0.5066 0.9078 1.1743 -0.0221 -0.1094 0.3937 49 VAL F CG1 8163 C CG2 . VAL F 49 ? 0.5647 0.8861 1.2407 0.0129 -0.1299 0.3336 49 VAL F CG2 8164 N N . GLU F 50 ? 0.5615 0.9278 1.6511 -0.0253 -0.1289 0.5560 50 GLU F N 8165 C CA . GLU F 50 ? 0.5540 0.9364 1.7352 -0.0408 -0.1300 0.6077 50 GLU F CA 8166 C C . GLU F 50 ? 0.5146 0.9464 1.5570 -0.0521 -0.1175 0.5882 50 GLU F C 8167 O O . GLU F 50 ? 0.4858 1.0032 1.4176 -0.0411 -0.0890 0.5997 50 GLU F O 8168 C CB . GLU F 50 ? 0.5555 1.0227 1.8849 -0.0252 -0.0980 0.7410 50 GLU F CB 8169 N N . MET F 51 ? 0.5175 0.8977 1.5771 -0.0721 -0.1419 0.5532 51 MET F N 8170 C CA . MET F 51 ? 0.4866 0.8956 1.4259 -0.0828 -0.1336 0.5256 51 MET F CA 8171 C C . MET F 51 ? 0.4757 0.9351 1.4976 -0.0894 -0.1237 0.5990 51 MET F C 8172 O O . MET F 51 ? 0.4978 0.9226 1.6763 -0.0982 -0.1419 0.6357 51 MET F O 8173 C CB . MET F 51 ? 0.4987 0.8199 1.3684 -0.0942 -0.1664 0.4243 51 MET F CB 8174 C CG . MET F 51 ? 0.4734 0.8188 1.1927 -0.0985 -0.1505 0.3835 51 MET F CG 8175 S SD . MET F 51 ? 0.4712 0.8158 1.0652 -0.0854 -0.1382 0.3282 51 MET F SD 8176 C CE . MET F 51 ? 0.5177 0.7730 1.0960 -0.0769 -0.1760 0.2460 51 MET F CE 8177 N N . SER F 52 ? 0.4456 0.9906 1.3734 -0.0830 -0.0963 0.6174 52 SER F N 8178 C CA . SER F 52 ? 0.4351 1.0417 1.4173 -0.0826 -0.0837 0.6831 52 SER F CA 8179 C C . SER F 52 ? 0.4333 0.9666 1.3908 -0.1073 -0.1094 0.6232 52 SER F C 8180 O O . SER F 52 ? 0.4361 0.8973 1.3019 -0.1179 -0.1284 0.5328 52 SER F O 8181 C CB . SER F 52 ? 0.4128 1.1555 1.3018 -0.0554 -0.0466 0.7163 52 SER F CB 8182 O OG . SER F 52 ? 0.3953 1.1210 1.1403 -0.0632 -0.0493 0.6267 52 SER F OG 8183 N N . ASP F 53 ? 0.4306 0.9947 1.4743 -0.1121 -0.1071 0.6821 53 ASP F N 8184 C CA . ASP F 53 ? 0.4266 0.9411 1.4486 -0.1320 -0.1281 0.6362 53 ASP F CA 8185 C C . ASP F 53 ? 0.4003 0.9576 1.2654 -0.1247 -0.1059 0.5987 53 ASP F C 8186 O O . ASP F 53 ? 0.3880 1.0485 1.2141 -0.1020 -0.0735 0.6423 53 ASP F O 8187 C CB . ASP F 53 ? 0.4321 0.9725 1.6111 -0.1394 -0.1318 0.7174 53 ASP F CB 8188 C CG . ASP F 53 ? 0.4652 0.9456 1.8364 -0.1521 -0.1618 0.7410 53 ASP F CG 8189 O OD1 . ASP F 53 ? 0.4863 0.8932 1.9392 -0.1740 -0.2038 0.6953 53 ASP F OD1 8190 O OD2 . ASP F 53 ? 0.4801 0.9905 1.9299 -0.1378 -0.1454 0.8010 53 ASP F OD2 8191 N N . MET F 54 ? 0.3981 0.8843 1.1826 -0.1385 -0.1240 0.5166 54 MET F N 8192 C CA . MET F 54 ? 0.3782 0.8873 1.0380 -0.1339 -0.1044 0.4754 54 MET F CA 8193 C C . MET F 54 ? 0.3639 0.9413 1.0358 -0.1271 -0.0865 0.5217 54 MET F C 8194 O O . MET F 54 ? 0.3698 0.9441 1.1345 -0.1356 -0.0982 0.5666 54 MET F O 8195 C CB . MET F 54 ? 0.3862 0.8121 0.9848 -0.1452 -0.1241 0.3979 54 MET F CB 8196 C CG . MET F 54 ? 0.3786 0.8135 0.8689 -0.1405 -0.1015 0.3535 54 MET F CG 8197 S SD . MET F 54 ? 0.4050 0.7660 0.8322 -0.1406 -0.1139 0.2840 54 MET F SD 8198 C CE . MET F 54 ? 0.4288 0.7473 0.9046 -0.1447 -0.1502 0.2745 54 MET F CE 8199 N N . SER F 55 ? 0.3481 0.9916 0.9357 -0.1095 -0.0603 0.5066 55 SER F N 8200 C CA . SER F 55 ? 0.3390 1.0625 0.9225 -0.0925 -0.0410 0.5409 55 SER F CA 8201 C C . SER F 55 ? 0.3323 1.0682 0.8154 -0.0834 -0.0272 0.4702 55 SER F C 8202 O O . SER F 55 ? 0.3310 1.0170 0.7629 -0.0925 -0.0308 0.4065 55 SER F O 8203 C CB . SER F 55 ? 0.3425 1.1944 0.9753 -0.0598 -0.0192 0.6260 55 SER F CB 8204 O OG . SER F 55 ? 0.3455 1.2884 0.9859 -0.0360 -0.0005 0.6715 55 SER F OG 8205 N N . PHE F 56 ? 0.3311 1.1343 0.8008 -0.0639 -0.0113 0.4825 56 PHE F N 8206 C CA . PHE F 56 ? 0.3332 1.1542 0.7335 -0.0510 0.0004 0.4114 56 PHE F CA 8207 C C . PHE F 56 ? 0.3462 1.3082 0.7305 -0.0053 0.0194 0.4268 56 PHE F C 8208 O O . PHE F 56 ? 0.3483 1.3895 0.7740 0.0152 0.0287 0.5079 56 PHE F O 8209 C CB . PHE F 56 ? 0.3300 1.0590 0.7203 -0.0731 -0.0033 0.3774 56 PHE F CB 8210 C CG . PHE F 56 ? 0.3181 1.0478 0.7528 -0.0770 -0.0059 0.4345 56 PHE F CG 8211 C CD1 . PHE F 56 ? 0.3189 1.1224 0.7491 -0.0517 0.0114 0.4522 56 PHE F CD1 8212 C CD2 . PHE F 56 ? 0.3075 0.9696 0.7952 -0.1031 -0.0286 0.4638 56 PHE F CD2 8213 C CE1 . PHE F 56 ? 0.3117 1.1213 0.7903 -0.0556 0.0098 0.5103 56 PHE F CE1 8214 C CE2 . PHE F 56 ? 0.3074 0.9749 0.8526 -0.1088 -0.0356 0.5123 56 PHE F CE2 8215 C CZ . PHE F 56 ? 0.3042 1.0447 0.8449 -0.0868 -0.0144 0.5413 56 PHE F CZ 8216 N N . SER F 57 ? 0.3606 1.3619 0.6954 0.0145 0.0240 0.3477 57 SER F N 8217 C CA . SER F 57 ? 0.3845 1.5365 0.6944 0.0693 0.0365 0.3369 57 SER F CA 8218 C C . SER F 57 ? 0.3981 1.5491 0.7011 0.0811 0.0444 0.3094 57 SER F C 8219 O O . SER F 57 ? 0.3875 1.4206 0.7069 0.0448 0.0422 0.3060 57 SER F O 8220 C CB . SER F 57 ? 0.4016 1.6204 0.6762 0.0926 0.0297 0.2532 57 SER F CB 8221 O OG . SER F 57 ? 0.3967 1.4957 0.6735 0.0545 0.0186 0.1704 57 SER F OG 8222 N N . LYS F 58 ? 0.4268 1.7207 0.7045 0.1385 0.0537 0.2890 58 LYS F N 8223 C CA . LYS F 58 ? 0.4460 1.7642 0.7186 0.1624 0.0634 0.2679 58 LYS F CA 8224 C C . LYS F 58 ? 0.4509 1.6402 0.7340 0.1310 0.0577 0.1771 58 LYS F C 8225 O O . LYS F 58 ? 0.4538 1.6033 0.7500 0.1280 0.0671 0.1860 58 LYS F O 8226 C CB . LYS F 58 ? 0.4854 1.9985 0.7222 0.2416 0.0703 0.2401 58 LYS F CB 8227 N N . ASP F 59 ? 0.4527 1.5833 0.7419 0.1094 0.0450 0.0990 59 ASP F N 8228 C CA . ASP F 59 ? 0.4580 1.4679 0.7845 0.0789 0.0441 0.0281 59 ASP F CA 8229 C C . ASP F 59 ? 0.4240 1.2885 0.7683 0.0232 0.0465 0.0787 59 ASP F C 8230 O O . ASP F 59 ? 0.4272 1.1969 0.8084 -0.0017 0.0501 0.0398 59 ASP F O 8231 C CB . ASP F 59 ? 0.4823 1.5102 0.8325 0.0858 0.0297 -0.0798 59 ASP F CB 8232 C CG . ASP F 59 ? 0.4667 1.5038 0.7998 0.0699 0.0181 -0.0670 59 ASP F CG 8233 O OD1 . ASP F 59 ? 0.4385 1.4470 0.7488 0.0495 0.0216 0.0216 59 ASP F OD1 8234 O OD2 . ASP F 59 ? 0.4903 1.5648 0.8431 0.0790 0.0033 -0.1508 59 ASP F OD2 8235 N N . TRP F 60 ? 0.3964 1.2558 0.7253 0.0095 0.0439 0.1654 60 TRP F N 8236 C CA . TRP F 60 ? 0.3696 1.1165 0.7114 -0.0319 0.0397 0.2112 60 TRP F CA 8237 C C . TRP F 60 ? 0.3586 1.0416 0.6984 -0.0590 0.0286 0.1986 60 TRP F C 8238 O O . TRP F 60 ? 0.3453 0.9613 0.6892 -0.0827 0.0196 0.2352 60 TRP F O 8239 C CB . TRP F 60 ? 0.3718 1.0465 0.7330 -0.0424 0.0508 0.2020 60 TRP F CB 8240 C CG . TRP F 60 ? 0.3689 1.0990 0.7324 -0.0177 0.0613 0.2274 60 TRP F CG 8241 C CD1 . TRP F 60 ? 0.3859 1.1557 0.7579 0.0116 0.0743 0.1784 60 TRP F CD1 8242 C CD2 . TRP F 60 ? 0.3455 1.1024 0.7144 -0.0178 0.0588 0.3064 60 TRP F CD2 8243 N NE1 . TRP F 60 ? 0.3868 1.2102 0.7550 0.0330 0.0830 0.2262 60 TRP F NE1 8244 C CE2 . TRP F 60 ? 0.3598 1.1770 0.7301 0.0134 0.0743 0.3093 60 TRP F CE2 8245 C CE3 . TRP F 60 ? 0.3232 1.0595 0.7112 -0.0406 0.0427 0.3713 60 TRP F CE3 8246 C CZ2 . TRP F 60 ? 0.3511 1.2127 0.7380 0.0211 0.0774 0.3849 60 TRP F CZ2 8247 C CZ3 . TRP F 60 ? 0.3156 1.0908 0.7359 -0.0362 0.0421 0.4404 60 TRP F CZ3 8248 C CH2 . TRP F 60 ? 0.3296 1.1691 0.7473 -0.0061 0.0610 0.4519 60 TRP F CH2 8249 N N . SER F 61 ? 0.3686 1.0811 0.7054 -0.0513 0.0267 0.1418 61 SER F N 8250 C CA . SER F 61 ? 0.3608 1.0210 0.6982 -0.0734 0.0190 0.1284 61 SER F CA 8251 C C . SER F 61 ? 0.3488 1.0252 0.6708 -0.0774 0.0071 0.1844 61 SER F C 8252 O O . SER F 61 ? 0.3504 1.1179 0.6673 -0.0545 0.0067 0.2169 61 SER F O 8253 C CB . SER F 61 ? 0.3748 1.0723 0.7286 -0.0642 0.0175 0.0513 61 SER F CB 8254 O OG . SER F 61 ? 0.3876 1.2090 0.7241 -0.0270 0.0128 0.0274 61 SER F OG 8255 N N . PHE F 62 ? 0.3418 0.9372 0.6652 -0.1011 -0.0009 0.1982 62 PHE F N 8256 C CA . PHE F 62 ? 0.3366 0.9267 0.6651 -0.1067 -0.0153 0.2438 62 PHE F CA 8257 C C . PHE F 62 ? 0.3377 0.9795 0.6577 -0.0971 -0.0167 0.2337 62 PHE F C 8258 O O . PHE F 62 ? 0.3423 0.9966 0.6509 -0.0949 -0.0119 0.1803 62 PHE F O 8259 C CB . PHE F 62 ? 0.3378 0.8347 0.6676 -0.1257 -0.0275 0.2452 62 PHE F CB 8260 C CG . PHE F 62 ? 0.3400 0.8019 0.6832 -0.1314 -0.0340 0.2670 62 PHE F CG 8261 C CD1 . PHE F 62 ? 0.3418 0.7706 0.6736 -0.1320 -0.0217 0.2468 62 PHE F CD1 8262 C CD2 . PHE F 62 ? 0.3411 0.8082 0.7240 -0.1351 -0.0523 0.3113 62 PHE F CD2 8263 C CE1 . PHE F 62 ? 0.3436 0.7530 0.6851 -0.1332 -0.0282 0.2678 62 PHE F CE1 8264 C CE2 . PHE F 62 ? 0.3428 0.7854 0.7462 -0.1405 -0.0631 0.3256 62 PHE F CE2 8265 C CZ . PHE F 62 ? 0.3434 0.7610 0.7168 -0.1381 -0.0514 0.3024 62 PHE F CZ 8266 N N . TYR F 63 ? 0.3372 1.0122 0.6783 -0.0909 -0.0233 0.2883 63 TYR F N 8267 C CA . TYR F 63 ? 0.3382 1.0593 0.6765 -0.0805 -0.0242 0.2928 63 TYR F CA 8268 C C . TYR F 63 ? 0.3401 1.0301 0.7247 -0.0871 -0.0353 0.3504 63 TYR F C 8269 O O . TYR F 63 ? 0.3429 1.0089 0.7782 -0.0939 -0.0429 0.3963 63 TYR F O 8270 C CB . TYR F 63 ? 0.3443 1.2062 0.6693 -0.0444 -0.0126 0.2955 63 TYR F CB 8271 C CG . TYR F 63 ? 0.3454 1.2997 0.6979 -0.0174 -0.0025 0.3692 63 TYR F CG 8272 C CD1 . TYR F 63 ? 0.3405 1.3227 0.7513 -0.0109 0.0000 0.4590 63 TYR F CD1 8273 C CD2 . TYR F 63 ? 0.3516 1.3749 0.6850 0.0062 0.0068 0.3536 63 TYR F CD2 8274 C CE1 . TYR F 63 ? 0.3428 1.4223 0.7995 0.0168 0.0144 0.5432 63 TYR F CE1 8275 C CE2 . TYR F 63 ? 0.3549 1.4803 0.7150 0.0379 0.0202 0.4309 63 TYR F CE2 8276 C CZ . TYR F 63 ? 0.3494 1.5053 0.7742 0.0426 0.0255 0.5313 63 TYR F CZ 8277 O OH . TYR F 63 ? 0.3548 1.6211 0.8262 0.0761 0.0436 0.6237 63 TYR F OH 8278 N N . ILE F 64 ? 0.3417 1.0325 0.7223 -0.0849 -0.0379 0.3445 64 ILE F N 8279 C CA . ILE F 64 ? 0.3499 1.0097 0.7872 -0.0876 -0.0488 0.3909 64 ILE F CA 8280 C C . ILE F 64 ? 0.3536 1.0673 0.7817 -0.0718 -0.0417 0.3965 64 ILE F C 8281 O O . ILE F 64 ? 0.3496 1.0750 0.7228 -0.0711 -0.0381 0.3421 64 ILE F O 8282 C CB . ILE F 64 ? 0.3587 0.8967 0.8061 -0.1094 -0.0716 0.3596 64 ILE F CB 8283 C CG1 . ILE F 64 ? 0.3727 0.8765 0.9046 -0.1099 -0.0895 0.3973 64 ILE F CG1 8284 C CG2 . ILE F 64 ? 0.3603 0.8557 0.7411 -0.1138 -0.0703 0.2958 64 ILE F CG2 8285 C CD1 . ILE F 64 ? 0.3910 0.7985 0.9502 -0.1223 -0.1205 0.3613 64 ILE F CD1 8286 N N . LEU F 65 ? 0.3630 1.1136 0.8602 -0.0586 -0.0390 0.4672 65 LEU F N 8287 C CA . LEU F 65 ? 0.3663 1.1854 0.8640 -0.0374 -0.0289 0.4890 65 LEU F CA 8288 C C . LEU F 65 ? 0.3814 1.1226 0.9438 -0.0451 -0.0410 0.5107 65 LEU F C 8289 O O . LEU F 65 ? 0.3942 1.1076 1.0592 -0.0475 -0.0471 0.5682 65 LEU F O 8290 C CB . LEU F 65 ? 0.3680 1.3427 0.8944 0.0010 -0.0063 0.5665 65 LEU F CB 8291 C CG . LEU F 65 ? 0.3760 1.4642 0.9046 0.0352 0.0087 0.6048 65 LEU F CG 8292 C CD1 . LEU F 65 ? 0.3684 1.4996 0.8019 0.0406 0.0046 0.5170 65 LEU F CD1 8293 C CD2 . LEU F 65 ? 0.3847 1.6390 0.9583 0.0823 0.0343 0.7043 65 LEU F CD2 8294 N N . ALA F 66 ? 0.3844 1.0923 0.8989 -0.0476 -0.0455 0.4620 66 ALA F N 8295 C CA . ALA F 66 ? 0.4046 1.0527 0.9699 -0.0460 -0.0556 0.4732 66 ALA F CA 8296 C C . ALA F 66 ? 0.4067 1.1531 0.9826 -0.0194 -0.0363 0.5198 66 ALA F C 8297 O O . ALA F 66 ? 0.3936 1.2340 0.9012 -0.0065 -0.0234 0.5016 66 ALA F O 8298 C CB . ALA F 66 ? 0.4098 0.9646 0.9141 -0.0588 -0.0714 0.3944 66 ALA F CB 8299 N N . HIS F 67 ? 0.4273 1.1567 1.0994 -0.0087 -0.0364 0.5763 67 HIS F N 8300 C CA . HIS F 67 ? 0.4320 1.2557 1.1254 0.0207 -0.0158 0.6318 67 HIS F CA 8301 C C . HIS F 67 ? 0.4596 1.2066 1.2373 0.0246 -0.0242 0.6486 67 HIS F C 8302 O O . HIS F 67 ? 0.4821 1.1271 1.3523 0.0113 -0.0448 0.6463 67 HIS F O 8303 C CB . HIS F 67 ? 0.4297 1.3964 1.1827 0.0513 0.0111 0.7347 67 HIS F CB 8304 C CG . HIS F 67 ? 0.4466 1.3774 1.3478 0.0476 0.0114 0.8153 67 HIS F CG 8305 N ND1 . HIS F 67 ? 0.4678 1.4073 1.5144 0.0647 0.0233 0.9068 67 HIS F ND1 8306 C CD2 . HIS F 67 ? 0.4447 1.3310 1.3897 0.0280 0.0009 0.8200 67 HIS F CD2 8307 C CE1 . HIS F 67 ? 0.4809 1.3809 1.6675 0.0536 0.0188 0.9638 67 HIS F CE1 8308 N NE2 . HIS F 67 ? 0.4647 1.3346 1.5873 0.0312 0.0044 0.9116 67 HIS F NE2 8309 N N . THR F 68 ? 0.4619 1.2633 1.2134 0.0454 -0.0109 0.6588 68 THR F N 8310 C CA . THR F 68 ? 0.4917 1.2384 1.3256 0.0572 -0.0140 0.6810 68 THR F CA 8311 C C . THR F 68 ? 0.4910 1.3672 1.3395 0.0928 0.0160 0.7554 68 THR F C 8312 O O . THR F 68 ? 0.4680 1.4735 1.2330 0.1078 0.0319 0.7600 68 THR F O 8313 C CB . THR F 68 ? 0.5045 1.1368 1.2715 0.0449 -0.0386 0.5816 68 THR F CB 8314 O OG1 . THR F 68 ? 0.5405 1.1159 1.3995 0.0614 -0.0450 0.5969 68 THR F OG1 8315 C CG2 . THR F 68 ? 0.4791 1.1689 1.1135 0.0464 -0.0289 0.5334 68 THR F CG2 8316 N N . GLU F 69 ? 0.5215 1.3688 1.4841 0.1099 0.0215 0.8091 69 GLU F N 8317 C CA . GLU F 69 ? 0.5266 1.4965 1.5164 0.1484 0.0522 0.8895 69 GLU F CA 8318 C C . GLU F 69 ? 0.5251 1.4812 1.4183 0.1523 0.0468 0.8235 69 GLU F C 8319 O O . GLU F 69 ? 0.5450 1.3722 1.4420 0.1401 0.0253 0.7606 69 GLU F O 8320 C CB . GLU F 69 ? 0.5614 1.5137 1.7480 0.1681 0.0665 0.9957 69 GLU F CB 8321 N N . PHE F 70 ? 0.5056 1.6072 1.3165 0.1741 0.0648 0.8360 70 PHE F N 8322 C CA . PHE F 70 ? 0.5017 1.6142 1.2287 0.1779 0.0616 0.7811 70 PHE F CA 8323 C C . PHE F 70 ? 0.5015 1.7901 1.2296 0.2209 0.0884 0.8518 70 PHE F C 8324 O O . PHE F 70 ? 0.4971 1.9316 1.2462 0.2496 0.1078 0.9233 70 PHE F O 8325 C CB . PHE F 70 ? 0.4743 1.5645 1.0740 0.1471 0.0420 0.6724 70 PHE F CB 8326 C CG . PHE F 70 ? 0.4472 1.6948 0.9796 0.1568 0.0476 0.6615 70 PHE F CG 8327 C CD1 . PHE F 70 ? 0.4409 1.7860 0.9965 0.1734 0.0580 0.7129 70 PHE F CD1 8328 C CD2 . PHE F 70 ? 0.4291 1.7326 0.8845 0.1521 0.0399 0.5935 70 PHE F CD2 8329 C CE1 . PHE F 70 ? 0.4253 1.9276 0.9158 0.1919 0.0583 0.6871 70 PHE F CE1 8330 C CE2 . PHE F 70 ? 0.4122 1.8625 0.8200 0.1635 0.0365 0.5628 70 PHE F CE2 8331 C CZ . PHE F 70 ? 0.4134 1.9656 0.8323 0.1863 0.0443 0.6040 70 PHE F CZ 8332 N N . THR F 71 ? 0.5100 1.7974 1.2148 0.2312 0.0901 0.8346 71 THR F N 8333 C CA . THR F 71 ? 0.5101 1.9714 1.2039 0.2725 0.1118 0.8892 71 THR F CA 8334 C C . THR F 71 ? 0.4907 1.9956 1.0711 0.2601 0.0961 0.7962 71 THR F C 8335 O O . THR F 71 ? 0.4978 1.9163 1.0612 0.2488 0.0891 0.7555 71 THR F O 8336 C CB . THR F 71 ? 0.5406 1.9871 1.3404 0.3041 0.1335 0.9756 71 THR F CB 8337 N N . PRO F 72 ? 0.4716 2.1157 0.9861 0.2648 0.0891 0.7599 72 PRO F N 8338 C CA . PRO F 72 ? 0.4545 2.1435 0.8919 0.2484 0.0692 0.6640 72 PRO F CA 8339 C C . PRO F 72 ? 0.4619 2.2232 0.9012 0.2722 0.0773 0.6830 72 PRO F C 8340 O O . PRO F 72 ? 0.4766 2.3577 0.9543 0.3183 0.0995 0.7715 72 PRO F O 8341 C CB . PRO F 72 ? 0.4465 2.3106 0.8467 0.2681 0.0612 0.6393 72 PRO F CB 8342 C CG . PRO F 72 ? 0.4514 2.3088 0.8866 0.2788 0.0741 0.7026 72 PRO F CG 8343 C CD . PRO F 72 ? 0.4702 2.2468 0.9937 0.2909 0.0984 0.8065 72 PRO F CD 8344 N N . THR F 73 ? 0.4541 2.1474 0.8605 0.2435 0.0627 0.6095 73 THR F N 8345 C CA . THR F 73 ? 0.4583 2.2248 0.8629 0.2616 0.0672 0.6153 73 THR F CA 8346 C C . THR F 73 ? 0.4396 2.2565 0.8101 0.2348 0.0425 0.5174 73 THR F C 8347 O O . THR F 73 ? 0.4265 2.2032 0.7816 0.2021 0.0241 0.4476 73 THR F O 8348 C CB . THR F 73 ? 0.4761 2.0970 0.9050 0.2601 0.0790 0.6410 73 THR F CB 8349 O OG1 . THR F 73 ? 0.4732 1.9312 0.8791 0.2208 0.0653 0.5757 73 THR F OG1 8350 C CG2 . THR F 73 ? 0.5037 2.0855 1.0026 0.2903 0.1010 0.7364 73 THR F CG2 8351 N N . GLU F 74 ? 0.4409 2.3465 0.8159 0.2487 0.0421 0.5145 74 GLU F N 8352 C CA . GLU F 74 ? 0.4271 2.3758 0.8032 0.2209 0.0179 0.4260 74 GLU F CA 8353 C C . GLU F 74 ? 0.4194 2.1894 0.8002 0.1753 0.0157 0.3836 74 GLU F C 8354 O O . GLU F 74 ? 0.4081 2.1527 0.8005 0.1406 -0.0025 0.3126 74 GLU F O 8355 C CB . GLU F 74 ? 0.4306 2.5083 0.8222 0.2465 0.0196 0.4423 74 GLU F CB 8356 N N . THR F 75 ? 0.4316 2.0867 0.8086 0.1820 0.0354 0.4295 75 THR F N 8357 C CA . THR F 75 ? 0.4309 1.9493 0.8069 0.1557 0.0378 0.4015 75 THR F CA 8358 C C . THR F 75 ? 0.4299 1.8142 0.7887 0.1314 0.0340 0.3774 75 THR F C 8359 O O . THR F 75 ? 0.4209 1.7569 0.7893 0.1017 0.0282 0.3322 75 THR F O 8360 C CB . THR F 75 ? 0.4522 1.9124 0.8234 0.1836 0.0577 0.4498 75 THR F CB 8361 N N . ASP F 76 ? 0.4406 1.7711 0.7883 0.1452 0.0384 0.4131 76 ASP F N 8362 C CA . ASP F 76 ? 0.4445 1.6412 0.7787 0.1279 0.0342 0.3960 76 ASP F CA 8363 C C . ASP F 76 ? 0.4214 1.6228 0.7510 0.0944 0.0205 0.3446 76 ASP F C 8364 O O . ASP F 76 ? 0.4076 1.7223 0.7460 0.0912 0.0113 0.3251 76 ASP F O 8365 C CB . ASP F 76 ? 0.4656 1.6119 0.8178 0.1490 0.0389 0.4470 76 ASP F CB 8366 C CG . ASP F 76 ? 0.5003 1.5924 0.8726 0.1807 0.0492 0.4833 76 ASP F CG 8367 O OD1 . ASP F 76 ? 0.5164 1.5634 0.8666 0.1860 0.0510 0.4588 76 ASP F OD1 8368 O OD2 . ASP F 76 ? 0.5206 1.6198 0.9414 0.2045 0.0570 0.5400 76 ASP F OD2 8369 N N . THR F 77 ? 0.4223 1.5087 0.7394 0.0756 0.0184 0.3198 77 THR F N 8370 C CA . THR F 77 ? 0.4035 1.4735 0.7221 0.0455 0.0084 0.2763 77 THR F CA 8371 C C . THR F 77 ? 0.4110 1.3928 0.7140 0.0443 0.0052 0.2890 77 THR F C 8372 O O . THR F 77 ? 0.4328 1.3335 0.7301 0.0604 0.0074 0.3129 77 THR F O 8373 C CB . THR F 77 ? 0.3974 1.4227 0.7325 0.0228 0.0115 0.2407 77 THR F CB 8374 O OG1 . THR F 77 ? 0.4154 1.3411 0.7244 0.0373 0.0214 0.2594 77 THR F OG1 8375 C CG2 . THR F 77 ? 0.3894 1.5017 0.7670 0.0189 0.0130 0.2283 77 THR F CG2 8376 N N . TYR F 78 ? 0.3966 1.3992 0.7010 0.0272 -0.0028 0.2668 78 TYR F N 8377 C CA . TYR F 78 ? 0.3999 1.3293 0.6983 0.0223 -0.0068 0.2781 78 TYR F CA 8378 C C . TYR F 78 ? 0.3861 1.2833 0.6795 -0.0055 -0.0124 0.2310 78 TYR F C 8379 O O . TYR F 78 ? 0.3720 1.3412 0.6796 -0.0174 -0.0170 0.1928 78 TYR F O 8380 C CB . TYR F 78 ? 0.4009 1.4050 0.7161 0.0409 -0.0053 0.3247 78 TYR F CB 8381 C CG . TYR F 78 ? 0.4220 1.4352 0.7656 0.0700 0.0040 0.3870 78 TYR F CG 8382 C CD1 . TYR F 78 ? 0.4234 1.5507 0.7722 0.0931 0.0126 0.4118 78 TYR F CD1 8383 C CD2 . TYR F 78 ? 0.4470 1.3578 0.8254 0.0764 0.0023 0.4177 78 TYR F CD2 8384 C CE1 . TYR F 78 ? 0.4445 1.5800 0.8306 0.1225 0.0249 0.4759 78 TYR F CE1 8385 C CE2 . TYR F 78 ? 0.4729 1.3846 0.9022 0.1038 0.0106 0.4726 78 TYR F CE2 8386 C CZ . TYR F 78 ? 0.4700 1.4924 0.9019 0.1271 0.0247 0.5068 78 TYR F CZ 8387 O OH . TYR F 78 ? 0.4965 1.5202 0.9892 0.1567 0.0364 0.5681 78 TYR F OH 8388 N N . ALA F 79 ? 0.3951 1.1888 0.6770 -0.0127 -0.0141 0.2293 79 ALA F N 8389 C CA . ALA F 79 ? 0.3869 1.1420 0.6685 -0.0357 -0.0150 0.1940 79 ALA F CA 8390 C C . ALA F 79 ? 0.3934 1.0773 0.6639 -0.0390 -0.0219 0.2026 79 ALA F C 8391 O O . ALA F 79 ? 0.4103 1.0544 0.6829 -0.0248 -0.0284 0.2302 79 ALA F O 8392 C CB . ALA F 79 ? 0.3927 1.1097 0.6790 -0.0387 -0.0047 0.1810 79 ALA F CB 8393 N N . CYS F 80 ? 0.3834 1.0523 0.6566 -0.0577 -0.0218 0.1768 80 CYS F N 8394 C CA . CYS F 80 ? 0.3895 0.9929 0.6537 -0.0624 -0.0281 0.1817 80 CYS F CA 8395 C C . CYS F 80 ? 0.3911 0.9407 0.6494 -0.0699 -0.0208 0.1618 80 CYS F C 8396 O O . CYS F 80 ? 0.3787 0.9485 0.6617 -0.0857 -0.0115 0.1400 80 CYS F O 8397 C CB . CYS F 80 ? 0.3768 1.0266 0.6510 -0.0700 -0.0316 0.1836 80 CYS F CB 8398 S SG . CYS F 80 ? 0.3917 0.9720 0.6675 -0.0756 -0.0406 0.2000 80 CYS F SG 8399 N N . ARG F 81 ? 0.4114 0.9019 0.6473 -0.0532 -0.0255 0.1688 81 ARG F N 8400 C CA . ARG F 81 ? 0.4203 0.8801 0.6453 -0.0462 -0.0153 0.1634 81 ARG F CA 8401 C C . ARG F 81 ? 0.4225 0.8424 0.6379 -0.0498 -0.0258 0.1589 81 ARG F C 8402 O O . ARG F 81 ? 0.4378 0.8274 0.6455 -0.0412 -0.0474 0.1575 81 ARG F O 8403 C CB . ARG F 81 ? 0.4506 0.9002 0.6482 -0.0113 -0.0142 0.1690 81 ARG F CB 8404 C CG . ARG F 81 ? 0.4740 0.9234 0.6585 0.0107 0.0022 0.1773 81 ARG F CG 8405 C CD . ARG F 81 ? 0.5136 0.9870 0.6732 0.0525 0.0102 0.1877 81 ARG F CD 8406 N NE . ARG F 81 ? 0.5114 1.0266 0.7077 0.0416 0.0312 0.2069 81 ARG F NE 8407 C CZ . ARG F 81 ? 0.5308 1.0735 0.7143 0.0696 0.0370 0.2180 81 ARG F CZ 8408 N NH1 . ARG F 81 ? 0.5742 1.1058 0.7066 0.1144 0.0224 0.2055 81 ARG F NH1 8409 N NH2 . ARG F 81 ? 0.5082 1.0937 0.7375 0.0548 0.0545 0.2355 81 ARG F NH2 8410 N N . VAL F 82 ? 0.4093 0.8301 0.6404 -0.0629 -0.0109 0.1568 82 VAL F N 8411 C CA . VAL F 82 ? 0.4076 0.7998 0.6330 -0.0680 -0.0177 0.1553 82 VAL F CA 8412 C C . VAL F 82 ? 0.4189 0.8039 0.6402 -0.0511 -0.0003 0.1664 82 VAL F C 8413 O O . VAL F 82 ? 0.4114 0.8165 0.6710 -0.0549 0.0260 0.1790 82 VAL F O 8414 C CB . VAL F 82 ? 0.3838 0.7953 0.6379 -0.0954 -0.0150 0.1467 82 VAL F CB 8415 C CG1 . VAL F 82 ? 0.3833 0.7675 0.6333 -0.0993 -0.0194 0.1500 82 VAL F CG1 8416 C CG2 . VAL F 82 ? 0.3746 0.8209 0.6308 -0.1000 -0.0280 0.1492 82 VAL F CG2 8417 N N . LYS F 83 ? 0.4394 0.8051 0.6275 -0.0292 -0.0158 0.1641 83 LYS F N 8418 C CA . LYS F 83 ? 0.4554 0.8344 0.6332 -0.0035 0.0001 0.1812 83 LYS F CA 8419 C C . LYS F 83 ? 0.4462 0.8080 0.6330 -0.0186 -0.0038 0.1813 83 LYS F C 8420 O O . LYS F 83 ? 0.4465 0.7851 0.6236 -0.0280 -0.0328 0.1629 83 LYS F O 8421 C CB . LYS F 83 ? 0.4960 0.8920 0.6227 0.0465 -0.0167 0.1706 83 LYS F CB 8422 N N . HIS F 84 ? 0.4403 0.8151 0.6609 -0.0207 0.0271 0.2075 84 HIS F N 8423 C CA . HIS F 84 ? 0.4339 0.7967 0.6672 -0.0312 0.0292 0.2128 84 HIS F CA 8424 C C . HIS F 84 ? 0.4498 0.8414 0.7096 -0.0059 0.0644 0.2557 84 HIS F C 8425 O O . HIS F 84 ? 0.4549 0.8721 0.7556 0.0058 0.0951 0.2869 84 HIS F O 8426 C CB . HIS F 84 ? 0.4037 0.7499 0.6802 -0.0720 0.0319 0.1967 84 HIS F CB 8427 C CG . HIS F 84 ? 0.3934 0.7274 0.6755 -0.0819 0.0287 0.1976 84 HIS F CG 8428 N ND1 . HIS F 84 ? 0.3873 0.7217 0.7181 -0.0847 0.0565 0.2138 84 HIS F ND1 8429 C CD2 . HIS F 84 ? 0.3886 0.7118 0.6461 -0.0884 0.0023 0.1890 84 HIS F CD2 8430 C CE1 . HIS F 84 ? 0.3867 0.7123 0.7082 -0.0909 0.0472 0.2121 84 HIS F CE1 8431 N NE2 . HIS F 84 ? 0.3840 0.7051 0.6622 -0.0939 0.0144 0.1990 84 HIS F NE2 8432 N N . ALA F 85 ? 0.4601 0.8549 0.7080 0.0042 0.0620 0.2655 85 ALA F N 8433 C CA . ALA F 85 ? 0.4794 0.9146 0.7531 0.0362 0.0972 0.3176 85 ALA F CA 8434 C C . ALA F 85 ? 0.4670 0.8941 0.8470 0.0154 0.1413 0.3523 85 ALA F C 8435 O O . ALA F 85 ? 0.4840 0.9527 0.9160 0.0451 0.1810 0.4132 85 ALA F O 8436 C CB . ALA F 85 ? 0.4876 0.9292 0.7317 0.0470 0.0823 0.3167 85 ALA F CB 8437 N N . SER F 86 ? 0.4428 0.8260 0.8663 -0.0305 0.1337 0.3137 86 SER F N 8438 C CA . SER F 86 ? 0.4368 0.8071 0.9805 -0.0535 0.1644 0.3216 86 SER F CA 8439 C C . SER F 86 ? 0.4404 0.8292 1.0594 -0.0530 0.1866 0.3417 86 SER F C 8440 O O . SER F 86 ? 0.4432 0.8283 1.1942 -0.0653 0.2162 0.3603 86 SER F O 8441 C CB . SER F 86 ? 0.4175 0.7565 0.9755 -0.0922 0.1419 0.2586 86 SER F CB 8442 O OG . SER F 86 ? 0.4090 0.7516 0.9158 -0.1052 0.1129 0.2180 86 SER F OG 8443 N N . MET F 87 ? 0.4438 0.8524 0.9935 -0.0386 0.1716 0.3374 87 MET F N 8444 C CA . MET F 87 ? 0.4469 0.8805 1.0591 -0.0360 0.1905 0.3589 87 MET F CA 8445 C C . MET F 87 ? 0.4724 0.9633 1.0384 0.0188 0.2097 0.4200 87 MET F C 8446 O O . MET F 87 ? 0.4859 0.9920 0.9364 0.0502 0.1865 0.4087 87 MET F O 8447 C CB . MET F 87 ? 0.4299 0.8509 1.0078 -0.0629 0.1581 0.2990 87 MET F CB 8448 C CG . MET F 87 ? 0.4126 0.8066 1.0157 -0.1033 0.1353 0.2343 87 MET F CG 8449 S SD . MET F 87 ? 0.4069 0.8132 0.9427 -0.1188 0.0976 0.1791 87 MET F SD 8450 C CE . MET F 87 ? 0.4075 0.8004 0.8093 -0.0932 0.0737 0.1915 87 MET F CE 8451 N N . ALA F 88 ? 0.4834 1.0149 1.1508 0.0340 0.2505 0.4827 88 ALA F N 8452 C CA . ALA F 88 ? 0.5143 1.1251 1.1460 0.0967 0.2756 0.5510 88 ALA F CA 8453 C C . ALA F 88 ? 0.5185 1.1402 1.0529 0.1092 0.2466 0.5126 88 ALA F C 8454 O O . ALA F 88 ? 0.5454 1.2066 0.9652 0.1592 0.2304 0.5070 88 ALA F O 8455 C CB . ALA F 88 ? 0.5238 1.1821 1.3172 0.1090 0.3329 0.6437 88 ALA F CB 8456 N N . GLU F 89 ? 0.4965 1.0885 1.0844 0.0668 0.2379 0.4808 89 GLU F N 8457 C CA . GLU F 89 ? 0.4965 1.0915 1.0056 0.0716 0.2107 0.4428 89 GLU F CA 8458 C C . GLU F 89 ? 0.4714 1.0027 0.9193 0.0295 0.1638 0.3603 89 GLU F C 8459 O O . GLU F 89 ? 0.4506 0.9439 0.9433 -0.0100 0.1573 0.3326 89 GLU F O 8460 C CB . GLU F 89 ? 0.4882 1.1078 1.1017 0.0557 0.2323 0.4678 89 GLU F CB 8461 C CG . GLU F 89 ? 0.5214 1.2191 1.2113 0.1023 0.2838 0.5667 89 GLU F CG 8462 C CD . GLU F 89 ? 0.5605 1.3244 1.1434 0.1668 0.2849 0.5899 89 GLU F CD 8463 O OE1 . GLU F 89 ? 0.5566 1.3005 1.0681 0.1585 0.2532 0.5356 89 GLU F OE1 8464 O OE2 . GLU F 89 ? 0.5957 1.4417 1.1699 0.2318 0.3191 0.6644 89 GLU F OE2 8465 N N . PRO F 90 ? 0.4772 1.0037 0.8314 0.0430 0.1330 0.3252 90 PRO F N 8466 C CA . PRO F 90 ? 0.4539 0.9358 0.7755 0.0060 0.0961 0.2663 90 PRO F CA 8467 C C . PRO F 90 ? 0.4259 0.9125 0.8209 -0.0345 0.0986 0.2479 90 PRO F C 8468 O O . PRO F 90 ? 0.4251 0.9448 0.8772 -0.0311 0.1186 0.2715 90 PRO F O 8469 C CB . PRO F 90 ? 0.4756 0.9600 0.7130 0.0379 0.0709 0.2480 90 PRO F CB 8470 C CG . PRO F 90 ? 0.5138 1.0381 0.7109 0.0954 0.0827 0.2761 90 PRO F CG 8471 C CD . PRO F 90 ? 0.5125 1.0802 0.7884 0.1012 0.1296 0.3382 90 PRO F CD 8472 N N . LYS F 91 ? 0.4056 0.8719 0.8027 -0.0679 0.0772 0.2057 91 LYS F N 8473 C CA . LYS F 91 ? 0.3860 0.8760 0.8448 -0.0989 0.0716 0.1724 91 LYS F CA 8474 C C . LYS F 91 ? 0.3794 0.8885 0.7809 -0.0963 0.0484 0.1540 91 LYS F C 8475 O O . LYS F 91 ? 0.3809 0.8706 0.7155 -0.0881 0.0295 0.1509 91 LYS F O 8476 C CB . LYS F 91 ? 0.3754 0.8564 0.8713 -0.1246 0.0640 0.1364 91 LYS F CB 8477 C CG . LYS F 91 ? 0.3707 0.8907 0.9552 -0.1495 0.0576 0.0880 91 LYS F CG 8478 C CD . LYS F 91 ? 0.3834 0.8933 1.0152 -0.1645 0.0545 0.0519 91 LYS F CD 8479 C CE . LYS F 91 ? 0.3837 0.9516 1.0447 -0.1757 0.0294 -0.0201 91 LYS F CE 8480 N NZ . LYS F 91 ? 0.3818 0.9487 1.0289 -0.1755 0.0206 -0.0513 91 LYS F NZ 8481 N N . THR F 92 ? 0.3737 0.9247 0.8173 -0.1025 0.0509 0.1467 92 THR F N 8482 C CA . THR F 92 ? 0.3686 0.9514 0.7701 -0.0968 0.0336 0.1369 92 THR F CA 8483 C C . THR F 92 ? 0.3554 1.0012 0.8114 -0.1180 0.0221 0.0941 92 THR F C 8484 O O . THR F 92 ? 0.3538 1.0279 0.8973 -0.1319 0.0294 0.0782 92 THR F O 8485 C CB . THR F 92 ? 0.3810 0.9748 0.7683 -0.0725 0.0447 0.1682 92 THR F CB 8486 O OG1 . THR F 92 ? 0.4001 0.9578 0.7470 -0.0431 0.0559 0.1986 92 THR F OG1 8487 C CG2 . THR F 92 ? 0.3802 0.9936 0.7169 -0.0602 0.0279 0.1665 92 THR F CG2 8488 N N . VAL F 93 ? 0.3505 1.0290 0.7656 -0.1164 0.0033 0.0759 93 VAL F N 8489 C CA . VAL F 93 ? 0.3453 1.1149 0.7919 -0.1209 -0.0118 0.0327 93 VAL F CA 8490 C C . VAL F 93 ? 0.3458 1.1700 0.7443 -0.1004 -0.0189 0.0562 93 VAL F C 8491 O O . VAL F 93 ? 0.3493 1.1494 0.6930 -0.0854 -0.0196 0.0949 93 VAL F O 8492 C CB . VAL F 93 ? 0.3430 1.1477 0.7958 -0.1249 -0.0249 -0.0096 93 VAL F CB 8493 C CG1 . VAL F 93 ? 0.3461 1.0992 0.8658 -0.1446 -0.0168 -0.0358 93 VAL F CG1 8494 C CG2 . VAL F 93 ? 0.3429 1.1365 0.7226 -0.1098 -0.0276 0.0268 93 VAL F CG2 8495 N N . TYR F 94 ? 0.3450 1.2446 0.7804 -0.0996 -0.0243 0.0346 94 TYR F N 8496 C CA . TYR F 94 ? 0.3463 1.3109 0.7467 -0.0773 -0.0279 0.0609 94 TYR F CA 8497 C C . TYR F 94 ? 0.3468 1.4253 0.7307 -0.0593 -0.0430 0.0423 94 TYR F C 8498 O O . TYR F 94 ? 0.3477 1.4820 0.7619 -0.0644 -0.0568 -0.0164 94 TYR F O 8499 C CB . TYR F 94 ? 0.3468 1.3505 0.7951 -0.0806 -0.0255 0.0524 94 TYR F CB 8500 C CG . TYR F 94 ? 0.3539 1.2713 0.8113 -0.0838 -0.0050 0.0887 94 TYR F CG 8501 C CD1 . TYR F 94 ? 0.3580 1.2355 0.8861 -0.1042 0.0057 0.0768 94 TYR F CD1 8502 C CD2 . TYR F 94 ? 0.3661 1.2515 0.7693 -0.0596 0.0049 0.1378 94 TYR F CD2 8503 C CE1 . TYR F 94 ? 0.3680 1.1919 0.9022 -0.0954 0.0293 0.1223 94 TYR F CE1 8504 C CE2 . TYR F 94 ? 0.3815 1.2094 0.7832 -0.0499 0.0230 0.1674 94 TYR F CE2 8505 C CZ . TYR F 94 ? 0.3809 1.1863 0.8429 -0.0653 0.0367 0.1641 94 TYR F CZ 8506 O OH . TYR F 94 ? 0.4018 1.1758 0.8608 -0.0445 0.0591 0.2050 94 TYR F OH 8507 N N . TRP F 95 ? 0.3508 1.4714 0.6938 -0.0325 -0.0391 0.0950 95 TRP F N 8508 C CA . TRP F 95 ? 0.3580 1.6220 0.6879 -0.0022 -0.0473 0.0960 95 TRP F CA 8509 C C . TRP F 95 ? 0.3627 1.7477 0.7241 0.0048 -0.0622 0.0433 95 TRP F C 8510 O O . TRP F 95 ? 0.3589 1.7387 0.7346 0.0023 -0.0576 0.0582 95 TRP F O 8511 C CB . TRP F 95 ? 0.3632 1.6438 0.6673 0.0270 -0.0333 0.1834 95 TRP F CB 8512 C CG . TRP F 95 ? 0.3755 1.8320 0.6708 0.0698 -0.0343 0.2061 95 TRP F CG 8513 C CD1 . TRP F 95 ? 0.3830 1.9347 0.6659 0.0926 -0.0377 0.2018 95 TRP F CD1 8514 C CD2 . TRP F 95 ? 0.3842 1.9594 0.6808 0.1033 -0.0292 0.2426 95 TRP F CD2 8515 N NE1 . TRP F 95 ? 0.3934 2.1266 0.6673 0.1429 -0.0344 0.2355 95 TRP F NE1 8516 C CE2 . TRP F 95 ? 0.3953 2.1455 0.6789 0.1492 -0.0291 0.2621 95 TRP F CE2 8517 C CE3 . TRP F 95 ? 0.3840 1.9452 0.6907 0.1043 -0.0231 0.2644 95 TRP F CE3 8518 C CZ2 . TRP F 95 ? 0.4072 2.3237 0.6886 0.1971 -0.0225 0.3059 95 TRP F CZ2 8519 C CZ3 . TRP F 95 ? 0.3939 2.1069 0.7010 0.1464 -0.0174 0.3051 95 TRP F CZ3 8520 C CH2 . TRP F 95 ? 0.4037 2.2951 0.6987 0.1927 -0.0168 0.3271 95 TRP F CH2 8521 N N . ASP F 96 ? 0.3740 1.8725 0.7515 0.0161 -0.0828 -0.0250 96 ASP F N 8522 C CA . ASP F 96 ? 0.3870 2.0306 0.8003 0.0308 -0.1060 -0.0895 96 ASP F CA 8523 C C . ASP F 96 ? 0.4049 2.2329 0.7714 0.0872 -0.1131 -0.0796 96 ASP F C 8524 O O . ASP F 96 ? 0.4164 2.2940 0.7623 0.1064 -0.1191 -0.1018 96 ASP F O 8525 C CB . ASP F 96 ? 0.3949 2.0313 0.8915 0.0020 -0.1313 -0.1988 96 ASP F CB 8526 C CG . ASP F 96 ? 0.4096 2.1683 0.9771 0.0057 -0.1602 -0.2745 96 ASP F CG 8527 O OD1 . ASP F 96 ? 0.4018 2.2326 0.9470 0.0249 -0.1562 -0.2344 96 ASP F OD1 8528 O OD2 . ASP F 96 ? 0.4291 2.2124 1.0878 -0.0107 -0.1886 -0.3773 96 ASP F OD2 8529 N N . ARG F 97 ? 0.4103 2.3498 0.7609 0.1193 -0.1094 -0.0387 97 ARG F N 8530 C CA . ARG F 97 ? 0.4315 2.5769 0.7411 0.1846 -0.1105 -0.0107 97 ARG F CA 8531 C C . ARG F 97 ? 0.4597 2.7680 0.7771 0.2139 -0.1467 -0.1249 97 ARG F C 8532 O O . ARG F 97 ? 0.4836 2.9806 0.7585 0.2781 -0.1482 -0.1097 97 ARG F O 8533 C CB . ARG F 97 ? 0.4341 2.6824 0.7415 0.2128 -0.1038 0.0374 97 ARG F CB 8534 N N . ASP F 98 ? 0.4630 2.7035 0.8454 0.1713 -0.1750 -0.2374 98 ASP F N 8535 C CA . ASP F 98 ? 0.4960 2.8633 0.9130 0.1922 -0.2166 -0.3709 98 ASP F CA 8536 C C . ASP F 98 ? 0.5055 2.8601 0.8834 0.2090 -0.2102 -0.3725 98 ASP F C 8537 O O . ASP F 98 ? 0.4833 2.6529 0.8639 0.1659 -0.1882 -0.3319 98 ASP F O 8538 C CB . ASP F 98 ? 0.4965 2.7675 1.0313 0.1344 -0.2445 -0.4779 98 ASP F CB 8539 C CG . ASP F 98 ? 0.5402 2.9825 1.1452 0.1610 -0.2998 -0.6336 98 ASP F CG 8540 O OD1 . ASP F 98 ? 0.5463 3.0465 1.2296 0.1495 -0.3263 -0.6913 98 ASP F OD1 8541 O OD2 . ASP F 98 ? 0.5696 3.0939 1.1581 0.1956 -0.3191 -0.7030 98 ASP F OD2 8542 N N . THR G 3 ? 0.4383 0.5572 0.9244 0.1388 -0.0240 -0.1415 1 THR G N 8543 C CA . THR G 3 ? 0.4186 0.5626 0.8784 0.1229 -0.0099 -0.1187 1 THR G CA 8544 C C . THR G 3 ? 0.4072 0.5151 0.8716 0.1237 -0.0338 -0.0822 1 THR G C 8545 O O . THR G 3 ? 0.4210 0.4962 0.9202 0.1373 -0.0613 -0.0784 1 THR G O 8546 C CB . THR G 3 ? 0.4106 0.5584 0.8008 0.0985 0.0104 -0.0992 1 THR G CB 8547 O OG1 . THR G 3 ? 0.4049 0.5006 0.7596 0.0930 -0.0035 -0.0655 1 THR G OG1 8548 C CG2 . THR G 3 ? 0.4273 0.6050 0.8030 0.0934 0.0295 -0.1301 1 THR G CG2 8549 N N . GLN G 4 ? 0.3868 0.5005 0.8159 0.1071 -0.0253 -0.0555 2 GLN G N 8550 C CA . GLN G 4 ? 0.3773 0.4621 0.8007 0.1032 -0.0449 -0.0223 2 GLN G CA 8551 C C . GLN G 4 ? 0.3714 0.4141 0.7463 0.0916 -0.0513 0.0062 2 GLN G C 8552 O O . GLN G 4 ? 0.3733 0.3899 0.7432 0.0878 -0.0703 0.0304 2 GLN G O 8553 C CB . GLN G 4 ? 0.3641 0.4781 0.7805 0.0916 -0.0343 -0.0126 2 GLN G CB 8554 C CG . GLN G 4 ? 0.3697 0.5244 0.8431 0.1027 -0.0353 -0.0347 2 GLN G CG 8555 C CD . GLN G 4 ? 0.3668 0.5443 0.8338 0.0893 -0.0299 -0.0200 2 GLN G CD 8556 O OE1 . GLN G 4 ? 0.3727 0.5450 0.8650 0.0934 -0.0493 -0.0086 2 GLN G OE1 8557 N NE2 . GLN G 4 ? 0.3663 0.5673 0.7988 0.0710 -0.0064 -0.0182 2 GLN G NE2 8558 N N . VAL G 5 ? 0.3668 0.4078 0.7062 0.0841 -0.0356 0.0026 3 VAL G N 8559 C CA . VAL G 5 ? 0.3625 0.3705 0.6619 0.0742 -0.0397 0.0241 3 VAL G CA 8560 C C . VAL G 5 ? 0.3739 0.3690 0.6696 0.0789 -0.0391 0.0098 3 VAL G C 8561 O O . VAL G 5 ? 0.3763 0.3915 0.6586 0.0761 -0.0222 -0.0066 3 VAL G O 8562 C CB . VAL G 5 ? 0.3462 0.3612 0.6050 0.0583 -0.0250 0.0384 3 VAL G CB 8563 C CG1 . VAL G 5 ? 0.3476 0.3346 0.5754 0.0507 -0.0296 0.0549 3 VAL G CG1 8564 C CG2 . VAL G 5 ? 0.3358 0.3621 0.5994 0.0529 -0.0267 0.0501 3 VAL G CG2 8565 N N . GLU G 6 ? 0.3859 0.3482 0.6918 0.0830 -0.0591 0.0175 4 GLU G N 8566 C CA . GLU G 6 ? 0.4021 0.3482 0.7100 0.0874 -0.0627 0.0037 4 GLU G CA 8567 C C . GLU G 6 ? 0.3964 0.3168 0.6676 0.0742 -0.0663 0.0260 4 GLU G C 8568 O O . GLU G 6 ? 0.3944 0.2993 0.6556 0.0651 -0.0776 0.0511 4 GLU G O 8569 C CB . GLU G 6 ? 0.4275 0.3548 0.7858 0.1027 -0.0865 -0.0088 4 GLU G CB 8570 C CG . GLU G 6 ? 0.4524 0.4087 0.8609 0.1195 -0.0855 -0.0373 4 GLU G CG 8571 C CD . GLU G 6 ? 0.4779 0.4744 0.8891 0.1242 -0.0601 -0.0761 4 GLU G CD 8572 O OE1 . GLU G 6 ? 0.5024 0.5026 0.9547 0.1395 -0.0659 -0.1106 4 GLU G OE1 8573 O OE2 . GLU G 6 ? 0.4687 0.4940 0.8418 0.1108 -0.0360 -0.0725 4 GLU G OE2 8574 N N . GLN G 7 ? 0.3937 0.3148 0.6454 0.0714 -0.0566 0.0152 5 GLN G N 8575 C CA . GLN G 7 ? 0.3876 0.2907 0.6098 0.0596 -0.0589 0.0323 5 GLN G CA 8576 C C . GLN G 7 ? 0.4039 0.2853 0.6352 0.0619 -0.0703 0.0225 5 GLN G C 8577 O O . GLN G 7 ? 0.4168 0.3045 0.6647 0.0716 -0.0679 -0.0045 5 GLN G O 8578 C CB . GLN G 7 ? 0.3737 0.2941 0.5626 0.0510 -0.0413 0.0345 5 GLN G CB 8579 C CG . GLN G 7 ? 0.3581 0.2922 0.5372 0.0457 -0.0340 0.0480 5 GLN G CG 8580 C CD . GLN G 7 ? 0.3583 0.3003 0.5104 0.0366 -0.0243 0.0540 5 GLN G CD 8581 O OE1 . GLN G 7 ? 0.3670 0.3265 0.5127 0.0332 -0.0154 0.0529 5 GLN G OE1 8582 N NE2 . GLN G 7 ? 0.3591 0.2885 0.4984 0.0315 -0.0284 0.0611 5 GLN G NE2 8583 N N . SER G 8 ? 0.4054 0.2648 0.6265 0.0512 -0.0823 0.0428 6 SER G N 8584 C CA . SER G 8 ? 0.4238 0.2590 0.6533 0.0494 -0.0963 0.0387 6 SER G CA 8585 C C . SER G 8 ? 0.4153 0.2484 0.6156 0.0330 -0.0936 0.0561 6 SER G C 8586 O O . SER G 8 ? 0.4046 0.2460 0.5894 0.0223 -0.0903 0.0759 6 SER G O 8587 C CB . SER G 8 ? 0.4492 0.2557 0.7112 0.0510 -0.1234 0.0485 6 SER G CB 8588 O OG . SER G 8 ? 0.4755 0.2549 0.7531 0.0504 -0.1403 0.0414 6 SER G OG 8589 N N . PRO G 9 ? 0.4227 0.2492 0.6174 0.0309 -0.0943 0.0455 7 PRO G N 8590 C CA . PRO G 9 ? 0.4386 0.2616 0.6471 0.0418 -0.0953 0.0165 7 PRO G CA 8591 C C . PRO G 9 ? 0.4265 0.2806 0.6170 0.0465 -0.0741 -0.0012 7 PRO G C 8592 O O . PRO G 9 ? 0.4047 0.2760 0.5745 0.0415 -0.0621 0.0121 7 PRO G O 8593 C CB . PRO G 9 ? 0.4524 0.2596 0.6534 0.0315 -0.1043 0.0187 7 PRO G CB 8594 C CG . PRO G 9 ? 0.4295 0.2483 0.6052 0.0173 -0.0972 0.0422 7 PRO G CG 8595 C CD . PRO G 9 ? 0.4186 0.2449 0.5942 0.0156 -0.0946 0.0601 7 PRO G CD 8596 N N . GLN G 10 ? 0.4444 0.3065 0.6433 0.0539 -0.0710 -0.0317 8 GLN G N 8597 C CA . GLN G 10 ? 0.4430 0.3396 0.6201 0.0522 -0.0518 -0.0481 8 GLN G CA 8598 C C . GLN G 10 ? 0.4366 0.3378 0.5765 0.0382 -0.0478 -0.0333 8 GLN G C 8599 O O . GLN G 10 ? 0.4277 0.3484 0.5443 0.0311 -0.0373 -0.0223 8 GLN G O 8600 C CB . GLN G 10 ? 0.4696 0.3798 0.6641 0.0606 -0.0491 -0.0889 8 GLN G CB 8601 C CG . GLN G 10 ? 0.4811 0.4353 0.6486 0.0530 -0.0283 -0.1070 8 GLN G CG 8602 C CD . GLN G 10 ? 0.5095 0.4909 0.7038 0.0630 -0.0209 -0.1535 8 GLN G CD 8603 O OE1 . GLN G 10 ? 0.5077 0.5024 0.7360 0.0753 -0.0176 -0.1672 8 GLN G OE1 8604 N NE2 . GLN G 10 ? 0.5393 0.5327 0.7211 0.0577 -0.0186 -0.1813 8 GLN G NE2 8605 N N . SER G 11 ? 0.4455 0.3273 0.5842 0.0337 -0.0593 -0.0326 9 SER G N 8606 C CA . SER G 11 ? 0.4398 0.3239 0.5524 0.0217 -0.0604 -0.0186 9 SER G CA 8607 C C . SER G 11 ? 0.4445 0.3034 0.5687 0.0173 -0.0755 -0.0098 9 SER G C 8608 O O . SER G 11 ? 0.4601 0.2983 0.6080 0.0218 -0.0866 -0.0191 9 SER G O 8609 C CB . SER G 11 ? 0.4596 0.3638 0.5486 0.0154 -0.0551 -0.0376 9 SER G CB 8610 O OG . SER G 11 ? 0.4839 0.3822 0.5867 0.0199 -0.0602 -0.0674 9 SER G OG 8611 N N . LEU G 12 ? 0.4327 0.2944 0.5443 0.0078 -0.0776 0.0077 10 LEU G N 8612 C CA . LEU G 12 ? 0.4373 0.2839 0.5586 -0.0006 -0.0899 0.0165 10 LEU G CA 8613 C C . LEU G 12 ? 0.4321 0.2914 0.5405 -0.0094 -0.0916 0.0233 10 LEU G C 8614 O O . LEU G 12 ? 0.4202 0.2960 0.5169 -0.0089 -0.0856 0.0304 10 LEU G O 8615 C CB . LEU G 12 ? 0.4251 0.2639 0.5604 -0.0046 -0.0931 0.0366 10 LEU G CB 8616 C CG . LEU G 12 ? 0.3992 0.2575 0.5289 -0.0091 -0.0844 0.0538 10 LEU G CG 8617 C CD1 . LEU G 12 ? 0.3986 0.2545 0.5379 -0.0218 -0.0901 0.0704 10 LEU G CD1 8618 C CD2 . LEU G 12 ? 0.3789 0.2473 0.5034 0.0002 -0.0733 0.0541 10 LEU G CD2 8619 N N . VAL G 13 ? 0.4449 0.2950 0.5596 -0.0178 -0.1029 0.0215 11 VAL G N 8620 C CA . VAL G 13 ? 0.4438 0.3068 0.5531 -0.0260 -0.1079 0.0263 11 VAL G CA 8621 C C . VAL G 13 ? 0.4379 0.3038 0.5653 -0.0365 -0.1126 0.0404 11 VAL G C 8622 O O . VAL G 13 ? 0.4549 0.3045 0.5932 -0.0445 -0.1209 0.0417 11 VAL G O 8623 C CB . VAL G 13 ? 0.4694 0.3272 0.5687 -0.0302 -0.1172 0.0089 11 VAL G CB 8624 C CG1 . VAL G 13 ? 0.4666 0.3384 0.5626 -0.0389 -0.1256 0.0159 11 VAL G CG1 8625 C CG2 . VAL G 13 ? 0.4796 0.3442 0.5581 -0.0242 -0.1100 -0.0086 11 VAL G CG2 8626 N N . VAL G 14 ? 0.4193 0.3081 0.5526 -0.0380 -0.1082 0.0498 12 VAL G N 8627 C CA . VAL G 14 ? 0.4137 0.3188 0.5657 -0.0503 -0.1090 0.0585 12 VAL G CA 8628 C C . VAL G 14 ? 0.4109 0.3383 0.5754 -0.0537 -0.1150 0.0560 12 VAL G C 8629 O O . VAL G 14 ? 0.4086 0.3399 0.5681 -0.0451 -0.1188 0.0529 12 VAL G O 8630 C CB . VAL G 14 ? 0.3939 0.3154 0.5525 -0.0505 -0.0970 0.0668 12 VAL G CB 8631 C CG1 . VAL G 14 ? 0.4007 0.3007 0.5507 -0.0491 -0.0953 0.0723 12 VAL G CG1 8632 C CG2 . VAL G 14 ? 0.3763 0.3135 0.5370 -0.0378 -0.0903 0.0636 12 VAL G CG2 8633 N N . ARG G 15 ? 0.4157 0.3589 0.5981 -0.0684 -0.1181 0.0588 13 ARG G N 8634 C CA . ARG G 15 ? 0.4116 0.3839 0.6162 -0.0716 -0.1233 0.0548 13 ARG G CA 8635 C C . ARG G 15 ? 0.3881 0.3952 0.6155 -0.0674 -0.1121 0.0525 13 ARG G C 8636 O O . ARG G 15 ? 0.3821 0.3996 0.6090 -0.0739 -0.0998 0.0560 13 ARG G O 8637 C CB . ARG G 15 ? 0.4259 0.4059 0.6431 -0.0914 -0.1308 0.0565 13 ARG G CB 8638 C CG . ARG G 15 ? 0.4571 0.4093 0.6614 -0.0944 -0.1464 0.0521 13 ARG G CG 8639 C CD . ARG G 15 ? 0.4870 0.4445 0.7061 -0.1165 -0.1555 0.0553 13 ARG G CD 8640 N NE . ARG G 15 ? 0.5068 0.4601 0.7271 -0.1327 -0.1507 0.0679 13 ARG G NE 8641 C CZ . ARG G 15 ? 0.5320 0.4805 0.7602 -0.1565 -0.1605 0.0766 13 ARG G CZ 8642 N NH1 . ARG G 15 ? 0.5509 0.4985 0.7886 -0.1656 -0.1743 0.0710 13 ARG G NH1 8643 N NH2 . ARG G 15 ? 0.5471 0.4909 0.7729 -0.1739 -0.1589 0.0932 13 ARG G NH2 8644 N N . GLN G 16 ? 0.3801 0.4053 0.6293 -0.0573 -0.1186 0.0455 14 GLN G N 8645 C CA . GLN G 16 ? 0.3628 0.4220 0.6442 -0.0497 -0.1112 0.0361 14 GLN G CA 8646 C C . GLN G 16 ? 0.3578 0.4579 0.6586 -0.0661 -0.0965 0.0298 14 GLN G C 8647 O O . GLN G 16 ? 0.3679 0.4838 0.6765 -0.0834 -0.0988 0.0309 14 GLN G O 8648 C CB . GLN G 16 ? 0.3640 0.4367 0.6780 -0.0393 -0.1281 0.0289 14 GLN G CB 8649 C CG . GLN G 16 ? 0.3489 0.4565 0.7094 -0.0278 -0.1253 0.0129 14 GLN G CG 8650 C CD . GLN G 16 ? 0.3545 0.4806 0.7601 -0.0200 -0.1461 0.0044 14 GLN G CD 8651 O OE1 . GLN G 16 ? 0.3716 0.4715 0.7655 -0.0169 -0.1676 0.0163 14 GLN G OE1 8652 N NE2 . GLN G 16 ? 0.3439 0.5193 0.8029 -0.0180 -0.1407 -0.0175 14 GLN G NE2 8653 N N . GLY G 17 ? 0.3460 0.4658 0.6525 -0.0635 -0.0817 0.0232 15 GLY G N 8654 C CA . GLY G 17 ? 0.3454 0.5134 0.6659 -0.0827 -0.0656 0.0153 15 GLY G CA 8655 C C . GLY G 17 ? 0.3586 0.5127 0.6419 -0.1026 -0.0576 0.0334 15 GLY G C 8656 O O . GLY G 17 ? 0.3612 0.5549 0.6458 -0.1231 -0.0441 0.0313 15 GLY G O 8657 N N . GLU G 18 ? 0.3679 0.4686 0.6199 -0.0981 -0.0675 0.0501 16 GLU G N 8658 C CA . GLU G 18 ? 0.3844 0.4629 0.6075 -0.1135 -0.0668 0.0686 16 GLU G CA 8659 C C . GLU G 18 ? 0.3717 0.4398 0.5802 -0.1014 -0.0588 0.0695 16 GLU G C 8660 O O . GLU G 18 ? 0.3556 0.4168 0.5698 -0.0792 -0.0573 0.0593 16 GLU G O 8661 C CB . GLU G 18 ? 0.4043 0.4333 0.6111 -0.1137 -0.0832 0.0805 16 GLU G CB 8662 C CG . GLU G 18 ? 0.4314 0.4677 0.6493 -0.1327 -0.0931 0.0835 16 GLU G CG 8663 C CD . GLU G 18 ? 0.4719 0.4586 0.6782 -0.1301 -0.1108 0.0882 16 GLU G CD 8664 O OE1 . GLU G 18 ? 0.4746 0.4259 0.6658 -0.1119 -0.1138 0.0857 16 GLU G OE1 8665 O OE2 . GLU G 18 ? 0.4880 0.4744 0.7025 -0.1472 -0.1215 0.0916 16 GLU G OE2 8666 N N . ASN G 19 ? 0.3843 0.4514 0.5745 -0.1186 -0.0560 0.0839 17 ASN G N 8667 C CA . ASN G 19 ? 0.3784 0.4344 0.5537 -0.1097 -0.0507 0.0870 17 ASN G CA 8668 C C . ASN G 19 ? 0.3888 0.3915 0.5478 -0.0990 -0.0632 0.0997 17 ASN G C 8669 O O . ASN G 19 ? 0.4089 0.3848 0.5651 -0.1066 -0.0767 0.1097 17 ASN G O 8670 C CB . ASN G 19 ? 0.3899 0.4782 0.5536 -0.1360 -0.0428 0.0960 17 ASN G CB 8671 C CG . ASN G 19 ? 0.3867 0.5385 0.5679 -0.1530 -0.0285 0.0798 17 ASN G CG 8672 O OD1 . ASN G 19 ? 0.3745 0.5491 0.5839 -0.1368 -0.0223 0.0561 17 ASN G OD1 8673 N ND2 . ASN G 19 ? 0.4057 0.5894 0.5725 -0.1874 -0.0246 0.0924 17 ASN G ND2 8674 N N . CYS G 20 ? 0.3775 0.3669 0.5300 -0.0815 -0.0593 0.0966 18 CYS G N 8675 C CA . CYS G 20 ? 0.3883 0.3372 0.5304 -0.0719 -0.0687 0.1049 18 CYS G CA 8676 C C . CYS G 20 ? 0.3835 0.3346 0.5174 -0.0695 -0.0639 0.1101 18 CYS G C 8677 O O . CYS G 20 ? 0.3683 0.3463 0.5035 -0.0672 -0.0519 0.1018 18 CYS G O 8678 C CB . CYS G 20 ? 0.3799 0.3075 0.5234 -0.0507 -0.0710 0.0929 18 CYS G CB 8679 S SG . CYS G 20 ? 0.3652 0.3104 0.5127 -0.0339 -0.0605 0.0800 18 CYS G SG 8680 N N . VAL G 21 ? 0.4010 0.3236 0.5307 -0.0697 -0.0755 0.1223 19 VAL G N 8681 C CA . VAL G 21 ? 0.4015 0.3230 0.5257 -0.0665 -0.0746 0.1284 19 VAL G CA 8682 C C . VAL G 21 ? 0.3972 0.2920 0.5282 -0.0435 -0.0779 0.1204 19 VAL G C 8683 O O . VAL G 21 ? 0.4119 0.2810 0.5518 -0.0373 -0.0888 0.1175 19 VAL G O 8684 C CB . VAL G 21 ? 0.4286 0.3453 0.5457 -0.0898 -0.0889 0.1522 19 VAL G CB 8685 C CG1 . VAL G 21 ? 0.4282 0.3526 0.5377 -0.0896 -0.0874 0.1583 19 VAL G CG1 8686 C CG2 . VAL G 21 ? 0.4447 0.3927 0.5530 -0.1186 -0.0855 0.1603 19 VAL G CG2 8687 N N . LEU G 22 ? 0.3809 0.2852 0.5099 -0.0323 -0.0682 0.1144 20 LEU G N 8688 C CA . LEU G 22 ? 0.3798 0.2688 0.5157 -0.0143 -0.0689 0.1065 20 LEU G CA 8689 C C . LEU G 22 ? 0.3892 0.2749 0.5295 -0.0149 -0.0755 0.1165 20 LEU G C 8690 O O . LEU G 22 ? 0.3888 0.2905 0.5197 -0.0271 -0.0735 0.1263 20 LEU G O 8691 C CB . LEU G 22 ? 0.3594 0.2609 0.4911 -0.0027 -0.0554 0.0936 20 LEU G CB 8692 C CG . LEU G 22 ? 0.3553 0.2621 0.4837 -0.0031 -0.0523 0.0864 20 LEU G CG 8693 C CD1 . LEU G 22 ? 0.3444 0.2573 0.4689 0.0058 -0.0456 0.0795 20 LEU G CD1 8694 C CD2 . LEU G 22 ? 0.3779 0.2684 0.5084 -0.0034 -0.0608 0.0823 20 LEU G CD2 8695 N N . GLN G 23 ? 0.4013 0.2693 0.5581 -0.0024 -0.0841 0.1116 21 GLN G N 8696 C CA . GLN G 23 ? 0.4160 0.2779 0.5849 -0.0015 -0.0961 0.1216 21 GLN G CA 8697 C C . GLN G 23 ? 0.3997 0.2718 0.5794 0.0152 -0.0866 0.1074 21 GLN G C 8698 O O . GLN G 23 ? 0.3953 0.2699 0.5815 0.0278 -0.0780 0.0885 21 GLN G O 8699 C CB . GLN G 23 ? 0.4496 0.2814 0.6414 -0.0015 -0.1210 0.1284 21 GLN G CB 8700 C CG . GLN G 23 ? 0.4947 0.3127 0.6783 -0.0216 -0.1340 0.1448 21 GLN G CG 8701 C CD . GLN G 23 ? 0.5416 0.3668 0.7086 -0.0477 -0.1448 0.1740 21 GLN G CD 8702 O OE1 . GLN G 23 ? 0.5389 0.3941 0.6840 -0.0569 -0.1290 0.1763 21 GLN G OE1 8703 N NE2 . GLN G 23 ? 0.5794 0.3778 0.7570 -0.0619 -0.1733 0.1959 21 GLN G NE2 8704 N N . CYS G 24 ? 0.3951 0.2769 0.5753 0.0125 -0.0884 0.1166 22 CYS G N 8705 C CA . CYS G 24 ? 0.3845 0.2785 0.5784 0.0254 -0.0817 0.1057 22 CYS G CA 8706 C C . CYS G 24 ? 0.3976 0.2851 0.6134 0.0264 -0.1009 0.1165 22 CYS G C 8707 O O . CYS G 24 ? 0.4100 0.2965 0.6137 0.0111 -0.1117 0.1369 22 CYS G O 8708 C CB . CYS G 24 ? 0.3656 0.2809 0.5400 0.0211 -0.0646 0.1047 22 CYS G CB 8709 S SG . CYS G 24 ? 0.3617 0.2953 0.5498 0.0318 -0.0547 0.0932 22 CYS G SG 8710 N N . ASN G 25 ? 0.3993 0.2859 0.6489 0.0432 -0.1061 0.1015 23 ASN G N 8711 C CA . ASN G 25 ? 0.4119 0.2926 0.6931 0.0479 -0.1279 0.1092 23 ASN G CA 8712 C C . ASN G 25 ? 0.3947 0.3017 0.6986 0.0616 -0.1167 0.0911 23 ASN G C 8713 O O . ASN G 25 ? 0.3888 0.3109 0.7049 0.0737 -0.1011 0.0655 23 ASN G O 8714 C CB . ASN G 25 ? 0.4418 0.2933 0.7592 0.0564 -0.1539 0.1069 23 ASN G CB 8715 C CG . ASN G 25 ? 0.4677 0.2921 0.7656 0.0369 -0.1723 0.1334 23 ASN G CG 8716 O OD1 . ASN G 25 ? 0.4860 0.3014 0.7779 0.0207 -0.1933 0.1618 23 ASN G OD1 8717 N ND2 . ASN G 25 ? 0.4740 0.2883 0.7606 0.0351 -0.1654 0.1254 23 ASN G ND2 8718 N N . TYR G 26 ? 0.3899 0.3064 0.6977 0.0569 -0.1245 0.1042 24 TYR G N 8719 C CA . TYR G 26 ? 0.3724 0.3184 0.6985 0.0655 -0.1125 0.0898 24 TYR G CA 8720 C C . TYR G 26 ? 0.3876 0.3350 0.7512 0.0705 -0.1365 0.0975 24 TYR G C 8721 O O . TYR G 26 ? 0.4090 0.3339 0.7729 0.0618 -0.1632 0.1211 24 TYR G O 8722 C CB . TYR G 26 ? 0.3497 0.3132 0.6374 0.0526 -0.0915 0.0951 24 TYR G CB 8723 C CG . TYR G 26 ? 0.3472 0.3052 0.6092 0.0355 -0.1013 0.1185 24 TYR G CG 8724 C CD1 . TYR G 26 ? 0.3487 0.3183 0.6213 0.0316 -0.1119 0.1270 24 TYR G CD1 8725 C CD2 . TYR G 26 ? 0.3442 0.2909 0.5720 0.0216 -0.0995 0.1295 24 TYR G CD2 8726 C CE1 . TYR G 26 ? 0.3557 0.3255 0.6011 0.0132 -0.1204 0.1455 24 TYR G CE1 8727 C CE2 . TYR G 26 ? 0.3495 0.3007 0.5528 0.0032 -0.1059 0.1458 24 TYR G CE2 8728 C CZ . TYR G 26 ? 0.3571 0.3197 0.5672 -0.0013 -0.1162 0.1535 24 TYR G CZ 8729 O OH . TYR G 26 ? 0.3714 0.3432 0.5538 -0.0221 -0.1221 0.1669 24 TYR G OH 8730 N N . SER G 27 ? 0.3789 0.3555 0.7742 0.0819 -0.1283 0.0787 25 SER G N 8731 C CA . SER G 27 ? 0.3909 0.3752 0.8293 0.0887 -0.1508 0.0827 25 SER G CA 8732 C C . SER G 27 ? 0.3739 0.3907 0.8041 0.0814 -0.1366 0.0833 25 SER G C 8733 O O . SER G 27 ? 0.3801 0.4101 0.8453 0.0856 -0.1527 0.0857 25 SER G O 8734 C CB . SER G 27 ? 0.4013 0.3944 0.9055 0.1131 -0.1595 0.0530 25 SER G CB 8735 O OG . SER G 27 ? 0.3841 0.4105 0.8901 0.1200 -0.1273 0.0205 25 SER G OG 8736 N N . VAL G 28 ? 0.3546 0.3821 0.7417 0.0699 -0.1096 0.0822 26 VAL G N 8737 C CA . VAL G 28 ? 0.3417 0.3960 0.7184 0.0606 -0.0952 0.0822 26 VAL G CA 8738 C C . VAL G 28 ? 0.3514 0.4038 0.7266 0.0507 -0.1150 0.1025 26 VAL G C 8739 O O . VAL G 28 ? 0.3644 0.3946 0.7108 0.0390 -0.1284 0.1223 26 VAL G O 8740 C CB . VAL G 28 ? 0.3269 0.3791 0.6558 0.0478 -0.0720 0.0840 26 VAL G CB 8741 C CG1 . VAL G 28 ? 0.3168 0.3896 0.6370 0.0363 -0.0621 0.0863 26 VAL G CG1 8742 C CG2 . VAL G 28 ? 0.3244 0.3828 0.6518 0.0542 -0.0540 0.0659 26 VAL G CG2 8743 N N . THR G 29 ? 0.3485 0.4289 0.7543 0.0530 -0.1167 0.0965 27 THR G N 8744 C CA . THR G 29 ? 0.3593 0.4428 0.7665 0.0429 -0.1365 0.1137 27 THR G CA 8745 C C . THR G 29 ? 0.3453 0.4552 0.7435 0.0320 -0.1203 0.1093 27 THR G C 8746 O O . THR G 29 ? 0.3364 0.4762 0.7637 0.0379 -0.1065 0.0925 27 THR G O 8747 C CB . THR G 29 ? 0.3765 0.4658 0.8419 0.0566 -0.1653 0.1140 27 THR G CB 8748 O OG1 . THR G 29 ? 0.3986 0.4584 0.8781 0.0667 -0.1840 0.1180 27 THR G OG1 8749 C CG2 . THR G 29 ? 0.3938 0.4838 0.8552 0.0430 -0.1906 0.1365 27 THR G CG2 8750 N N . PRO G 30 ? 0.3475 0.4488 0.7062 0.0142 -0.1218 0.1224 28 PRO G N 8751 C CA . PRO G 30 ? 0.3601 0.4366 0.6796 0.0029 -0.1324 0.1381 28 PRO G CA 8752 C C . PRO G 30 ? 0.3498 0.4110 0.6346 0.0008 -0.1118 0.1322 28 PRO G C 8753 O O . PRO G 30 ? 0.3330 0.3996 0.6217 0.0071 -0.0922 0.1191 28 PRO G O 8754 C CB . PRO G 30 ? 0.3680 0.4548 0.6677 -0.0150 -0.1393 0.1454 28 PRO G CB 8755 C CG . PRO G 30 ? 0.3536 0.4651 0.6802 -0.0128 -0.1304 0.1342 28 PRO G CG 8756 C CD . PRO G 30 ? 0.3401 0.4603 0.6926 0.0021 -0.1130 0.1198 28 PRO G CD 8757 N N . ASP G 31 ? 0.3617 0.4074 0.6136 -0.0100 -0.1177 0.1426 29 ASP G N 8758 C CA . ASP G 31 ? 0.3535 0.3867 0.5772 -0.0118 -0.1013 0.1369 29 ASP G CA 8759 C C . ASP G 31 ? 0.3568 0.3953 0.5472 -0.0285 -0.0957 0.1345 29 ASP G C 8760 O O . ASP G 31 ? 0.3763 0.4162 0.5435 -0.0428 -0.1049 0.1435 29 ASP G O 8761 C CB . ASP G 31 ? 0.3650 0.3795 0.5861 -0.0089 -0.1107 0.1458 29 ASP G CB 8762 C CG . ASP G 31 ? 0.3965 0.4062 0.6105 -0.0227 -0.1371 0.1676 29 ASP G CG 8763 O OD1 . ASP G 31 ? 0.4005 0.4208 0.6245 -0.0282 -0.1526 0.1759 29 ASP G OD1 8764 O OD2 . ASP G 31 ? 0.4176 0.4131 0.6153 -0.0305 -0.1442 0.1788 29 ASP G OD2 8765 N N . ASN G 32 ? 0.3429 0.3866 0.5328 -0.0282 -0.0818 0.1213 30 ASN G N 8766 C CA . ASN G 32 ? 0.3470 0.3962 0.5158 -0.0407 -0.0770 0.1113 30 ASN G CA 8767 C C . ASN G 32 ? 0.3443 0.3866 0.4946 -0.0417 -0.0670 0.1033 30 ASN G C 8768 O O . ASN G 32 ? 0.3566 0.4097 0.4859 -0.0546 -0.0684 0.1004 30 ASN G O 8769 C CB . ASN G 32 ? 0.3408 0.3923 0.5225 -0.0400 -0.0706 0.1007 30 ASN G CB 8770 C CG . ASN G 32 ? 0.3476 0.4003 0.5168 -0.0490 -0.0670 0.0841 30 ASN G CG 8771 O OD1 . ASN G 32 ? 0.3437 0.3847 0.5146 -0.0443 -0.0589 0.0736 30 ASN G OD1 8772 N ND2 . ASN G 32 ? 0.3626 0.4307 0.5222 -0.0620 -0.0750 0.0797 30 ASN G ND2 8773 N N . HIS G 33 ? 0.3304 0.3594 0.4885 -0.0299 -0.0570 0.0993 31 HIS G N 8774 C CA . HIS G 33 ? 0.3286 0.3516 0.4759 -0.0290 -0.0487 0.0908 31 HIS G CA 8775 C C . HIS G 33 ? 0.3195 0.3281 0.4720 -0.0176 -0.0447 0.0963 31 HIS G C 8776 O O . HIS G 33 ? 0.3158 0.3211 0.4820 -0.0097 -0.0441 0.1005 31 HIS G O 8777 C CB . HIS G 33 ? 0.3266 0.3478 0.4795 -0.0288 -0.0431 0.0736 31 HIS G CB 8778 C CG . HIS G 33 ? 0.3206 0.3288 0.4892 -0.0219 -0.0418 0.0765 31 HIS G CG 8779 N ND1 . HIS G 33 ? 0.3253 0.3376 0.5044 -0.0255 -0.0456 0.0804 31 HIS G ND1 8780 C CD2 . HIS G 33 ? 0.3161 0.3103 0.4890 -0.0155 -0.0381 0.0783 31 HIS G CD2 8781 C CE1 . HIS G 33 ? 0.3241 0.3273 0.5124 -0.0234 -0.0432 0.0850 31 HIS G CE1 8782 N NE2 . HIS G 33 ? 0.3189 0.3104 0.5019 -0.0178 -0.0395 0.0846 31 HIS G NE2 8783 N N . LEU G 34 ? 0.3187 0.3235 0.4610 -0.0182 -0.0411 0.0937 32 LEU G N 8784 C CA . LEU G 34 ? 0.3121 0.3036 0.4573 -0.0089 -0.0379 0.0966 32 LEU G CA 8785 C C . LEU G 34 ? 0.3074 0.2952 0.4508 -0.0070 -0.0312 0.0858 32 LEU G C 8786 O O . LEU G 34 ? 0.3127 0.3111 0.4512 -0.0135 -0.0292 0.0766 32 LEU G O 8787 C CB . LEU G 34 ? 0.3207 0.3083 0.4602 -0.0120 -0.0455 0.1073 32 LEU G CB 8788 C CG . LEU G 34 ? 0.3210 0.2936 0.4670 -0.0022 -0.0455 0.1090 32 LEU G CG 8789 C CD1 . LEU G 34 ? 0.3275 0.2918 0.4832 -0.0015 -0.0599 0.1204 32 LEU G CD1 8790 C CD2 . LEU G 34 ? 0.3247 0.2943 0.4602 -0.0051 -0.0405 0.1049 32 LEU G CD2 8791 N N . ARG G 35 ? 0.3005 0.2771 0.4495 0.0004 -0.0285 0.0861 33 ARG G N 8792 C CA . ARG G 35 ? 0.3003 0.2701 0.4526 0.0027 -0.0275 0.0789 33 ARG G CA 8793 C C . ARG G 35 ? 0.3007 0.2616 0.4482 0.0073 -0.0264 0.0828 33 ARG G C 8794 O O . ARG G 35 ? 0.3012 0.2593 0.4456 0.0100 -0.0250 0.0886 33 ARG G O 8795 C CB . ARG G 35 ? 0.3041 0.2667 0.4660 0.0023 -0.0309 0.0790 33 ARG G CB 8796 C CG . ARG G 35 ? 0.3104 0.2615 0.4831 0.0047 -0.0369 0.0731 33 ARG G CG 8797 C CD . ARG G 35 ? 0.3167 0.2543 0.4974 0.0007 -0.0455 0.0813 33 ARG G CD 8798 N NE . ARG G 35 ? 0.3287 0.2679 0.5206 -0.0033 -0.0492 0.0755 33 ARG G NE 8799 C CZ . ARG G 35 ? 0.3350 0.2703 0.5466 -0.0013 -0.0565 0.0588 33 ARG G CZ 8800 N NH1 . ARG G 35 ? 0.3382 0.2710 0.5641 0.0057 -0.0603 0.0454 33 ARG G NH1 8801 N NH2 . ARG G 35 ? 0.3434 0.2801 0.5643 -0.0061 -0.0603 0.0523 33 ARG G NH2 8802 N N . TRP G 36 ? 0.3004 0.2608 0.4502 0.0080 -0.0271 0.0763 34 TRP G N 8803 C CA . TRP G 36 ? 0.3033 0.2557 0.4489 0.0111 -0.0279 0.0789 34 TRP G CA 8804 C C . TRP G 36 ? 0.3104 0.2531 0.4632 0.0134 -0.0341 0.0789 34 TRP G C 8805 O O . TRP G 36 ? 0.3142 0.2577 0.4834 0.0150 -0.0392 0.0701 34 TRP G O 8806 C CB . TRP G 36 ? 0.3032 0.2639 0.4480 0.0079 -0.0267 0.0742 34 TRP G CB 8807 C CG . TRP G 36 ? 0.3044 0.2656 0.4393 0.0031 -0.0269 0.0823 34 TRP G CG 8808 C CD1 . TRP G 36 ? 0.3083 0.2805 0.4382 -0.0060 -0.0277 0.0857 34 TRP G CD1 8809 C CD2 . TRP G 36 ? 0.3096 0.2580 0.4409 0.0060 -0.0300 0.0881 34 TRP G CD2 8810 N NE1 . TRP G 36 ? 0.3181 0.2811 0.4434 -0.0091 -0.0343 0.0973 34 TRP G NE1 8811 C CE2 . TRP G 36 ? 0.3189 0.2665 0.4480 -0.0002 -0.0355 0.0964 34 TRP G CE2 8812 C CE3 . TRP G 36 ? 0.3126 0.2507 0.4426 0.0120 -0.0304 0.0862 34 TRP G CE3 8813 C CZ2 . TRP G 36 ? 0.3324 0.2647 0.4648 0.0021 -0.0432 0.1013 34 TRP G CZ2 8814 C CZ3 . TRP G 36 ? 0.3199 0.2481 0.4501 0.0141 -0.0343 0.0869 34 TRP G CZ3 8815 C CH2 . TRP G 36 ? 0.3310 0.2542 0.4658 0.0106 -0.0415 0.0937 34 TRP G CH2 8816 N N . PHE G 37 ? 0.3172 0.2525 0.4594 0.0124 -0.0354 0.0877 35 PHE G N 8817 C CA . PHE G 37 ? 0.3274 0.2523 0.4708 0.0099 -0.0455 0.0943 35 PHE G CA 8818 C C . PHE G 37 ? 0.3308 0.2529 0.4683 0.0109 -0.0490 0.0943 35 PHE G C 8819 O O . PHE G 37 ? 0.3281 0.2547 0.4560 0.0124 -0.0420 0.0907 35 PHE G O 8820 C CB . PHE G 37 ? 0.3387 0.2639 0.4685 0.0012 -0.0452 0.1061 35 PHE G CB 8821 C CG . PHE G 37 ? 0.3455 0.2674 0.4853 -0.0035 -0.0499 0.1109 35 PHE G CG 8822 C CD1 . PHE G 37 ? 0.3585 0.2641 0.5151 -0.0051 -0.0662 0.1147 35 PHE G CD1 8823 C CD2 . PHE G 37 ? 0.3474 0.2817 0.4848 -0.0064 -0.0407 0.1109 35 PHE G CD2 8824 C CE1 . PHE G 37 ? 0.3677 0.2663 0.5364 -0.0105 -0.0734 0.1185 35 PHE G CE1 8825 C CE2 . PHE G 37 ? 0.3594 0.2907 0.5066 -0.0127 -0.0459 0.1155 35 PHE G CE2 8826 C CZ . PHE G 37 ? 0.3698 0.2818 0.5315 -0.0154 -0.0624 0.1195 35 PHE G CZ 8827 N N . LYS G 38 ? 0.3406 0.2532 0.4871 0.0100 -0.0630 0.0987 36 LYS G N 8828 C CA . LYS G 38 ? 0.3478 0.2572 0.4874 0.0085 -0.0702 0.1020 36 LYS G CA 8829 C C . LYS G 38 ? 0.3723 0.2725 0.4981 -0.0025 -0.0836 0.1195 36 LYS G C 8830 O O . LYS G 38 ? 0.3858 0.2747 0.5238 -0.0060 -0.0965 0.1287 36 LYS G O 8831 C CB . LYS G 38 ? 0.3427 0.2530 0.5103 0.0159 -0.0791 0.0919 36 LYS G CB 8832 C CG . LYS G 38 ? 0.3509 0.2594 0.5156 0.0144 -0.0887 0.0950 36 LYS G CG 8833 C CD . LYS G 38 ? 0.3519 0.2637 0.5539 0.0222 -0.1013 0.0848 36 LYS G CD 8834 C CE . LYS G 38 ? 0.3671 0.2758 0.5685 0.0196 -0.1158 0.0911 36 LYS G CE 8835 N NZ . LYS G 38 ? 0.3787 0.2904 0.6256 0.0285 -0.1336 0.0818 36 LYS G NZ 8836 N N . GLN G 39 ? 0.3843 0.2898 0.4840 -0.0105 -0.0818 0.1243 37 GLN G N 8837 C CA . GLN G 39 ? 0.4155 0.3190 0.4934 -0.0274 -0.0939 0.1428 37 GLN G CA 8838 C C . GLN G 39 ? 0.4349 0.3380 0.5001 -0.0321 -0.1044 0.1456 37 GLN G C 8839 O O . GLN G 39 ? 0.4348 0.3505 0.4823 -0.0324 -0.0921 0.1341 37 GLN G O 8840 C CB . GLN G 39 ? 0.4202 0.3430 0.4715 -0.0389 -0.0775 0.1433 37 GLN G CB 8841 C CG . GLN G 39 ? 0.4530 0.3820 0.4766 -0.0635 -0.0879 0.1645 37 GLN G CG 8842 C CD . GLN G 39 ? 0.4574 0.4184 0.4554 -0.0764 -0.0674 0.1580 37 GLN G CD 8843 O OE1 . GLN G 39 ? 0.4499 0.4279 0.4464 -0.0668 -0.0489 0.1351 37 GLN G OE1 8844 N NE2 . GLN G 39 ? 0.4789 0.4499 0.4603 -0.0995 -0.0721 0.1773 37 GLN G NE2 8845 N N . ASP G 40 ? 0.4574 0.3451 0.5360 -0.0354 -0.1299 0.1598 38 ASP G N 8846 C CA . ASP G 40 ? 0.4857 0.3727 0.5513 -0.0433 -0.1455 0.1672 38 ASP G CA 8847 C C . ASP G 40 ? 0.5207 0.4209 0.5392 -0.0681 -0.1452 0.1818 38 ASP G C 8848 O O . ASP G 40 ? 0.5346 0.4392 0.5383 -0.0818 -0.1426 0.1943 38 ASP G O 8849 C CB . ASP G 40 ? 0.5056 0.3722 0.6044 -0.0403 -0.1778 0.1803 38 ASP G CB 8850 C CG . ASP G 40 ? 0.4850 0.3503 0.6326 -0.0171 -0.1761 0.1586 38 ASP G CG 8851 O OD1 . ASP G 40 ? 0.4804 0.3597 0.6291 -0.0091 -0.1608 0.1409 38 ASP G OD1 8852 O OD2 . ASP G 40 ? 0.4938 0.3464 0.6801 -0.0085 -0.1907 0.1580 38 ASP G OD2 8853 N N . THR G 41 ? 0.5382 0.4488 0.5328 -0.0761 -0.1472 0.1787 39 THR G N 8854 C CA . THR G 41 ? 0.5738 0.5074 0.5196 -0.1016 -0.1424 0.1848 39 THR G CA 8855 C C . THR G 41 ? 0.6136 0.5434 0.5404 -0.1278 -0.1637 0.2186 39 THR G C 8856 O O . THR G 41 ? 0.6363 0.5426 0.5763 -0.1328 -0.1964 0.2425 39 THR G O 8857 C CB . THR G 41 ? 0.5926 0.5349 0.5173 -0.1085 -0.1491 0.1783 39 THR G CB 8858 O OG1 . THR G 41 ? 0.6193 0.5420 0.5543 -0.1142 -0.1835 0.2021 39 THR G OG1 8859 C CG2 . THR G 41 ? 0.5592 0.5010 0.5049 -0.0855 -0.1325 0.1480 39 THR G CG2 8860 N N . GLY G 42 ? 0.6260 0.5795 0.5259 -0.1452 -0.1467 0.2205 40 GLY G N 8861 C CA . GLY G 42 ? 0.6681 0.6231 0.5446 -0.1767 -0.1645 0.2548 40 GLY G CA 8862 C C . GLY G 42 ? 0.6654 0.5827 0.5806 -0.1695 -0.1883 0.2764 40 GLY G C 8863 O O . GLY G 42 ? 0.7087 0.6076 0.6182 -0.1916 -0.2215 0.3116 40 GLY G O 8864 N N . LYS G 43 ? 0.6180 0.5236 0.5736 -0.1402 -0.1739 0.2552 41 LYS G N 8865 C CA . LYS G 43 ? 0.6109 0.4829 0.6088 -0.1301 -0.1945 0.2668 41 LYS G CA 8866 C C . LYS G 43 ? 0.5750 0.4524 0.5907 -0.1175 -0.1711 0.2504 41 LYS G C 8867 O O . LYS G 43 ? 0.5584 0.4661 0.5522 -0.1209 -0.1417 0.2363 41 LYS G O 8868 C CB . LYS G 43 ? 0.5982 0.4438 0.6411 -0.1053 -0.2149 0.2584 41 LYS G CB 8869 C CG . LYS G 43 ? 0.6452 0.4741 0.6845 -0.1200 -0.2534 0.2853 41 LYS G CG 8870 C CD . LYS G 43 ? 0.6444 0.4515 0.7395 -0.0937 -0.2745 0.2736 41 LYS G CD 8871 N N . GLY G 44 ? 0.5636 0.4130 0.6221 -0.1033 -0.1862 0.2506 42 GLY G N 8872 C CA . GLY G 44 ? 0.5375 0.3889 0.6130 -0.0952 -0.1704 0.2390 42 GLY G CA 8873 C C . GLY G 44 ? 0.4890 0.3493 0.5865 -0.0665 -0.1463 0.2053 42 GLY G C 8874 O O . GLY G 44 ? 0.4723 0.3340 0.5782 -0.0515 -0.1433 0.1903 42 GLY G O 8875 N N . LEU G 45 ? 0.4690 0.3362 0.5748 -0.0621 -0.1309 0.1956 43 LEU G N 8876 C CA . LEU G 45 ? 0.4278 0.3051 0.5494 -0.0406 -0.1101 0.1684 43 LEU G CA 8877 C C . LEU G 45 ? 0.4184 0.2781 0.5811 -0.0244 -0.1221 0.1552 43 LEU G C 8878 O O . LEU G 45 ? 0.4311 0.2762 0.6142 -0.0268 -0.1346 0.1587 43 LEU G O 8879 C CB . LEU G 45 ? 0.4161 0.3124 0.5284 -0.0445 -0.0900 0.1639 43 LEU G CB 8880 C CG . LEU G 45 ? 0.4130 0.3388 0.4952 -0.0548 -0.0704 0.1634 43 LEU G CG 8881 C CD1 . LEU G 45 ? 0.3972 0.3314 0.4655 -0.0481 -0.0628 0.1525 43 LEU G CD1 8882 C CD2 . LEU G 45 ? 0.4481 0.3830 0.5078 -0.0823 -0.0773 0.1862 43 LEU G CD2 8883 N N . VAL G 46 ? 0.4017 0.2660 0.5785 -0.0092 -0.1182 0.1375 44 VAL G N 8884 C CA . VAL G 46 ? 0.3917 0.2523 0.6091 0.0061 -0.1240 0.1164 44 VAL G CA 8885 C C . VAL G 46 ? 0.3607 0.2434 0.5752 0.0136 -0.0994 0.0959 44 VAL G C 8886 O O . VAL G 46 ? 0.3461 0.2433 0.5408 0.0144 -0.0839 0.0929 44 VAL G O 8887 C CB . VAL G 46 ? 0.3958 0.2542 0.6360 0.0151 -0.1375 0.1093 44 VAL G CB 8888 C CG1 . VAL G 46 ? 0.3835 0.2500 0.6702 0.0309 -0.1392 0.0799 44 VAL G CG1 8889 C CG2 . VAL G 46 ? 0.4295 0.2637 0.6735 0.0060 -0.1678 0.1335 44 VAL G CG2 8890 N N . SER G 47 ? 0.3566 0.2405 0.5910 0.0171 -0.0987 0.0828 45 SER G N 8891 C CA . SER G 47 ? 0.3372 0.2429 0.5661 0.0199 -0.0790 0.0663 45 SER G CA 8892 C C . SER G 47 ? 0.3296 0.2549 0.5758 0.0277 -0.0730 0.0434 45 SER G C 8893 O O . SER G 47 ? 0.3385 0.2638 0.6202 0.0353 -0.0842 0.0265 45 SER G O 8894 C CB . SER G 47 ? 0.3410 0.2441 0.5823 0.0178 -0.0814 0.0597 45 SER G CB 8895 O OG . SER G 47 ? 0.3147 0.2408 0.5506 0.0182 -0.0657 0.0437 45 SER G OG 8896 N N . LEU G 48 ? 0.3181 0.2618 0.5428 0.0246 -0.0569 0.0423 46 LEU G N 8897 C CA . LEU G 48 ? 0.3126 0.2808 0.5478 0.0259 -0.0494 0.0243 46 LEU G CA 8898 C C . LEU G 48 ? 0.3115 0.3061 0.5477 0.0207 -0.0379 0.0063 46 LEU G C 8899 O O . LEU G 48 ? 0.3142 0.3348 0.5731 0.0217 -0.0343 -0.0186 46 LEU G O 8900 C CB . LEU G 48 ? 0.3052 0.2765 0.5169 0.0214 -0.0427 0.0362 46 LEU G CB 8901 C CG . LEU G 48 ? 0.3092 0.2603 0.5137 0.0236 -0.0523 0.0514 46 LEU G CG 8902 C CD1 . LEU G 48 ? 0.2963 0.2502 0.4793 0.0191 -0.0455 0.0586 46 LEU G CD1 8903 C CD2 . LEU G 48 ? 0.3135 0.2617 0.5490 0.0304 -0.0671 0.0434 46 LEU G CD2 8904 N N . THR G 49 ? 0.3107 0.3030 0.5236 0.0141 -0.0326 0.0176 47 THR G N 8905 C CA . THR G 49 ? 0.3152 0.3318 0.5216 0.0055 -0.0241 0.0055 47 THR G CA 8906 C C . THR G 49 ? 0.3160 0.3226 0.5013 0.0005 -0.0241 0.0231 47 THR G C 8907 O O . THR G 49 ? 0.3133 0.3021 0.4859 0.0024 -0.0261 0.0432 47 THR G O 8908 C CB . THR G 49 ? 0.3169 0.3647 0.5106 -0.0061 -0.0137 0.0001 47 THR G CB 8909 O OG1 . THR G 49 ? 0.3323 0.4091 0.5174 -0.0186 -0.0068 -0.0126 47 THR G OG1 8910 C CG2 . THR G 49 ? 0.3118 0.3470 0.4793 -0.0116 -0.0138 0.0264 47 THR G CG2 8911 N N . VAL G 50 ? 0.3225 0.3443 0.5068 -0.0060 -0.0220 0.0124 48 VAL G N 8912 C CA . VAL G 50 ? 0.3236 0.3415 0.4913 -0.0118 -0.0234 0.0275 48 VAL G CA 8913 C C . VAL G 50 ? 0.3327 0.3786 0.4813 -0.0271 -0.0191 0.0250 48 VAL G C 8914 O O . VAL G 50 ? 0.3439 0.4172 0.4953 -0.0347 -0.0136 0.0026 48 VAL G O 8915 C CB . VAL G 50 ? 0.3279 0.3325 0.5101 -0.0084 -0.0301 0.0241 48 VAL G CB 8916 C CG1 . VAL G 50 ? 0.3401 0.3584 0.5420 -0.0092 -0.0312 -0.0051 48 VAL G CG1 8917 C CG2 . VAL G 50 ? 0.3275 0.3319 0.4967 -0.0141 -0.0316 0.0399 48 VAL G CG2 8918 N N . LEU G 51 ? 0.3333 0.3743 0.4642 -0.0328 -0.0229 0.0475 49 LEU G N 8919 C CA . LEU G 51 ? 0.3464 0.4091 0.4557 -0.0511 -0.0249 0.0544 49 LEU G CA 8920 C C . LEU G 51 ? 0.3520 0.4134 0.4580 -0.0546 -0.0328 0.0626 49 LEU G C 8921 O O . LEU G 51 ? 0.3426 0.3837 0.4606 -0.0431 -0.0374 0.0724 49 LEU G O 8922 C CB . LEU G 51 ? 0.3512 0.4055 0.4485 -0.0561 -0.0300 0.0764 49 LEU G CB 8923 C CG . LEU G 51 ? 0.3464 0.4054 0.4452 -0.0565 -0.0232 0.0703 49 LEU G CG 8924 C CD1 . LEU G 51 ? 0.3427 0.3727 0.4454 -0.0466 -0.0294 0.0874 49 LEU G CD1 8925 C CD2 . LEU G 51 ? 0.3631 0.4563 0.4423 -0.0811 -0.0199 0.0691 49 LEU G CD2 8926 N N . VAL G 52 ? 0.3690 0.4570 0.4581 -0.0729 -0.0343 0.0579 50 VAL G N 8927 C CA . VAL G 52 ? 0.3752 0.4681 0.4637 -0.0775 -0.0411 0.0573 50 VAL G CA 8928 C C . VAL G 52 ? 0.4002 0.5089 0.4639 -0.0986 -0.0535 0.0769 50 VAL G C 8929 O O . VAL G 52 ? 0.4035 0.5025 0.4720 -0.0971 -0.0663 0.0927 50 VAL G O 8930 C CB . VAL G 52 ? 0.3765 0.4864 0.4748 -0.0781 -0.0332 0.0236 50 VAL G CB 8931 C CG1 . VAL G 52 ? 0.3984 0.5335 0.4809 -0.0961 -0.0381 0.0165 50 VAL G CG1 8932 C CG2 . VAL G 52 ? 0.3574 0.4391 0.4852 -0.0585 -0.0337 0.0169 50 VAL G CG2 8933 N N . ASP G 53 ? 0.4218 0.5571 0.4601 -0.1202 -0.0511 0.0770 51 ASP G N 8934 C CA . ASP G 53 ? 0.4556 0.6107 0.4640 -0.1476 -0.0652 0.0972 51 ASP G CA 8935 C C . ASP G 53 ? 0.4643 0.5923 0.4724 -0.1487 -0.0863 0.1360 51 ASP G C 8936 O O . ASP G 53 ? 0.4444 0.5430 0.4733 -0.1291 -0.0862 0.1428 51 ASP G O 8937 C CB . ASP G 53 ? 0.4820 0.6830 0.4603 -0.1762 -0.0544 0.0829 51 ASP G CB 8938 C CG . ASP G 53 ? 0.4851 0.7187 0.4686 -0.1765 -0.0373 0.0387 51 ASP G CG 8939 O OD1 . ASP G 53 ? 0.4818 0.7062 0.4789 -0.1663 -0.0411 0.0278 51 ASP G OD1 8940 O OD2 . ASP G 53 ? 0.4984 0.7687 0.4763 -0.1873 -0.0208 0.0125 51 ASP G OD2 8941 N N . GLN G 54 ? 0.4961 0.6342 0.4829 -0.1722 -0.1068 0.1600 52 GLN G N 8942 C CA . GLN G 54 ? 0.5143 0.6259 0.5057 -0.1759 -0.1342 0.1980 52 GLN G CA 8943 C C . GLN G 54 ? 0.5197 0.6216 0.5040 -0.1829 -0.1340 0.2106 52 GLN G C 8944 O O . GLN G 54 ? 0.5096 0.5758 0.5200 -0.1641 -0.1436 0.2225 52 GLN G O 8945 C CB . GLN G 54 ? 0.5584 0.6874 0.5228 -0.2068 -0.1592 0.2231 52 GLN G CB 8946 C CG . GLN G 54 ? 0.5885 0.6846 0.5709 -0.2060 -0.1961 0.2622 52 GLN G CG 8947 C CD . GLN G 54 ? 0.5769 0.6499 0.6059 -0.1735 -0.2040 0.2571 52 GLN G CD 8948 O OE1 . GLN G 54 ? 0.5623 0.6509 0.5961 -0.1667 -0.1937 0.2377 52 GLN G OE1 8949 N NE2 . GLN G 54 ? 0.5827 0.6211 0.6490 -0.1542 -0.2227 0.2725 52 GLN G NE2 8950 N N . LYS G 55 ? 0.5376 0.6752 0.4882 -0.2112 -0.1225 0.2051 53 LYS G N 8951 C CA . LYS G 55 ? 0.5409 0.6774 0.4855 -0.2195 -0.1169 0.2110 53 LYS G CA 8952 C C . LYS G 55 ? 0.5191 0.6905 0.4619 -0.2165 -0.0839 0.1711 53 LYS G C 8953 O O . LYS G 55 ? 0.5404 0.7611 0.4555 -0.2442 -0.0721 0.1571 53 LYS G O 8954 C CB . LYS G 55 ? 0.5914 0.7408 0.5007 -0.2620 -0.1388 0.2479 53 LYS G CB 8955 C CG . LYS G 55 ? 0.6191 0.7317 0.5370 -0.2648 -0.1782 0.2880 53 LYS G CG 8956 C CD . LYS G 55 ? 0.6607 0.7511 0.5705 -0.2884 -0.2060 0.3286 53 LYS G CD 8957 C CE . LYS G 55 ? 0.6880 0.7322 0.6250 -0.2801 -0.2486 0.3628 53 LYS G CE 8958 N NZ . LYS G 55 ? 0.7387 0.7535 0.6731 -0.3043 -0.2839 0.4059 53 LYS G NZ 8959 N N . ASP G 56 ? 0.4801 0.6278 0.4551 -0.1831 -0.0706 0.1516 54 ASP G N 8960 C CA . ASP G 56 ? 0.4554 0.6269 0.4425 -0.1717 -0.0448 0.1120 54 ASP G CA 8961 C C . ASP G 56 ? 0.4429 0.6147 0.4394 -0.1680 -0.0345 0.1063 54 ASP G C 8962 O O . ASP G 56 ? 0.4386 0.5761 0.4431 -0.1597 -0.0452 0.1279 54 ASP G O 8963 C CB . ASP G 56 ? 0.4246 0.5706 0.4421 -0.1388 -0.0405 0.0942 54 ASP G CB 8964 C CG . ASP G 56 ? 0.4141 0.5869 0.4439 -0.1326 -0.0223 0.0536 54 ASP G CG 8965 O OD1 . ASP G 56 ? 0.4279 0.6393 0.4517 -0.1465 -0.0090 0.0325 54 ASP G OD1 8966 O OD2 . ASP G 56 ? 0.3966 0.5530 0.4462 -0.1142 -0.0224 0.0413 54 ASP G OD2 8967 N N . LYS G 57 ? 0.4392 0.6524 0.4384 -0.1739 -0.0145 0.0741 55 LYS G N 8968 C CA . LYS G 57 ? 0.4262 0.6454 0.4425 -0.1668 -0.0032 0.0612 55 LYS G CA 8969 C C . LYS G 57 ? 0.4040 0.6374 0.4527 -0.1445 0.0126 0.0184 55 LYS G C 8970 O O . LYS G 57 ? 0.4123 0.6795 0.4614 -0.1505 0.0212 -0.0092 55 LYS G O 8971 C CB . LYS G 57 ? 0.4536 0.7204 0.4454 -0.2034 0.0030 0.0652 55 LYS G CB 8972 C CG . LYS G 57 ? 0.4871 0.7368 0.4494 -0.2300 -0.0177 0.1117 55 LYS G CG 8973 C CD . LYS G 57 ? 0.5203 0.8157 0.4622 -0.2669 -0.0107 0.1168 55 LYS G CD 8974 C CE . LYS G 57 ? 0.5696 0.8557 0.4757 -0.3042 -0.0354 0.1655 55 LYS G CE 8975 N NZ . LYS G 57 ? 0.5738 0.7920 0.4957 -0.2876 -0.0601 0.1989 55 LYS G NZ 8976 N N . THR G 58 ? 0.3792 0.5853 0.4566 -0.1194 0.0133 0.0130 56 THR G N 8977 C CA . THR G 58 ? 0.3640 0.5794 0.4785 -0.0987 0.0224 -0.0239 56 THR G CA 8978 C C . THR G 58 ? 0.3540 0.5728 0.4896 -0.0915 0.0262 -0.0304 56 THR G C 8979 O O . THR G 58 ? 0.3537 0.5553 0.4761 -0.0972 0.0208 -0.0041 56 THR G O 8980 C CB . THR G 58 ? 0.3468 0.5176 0.4819 -0.0714 0.0134 -0.0239 56 THR G CB 8981 O OG1 . THR G 58 ? 0.3399 0.4660 0.4710 -0.0598 0.0034 0.0058 56 THR G OG1 8982 C CG2 . THR G 58 ? 0.3566 0.5283 0.4790 -0.0769 0.0100 -0.0243 56 THR G CG2 8983 N N . SER G 59 ? 0.3472 0.5877 0.5202 -0.0784 0.0332 -0.0670 57 SER G N 8984 C CA . SER G 59 ? 0.3371 0.5806 0.5391 -0.0677 0.0339 -0.0762 57 SER G CA 8985 C C . SER G 59 ? 0.3283 0.5553 0.5782 -0.0392 0.0269 -0.1021 57 SER G C 8986 O O . SER G 59 ? 0.3333 0.5637 0.5996 -0.0319 0.0262 -0.1245 57 SER G O 8987 C CB . SER G 59 ? 0.3484 0.6565 0.5521 -0.0906 0.0494 -0.0967 57 SER G CB 8988 O OG . SER G 59 ? 0.3569 0.7168 0.5787 -0.0953 0.0622 -0.1397 57 SER G OG 8989 N N . ASN G 60 ? 0.3193 0.5259 0.5918 -0.0248 0.0186 -0.0969 58 ASN G N 8990 C CA . ASN G 60 ? 0.3158 0.5044 0.6365 -0.0002 0.0059 -0.1157 58 ASN G CA 8991 C C . ASN G 60 ? 0.3113 0.5044 0.6547 0.0053 0.0013 -0.1156 58 ASN G C 8992 O O . ASN G 60 ? 0.3077 0.4635 0.6346 0.0087 -0.0086 -0.0856 58 ASN G O 8993 C CB . ASN G 60 ? 0.3125 0.4427 0.6246 0.0128 -0.0102 -0.0906 58 ASN G CB 8994 C CG . ASN G 60 ? 0.3172 0.4205 0.6748 0.0339 -0.0299 -0.0995 58 ASN G CG 8995 O OD1 . ASN G 60 ? 0.3193 0.4466 0.7258 0.0436 -0.0333 -0.1328 58 ASN G OD1 8996 N ND2 . ASN G 60 ? 0.3108 0.3661 0.6547 0.0395 -0.0446 -0.0696 58 ASN G ND2 8997 N N . GLY G 61 ? 0.3146 0.5583 0.6973 0.0051 0.0092 -0.1521 59 GLY G N 8998 C CA . GLY G 61 ? 0.3119 0.5691 0.7218 0.0089 0.0053 -0.1559 59 GLY G CA 8999 C C . GLY G 61 ? 0.3115 0.5709 0.6770 -0.0123 0.0129 -0.1250 59 GLY G C 9000 O O . GLY G 61 ? 0.3204 0.6176 0.6580 -0.0370 0.0295 -0.1250 59 GLY G O 9001 N N . ARG G 62 ? 0.3062 0.5241 0.6643 -0.0048 -0.0014 -0.0979 60 ARG G N 9002 C CA . ARG G 62 ? 0.3073 0.5197 0.6297 -0.0224 0.0013 -0.0703 60 ARG G CA 9003 C C . ARG G 62 ? 0.3082 0.4796 0.5799 -0.0296 -0.0003 -0.0370 60 ARG G C 9004 O O . ARG G 62 ? 0.3128 0.4744 0.5558 -0.0443 -0.0006 -0.0142 60 ARG G O 9005 C CB . ARG G 62 ? 0.3049 0.4974 0.6457 -0.0120 -0.0135 -0.0622 60 ARG G CB 9006 C CG . ARG G 62 ? 0.3090 0.5511 0.6995 -0.0112 -0.0112 -0.0916 60 ARG G CG 9007 C CD . ARG G 62 ? 0.3165 0.5335 0.7375 0.0064 -0.0332 -0.0876 60 ARG G CD 9008 N NE . ARG G 62 ? 0.3283 0.4924 0.7074 0.0052 -0.0448 -0.0516 60 ARG G NE 9009 C CZ . ARG G 62 ? 0.3344 0.4511 0.7029 0.0186 -0.0608 -0.0352 60 ARG G CZ 9010 N NH1 . ARG G 62 ? 0.3401 0.4474 0.7374 0.0343 -0.0710 -0.0466 60 ARG G NH1 9011 N NH2 . ARG G 62 ? 0.3389 0.4193 0.6690 0.0144 -0.0673 -0.0085 60 ARG G NH2 9012 N N . TYR G 63 ? 0.3048 0.4528 0.5708 -0.0190 -0.0033 -0.0359 62 TYR G N 9013 C CA . TYR G 63 ? 0.3071 0.4232 0.5338 -0.0239 -0.0048 -0.0097 62 TYR G CA 9014 C C . TYR G 63 ? 0.3138 0.4584 0.5213 -0.0415 0.0063 -0.0135 62 TYR G C 9015 O O . TYR G 63 ? 0.3147 0.4877 0.5390 -0.0404 0.0132 -0.0392 62 TYR G O 9016 C CB . TYR G 63 ? 0.3028 0.3792 0.5324 -0.0056 -0.0152 -0.0031 62 TYR G CB 9017 C CG . TYR G 63 ? 0.3063 0.3557 0.5503 0.0081 -0.0290 0.0029 62 TYR G CG 9018 C CD1 . TYR G 63 ? 0.3082 0.3456 0.5812 0.0224 -0.0408 -0.0065 62 TYR G CD1 9019 C CD2 . TYR G 63 ? 0.3154 0.3496 0.5437 0.0050 -0.0333 0.0192 62 TYR G CD2 9020 C CE1 . TYR G 63 ? 0.3185 0.3312 0.6010 0.0307 -0.0574 0.0038 62 TYR G CE1 9021 C CE2 . TYR G 63 ? 0.3237 0.3366 0.5601 0.0141 -0.0469 0.0254 62 TYR G CE2 9022 C CZ . TYR G 63 ? 0.3307 0.3335 0.5921 0.0258 -0.0594 0.0197 62 TYR G CZ 9023 O OH . TYR G 63 ? 0.3417 0.3237 0.6074 0.0307 -0.0767 0.0305 62 TYR G OH 9024 N N . SER G 64 ? 0.3209 0.4575 0.4947 -0.0585 0.0055 0.0115 63 SER G N 9025 C CA . SER G 64 ? 0.3333 0.4888 0.4825 -0.0773 0.0103 0.0166 63 SER G CA 9026 C C . SER G 64 ? 0.3376 0.4508 0.4627 -0.0765 -0.0014 0.0473 63 SER G C 9027 O O . SER G 64 ? 0.3388 0.4203 0.4615 -0.0709 -0.0104 0.0643 63 SER G O 9028 C CB . SER G 64 ? 0.3509 0.5540 0.4869 -0.1080 0.0189 0.0157 63 SER G CB 9029 O OG . SER G 64 ? 0.3609 0.5451 0.4830 -0.1198 0.0101 0.0427 63 SER G OG 9030 N N . ALA G 65 ? 0.3416 0.4565 0.4528 -0.0814 -0.0022 0.0511 64 ALA G N 9031 C CA . ALA G 65 ? 0.3435 0.4227 0.4407 -0.0781 -0.0147 0.0762 64 ALA G CA 9032 C C . ALA G 65 ? 0.3649 0.4599 0.4382 -0.1007 -0.0195 0.0901 64 ALA G C 9033 O O . ALA G 65 ? 0.3750 0.5103 0.4395 -0.1170 -0.0103 0.0758 64 ALA G O 9034 C CB . ALA G 65 ? 0.3254 0.3788 0.4366 -0.0540 -0.0160 0.0701 64 ALA G CB 9035 N N . THR G 66 ? 0.3741 0.4391 0.4392 -0.1022 -0.0356 0.1166 65 THR G N 9036 C CA . THR G 66 ? 0.3979 0.4699 0.4427 -0.1225 -0.0473 0.1358 65 THR G CA 9037 C C . THR G 66 ? 0.3926 0.4323 0.4486 -0.1044 -0.0597 0.1456 65 THR G C 9038 O O . THR G 66 ? 0.3775 0.3877 0.4530 -0.0816 -0.0617 0.1439 65 THR G O 9039 C CB . THR G 66 ? 0.4303 0.4998 0.4582 -0.1495 -0.0627 0.1645 65 THR G CB 9040 O OG1 . THR G 66 ? 0.4252 0.4526 0.4706 -0.1342 -0.0749 0.1759 65 THR G OG1 9041 C CG2 . THR G 66 ? 0.4391 0.5535 0.4530 -0.1749 -0.0488 0.1553 65 THR G CG2 9042 N N . LEU G 67 ? 0.4068 0.4573 0.4509 -0.1159 -0.0674 0.1539 66 LEU G N 9043 C CA . LEU G 67 ? 0.4065 0.4321 0.4646 -0.1020 -0.0819 0.1649 66 LEU G CA 9044 C C . LEU G 67 ? 0.4423 0.4699 0.4849 -0.1251 -0.1050 0.1927 66 LEU G C 9045 O O . LEU G 67 ? 0.4619 0.5216 0.4777 -0.1504 -0.1035 0.1945 66 LEU G O 9046 C CB . LEU G 67 ? 0.3842 0.4174 0.4526 -0.0863 -0.0699 0.1440 66 LEU G CB 9047 C CG . LEU G 67 ? 0.3808 0.3998 0.4649 -0.0750 -0.0820 0.1519 66 LEU G CG 9048 C CD1 . LEU G 67 ? 0.3710 0.3606 0.4819 -0.0535 -0.0887 0.1564 66 LEU G CD1 9049 C CD2 . LEU G 67 ? 0.3567 0.3881 0.4466 -0.0671 -0.0702 0.1324 66 LEU G CD2 9050 N N . ASP G 68 ? 0.4556 0.4500 0.5173 -0.1171 -0.1281 0.2130 67 ASP G N 9051 C CA . ASP G 68 ? 0.4919 0.4798 0.5490 -0.1345 -0.1576 0.2424 67 ASP G CA 9052 C C . ASP G 68 ? 0.4803 0.4502 0.5724 -0.1088 -0.1683 0.2391 67 ASP G C 9053 O O . ASP G 68 ? 0.4745 0.4165 0.6012 -0.0859 -0.1762 0.2363 67 ASP G O 9054 C CB . ASP G 68 ? 0.5275 0.4901 0.5853 -0.1498 -0.1831 0.2713 67 ASP G CB 9055 C CG . ASP G 68 ? 0.5762 0.5293 0.6283 -0.1730 -0.2205 0.3081 67 ASP G CG 9056 O OD1 . ASP G 68 ? 0.5797 0.5344 0.6433 -0.1655 -0.2310 0.3099 67 ASP G OD1 9057 O OD2 . ASP G 68 ? 0.6211 0.5646 0.6579 -0.2008 -0.2419 0.3377 67 ASP G OD2 9058 N N . LYS G 69 ? 0.4785 0.4688 0.5635 -0.1135 -0.1677 0.2363 68 LYS G N 9059 C CA . LYS G 69 ? 0.4659 0.4476 0.5852 -0.0919 -0.1763 0.2319 68 LYS G CA 9060 C C . LYS G 69 ? 0.4960 0.4552 0.6410 -0.0930 -0.2147 0.2590 68 LYS G C 9061 O O . LYS G 69 ? 0.4848 0.4323 0.6734 -0.0686 -0.2232 0.2517 68 LYS G O 9062 C CB . LYS G 69 ? 0.4566 0.4666 0.5625 -0.0974 -0.1651 0.2196 68 LYS G CB 9063 C CG . LYS G 69 ? 0.4171 0.4402 0.5189 -0.0859 -0.1325 0.1889 68 LYS G CG 9064 C CD . LYS G 69 ? 0.4046 0.4482 0.5037 -0.0887 -0.1271 0.1768 68 LYS G CD 9065 C CE . LYS G 69 ? 0.3740 0.4255 0.4723 -0.0793 -0.1008 0.1486 68 LYS G CE 9066 N NZ . LYS G 69 ? 0.3681 0.4341 0.4699 -0.0813 -0.0989 0.1369 68 LYS G NZ 9067 N N . ASP G 70 ? 0.5384 0.4936 0.6590 -0.1226 -0.2392 0.2899 69 ASP G N 9068 C CA . ASP G 70 ? 0.5805 0.5066 0.7287 -0.1257 -0.2831 0.3207 69 ASP G CA 9069 C C . ASP G 70 ? 0.5769 0.4658 0.7718 -0.0991 -0.2925 0.3140 69 ASP G C 9070 O O . ASP G 70 ? 0.5835 0.4527 0.8306 -0.0771 -0.3158 0.3131 69 ASP G O 9071 C CB . ASP G 70 ? 0.6324 0.5614 0.7383 -0.1697 -0.3089 0.3599 69 ASP G CB 9072 C CG . ASP G 70 ? 0.6618 0.6180 0.7406 -0.1945 -0.3225 0.3759 69 ASP G CG 9073 O OD1 . ASP G 70 ? 0.6280 0.6110 0.7034 -0.1839 -0.2989 0.3500 69 ASP G OD1 9074 O OD2 . ASP G 70 ? 0.7280 0.6781 0.7880 -0.2271 -0.3595 0.4161 69 ASP G OD2 9075 N N . ALA G 71 ? 0.5689 0.4516 0.7483 -0.1007 -0.2743 0.3057 70 ALA G N 9076 C CA . ALA G 71 ? 0.5669 0.4172 0.7858 -0.0771 -0.2799 0.2944 70 ALA G CA 9077 C C . ALA G 71 ? 0.5200 0.3810 0.7615 -0.0434 -0.2465 0.2533 70 ALA G C 9078 O O . ALA G 71 ? 0.5161 0.3574 0.7933 -0.0210 -0.2479 0.2363 70 ALA G O 9079 C CB . ALA G 71 ? 0.5846 0.4232 0.7764 -0.0981 -0.2799 0.3076 70 ALA G CB 9080 N N . LYS G 72 ? 0.4901 0.3830 0.7104 -0.0424 -0.2182 0.2377 71 LYS G N 9081 C CA . LYS G 72 ? 0.4506 0.3573 0.6828 -0.0185 -0.1866 0.2044 71 LYS G CA 9082 C C . LYS G 72 ? 0.4394 0.3358 0.6650 -0.0119 -0.1698 0.1904 71 LYS G C 9083 O O . LYS G 72 ? 0.4269 0.3181 0.6794 0.0098 -0.1614 0.1688 71 LYS G O 9084 C CB . LYS G 72 ? 0.4446 0.3523 0.7276 0.0064 -0.1940 0.1896 71 LYS G CB 9085 C CG . LYS G 72 ? 0.4530 0.3783 0.7424 0.0012 -0.2051 0.1989 71 LYS G CG 9086 C CD . LYS G 72 ? 0.4440 0.3810 0.7862 0.0260 -0.2060 0.1785 71 LYS G CD 9087 C CE . LYS G 72 ? 0.4442 0.4064 0.7857 0.0198 -0.2067 0.1824 71 LYS G CE 9088 N NZ . LYS G 72 ? 0.4391 0.4219 0.8329 0.0420 -0.2026 0.1595 71 LYS G NZ 9089 N N . HIS G 73 ? 0.4468 0.3458 0.6358 -0.0330 -0.1644 0.2015 72 HIS G N 9090 C CA . HIS G 73 ? 0.4434 0.3318 0.6253 -0.0323 -0.1549 0.1944 72 HIS G CA 9091 C C . HIS G 73 ? 0.4256 0.3389 0.5710 -0.0460 -0.1302 0.1879 72 HIS G C 9092 O O . HIS G 73 ? 0.4331 0.3677 0.5535 -0.0665 -0.1290 0.1974 72 HIS G O 9093 C CB . HIS G 73 ? 0.4831 0.3441 0.6702 -0.0467 -0.1844 0.2186 72 HIS G CB 9094 C CG . HIS G 73 ? 0.4954 0.3485 0.6698 -0.0538 -0.1772 0.2165 72 HIS G CG 9095 N ND1 . HIS G 73 ? 0.4958 0.3338 0.6911 -0.0330 -0.1700 0.1951 72 HIS G ND1 9096 C CD2 . HIS G 73 ? 0.5163 0.3787 0.6600 -0.0814 -0.1763 0.2322 72 HIS G CD2 9097 C CE1 . HIS G 73 ? 0.5049 0.3394 0.6836 -0.0463 -0.1665 0.1990 72 HIS G CE1 9098 N NE2 . HIS G 73 ? 0.5202 0.3704 0.6693 -0.0755 -0.1696 0.2212 72 HIS G NE2 9099 N N . SER G 74 ? 0.4047 0.3180 0.5501 -0.0347 -0.1117 0.1695 73 SER G N 9100 C CA . SER G 74 ? 0.3892 0.3245 0.5117 -0.0434 -0.0912 0.1597 73 SER G CA 9101 C C . SER G 74 ? 0.3867 0.3130 0.5091 -0.0417 -0.0863 0.1538 73 SER G C 9102 O O . SER G 74 ? 0.3836 0.2899 0.5230 -0.0260 -0.0893 0.1465 73 SER G O 9103 C CB . SER G 74 ? 0.3642 0.3138 0.4889 -0.0301 -0.0731 0.1409 73 SER G CB 9104 O OG . SER G 74 ? 0.3509 0.3203 0.4621 -0.0367 -0.0580 0.1294 73 SER G OG 9105 N N . THR G 75 ? 0.3890 0.3348 0.4939 -0.0587 -0.0784 0.1541 74 THR G N 9106 C CA . THR G 75 ? 0.3871 0.3299 0.4930 -0.0593 -0.0737 0.1483 74 THR G CA 9107 C C . THR G 75 ? 0.3640 0.3322 0.4674 -0.0557 -0.0541 0.1285 74 THR G C 9108 O O . THR G 75 ? 0.3619 0.3587 0.4570 -0.0660 -0.0455 0.1226 74 THR G O 9109 C CB . THR G 75 ? 0.4152 0.3609 0.5095 -0.0860 -0.0853 0.1675 74 THR G CB 9110 O OG1 . THR G 75 ? 0.4272 0.4134 0.5026 -0.1077 -0.0738 0.1658 74 THR G OG1 9111 C CG2 . THR G 75 ? 0.4438 0.3639 0.5418 -0.0949 -0.1115 0.1924 74 THR G CG2 9112 N N . LEU G 76 ? 0.3523 0.3106 0.4651 -0.0414 -0.0491 0.1169 75 LEU G N 9113 C CA . LEU G 76 ? 0.3380 0.3160 0.4557 -0.0380 -0.0370 0.1003 75 LEU G CA 9114 C C . LEU G 76 ? 0.3463 0.3314 0.4658 -0.0479 -0.0379 0.1002 75 LEU G C 9115 O O . LEU G 76 ? 0.3495 0.3128 0.4719 -0.0430 -0.0450 0.1036 75 LEU G O 9116 C CB . LEU G 76 ? 0.3234 0.2877 0.4496 -0.0182 -0.0340 0.0905 75 LEU G CB 9117 C CG . LEU G 76 ? 0.3061 0.2825 0.4438 -0.0123 -0.0289 0.0763 75 LEU G CG 9118 C CD1 . LEU G 76 ? 0.2998 0.2979 0.4453 -0.0138 -0.0228 0.0647 75 LEU G CD1 9119 C CD2 . LEU G 76 ? 0.2935 0.2511 0.4331 0.0007 -0.0319 0.0756 75 LEU G CD2 9120 N N . HIS G 77 ? 0.3522 0.3722 0.4716 -0.0630 -0.0301 0.0934 76 HIS G N 9121 C CA . HIS G 77 ? 0.3621 0.3989 0.4866 -0.0753 -0.0290 0.0913 76 HIS G CA 9122 C C . HIS G 77 ? 0.3430 0.3955 0.4900 -0.0612 -0.0217 0.0688 76 HIS G C 9123 O O . HIS G 77 ? 0.3338 0.4054 0.4926 -0.0539 -0.0141 0.0517 76 HIS G O 9124 C CB . HIS G 77 ? 0.3825 0.4578 0.4951 -0.1050 -0.0243 0.0962 76 HIS G CB 9125 C CG . HIS G 77 ? 0.4237 0.4831 0.5144 -0.1232 -0.0372 0.1234 76 HIS G CG 9126 N ND1 . HIS G 77 ? 0.4605 0.5116 0.5420 -0.1460 -0.0502 0.1459 76 HIS G ND1 9127 C CD2 . HIS G 77 ? 0.4443 0.4936 0.5236 -0.1230 -0.0428 0.1333 76 HIS G CD2 9128 C CE1 . HIS G 77 ? 0.4893 0.5230 0.5560 -0.1587 -0.0655 0.1698 76 HIS G CE1 9129 N NE2 . HIS G 77 ? 0.4792 0.5130 0.5444 -0.1443 -0.0609 0.1621 76 HIS G NE2 9130 N N . ILE G 78 ? 0.3419 0.3841 0.4977 -0.0573 -0.0271 0.0687 77 ILE G N 9131 C CA . ILE G 78 ? 0.3301 0.3872 0.5111 -0.0462 -0.0255 0.0506 77 ILE G CA 9132 C C . ILE G 78 ? 0.3357 0.4230 0.5277 -0.0625 -0.0234 0.0465 77 ILE G C 9133 O O . ILE G 78 ? 0.3482 0.4186 0.5314 -0.0708 -0.0313 0.0598 77 ILE G O 9134 C CB . ILE G 78 ? 0.3260 0.3482 0.5080 -0.0284 -0.0359 0.0541 77 ILE G CB 9135 C CG1 . ILE G 78 ? 0.3260 0.3239 0.4962 -0.0163 -0.0366 0.0591 77 ILE G CG1 9136 C CG2 . ILE G 78 ? 0.3191 0.3547 0.5293 -0.0189 -0.0402 0.0396 77 ILE G CG2 9137 C CD1 . ILE G 78 ? 0.3382 0.3082 0.5013 -0.0052 -0.0449 0.0641 77 ILE G CD1 9138 N N . THR G 79 ? 0.3307 0.4653 0.5447 -0.0679 -0.0128 0.0255 78 THR G N 9139 C CA . THR G 79 ? 0.3362 0.5125 0.5652 -0.0861 -0.0077 0.0176 78 THR G CA 9140 C C . THR G 79 ? 0.3258 0.5061 0.5906 -0.0698 -0.0148 0.0024 78 THR G C 9141 O O . THR G 79 ? 0.3155 0.4900 0.6047 -0.0476 -0.0191 -0.0125 78 THR G O 9142 C CB . THR G 79 ? 0.3396 0.5784 0.5773 -0.1035 0.0097 -0.0030 78 THR G CB 9143 O OG1 . THR G 79 ? 0.3525 0.5856 0.5593 -0.1131 0.0137 0.0078 78 THR G OG1 9144 C CG2 . THR G 79 ? 0.3550 0.6383 0.5926 -0.1342 0.0163 -0.0010 78 THR G CG2 9145 N N . ALA G 80 ? 0.3318 0.5203 0.6009 -0.0825 -0.0191 0.0084 79 ALA G N 9146 C CA . ALA G 80 ? 0.3254 0.5243 0.6303 -0.0714 -0.0276 -0.0048 79 ALA G CA 9147 C C . ALA G 80 ? 0.3193 0.4736 0.6283 -0.0447 -0.0435 -0.0017 79 ALA G C 9148 O O . ALA G 80 ? 0.3126 0.4757 0.6546 -0.0270 -0.0482 -0.0188 79 ALA G O 9149 C CB . ALA G 80 ? 0.3185 0.5825 0.6693 -0.0725 -0.0162 -0.0375 79 ALA G CB 9150 N N . THR G 81 ? 0.3270 0.4348 0.6035 -0.0439 -0.0532 0.0197 80 THR G N 9151 C CA . THR G 81 ? 0.3276 0.3962 0.5961 -0.0256 -0.0666 0.0263 80 THR G CA 9152 C C . THR G 81 ? 0.3302 0.4041 0.6296 -0.0155 -0.0825 0.0189 80 THR G C 9153 O O . THR G 81 ? 0.3356 0.4272 0.6506 -0.0234 -0.0873 0.0154 80 THR G O 9154 C CB . THR G 81 ? 0.3394 0.3680 0.5699 -0.0294 -0.0717 0.0440 80 THR G CB 9155 O OG1 . THR G 81 ? 0.3546 0.3876 0.5831 -0.0450 -0.0746 0.0479 80 THR G OG1 9156 C CG2 . THR G 81 ? 0.3355 0.3484 0.5409 -0.0311 -0.0624 0.0524 80 THR G CG2 9157 N N . LEU G 82 ? 0.3310 0.3891 0.6409 0.0002 -0.0934 0.0183 81 LEU G N 9158 C CA . LEU G 82 ? 0.3390 0.3926 0.6758 0.0096 -0.1158 0.0177 81 LEU G CA 9159 C C . LEU G 82 ? 0.3557 0.3683 0.6543 0.0100 -0.1294 0.0389 81 LEU G C 9160 O O . LEU G 82 ? 0.3561 0.3483 0.6173 0.0072 -0.1195 0.0483 81 LEU G O 9161 C CB . LEU G 82 ? 0.3348 0.4020 0.7195 0.0251 -0.1236 0.0014 81 LEU G CB 9162 C CG . LEU G 82 ? 0.3186 0.4363 0.7509 0.0270 -0.1102 -0.0289 81 LEU G CG 9163 C CD1 . LEU G 82 ? 0.3164 0.4352 0.7934 0.0454 -0.1208 -0.0462 81 LEU G CD1 9164 C CD2 . LEU G 82 ? 0.3224 0.4769 0.7909 0.0225 -0.1143 -0.0418 81 LEU G CD2 9165 N N . LEU G 83 ? 0.3735 0.3786 0.6825 0.0118 -0.1526 0.0454 82 LEU G N 9166 C CA . LEU G 83 ? 0.3972 0.3717 0.6674 0.0071 -0.1670 0.0652 82 LEU G CA 9167 C C . LEU G 83 ? 0.4026 0.3559 0.6536 0.0103 -0.1667 0.0762 82 LEU G C 9168 O O . LEU G 83 ? 0.4128 0.3501 0.6194 0.0024 -0.1615 0.0872 82 LEU G O 9169 C CB . LEU G 83 ? 0.4179 0.3914 0.7077 0.0068 -0.1969 0.0722 82 LEU G CB 9170 C CG . LEU G 83 ? 0.4510 0.4006 0.6993 -0.0037 -0.2160 0.0940 82 LEU G CG 9171 C CD1 . LEU G 83 ? 0.4592 0.4046 0.6576 -0.0166 -0.2023 0.0934 82 LEU G CD1 9172 C CD2 . LEU G 83 ? 0.4739 0.4245 0.7511 -0.0039 -0.2508 0.1028 82 LEU G CD2 9173 N N . ASP G 84 ? 0.3978 0.3543 0.6857 0.0213 -0.1719 0.0703 83 ASP G N 9174 C CA . ASP G 84 ? 0.4065 0.3427 0.6832 0.0232 -0.1747 0.0810 83 ASP G CA 9175 C C . ASP G 84 ? 0.3889 0.3246 0.6346 0.0207 -0.1472 0.0783 83 ASP G C 9176 O O . ASP G 84 ? 0.3940 0.3154 0.6265 0.0201 -0.1467 0.0872 83 ASP G O 9177 C CB . ASP G 84 ? 0.4098 0.3483 0.7427 0.0370 -0.1900 0.0706 83 ASP G CB 9178 C CG . ASP G 84 ? 0.4433 0.3832 0.8197 0.0425 -0.2213 0.0711 83 ASP G CG 9179 O OD1 . ASP G 84 ? 0.4517 0.4150 0.8444 0.0427 -0.2190 0.0593 83 ASP G OD1 9180 O OD2 . ASP G 84 ? 0.4813 0.3983 0.8786 0.0457 -0.2510 0.0845 83 ASP G OD2 9181 N N . ASP G 85 ? 0.3711 0.3217 0.6071 0.0176 -0.1273 0.0679 84 ASP G N 9182 C CA . ASP G 85 ? 0.3590 0.3068 0.5673 0.0144 -0.1063 0.0679 84 ASP G CA 9183 C C . ASP G 85 ? 0.3697 0.3007 0.5359 0.0072 -0.1045 0.0791 84 ASP G C 9184 O O . ASP G 85 ? 0.3652 0.2917 0.5122 0.0064 -0.0911 0.0797 84 ASP G O 9185 C CB . ASP G 85 ? 0.3467 0.3144 0.5614 0.0104 -0.0907 0.0565 84 ASP G CB 9186 C CG . ASP G 85 ? 0.3397 0.3353 0.5925 0.0146 -0.0860 0.0399 84 ASP G CG 9187 O OD1 . ASP G 85 ? 0.3412 0.3361 0.6106 0.0228 -0.0881 0.0345 84 ASP G OD1 9188 O OD2 . ASP G 85 ? 0.3379 0.3592 0.6050 0.0080 -0.0799 0.0302 84 ASP G OD2 9189 N N . THR G 86 ? 0.3852 0.3111 0.5398 0.0016 -0.1184 0.0853 85 THR G N 9190 C CA . THR G 86 ? 0.4029 0.3207 0.5182 -0.0072 -0.1172 0.0909 85 THR G CA 9191 C C . THR G 86 ? 0.4105 0.3226 0.5093 -0.0098 -0.1154 0.1013 85 THR G C 9192 O O . THR G 86 ? 0.4266 0.3327 0.5287 -0.0138 -0.1324 0.1154 85 THR G O 9193 C CB . THR G 86 ? 0.4277 0.3450 0.5319 -0.0159 -0.1357 0.0965 85 THR G CB 9194 O OG1 . THR G 86 ? 0.4265 0.3509 0.5508 -0.0143 -0.1383 0.0870 85 THR G OG1 9195 C CG2 . THR G 86 ? 0.4481 0.3654 0.5096 -0.0273 -0.1307 0.0953 85 THR G CG2 9196 N N . ALA G 87 ? 0.4017 0.3156 0.4867 -0.0086 -0.0971 0.0951 86 ALA G N 9197 C CA . ALA G 87 ? 0.4042 0.3180 0.4775 -0.0115 -0.0915 0.1024 86 ALA G CA 9198 C C . ALA G 87 ? 0.3970 0.3170 0.4595 -0.0089 -0.0722 0.0905 86 ALA G C 9199 O O . ALA G 87 ? 0.3923 0.3113 0.4593 -0.0043 -0.0665 0.0786 86 ALA G O 9200 C CB . ALA G 87 ? 0.3897 0.2986 0.4911 -0.0040 -0.0952 0.1065 86 ALA G CB 9201 N N . THR G 88 ? 0.4002 0.3263 0.4522 -0.0127 -0.0649 0.0943 87 THR G N 9202 C CA . THR G 88 ? 0.3899 0.3233 0.4433 -0.0073 -0.0489 0.0825 87 THR G CA 9203 C C . THR G 88 ? 0.3701 0.2982 0.4442 0.0001 -0.0464 0.0868 87 THR G C 9204 O O . THR G 88 ? 0.3714 0.2956 0.4515 -0.0022 -0.0535 0.0977 87 THR G O 9205 C CB . THR G 88 ? 0.4076 0.3600 0.4398 -0.0177 -0.0405 0.0804 87 THR G CB 9206 O OG1 . THR G 88 ? 0.4277 0.3909 0.4381 -0.0265 -0.0410 0.0712 87 THR G OG1 9207 C CG2 . THR G 88 ? 0.3945 0.3572 0.4389 -0.0095 -0.0259 0.0666 87 THR G CG2 9208 N N . TYR G 89 ? 0.3576 0.2847 0.4436 0.0080 -0.0391 0.0784 88 TYR G N 9209 C CA . TYR G 89 ? 0.3425 0.2688 0.4436 0.0122 -0.0366 0.0815 88 TYR G CA 9210 C C . TYR G 89 ? 0.3432 0.2764 0.4459 0.0146 -0.0284 0.0783 88 TYR G C 9211 O O . TYR G 89 ? 0.3490 0.2830 0.4550 0.0188 -0.0256 0.0693 88 TYR G O 9212 C CB . TYR G 89 ? 0.3307 0.2538 0.4435 0.0142 -0.0385 0.0790 88 TYR G CB 9213 C CG . TYR G 89 ? 0.3316 0.2553 0.4512 0.0125 -0.0457 0.0792 88 TYR G CG 9214 C CD1 . TYR G 89 ? 0.3365 0.2567 0.4504 0.0102 -0.0514 0.0774 88 TYR G CD1 9215 C CD2 . TYR G 89 ? 0.3227 0.2531 0.4589 0.0137 -0.0478 0.0780 88 TYR G CD2 9216 C CE1 . TYR G 89 ? 0.3399 0.2634 0.4652 0.0092 -0.0599 0.0771 88 TYR G CE1 9217 C CE2 . TYR G 89 ? 0.3188 0.2540 0.4708 0.0144 -0.0556 0.0740 88 TYR G CE2 9218 C CZ . TYR G 89 ? 0.3323 0.2642 0.4792 0.0121 -0.0620 0.0750 88 TYR G CZ 9219 O OH . TYR G 89 ? 0.3422 0.2813 0.5097 0.0132 -0.0715 0.0707 88 TYR G OH 9220 N N . ILE G 90 ? 0.3424 0.2804 0.4475 0.0124 -0.0267 0.0844 89 ILE G N 9221 C CA . ILE G 90 ? 0.3429 0.2923 0.4521 0.0133 -0.0194 0.0817 89 ILE G CA 9222 C C . ILE G 90 ? 0.3327 0.2808 0.4551 0.0164 -0.0201 0.0845 89 ILE G C 9223 O O . ILE G 90 ? 0.3264 0.2706 0.4519 0.0141 -0.0237 0.0889 89 ILE G O 9224 C CB . ILE G 90 ? 0.3541 0.3158 0.4524 0.0030 -0.0166 0.0875 89 ILE G CB 9225 C CG1 . ILE G 90 ? 0.3666 0.3352 0.4451 -0.0050 -0.0164 0.0857 89 ILE G CG1 9226 C CG2 . ILE G 90 ? 0.3536 0.3344 0.4608 0.0033 -0.0075 0.0820 89 ILE G CG2 9227 C CD1 . ILE G 90 ? 0.3819 0.3559 0.4433 -0.0219 -0.0214 0.1011 89 ILE G CD1 9228 N N . CYS G 91 ? 0.3338 0.2864 0.4666 0.0214 -0.0184 0.0799 90 CYS G N 9229 C CA . CYS G 91 ? 0.3318 0.2856 0.4748 0.0221 -0.0214 0.0842 90 CYS G CA 9230 C C . CYS G 91 ? 0.3298 0.2981 0.4803 0.0210 -0.0171 0.0839 90 CYS G C 9231 O O . CYS G 91 ? 0.3354 0.3171 0.4926 0.0236 -0.0118 0.0761 90 CYS G O 9232 C CB . CYS G 91 ? 0.3401 0.2868 0.4937 0.0267 -0.0285 0.0833 90 CYS G CB 9233 S SG . CYS G 91 ? 0.3572 0.3059 0.5205 0.0237 -0.0375 0.0930 90 CYS G SG 9234 N N . VAL G 92 ? 0.3236 0.2934 0.4751 0.0163 -0.0189 0.0895 91 VAL G N 9235 C CA . VAL G 92 ? 0.3217 0.3055 0.4818 0.0132 -0.0163 0.0906 91 VAL G CA 9236 C C . VAL G 92 ? 0.3163 0.3029 0.4853 0.0124 -0.0222 0.0935 91 VAL G C 9237 O O . VAL G 92 ? 0.3138 0.2940 0.4761 0.0086 -0.0262 0.0950 91 VAL G O 9238 C CB . VAL G 92 ? 0.3277 0.3123 0.4799 0.0035 -0.0145 0.0959 91 VAL G CB 9239 C CG1 . VAL G 92 ? 0.3345 0.3025 0.4842 0.0014 -0.0218 0.0984 91 VAL G CG1 9240 C CG2 . VAL G 92 ? 0.3300 0.3317 0.4914 -0.0032 -0.0118 0.0983 91 VAL G CG2 9241 N N . VAL G 93 ? 0.3156 0.3161 0.5012 0.0152 -0.0230 0.0921 92 VAL G N 9242 C CA . VAL G 93 ? 0.3137 0.3190 0.5085 0.0132 -0.0317 0.0966 92 VAL G CA 9243 C C . VAL G 93 ? 0.3116 0.3325 0.5150 0.0070 -0.0287 0.0967 92 VAL G C 9244 O O . VAL G 93 ? 0.3127 0.3514 0.5300 0.0082 -0.0224 0.0923 92 VAL G O 9245 C CB . VAL G 93 ? 0.3194 0.3268 0.5349 0.0217 -0.0415 0.0967 92 VAL G CB 9246 C CG1 . VAL G 93 ? 0.3254 0.3375 0.5483 0.0168 -0.0548 0.1055 92 VAL G CG1 9247 C CG2 . VAL G 93 ? 0.3234 0.3122 0.5321 0.0252 -0.0472 0.0987 92 VAL G CG2 9248 N N . GLY G 94 ? 0.3122 0.3295 0.5083 -0.0010 -0.0328 0.0994 93 GLY G N 9249 C CA . GLY G 94 ? 0.3118 0.3404 0.5172 -0.0090 -0.0334 0.1003 93 GLY G CA 9250 C C . GLY G 94 ? 0.3117 0.3526 0.5295 -0.0099 -0.0429 0.1025 93 GLY G C 9251 O O . GLY G 94 ? 0.3147 0.3504 0.5224 -0.0123 -0.0513 0.1046 93 GLY G O 9252 N N . ASP G 95 ? 0.3085 0.3698 0.5481 -0.0103 -0.0424 0.1022 94 ASP G N 9253 C CA . ASP G 95 ? 0.3113 0.3863 0.5697 -0.0094 -0.0547 0.1050 94 ASP G CA 9254 C C . ASP G 95 ? 0.3153 0.3949 0.5704 -0.0220 -0.0623 0.1073 94 ASP G C 9255 O O . ASP G 95 ? 0.3218 0.4139 0.5909 -0.0235 -0.0749 0.1111 94 ASP G O 9256 C CB . ASP G 95 ? 0.3084 0.4090 0.6021 -0.0008 -0.0524 0.0992 94 ASP G CB 9257 C CG . ASP G 95 ? 0.3099 0.4340 0.6126 -0.0096 -0.0389 0.0947 94 ASP G CG 9258 O OD1 . ASP G 95 ? 0.3233 0.4411 0.6113 -0.0234 -0.0379 0.1001 94 ASP G OD1 9259 O OD2 . ASP G 95 ? 0.3089 0.4601 0.6355 -0.0043 -0.0299 0.0844 94 ASP G OD2 9260 N N . ARG G 96 ? 0.3148 0.3832 0.5545 -0.0307 -0.0575 0.1039 95 ARG G N 9261 C CA . ARG G 96 ? 0.3212 0.3908 0.5582 -0.0425 -0.0652 0.1008 95 ARG G CA 9262 C C . ARG G 96 ? 0.3271 0.3784 0.5445 -0.0464 -0.0645 0.0909 95 ARG G C 9263 O O . ARG G 96 ? 0.3229 0.3597 0.5321 -0.0406 -0.0578 0.0886 95 ARG G O 9264 C CB . ARG G 96 ? 0.3220 0.4019 0.5769 -0.0515 -0.0637 0.1021 95 ARG G CB 9265 C CG . ARG G 96 ? 0.3128 0.4220 0.5948 -0.0501 -0.0638 0.1062 95 ARG G CG 9266 C CD . ARG G 96 ? 0.3091 0.4322 0.6022 -0.0521 -0.0789 0.1077 95 ARG G CD 9267 N NE . ARG G 96 ? 0.2971 0.4516 0.6258 -0.0503 -0.0800 0.1087 95 ARG G NE 9268 C CZ . ARG G 96 ? 0.2883 0.4586 0.6410 -0.0362 -0.0780 0.1064 95 ARG G CZ 9269 N NH1 . ARG G 96 ? 0.2874 0.4927 0.6795 -0.0345 -0.0784 0.1019 95 ARG G NH1 9270 N NH2 . ARG G 96 ? 0.2781 0.4312 0.6200 -0.0238 -0.0761 0.1059 95 ARG G NH2 9271 N N . GLY G 97 ? 0.3388 0.3940 0.5524 -0.0560 -0.0722 0.0821 96 GLY G N 9272 C CA . GLY G 97 ? 0.3485 0.3926 0.5534 -0.0593 -0.0718 0.0644 96 GLY G CA 9273 C C . GLY G 97 ? 0.3573 0.3869 0.5796 -0.0642 -0.0760 0.0577 96 GLY G C 9274 O O . GLY G 97 ? 0.3720 0.3939 0.5976 -0.0671 -0.0805 0.0380 96 GLY G O 9275 N N . SER G 98 ? 0.3527 0.3807 0.5884 -0.0666 -0.0756 0.0729 97 SER G N 9276 C CA . SER G 98 ? 0.3663 0.3787 0.6181 -0.0761 -0.0829 0.0740 97 SER G CA 9277 C C . SER G 98 ? 0.3654 0.3738 0.6205 -0.0790 -0.0778 0.0932 97 SER G C 9278 O O . SER G 98 ? 0.3522 0.3697 0.5980 -0.0707 -0.0671 0.1000 97 SER G O 9279 C CB . SER G 98 ? 0.3759 0.4012 0.6398 -0.0887 -0.0918 0.0726 97 SER G CB 9280 O OG . SER G 98 ? 0.3605 0.4119 0.6312 -0.0914 -0.0875 0.0875 97 SER G OG 9281 N N . ALA G 99 ? 0.3843 0.3803 0.6520 -0.0933 -0.0868 0.1016 98 ALA G N 9282 C CA . ALA G 99 ? 0.3910 0.3880 0.6575 -0.1043 -0.0837 0.1223 98 ALA G CA 9283 C C . ALA G 99 ? 0.3781 0.4159 0.6460 -0.1084 -0.0697 0.1308 98 ALA G C 9284 O O . ALA G 99 ? 0.3804 0.4317 0.6413 -0.1142 -0.0601 0.1419 98 ALA G O 9285 C CB . ALA G 99 ? 0.4197 0.3937 0.6997 -0.1239 -0.1010 0.1328 98 ALA G CB 9286 N N . LEU G 100 ? 0.3676 0.4277 0.6467 -0.1061 -0.0696 0.1232 99 LEU G N 9287 C CA . LEU G 100 ? 0.3533 0.4553 0.6457 -0.1065 -0.0593 0.1258 99 LEU G CA 9288 C C . LEU G 100 ? 0.3352 0.4497 0.6217 -0.0890 -0.0466 0.1215 99 LEU G C 9289 O O . LEU G 100 ? 0.3272 0.4772 0.6301 -0.0867 -0.0372 0.1192 99 LEU G O 9290 C CB . LEU G 100 ? 0.3491 0.4675 0.6574 -0.1053 -0.0676 0.1187 99 LEU G CB 9291 C CG . LEU G 100 ? 0.3696 0.4826 0.6888 -0.1235 -0.0808 0.1198 99 LEU G CG 9292 C CD1 . LEU G 100 ? 0.3611 0.5016 0.6978 -0.1233 -0.0876 0.1148 99 LEU G CD1 9293 C CD2 . LEU G 100 ? 0.3860 0.5061 0.7138 -0.1459 -0.0792 0.1344 99 LEU G CD2 9294 N N . GLY G 101 ? 0.3309 0.4178 0.5985 -0.0769 -0.0471 0.1179 100 GLY G N 9295 C CA . GLY G 101 ? 0.3171 0.4086 0.5787 -0.0606 -0.0384 0.1135 100 GLY G CA 9296 C C . GLY G 101 ? 0.3184 0.4219 0.5747 -0.0630 -0.0257 0.1165 100 GLY G C 9297 O O . GLY G 101 ? 0.3326 0.4345 0.5813 -0.0797 -0.0245 0.1264 100 GLY G O 9298 N N . ARG G 102 ? 0.3090 0.4248 0.5696 -0.0482 -0.0183 0.1081 103 ARG G N 9299 C CA . ARG G 102 ? 0.3114 0.4395 0.5640 -0.0482 -0.0055 0.1051 103 ARG G CA 9300 C C . ARG G 102 ? 0.3042 0.4060 0.5421 -0.0324 -0.0071 0.1010 103 ARG G C 9301 O O . ARG G 102 ? 0.2959 0.3882 0.5410 -0.0190 -0.0143 0.0968 103 ARG G O 9302 C CB . ARG G 102 ? 0.3079 0.4824 0.5879 -0.0449 0.0056 0.0918 103 ARG G CB 9303 C CG . ARG G 102 ? 0.3187 0.5284 0.6173 -0.0623 0.0089 0.0944 103 ARG G CG 9304 C CD . ARG G 102 ? 0.3385 0.5626 0.6169 -0.0888 0.0181 0.1055 103 ARG G CD 9305 N NE . ARG G 102 ? 0.3435 0.6216 0.6328 -0.0943 0.0373 0.0905 103 ARG G NE 9306 C CZ . ARG G 102 ? 0.3505 0.6816 0.6626 -0.1098 0.0476 0.0847 103 ARG G CZ 9307 N NH1 . ARG G 102 ? 0.3476 0.6801 0.6731 -0.1219 0.0385 0.0963 103 ARG G NH1 9308 N NH2 . ARG G 102 ? 0.3572 0.7441 0.6802 -0.1144 0.0676 0.0647 103 ARG G NH2 9309 N N . LEU G 103 ? 0.3121 0.4029 0.5288 -0.0371 -0.0027 0.1047 104 LEU G N 9310 C CA . LEU G 103 ? 0.3057 0.3740 0.5090 -0.0245 -0.0039 0.1010 104 LEU G CA 9311 C C . LEU G 103 ? 0.3041 0.3930 0.5147 -0.0152 0.0059 0.0874 104 LEU G C 9312 O O . LEU G 103 ? 0.3124 0.4331 0.5262 -0.0236 0.0173 0.0813 104 LEU G O 9313 C CB . LEU G 103 ? 0.3151 0.3589 0.4959 -0.0331 -0.0081 0.1112 104 LEU G CB 9314 C CG . LEU G 103 ? 0.3226 0.3415 0.5031 -0.0398 -0.0208 0.1194 104 LEU G CG 9315 C CD1 . LEU G 103 ? 0.3427 0.3365 0.5101 -0.0434 -0.0286 0.1268 104 LEU G CD1 9316 C CD2 . LEU G 103 ? 0.3069 0.3155 0.4953 -0.0294 -0.0266 0.1111 104 LEU G CD2 9317 N N . HIS G 104 ? 0.2968 0.3699 0.5111 0.0003 0.0010 0.0812 105 HIS G N 9318 C CA . HIS G 104 ? 0.2972 0.3832 0.5251 0.0119 0.0061 0.0649 105 HIS G CA 9319 C C . HIS G 104 ? 0.3008 0.3627 0.5069 0.0152 0.0051 0.0652 105 HIS G C 9320 O O . HIS G 104 ? 0.2957 0.3306 0.4961 0.0207 -0.0046 0.0718 105 HIS G O 9321 C CB . HIS G 104 ? 0.2918 0.3783 0.5518 0.0267 -0.0045 0.0585 105 HIS G CB 9322 C CG . HIS G 104 ? 0.2884 0.3995 0.5734 0.0242 -0.0062 0.0583 105 HIS G CG 9323 N ND1 . HIS G 104 ? 0.2901 0.4380 0.6120 0.0308 -0.0008 0.0400 105 HIS G ND1 9324 C CD2 . HIS G 104 ? 0.2800 0.3871 0.5616 0.0155 -0.0131 0.0715 105 HIS G CD2 9325 C CE1 . HIS G 104 ? 0.2840 0.4494 0.6240 0.0259 -0.0047 0.0446 105 HIS G CE1 9326 N NE2 . HIS G 104 ? 0.2749 0.4144 0.5891 0.0161 -0.0126 0.0644 105 HIS G NE2 9327 N N . PHE G 105 ? 0.3119 0.3880 0.5045 0.0088 0.0154 0.0582 106 PHE G N 9328 C CA . PHE G 105 ? 0.3173 0.3736 0.4870 0.0086 0.0138 0.0597 106 PHE G CA 9329 C C . PHE G 105 ? 0.3227 0.3798 0.5049 0.0220 0.0145 0.0404 106 PHE G C 9330 O O . PHE G 105 ? 0.3273 0.4136 0.5290 0.0264 0.0228 0.0195 106 PHE G O 9331 C CB . PHE G 105 ? 0.3341 0.4037 0.4775 -0.0098 0.0205 0.0662 106 PHE G CB 9332 C CG . PHE G 105 ? 0.3408 0.3981 0.4727 -0.0240 0.0134 0.0880 106 PHE G CG 9333 C CD1 . PHE G 105 ? 0.3488 0.4261 0.4894 -0.0351 0.0166 0.0933 106 PHE G CD1 9334 C CD2 . PHE G 105 ? 0.3413 0.3678 0.4587 -0.0264 0.0018 0.1015 106 PHE G CD2 9335 C CE1 . PHE G 105 ? 0.3539 0.4152 0.4876 -0.0488 0.0066 0.1128 106 PHE G CE1 9336 C CE2 . PHE G 105 ? 0.3516 0.3633 0.4666 -0.0375 -0.0086 0.1184 106 PHE G CE2 9337 C CZ . PHE G 105 ? 0.3537 0.3803 0.4761 -0.0491 -0.0070 0.1246 106 PHE G CZ 9338 N N . GLY G 106 ? 0.3210 0.3479 0.4955 0.0280 0.0053 0.0451 107 GLY G N 9339 C CA . GLY G 106 ? 0.3308 0.3515 0.5132 0.0376 0.0030 0.0291 107 GLY G CA 9340 C C . GLY G 106 ? 0.3451 0.3772 0.5025 0.0282 0.0117 0.0219 107 GLY G C 9341 O O . GLY G 106 ? 0.3485 0.3839 0.4807 0.0139 0.0144 0.0365 107 GLY G O 9342 N N . ALA G 107 ? 0.3593 0.3967 0.5247 0.0350 0.0133 -0.0002 108 ALA G N 9343 C CA . ALA G 107 ? 0.3778 0.4308 0.5167 0.0240 0.0212 -0.0098 108 ALA G CA 9344 C C . ALA G 107 ? 0.3802 0.4036 0.4942 0.0190 0.0112 0.0064 108 ALA G C 9345 O O . ALA G 107 ? 0.3977 0.4301 0.4865 0.0080 0.0136 0.0033 108 ALA G O 9346 C CB . ALA G 107 ? 0.3946 0.4693 0.5539 0.0329 0.0274 -0.0461 108 ALA G CB 9347 N N . GLY G 108 ? 0.3663 0.3589 0.4878 0.0254 -0.0001 0.0225 109 GLY G N 9348 C CA . GLY G 108 ? 0.3677 0.3382 0.4725 0.0208 -0.0088 0.0368 109 GLY G CA 9349 C C . GLY G 108 ? 0.3786 0.3339 0.4863 0.0254 -0.0157 0.0266 109 GLY G C 9350 O O . GLY G 108 ? 0.3942 0.3567 0.5113 0.0305 -0.0135 0.0048 109 GLY G O 9351 N N . THR G 109 ? 0.3750 0.3116 0.4781 0.0230 -0.0244 0.0400 110 THR G N 9352 C CA . THR G 109 ? 0.3860 0.3077 0.4910 0.0238 -0.0326 0.0343 110 THR G CA 9353 C C . THR G 109 ? 0.3912 0.3142 0.4764 0.0149 -0.0361 0.0403 110 THR G C 9354 O O . THR G 109 ? 0.3818 0.3037 0.4639 0.0113 -0.0390 0.0553 110 THR G O 9355 C CB . THR G 109 ? 0.3774 0.2813 0.4970 0.0250 -0.0412 0.0456 110 THR G CB 9356 O OG1 . THR G 109 ? 0.3846 0.2827 0.5245 0.0321 -0.0445 0.0418 110 THR G OG1 9357 C CG2 . THR G 109 ? 0.3883 0.2787 0.5081 0.0209 -0.0503 0.0444 110 THR G CG2 9358 N N . GLN G 110 ? 0.4102 0.3359 0.4853 0.0119 -0.0378 0.0267 111 GLN G N 9359 C CA . GLN G 110 ? 0.4203 0.3468 0.4770 0.0023 -0.0451 0.0330 111 GLN G CA 9360 C C . GLN G 110 ? 0.4089 0.3192 0.4778 0.0030 -0.0555 0.0383 111 GLN G C 9361 O O . GLN G 110 ? 0.4171 0.3163 0.4966 0.0056 -0.0591 0.0278 111 GLN G O 9362 C CB . GLN G 110 ? 0.4494 0.3907 0.4860 -0.0047 -0.0428 0.0150 111 GLN G CB 9363 C CG . GLN G 110 ? 0.4776 0.4460 0.4934 -0.0141 -0.0325 0.0134 111 GLN G CG 9364 C CD . GLN G 110 ? 0.5266 0.5199 0.5317 -0.0182 -0.0230 -0.0168 111 GLN G CD 9365 O OE1 . GLN G 110 ? 0.5450 0.5307 0.5589 -0.0127 -0.0265 -0.0377 111 GLN G OE1 9366 N NE2 . GLN G 110 ? 0.5473 0.5734 0.5351 -0.0294 -0.0107 -0.0214 111 GLN G NE2 9367 N N . LEU G 111 ? 0.3929 0.3032 0.4646 0.0001 -0.0614 0.0533 112 LEU G N 9368 C CA . LEU G 111 ? 0.3867 0.2918 0.4715 -0.0018 -0.0697 0.0561 112 LEU G CA 9369 C C . LEU G 111 ? 0.4006 0.3095 0.4763 -0.0084 -0.0811 0.0582 112 LEU G C 9370 O O . LEU G 111 ? 0.4067 0.3207 0.4747 -0.0113 -0.0866 0.0677 112 LEU G O 9371 C CB . LEU G 111 ? 0.3651 0.2749 0.4687 0.0002 -0.0679 0.0651 112 LEU G CB 9372 C CG . LEU G 111 ? 0.3585 0.2751 0.4796 -0.0040 -0.0737 0.0660 112 LEU G CG 9373 C CD1 . LEU G 111 ? 0.3684 0.2771 0.4916 -0.0102 -0.0756 0.0630 112 LEU G CD1 9374 C CD2 . LEU G 111 ? 0.3427 0.2735 0.4821 -0.0026 -0.0686 0.0682 112 LEU G CD2 9375 N N . ILE G 112 ? 0.4095 0.3142 0.4873 -0.0124 -0.0878 0.0512 113 ILE G N 9376 C CA . ILE G 112 ? 0.4220 0.3314 0.4963 -0.0192 -0.1015 0.0541 113 ILE G CA 9377 C C . ILE G 112 ? 0.4116 0.3236 0.5122 -0.0206 -0.1071 0.0556 113 ILE G C 9378 O O . ILE G 112 ? 0.4113 0.3166 0.5189 -0.0234 -0.1051 0.0499 113 ILE G O 9379 C CB . ILE G 112 ? 0.4499 0.3587 0.4997 -0.0267 -0.1058 0.0414 113 ILE G CB 9380 C CG1 . ILE G 112 ? 0.4647 0.3830 0.4866 -0.0301 -0.0984 0.0384 113 ILE G CG1 9381 C CG2 . ILE G 112 ? 0.4623 0.3758 0.5096 -0.0354 -0.1232 0.0462 113 ILE G CG2 9382 C CD1 . ILE G 112 ? 0.4952 0.4218 0.4921 -0.0384 -0.0976 0.0180 113 ILE G CD1 9383 N N . VAL G 113 ? 0.4053 0.3286 0.5238 -0.0197 -0.1156 0.0629 114 VAL G N 9384 C CA . VAL G 113 ? 0.3968 0.3336 0.5448 -0.0222 -0.1197 0.0608 114 VAL G CA 9385 C C . VAL G 113 ? 0.4146 0.3554 0.5650 -0.0282 -0.1374 0.0606 114 VAL G C 9386 O O . VAL G 113 ? 0.4253 0.3667 0.5735 -0.0270 -0.1514 0.0676 114 VAL G O 9387 C CB . VAL G 113 ? 0.3754 0.3299 0.5542 -0.0153 -0.1165 0.0614 114 VAL G CB 9388 C CG1 . VAL G 113 ? 0.3645 0.3434 0.5734 -0.0209 -0.1138 0.0542 114 VAL G CG1 9389 C CG2 . VAL G 113 ? 0.3610 0.3108 0.5320 -0.0102 -0.1018 0.0628 114 VAL G CG2 9390 N N . ILE G 114 ? 0.4236 0.3655 0.5784 -0.0366 -0.1397 0.0547 115 ILE G N 9391 C CA . ILE G 114 ? 0.4434 0.3913 0.6031 -0.0437 -0.1573 0.0535 115 ILE G CA 9392 C C . ILE G 114 ? 0.4320 0.4061 0.6348 -0.0415 -0.1642 0.0541 115 ILE G C 9393 O O . ILE G 114 ? 0.4146 0.4063 0.6414 -0.0439 -0.1530 0.0494 115 ILE G O 9394 C CB . ILE G 114 ? 0.4596 0.3977 0.6110 -0.0547 -0.1591 0.0453 115 ILE G CB 9395 C CG1 . ILE G 114 ? 0.4755 0.3908 0.5940 -0.0540 -0.1531 0.0370 115 ILE G CG1 9396 C CG2 . ILE G 114 ? 0.4757 0.4223 0.6330 -0.0633 -0.1784 0.0436 115 ILE G CG2 9397 C CD1 . ILE G 114 ? 0.5029 0.4022 0.6215 -0.0623 -0.1566 0.0259 115 ILE G CD1 9398 N N . PRO G 115 ? 0.4445 0.4243 0.6593 -0.0382 -0.1841 0.0591 116 PRO G N 9399 C CA . PRO G 115 ? 0.4348 0.4417 0.7014 -0.0324 -0.1939 0.0550 116 PRO G CA 9400 C C . PRO G 115 ? 0.4369 0.4659 0.7274 -0.0426 -0.1980 0.0470 116 PRO G C 9401 O O . PRO G 115 ? 0.4552 0.4723 0.7216 -0.0537 -0.2060 0.0487 116 PRO G O 9402 C CB . PRO G 115 ? 0.4544 0.4521 0.7230 -0.0279 -0.2210 0.0668 116 PRO G CB 9403 C CG . PRO G 115 ? 0.4821 0.4581 0.6962 -0.0399 -0.2268 0.0754 116 PRO G CG 9404 C CD . PRO G 115 ? 0.4714 0.4350 0.6531 -0.0416 -0.2003 0.0688 116 PRO G CD 9405 N N . ASP G 116 ? 0.4212 0.4858 0.7599 -0.0401 -0.1920 0.0357 117 ASP G N 9406 C CA . ASP G 116 ? 0.4255 0.5210 0.7942 -0.0521 -0.1945 0.0273 117 ASP G CA 9407 C C . ASP G 116 ? 0.4332 0.5462 0.8435 -0.0454 -0.2215 0.0245 117 ASP G C 9408 O O . ASP G 116 ? 0.4258 0.5583 0.8817 -0.0303 -0.2284 0.0163 117 ASP G O 9409 C CB . ASP G 116 ? 0.4071 0.5426 0.8059 -0.0575 -0.1715 0.0145 117 ASP G CB 9410 C CG . ASP G 116 ? 0.4227 0.5901 0.8406 -0.0781 -0.1692 0.0095 117 ASP G CG 9411 O OD1 . ASP G 116 ? 0.4451 0.6049 0.8620 -0.0851 -0.1873 0.0134 117 ASP G OD1 9412 O OD2 . ASP G 116 ? 0.4267 0.6297 0.8593 -0.0904 -0.1493 0.0021 117 ASP G OD2 9413 N N . ILE G 117 ? 0.6589 0.8276 0.7939 -0.0317 -0.0728 0.3091 118 ILE G N 9414 C CA . ILE G 117 ? 0.6184 0.7955 0.7914 -0.0513 -0.0671 0.2831 118 ILE G CA 9415 C C . ILE G 117 ? 0.6490 0.8379 0.8327 -0.0859 -0.0524 0.3053 118 ILE G C 9416 O O . ILE G 117 ? 0.7037 0.8375 0.8780 -0.1044 -0.0531 0.3330 118 ILE G O 9417 C CB . ILE G 117 ? 0.6036 0.7223 0.7933 -0.0452 -0.0819 0.2637 118 ILE G CB 9418 C CG1 . ILE G 117 ? 0.5606 0.6896 0.7488 -0.0157 -0.0894 0.2355 118 ILE G CG1 9419 C CG2 . ILE G 117 ? 0.5815 0.7127 0.8074 -0.0686 -0.0806 0.2475 118 ILE G CG2 9420 C CD1 . ILE G 117 ? 0.5531 0.6265 0.7480 -0.0061 -0.1009 0.2175 118 ILE G CD1 9421 N N . GLN G 118 ? 0.6200 0.8797 0.8245 -0.0951 -0.0357 0.2916 119 GLN G N 9422 C CA . GLN G 118 ? 0.6481 0.9445 0.8669 -0.1269 -0.0158 0.3116 119 GLN G CA 9423 C C . GLN G 118 ? 0.6478 0.9321 0.9107 -0.1559 -0.0204 0.3105 119 GLN G C 9424 O O . GLN G 118 ? 0.6999 0.9608 0.9611 -0.1898 -0.0146 0.3380 119 GLN G O 9425 C CB . GLN G 118 ? 0.6224 1.0026 0.8512 -0.1218 0.0077 0.2933 119 GLN G CB 9426 N N . ASN G 119 ? 0.5965 0.8979 0.8963 -0.1451 -0.0310 0.2797 120 ASN G N 9427 C CA . ASN G 119 ? 0.5960 0.9043 0.9386 -0.1722 -0.0408 0.2755 120 ASN G CA 9428 C C . ASN G 119 ? 0.5802 0.8331 0.9208 -0.1613 -0.0675 0.2545 120 ASN G C 9429 O O . ASN G 119 ? 0.5347 0.8183 0.8995 -0.1414 -0.0750 0.2318 120 ASN G O 9430 C CB . ASN G 119 ? 0.5601 0.9668 0.9575 -0.1733 -0.0263 0.2655 120 ASN G CB 9431 N N . PRO G 120 ? 0.6274 0.7937 0.9351 -0.1726 -0.0789 0.2632 121 PRO G N 9432 C CA . PRO G 120 ? 0.6256 0.7349 0.9239 -0.1651 -0.1002 0.2414 121 PRO G CA 9433 C C . PRO G 120 ? 0.6216 0.7623 0.9557 -0.1945 -0.1147 0.2270 121 PRO G C 9434 O O . PRO G 120 ? 0.6518 0.8207 1.0103 -0.2365 -0.1110 0.2388 121 PRO G O 9435 C CB . PRO G 120 ? 0.6979 0.7074 0.9542 -0.1737 -0.1007 0.2574 121 PRO G CB 9436 C CG . PRO G 120 ? 0.7474 0.7631 1.0014 -0.2035 -0.0831 0.2906 121 PRO G CG 9437 C CD . PRO G 120 ? 0.6970 0.8085 0.9704 -0.1900 -0.0688 0.2954 121 PRO G CD 9438 N N . ASP G 121 ? 0.5880 0.7300 0.9244 -0.1740 -0.1312 0.2031 122 ASP G N 9439 C CA . ASP G 121 ? 0.5837 0.7663 0.9492 -0.1950 -0.1505 0.1901 122 ASP G CA 9440 C C . ASP G 121 ? 0.5937 0.7150 0.9241 -0.1830 -0.1697 0.1673 122 ASP G C 9441 O O . ASP G 121 ? 0.5583 0.7117 0.8961 -0.1572 -0.1792 0.1558 122 ASP G O 9442 C CB . ASP G 121 ? 0.5274 0.8126 0.9419 -0.1728 -0.1462 0.1906 122 ASP G CB 9443 C CG . ASP G 121 ? 0.5322 0.8887 0.9896 -0.1948 -0.1671 0.1867 122 ASP G CG 9444 O OD1 . ASP G 121 ? 0.5826 0.9229 1.0368 -0.2413 -0.1830 0.1830 122 ASP G OD1 9445 O OD2 . ASP G 121 ? 0.4962 0.9265 0.9905 -0.1651 -0.1673 0.1873 122 ASP G OD2 9446 N N . PRO G 122 ? 0.6524 0.6803 0.9414 -0.2002 -0.1720 0.1619 123 PRO G N 9447 C CA . PRO G 122 ? 0.6724 0.6319 0.9197 -0.1854 -0.1826 0.1386 123 PRO G CA 9448 C C . PRO G 122 ? 0.6717 0.6683 0.9236 -0.1995 -0.2067 0.1192 123 PRO G C 9449 O O . PRO G 122 ? 0.6997 0.7350 0.9730 -0.2428 -0.2205 0.1177 123 PRO G O 9450 C CB . PRO G 122 ? 0.7574 0.6151 0.9679 -0.2111 -0.1766 0.1379 123 PRO G CB 9451 C CG . PRO G 122 ? 0.7711 0.6343 0.9963 -0.2223 -0.1589 0.1686 123 PRO G CG 9452 C CD . PRO G 122 ? 0.7179 0.6940 0.9953 -0.2361 -0.1609 0.1781 123 PRO G CD 9453 N N . ALA G 123 ? 0.6445 0.6348 0.8759 -0.1649 -0.2116 0.1061 124 ALA G N 9454 C CA . ALA G 123 ? 0.6487 0.6741 0.8741 -0.1700 -0.2351 0.0924 124 ALA G CA 9455 C C . ALA G 123 ? 0.6526 0.6257 0.8303 -0.1389 -0.2337 0.0757 124 ALA G C 9456 O O . ALA G 123 ? 0.6266 0.5643 0.7932 -0.1059 -0.2139 0.0772 124 ALA G O 9457 C CB . ALA G 123 ? 0.5964 0.7289 0.8745 -0.1555 -0.2416 0.1091 124 ALA G CB 9458 N N . VAL G 124 ? 0.6895 0.6655 0.8382 -0.1526 -0.2550 0.0599 125 VAL G N 9459 C CA . VAL G 124 ? 0.7035 0.6375 0.8023 -0.1272 -0.2529 0.0450 125 VAL G CA 9460 C C . VAL G 124 ? 0.6880 0.6916 0.7905 -0.1128 -0.2719 0.0546 125 VAL G C 9461 O O . VAL G 124 ? 0.7205 0.7721 0.8225 -0.1404 -0.3001 0.0520 125 VAL G O 9462 C CB . VAL G 124 ? 0.7863 0.6382 0.8253 -0.1538 -0.2559 0.0143 125 VAL G CB 9463 C CG1 . VAL G 124 ? 0.8078 0.6287 0.7935 -0.1293 -0.2519 -0.0009 125 VAL G CG1 9464 C CG2 . VAL G 124 ? 0.8106 0.5819 0.8442 -0.1554 -0.2326 0.0103 125 VAL G CG2 9465 N N . TYR G 125 ? 0.6463 0.6552 0.7517 -0.0703 -0.2561 0.0668 126 TYR G N 9466 C CA . TYR G 125 ? 0.6387 0.7031 0.7489 -0.0466 -0.2679 0.0843 126 TYR G CA 9467 C C . TYR G 125 ? 0.6737 0.6924 0.7216 -0.0286 -0.2637 0.0768 126 TYR G C 9468 O O . TYR G 125 ? 0.6770 0.6300 0.6956 -0.0203 -0.2402 0.0618 126 TYR G O 9469 C CB . TYR G 125 ? 0.5808 0.6822 0.7420 -0.0126 -0.2483 0.1066 126 TYR G CB 9470 C CG . TYR G 125 ? 0.5470 0.7032 0.7692 -0.0263 -0.2474 0.1165 126 TYR G CG 9471 C CD1 . TYR G 125 ? 0.5509 0.7913 0.8127 -0.0426 -0.2717 0.1286 126 TYR G CD1 9472 C CD2 . TYR G 125 ? 0.5127 0.6459 0.7532 -0.0233 -0.2219 0.1149 126 TYR G CD2 9473 C CE1 . TYR G 125 ? 0.5244 0.8208 0.8442 -0.0572 -0.2661 0.1380 126 TYR G CE1 9474 C CE2 . TYR G 125 ? 0.4861 0.6696 0.7757 -0.0368 -0.2175 0.1255 126 TYR G CE2 9475 C CZ . TYR G 125 ? 0.4940 0.7571 0.8240 -0.0541 -0.2373 0.1367 126 TYR G CZ 9476 O OH . TYR G 125 ? 0.4711 0.7889 0.8514 -0.0695 -0.2285 0.1473 126 TYR G OH 9477 N N . GLN G 126 ? 0.7039 0.7650 0.7332 -0.0215 -0.2860 0.0901 127 GLN G N 9478 C CA . GLN G 126 ? 0.7468 0.7713 0.7120 -0.0042 -0.2815 0.0898 127 GLN G CA 9479 C C . GLN G 126 ? 0.7261 0.7621 0.7066 0.0400 -0.2646 0.1207 127 GLN G C 9480 O O . GLN G 126 ? 0.7222 0.8222 0.7357 0.0583 -0.2803 0.1486 127 GLN G O 9481 C CB . GLN G 126 ? 0.8148 0.8721 0.7329 -0.0275 -0.3185 0.0850 127 GLN G CB 9482 C CG . GLN G 126 ? 0.8760 0.8865 0.7105 -0.0190 -0.3127 0.0784 127 GLN G CG 9483 C CD . GLN G 126 ? 0.9575 1.0022 0.7348 -0.0484 -0.3511 0.0679 127 GLN G CD 9484 O OE1 . GLN G 126 ? 1.0235 1.0263 0.7219 -0.0526 -0.3469 0.0531 127 GLN G OE1 9485 N NE2 . GLN G 126 ? 0.9580 1.0856 0.7743 -0.0716 -0.3882 0.0740 127 GLN G NE2 9486 N N . LEU G 127 ? 0.7197 0.6931 0.6780 0.0569 -0.2304 0.1151 128 LEU G N 9487 C CA . LEU G 127 ? 0.7121 0.6741 0.6800 0.0925 -0.2057 0.1387 128 LEU G CA 9488 C C . LEU G 127 ? 0.7742 0.6941 0.6730 0.1039 -0.1962 0.1468 128 LEU G C 9489 O O . LEU G 127 ? 0.7949 0.6694 0.6494 0.0889 -0.1832 0.1235 128 LEU G O 9490 C CB . LEU G 127 ? 0.6615 0.5905 0.6621 0.0962 -0.1706 0.1253 128 LEU G CB 9491 C CG . LEU G 127 ? 0.6037 0.5689 0.6696 0.0934 -0.1685 0.1239 128 LEU G CG 9492 C CD1 . LEU G 127 ? 0.5909 0.5719 0.6687 0.0621 -0.1881 0.1073 128 LEU G CD1 9493 C CD2 . LEU G 127 ? 0.5694 0.5017 0.6498 0.1008 -0.1328 0.1131 128 LEU G CD2 9494 N N . ARG G 128 ? 0.8124 0.7468 0.7020 0.1332 -0.1995 0.1820 129 ARG G N 9495 C CA . ARG G 128 ? 0.8876 0.7849 0.7039 0.1444 -0.1925 0.1981 129 ARG G CA 9496 C C . ARG G 128 ? 0.9008 0.7334 0.7091 0.1656 -0.1468 0.2110 129 ARG G C 9497 O O . ARG G 128 ? 0.8656 0.6921 0.7260 0.1812 -0.1266 0.2167 129 ARG G O 9498 C CB . ARG G 128 ? 0.9429 0.8976 0.7380 0.1616 -0.2306 0.2336 129 ARG G CB 9499 C CG . ARG G 128 ? 0.9570 0.9726 0.7432 0.1279 -0.2759 0.2141 129 ARG G CG 9500 C CD . ARG G 128 ? 1.0337 1.1208 0.7944 0.1417 -0.3180 0.2483 129 ARG G CD 9501 N NE . ARG G 128 ? 1.0638 1.2064 0.8071 0.0984 -0.3605 0.2216 129 ARG G NE 9502 C CZ . ARG G 128 ? 1.1351 1.2559 0.7935 0.0698 -0.3724 0.1986 129 ARG G CZ 9503 N NH1 . ARG G 128 ? 1.1855 1.2370 0.7699 0.0819 -0.3446 0.2023 129 ARG G NH1 9504 N NH2 . ARG G 128 ? 1.1632 1.3308 0.8085 0.0255 -0.4096 0.1695 129 ARG G NH2 9505 N N . ASP G 129 ? 0.9599 0.7431 0.6996 0.1619 -0.1281 0.2125 130 ASP G N 9506 C CA . ASP G 129 ? 0.9895 0.7059 0.7128 0.1723 -0.0815 0.2230 130 ASP G CA 9507 C C . ASP G 129 ? 1.0424 0.7438 0.7649 0.2111 -0.0757 0.2712 130 ASP G C 9508 O O . ASP G 129 ? 1.0844 0.8257 0.7881 0.2331 -0.1089 0.3043 130 ASP G O 9509 C CB . ASP G 129 ? 1.0475 0.7230 0.6946 0.1557 -0.0627 0.2145 130 ASP G CB 9510 C CG . ASP G 129 ? 1.0650 0.6774 0.7064 0.1502 -0.0092 0.2115 130 ASP G CG 9511 O OD1 . ASP G 129 ? 1.0982 0.6721 0.7454 0.1693 0.0133 0.2402 130 ASP G OD1 9512 O OD2 . ASP G 129 ? 1.0569 0.6577 0.6879 0.1260 0.0123 0.1796 130 ASP G OD2 9513 N N . SER G 130 ? 1.0489 0.6934 0.7920 0.2196 -0.0329 0.2744 131 SER G N 9514 C CA . SER G 130 ? 1.1142 0.7204 0.8559 0.2595 -0.0158 0.3182 131 SER G CA 9515 C C . SER G 130 ? 1.2223 0.7705 0.8814 0.2718 0.0000 0.3565 131 SER G C 9516 O O . SER G 130 ? 1.2958 0.8254 0.9378 0.3135 -0.0008 0.4060 131 SER G O 9517 C CB . SER G 130 ? 1.0955 0.6493 0.8819 0.2575 0.0286 0.3008 131 SER G CB 9518 O OG . SER G 130 ? 1.1055 0.6047 0.8673 0.2219 0.0670 0.2736 131 SER G OG 9519 N N . LYS G 131 ? 1.2398 0.7610 0.8478 0.2383 0.0168 0.3358 132 LYS G N 9520 C CA . LYS G 131 ? 1.3483 0.8123 0.8701 0.2422 0.0384 0.3692 132 LYS G CA 9521 C C . LYS G 131 ? 1.3825 0.8933 0.8366 0.2346 0.0016 0.3736 132 LYS G C 9522 O O . LYS G 131 ? 1.4784 0.9525 0.8501 0.2373 0.0148 0.4028 132 LYS G O 9523 C CB . LYS G 131 ? 1.3625 0.7568 0.8711 0.2081 0.0955 0.3449 132 LYS G CB 9524 C CG . LYS G 131 ? 1.4258 0.7313 0.9419 0.2197 0.1439 0.3678 132 LYS G CG 9525 C CD . LYS G 131 ? 1.3664 0.6803 0.9662 0.2297 0.1454 0.3482 132 LYS G CD 9526 C CE . LYS G 131 ? 1.4627 0.6825 1.0579 0.2564 0.1861 0.3814 132 LYS G CE 9527 N NZ . LYS G 131 ? 1.4137 0.6432 1.0835 0.2714 0.1880 0.3623 132 LYS G NZ 9528 N N . SER G 132 ? 1.3152 0.9029 0.7994 0.2220 -0.0422 0.3436 133 SER G N 9529 C CA . SER G 132 ? 1.3503 0.9843 0.7721 0.2082 -0.0796 0.3373 133 SER G CA 9530 C C . SER G 132 ? 1.2990 1.0214 0.7664 0.2089 -0.1358 0.3278 133 SER G C 9531 O O . SER G 132 ? 1.2102 0.9567 0.7509 0.1951 -0.1405 0.2943 133 SER G O 9532 C CB . SER G 132 ? 1.3373 0.9506 0.7288 0.1686 -0.0566 0.2877 133 SER G CB 9533 O OG . SER G 132 ? 1.3763 1.0281 0.7071 0.1520 -0.0903 0.2717 133 SER G OG 9534 N N . SER G 133 ? 1.3627 1.1378 0.7849 0.2227 -0.1785 0.3588 134 SER G N 9535 C CA . SER G 133 ? 1.3284 1.1995 0.7899 0.2169 -0.2344 0.3512 134 SER G CA 9536 C C . SER G 133 ? 1.3031 1.1929 0.7475 0.1668 -0.2516 0.2922 134 SER G C 9537 O O . SER G 133 ? 1.2478 1.1942 0.7480 0.1483 -0.2819 0.2684 134 SER G O 9538 C CB . SER G 133 ? 1.4135 1.3469 0.8296 0.2454 -0.2772 0.4035 134 SER G CB 9539 O OG . SER G 133 ? 1.3809 1.4214 0.8448 0.2367 -0.3318 0.3968 134 SER G OG 9540 N N . ASP G 134 ? 1.3515 1.1880 0.7187 0.1452 -0.2274 0.2690 135 ASP G N 9541 C CA . ASP G 134 ? 1.3587 1.1993 0.6894 0.1028 -0.2392 0.2145 135 ASP G CA 9542 C C . ASP G 134 ? 1.2945 1.0803 0.6612 0.0837 -0.1988 0.1666 135 ASP G C 9543 O O . ASP G 134 ? 1.3204 1.0860 0.6460 0.0560 -0.1937 0.1229 135 ASP G O 9544 C CB . ASP G 134 ? 1.4725 1.3014 0.6837 0.0928 -0.2420 0.2174 135 ASP G CB 9545 C CG . ASP G 134 ? 1.5200 1.2778 0.6829 0.1093 -0.1890 0.2396 135 ASP G CG 9546 O OD1 . ASP G 134 ? 1.5248 1.2333 0.6634 0.0894 -0.1497 0.2015 135 ASP G OD1 9547 O OD2 . ASP G 134 ? 1.5604 1.3108 0.7131 0.1427 -0.1841 0.2963 135 ASP G OD2 9548 N N . LYS G 135 ? 1.2199 0.9836 0.6612 0.1001 -0.1698 0.1744 136 LYS G N 9549 C CA . LYS G 135 ? 1.1527 0.8834 0.6401 0.0858 -0.1380 0.1341 136 LYS G CA 9550 C C . LYS G 135 ? 1.0600 0.8222 0.6420 0.0874 -0.1522 0.1291 136 LYS G C 9551 O O . LYS G 135 ? 1.0319 0.8117 0.6599 0.1097 -0.1539 0.1601 136 LYS G O 9552 C CB . LYS G 135 ? 1.1565 0.8349 0.6396 0.0948 -0.0851 0.1406 136 LYS G CB 9553 C CG . LYS G 135 ? 1.2396 0.8834 0.6358 0.0846 -0.0587 0.1312 136 LYS G CG 9554 C CD . LYS G 135 ? 1.2341 0.8369 0.6443 0.0841 -0.0031 0.1285 136 LYS G CD 9555 N N . SER G 136 ? 1.0226 0.7872 0.6298 0.0652 -0.1591 0.0911 137 SER G N 9556 C CA . SER G 136 ? 0.9460 0.7416 0.6344 0.0624 -0.1731 0.0873 137 SER G CA 9557 C C . SER G 136 ? 0.9015 0.6704 0.6226 0.0493 -0.1546 0.0523 137 SER G C 9558 O O . SER G 136 ? 0.9337 0.6646 0.6156 0.0408 -0.1366 0.0253 137 SER G O 9559 C CB . SER G 136 ? 0.9589 0.8125 0.6540 0.0483 -0.2209 0.0929 137 SER G CB 9560 O OG . SER G 136 ? 1.0020 0.8432 0.6541 0.0156 -0.2366 0.0574 137 SER G OG 9561 N N . VAL G 137 ? 0.8336 0.6249 0.6257 0.0512 -0.1574 0.0555 138 VAL G N 9562 C CA . VAL G 137 ? 0.7978 0.5728 0.6244 0.0416 -0.1472 0.0308 138 VAL G CA 9563 C C . VAL G 137 ? 0.7798 0.5848 0.6431 0.0238 -0.1765 0.0303 138 VAL G C 9564 O O . VAL G 137 ? 0.7746 0.6273 0.6551 0.0220 -0.2014 0.0503 138 VAL G O 9565 C CB . VAL G 137 ? 0.7389 0.5129 0.6143 0.0571 -0.1172 0.0342 138 VAL G CB 9566 C CG1 . VAL G 137 ? 0.7611 0.5059 0.6061 0.0653 -0.0836 0.0277 138 VAL G CG1 9567 C CG2 . VAL G 137 ? 0.6976 0.5062 0.6176 0.0688 -0.1210 0.0598 138 VAL G CG2 9568 N N . CYS G 138 ? 0.7759 0.5544 0.6530 0.0119 -0.1715 0.0099 139 CYS G N 9569 C CA . CYS G 138 ? 0.7638 0.5610 0.6766 -0.0089 -0.1919 0.0107 139 CYS G CA 9570 C C . CYS G 138 ? 0.7039 0.5061 0.6717 0.0019 -0.1754 0.0184 139 CYS G C 9571 O O . CYS G 138 ? 0.6993 0.4689 0.6666 0.0148 -0.1529 0.0082 139 CYS G O 9572 C CB . CYS G 138 ? 0.8312 0.5820 0.7038 -0.0371 -0.2009 -0.0173 139 CYS G CB 9573 S SG . CYS G 138 ? 0.9235 0.6777 0.7215 -0.0579 -0.2249 -0.0314 139 CYS G SG 9574 N N . LEU G 139 ? 0.6629 0.5143 0.6782 -0.0022 -0.1867 0.0372 140 LEU G N 9575 C CA . LEU G 139 ? 0.6113 0.4771 0.6727 0.0067 -0.1722 0.0465 140 LEU G CA 9576 C C . LEU G 139 ? 0.6172 0.4872 0.7017 -0.0174 -0.1833 0.0499 140 LEU G C 9577 O O . LEU G 139 ? 0.6146 0.5301 0.7236 -0.0347 -0.2006 0.0607 140 LEU G O 9578 C CB . LEU G 139 ? 0.5674 0.4818 0.6626 0.0246 -0.1658 0.0647 140 LEU G CB 9579 C CG . LEU G 139 ? 0.5196 0.4556 0.6551 0.0331 -0.1488 0.0709 140 LEU G CG 9580 C CD1 . LEU G 139 ? 0.5094 0.4186 0.6351 0.0458 -0.1262 0.0588 140 LEU G CD1 9581 C CD2 . LEU G 139 ? 0.4907 0.4700 0.6558 0.0470 -0.1435 0.0853 140 LEU G CD2 9582 N N . PHE G 140 ? 0.6317 0.4556 0.7097 -0.0174 -0.1718 0.0430 141 PHE G N 9583 C CA . PHE G 140 ? 0.6441 0.4584 0.7406 -0.0373 -0.1750 0.0518 141 PHE G CA 9584 C C . PHE G 140 ? 0.5879 0.4462 0.7240 -0.0220 -0.1633 0.0712 141 PHE G C 9585 O O . PHE G 140 ? 0.5677 0.4208 0.7041 0.0024 -0.1479 0.0706 141 PHE G O 9586 C CB . PHE G 140 ? 0.7032 0.4375 0.7686 -0.0366 -0.1650 0.0392 141 PHE G CB 9587 C CG . PHE G 140 ? 0.7405 0.4427 0.8142 -0.0584 -0.1650 0.0508 141 PHE G CG 9588 C CD1 . PHE G 140 ? 0.7472 0.4798 0.8399 -0.0964 -0.1797 0.0592 141 PHE G CD1 9589 C CD2 . PHE G 140 ? 0.7781 0.4195 0.8410 -0.0401 -0.1487 0.0556 141 PHE G CD2 9590 C CE1 . PHE G 140 ? 0.7959 0.4921 0.8931 -0.1217 -0.1754 0.0717 141 PHE G CE1 9591 C CE2 . PHE G 140 ? 0.8276 0.4259 0.8916 -0.0587 -0.1454 0.0716 141 PHE G CE2 9592 C CZ . PHE G 140 ? 0.8380 0.4597 0.9169 -0.1027 -0.1574 0.0792 141 PHE G CZ 9593 N N . THR G 141 ? 0.5669 0.4759 0.7360 -0.0379 -0.1699 0.0865 142 THR G N 9594 C CA . THR G 141 ? 0.5215 0.4776 0.7224 -0.0252 -0.1568 0.1013 142 THR G CA 9595 C C . THR G 141 ? 0.5273 0.5118 0.7539 -0.0487 -0.1572 0.1197 142 THR G C 9596 O O . THR G 141 ? 0.5613 0.5433 0.7921 -0.0796 -0.1695 0.1218 142 THR G O 9597 C CB . THR G 141 ? 0.4796 0.4843 0.6984 -0.0067 -0.1519 0.1003 142 THR G CB 9598 O OG1 . THR G 141 ? 0.4494 0.4885 0.6896 0.0044 -0.1346 0.1066 142 THR G OG1 9599 C CG2 . THR G 141 ? 0.4850 0.5355 0.7259 -0.0191 -0.1675 0.1076 142 THR G CG2 9600 N N . ASP G 142 ? 0.5011 0.5148 0.7419 -0.0377 -0.1423 0.1315 143 ASP G N 9601 C CA . ASP G 142 ? 0.5067 0.5569 0.7695 -0.0571 -0.1363 0.1513 143 ASP G CA 9602 C C . ASP G 142 ? 0.5647 0.5643 0.8112 -0.0817 -0.1378 0.1663 143 ASP G C 9603 O O . ASP G 142 ? 0.5838 0.6071 0.8470 -0.1089 -0.1337 0.1835 143 ASP G O 9604 C CB . ASP G 142 ? 0.4878 0.6050 0.7894 -0.0707 -0.1404 0.1537 143 ASP G CB 9605 C CG . ASP G 142 ? 0.4482 0.6100 0.7672 -0.0408 -0.1303 0.1458 143 ASP G CG 9606 O OD1 . ASP G 142 ? 0.4281 0.5631 0.7256 -0.0171 -0.1222 0.1340 143 ASP G OD1 9607 O OD2 . ASP G 142 ? 0.4384 0.6621 0.7948 -0.0413 -0.1284 0.1514 143 ASP G OD2 9608 N N . PHE G 143 ? 0.6002 0.5271 0.8143 -0.0712 -0.1400 0.1607 144 PHE G N 9609 C CA . PHE G 143 ? 0.6698 0.5289 0.8625 -0.0860 -0.1362 0.1769 144 PHE G CA 9610 C C . PHE G 143 ? 0.6755 0.5426 0.8616 -0.0654 -0.1239 0.2038 144 PHE G C 9611 O O . PHE G 143 ? 0.6275 0.5418 0.8186 -0.0376 -0.1206 0.2007 144 PHE G O 9612 C CB . PHE G 143 ? 0.7188 0.4917 0.8785 -0.0781 -0.1397 0.1590 144 PHE G CB 9613 C CG . PHE G 143 ? 0.6836 0.4571 0.8340 -0.0361 -0.1367 0.1445 144 PHE G CG 9614 C CD1 . PHE G 143 ? 0.6941 0.4462 0.8349 -0.0031 -0.1272 0.1579 144 PHE G CD1 9615 C CD2 . PHE G 143 ? 0.6432 0.4430 0.7953 -0.0300 -0.1430 0.1200 144 PHE G CD2 9616 C CE1 . PHE G 143 ? 0.6634 0.4292 0.8033 0.0311 -0.1236 0.1433 144 PHE G CE1 9617 C CE2 . PHE G 143 ? 0.6171 0.4180 0.7615 0.0025 -0.1364 0.1069 144 PHE G CE2 9618 C CZ . PHE G 143 ? 0.6235 0.4116 0.7651 0.0310 -0.1264 0.1166 144 PHE G CZ 9619 N N . ASP G 144 ? 0.7422 0.5637 0.9140 -0.0820 -0.1169 0.2308 145 ASP G N 9620 C CA . ASP G 144 ? 0.7631 0.5909 0.9207 -0.0619 -0.1073 0.2636 145 ASP G CA 9621 C C . ASP G 144 ? 0.7871 0.5693 0.9231 -0.0179 -0.1084 0.2667 145 ASP G C 9622 O O . ASP G 144 ? 0.7912 0.5315 0.9227 -0.0053 -0.1125 0.2415 145 ASP G O 9623 C CB . ASP G 144 ? 0.8373 0.6279 0.9834 -0.0946 -0.0964 0.2977 145 ASP G CB 9624 C CG . ASP G 144 ? 0.9342 0.6079 1.0556 -0.1091 -0.0937 0.3001 145 ASP G CG 9625 O OD1 . ASP G 144 ? 0.9414 0.5773 1.0613 -0.1116 -0.1021 0.2667 145 ASP G OD1 9626 O OD2 . ASP G 144 ? 1.0159 0.6299 1.1143 -0.1192 -0.0808 0.3354 145 ASP G OD2 9627 N N . SER G 145 ? 0.8083 0.6065 0.9309 0.0064 -0.1045 0.2985 146 SER G N 9628 C CA . SER G 145 ? 0.8293 0.6093 0.9408 0.0539 -0.1071 0.3067 146 SER G CA 9629 C C . SER G 145 ? 0.9331 0.6006 1.0197 0.0678 -0.0994 0.3297 146 SER G C 9630 O O . SER G 145 ? 0.9651 0.6132 1.0458 0.1138 -0.0990 0.3419 146 SER G O 9631 C CB . SER G 145 ? 0.8098 0.6715 0.9178 0.0763 -0.1105 0.3306 146 SER G CB 9632 O OG . SER G 145 ? 0.7264 0.6774 0.8543 0.0710 -0.1146 0.2994 146 SER G OG 9633 N N . GLN G 146 ? 0.9926 0.5872 1.0670 0.0278 -0.0913 0.3346 147 GLN G N 9634 C CA . GLN G 146 ? 1.1066 0.5726 1.1526 0.0327 -0.0789 0.3489 147 GLN G CA 9635 C C . GLN G 146 ? 1.1174 0.5216 1.1605 0.0265 -0.0788 0.3021 147 GLN G C 9636 O O . GLN G 146 ? 1.2193 0.5062 1.2356 0.0199 -0.0659 0.2998 147 GLN G O 9637 C CB . GLN G 146 ? 1.1847 0.5953 1.2136 -0.0152 -0.0667 0.3776 147 GLN G CB 9638 N N . THR G 147 ? 1.0214 0.5003 1.0866 0.0280 -0.0909 0.2648 148 THR G N 9639 C CA . THR G 147 ? 1.0240 0.4627 1.0816 0.0226 -0.0922 0.2202 148 THR G CA 9640 C C . THR G 147 ? 0.9909 0.4529 1.0548 0.0760 -0.0903 0.2065 148 THR G C 9641 O O . THR G 147 ? 0.9092 0.4672 0.9978 0.0952 -0.0976 0.2083 148 THR G O 9642 C CB . THR G 147 ? 0.9525 0.4573 1.0277 -0.0192 -0.1066 0.1908 148 THR G CB 9643 O OG1 . THR G 147 ? 0.9731 0.4834 1.0548 -0.0683 -0.1082 0.2056 148 THR G OG1 9644 C CG2 . THR G 147 ? 0.9758 0.4340 1.0313 -0.0306 -0.1095 0.1484 148 THR G CG2 9645 N N . ASN G 148 ? 1.0625 0.4361 1.1041 0.0973 -0.0775 0.1903 149 ASN G N 9646 C CA . ASN G 148 ? 1.0407 0.4360 1.0913 0.1463 -0.0711 0.1742 149 ASN G CA 9647 C C . ASN G 148 ? 1.0404 0.4089 1.0730 0.1309 -0.0680 0.1256 149 ASN G C 9648 O O . ASN G 148 ? 1.1300 0.3971 1.1277 0.1168 -0.0572 0.1057 149 ASN G O 9649 C CB . ASN G 148 ? 1.1308 0.4573 1.1736 0.1994 -0.0537 0.1994 149 ASN G CB 9650 C CG . ASN G 148 ? 1.1306 0.5019 1.1884 0.2244 -0.0596 0.2528 149 ASN G CG 9651 O OD1 . ASN G 148 ? 1.0502 0.5205 1.1269 0.2078 -0.0755 0.2646 149 ASN G OD1 9652 N ND2 . ASN G 148 ? 1.2248 0.5205 1.2699 0.2670 -0.0454 0.2860 149 ASN G ND2 9653 N N . VAL G 149 ? 0.9497 0.4055 1.0008 0.1312 -0.0762 0.1066 150 VAL G N 9654 C CA . VAL G 149 ? 0.9484 0.3909 0.9782 0.1198 -0.0734 0.0657 150 VAL G CA 9655 C C . VAL G 149 ? 0.9952 0.4014 1.0170 0.1657 -0.0510 0.0509 150 VAL G C 9656 O O . VAL G 149 ? 0.9564 0.4241 1.0107 0.2056 -0.0451 0.0636 150 VAL G O 9657 C CB . VAL G 149 ? 0.8485 0.3886 0.8982 0.1067 -0.0856 0.0561 150 VAL G CB 9658 C CG1 . VAL G 149 ? 0.8586 0.3804 0.8771 0.0930 -0.0837 0.0205 150 VAL G CG1 9659 C CG2 . VAL G 149 ? 0.8030 0.3888 0.8692 0.0715 -0.1035 0.0732 150 VAL G CG2 9660 N N . SER G 150 ? 1.0845 0.3956 1.0637 0.1585 -0.0375 0.0219 151 SER G N 9661 C CA . SER G 150 ? 1.1476 0.4115 1.1154 0.2039 -0.0098 0.0045 151 SER G CA 9662 C C . SER G 150 ? 1.1121 0.4211 1.0708 0.2065 -0.0019 -0.0292 151 SER G C 9663 O O . SER G 150 ? 1.0702 0.4102 1.0114 0.1670 -0.0173 -0.0449 151 SER G O 9664 C CB . SER G 150 ? 1.2833 0.4062 1.2027 0.1972 0.0080 -0.0128 151 SER G CB 9665 O OG . SER G 150 ? 1.3349 0.4041 1.2624 0.2055 0.0093 0.0242 151 SER G OG 9666 N N . GLN G 151 ? 1.1372 0.4512 1.1082 0.2555 0.0238 -0.0371 152 GLN G N 9667 C CA . GLN G 151 ? 1.1152 0.4723 1.0788 0.2620 0.0392 -0.0665 152 GLN G CA 9668 C C . GLN G 151 ? 1.1809 0.4675 1.0753 0.2264 0.0444 -0.1075 152 GLN G C 9669 O O . GLN G 151 ? 1.2646 0.4552 1.1165 0.2037 0.0427 -0.1207 152 GLN G O 9670 C CB . GLN G 151 ? 1.1436 0.5172 1.1375 0.3232 0.0704 -0.0675 152 GLN G CB 9671 N N . SER G 152 ? 1.1506 0.4865 1.0307 0.2188 0.0512 -0.1272 153 SER G N 9672 C CA . SER G 152 ? 1.2028 0.4978 1.0131 0.1821 0.0503 -0.1615 153 SER G CA 9673 C C . SER G 152 ? 1.3367 0.5142 1.0858 0.1814 0.0712 -0.1981 153 SER G C 9674 O O . SER G 152 ? 1.3978 0.5308 1.1535 0.2260 0.1044 -0.2072 153 SER G O 9675 C CB . SER G 152 ? 1.1671 0.5266 0.9706 0.1875 0.0656 -0.1725 153 SER G CB 9676 O OG . SER G 152 ? 1.2237 0.5509 0.9534 0.1533 0.0621 -0.2003 153 SER G OG 9677 N N . LYS G 153 ? 1.3872 0.5181 1.0772 0.1305 0.0520 -0.2201 154 LYS G N 9678 C CA . LYS G 153 ? 1.5270 0.5410 1.1464 0.1143 0.0689 -0.2630 154 LYS G CA 9679 C C . LYS G 153 ? 1.5945 0.5885 1.1561 0.1278 0.1017 -0.3046 154 LYS G C 9680 O O . LYS G 153 ? 1.7169 0.6107 1.2311 0.1387 0.1333 -0.3419 154 LYS G O 9681 C CB . LYS G 153 ? 1.5571 0.5484 1.1353 0.0468 0.0330 -0.2744 154 LYS G CB 9682 N N . ASP G 154 ? 1.5227 0.6068 1.0852 0.1267 0.0975 -0.2979 155 ASP G N 9683 C CA . ASP G 154 ? 1.5793 0.6601 1.0839 0.1346 0.1285 -0.3320 155 ASP G CA 9684 C C . ASP G 154 ? 1.4867 0.6660 1.0444 0.1692 0.1467 -0.3082 155 ASP G C 9685 O O . ASP G 154 ? 1.3739 0.6310 0.9967 0.1707 0.1247 -0.2687 155 ASP G O 9686 C CB . ASP G 154 ? 1.6195 0.7009 1.0419 0.0792 0.1020 -0.3527 155 ASP G CB 9687 C CG . ASP G 154 ? 1.6985 0.7725 1.0449 0.0823 0.1340 -0.3879 155 ASP G CG 9688 O OD1 . ASP G 154 ? 1.7953 0.8003 1.1120 0.1084 0.1775 -0.4247 155 ASP G OD1 9689 O OD2 . ASP G 154 ? 1.6741 0.8093 0.9878 0.0605 0.1177 -0.3772 155 ASP G OD2 9690 N N . SER G 155 ? 1.5409 0.7159 1.0693 0.1935 0.1897 -0.3352 156 SER G N 9691 C CA . SER G 155 ? 1.4702 0.7380 1.0448 0.2197 0.2138 -0.3185 156 SER G CA 9692 C C . SER G 155 ? 1.3935 0.7331 0.9587 0.1843 0.1887 -0.2942 156 SER G C 9693 O O . SER G 155 ? 1.3028 0.7233 0.9314 0.1943 0.1908 -0.2655 156 SER G O 9694 C CB . SER G 155 ? 1.5623 0.8083 1.0959 0.2459 0.2683 -0.3565 156 SER G CB 9695 O OG . SER G 155 ? 1.6450 0.8176 1.1886 0.2866 0.2970 -0.3786 156 SER G OG 9696 N N . ASP G 156 ? 1.4384 0.7469 0.9234 0.1430 0.1652 -0.3059 157 ASP G N 9697 C CA . ASP G 156 ? 1.3896 0.7538 0.8530 0.1144 0.1426 -0.2808 157 ASP G CA 9698 C C . ASP G 156 ? 1.3001 0.6969 0.8109 0.0955 0.0941 -0.2444 157 ASP G C 9699 O O . ASP G 156 ? 1.2596 0.7000 0.7625 0.0779 0.0740 -0.2185 157 ASP G O 9700 C CB . ASP G 156 ? 1.4918 0.8208 0.8428 0.0839 0.1396 -0.3069 157 ASP G CB 9701 C CG . ASP G 156 ? 1.5911 0.8872 0.8859 0.1011 0.1924 -0.3464 157 ASP G CG 9702 O OD1 . ASP G 156 ? 1.7028 0.9307 0.9159 0.0857 0.1969 -0.3880 157 ASP G OD1 9703 O OD2 . ASP G 156 ? 1.5625 0.9030 0.8944 0.1277 0.2312 -0.3385 157 ASP G OD2 9704 N N . VAL G 157 ? 1.2768 0.6497 0.8353 0.1017 0.0789 -0.2409 158 VAL G N 9705 C CA . VAL G 157 ? 1.1933 0.6001 0.8030 0.0867 0.0392 -0.2078 158 VAL G CA 9706 C C . VAL G 157 ? 1.1028 0.5594 0.8025 0.1169 0.0487 -0.1816 158 VAL G C 9707 O O . VAL G 157 ? 1.1178 0.5651 0.8459 0.1498 0.0772 -0.1908 158 VAL G O 9708 C CB . VAL G 157 ? 1.2408 0.5893 0.8340 0.0623 0.0130 -0.2198 158 VAL G CB 9709 C CG1 . VAL G 157 ? 1.1561 0.5463 0.8092 0.0492 -0.0218 -0.1849 158 VAL G CG1 9710 C CG2 . VAL G 157 ? 1.3309 0.6467 0.8347 0.0241 -0.0025 -0.2477 158 VAL G CG2 9711 N N . TYR G 158 ? 1.0155 0.5287 0.7585 0.1071 0.0255 -0.1500 159 TYR G N 9712 C CA . TYR G 158 ? 0.9331 0.5016 0.7539 0.1281 0.0312 -0.1278 159 TYR G CA 9713 C C . TYR G 158 ? 0.8794 0.4629 0.7407 0.1173 -0.0006 -0.1037 159 TYR G C 9714 O O . TYR G 158 ? 0.8593 0.4545 0.7094 0.0927 -0.0258 -0.0917 159 TYR G O 9715 C CB . TYR G 158 ? 0.8861 0.5128 0.7208 0.1266 0.0462 -0.1169 159 TYR G CB 9716 C CG . TYR G 158 ? 0.9391 0.5595 0.7350 0.1339 0.0822 -0.1374 159 TYR G CG 9717 C CD1 . TYR G 158 ? 0.9417 0.5898 0.7756 0.1614 0.1158 -0.1483 159 TYR G CD1 9718 C CD2 . TYR G 158 ? 0.9949 0.5898 0.7164 0.1144 0.0832 -0.1439 159 TYR G CD2 9719 C CE1 . TYR G 158 ? 0.9932 0.6423 0.7944 0.1675 0.1538 -0.1679 159 TYR G CE1 9720 C CE2 . TYR G 158 ? 1.0525 0.6420 0.7316 0.1193 0.1200 -0.1619 159 TYR G CE2 9721 C CZ . TYR G 158 ? 1.0484 0.6645 0.7691 0.1450 0.1572 -0.1750 159 TYR G CZ 9722 O OH . TYR G 158 ? 1.1059 0.7234 0.7881 0.1492 0.1981 -0.1934 159 TYR G OH 9723 N N . ILE G 159 ? 0.8626 0.4493 0.7705 0.1384 0.0017 -0.0947 160 ILE G N 9724 C CA . ILE G 159 ? 0.8204 0.4216 0.7646 0.1297 -0.0234 -0.0705 160 ILE G CA 9725 C C . ILE G 159 ? 0.7630 0.4256 0.7688 0.1543 -0.0167 -0.0520 160 ILE G C 9726 O O . ILE G 159 ? 0.7861 0.4482 0.8117 0.1861 0.0005 -0.0540 160 ILE G O 9727 C CB . ILE G 159 ? 0.8853 0.4127 0.8099 0.1233 -0.0322 -0.0746 160 ILE G CB 9728 C CG1 . ILE G 159 ? 0.9500 0.4248 0.8109 0.0905 -0.0421 -0.0985 160 ILE G CG1 9729 C CG2 . ILE G 159 ? 0.8439 0.3915 0.8059 0.1123 -0.0540 -0.0461 160 ILE G CG2 9730 C CD1 . ILE G 159 ? 1.0374 0.4247 0.8689 0.0775 -0.0433 -0.1132 160 ILE G CD1 9731 N N . THR G 160 ? 0.6974 0.4161 0.7324 0.1405 -0.0302 -0.0348 161 THR G N 9732 C CA . THR G 160 ? 0.6461 0.4321 0.7334 0.1548 -0.0278 -0.0205 161 THR G CA 9733 C C . THR G 160 ? 0.6541 0.4320 0.7605 0.1639 -0.0427 0.0006 161 THR G C 9734 O O . THR G 160 ? 0.6888 0.4114 0.7719 0.1503 -0.0549 0.0051 161 THR G O 9735 C CB . THR G 160 ? 0.5862 0.4243 0.6893 0.1336 -0.0325 -0.0149 161 THR G CB 9736 O OG1 . THR G 160 ? 0.5699 0.3957 0.6668 0.1143 -0.0539 -0.0018 161 THR G OG1 9737 C CG2 . THR G 160 ? 0.5923 0.4259 0.6696 0.1231 -0.0160 -0.0294 161 THR G CG2 9738 N N . ASP G 161 ? 0.6305 0.4667 0.7774 0.1840 -0.0417 0.0147 162 ASP G N 9739 C CA . ASP G 161 ? 0.6421 0.4787 0.8030 0.1928 -0.0559 0.0416 162 ASP G CA 9740 C C . ASP G 161 ? 0.5966 0.4654 0.7626 0.1627 -0.0721 0.0528 162 ASP G C 9741 O O . ASP G 161 ? 0.5528 0.4650 0.7265 0.1458 -0.0700 0.0418 162 ASP G O 9742 C CB . ASP G 161 ? 0.6400 0.5379 0.8389 0.2285 -0.0521 0.0560 162 ASP G CB 9743 C CG . ASP G 161 ? 0.6964 0.5603 0.8950 0.2527 -0.0601 0.0876 162 ASP G CG 9744 O OD1 . ASP G 161 ? 0.7042 0.5459 0.8893 0.2313 -0.0739 0.1056 162 ASP G OD1 9745 O OD2 . ASP G 161 ? 0.7482 0.6071 0.9607 0.2953 -0.0501 0.0966 162 ASP G OD2 9746 N N . LYS G 162 ? 0.6190 0.4615 0.7795 0.1561 -0.0842 0.0747 163 LYS G N 9747 C CA . LYS G 162 ? 0.5826 0.4593 0.7500 0.1304 -0.0957 0.0863 163 LYS G CA 9748 C C . LYS G 162 ? 0.5376 0.4991 0.7306 0.1354 -0.0956 0.0904 163 LYS G C 9749 O O . LYS G 162 ? 0.5448 0.5418 0.7528 0.1599 -0.0955 0.1007 163 LYS G O 9750 C CB . LYS G 162 ? 0.6222 0.4580 0.7794 0.1208 -0.1043 0.1112 163 LYS G CB 9751 C CG . LYS G 162 ? 0.6599 0.4933 0.8218 0.1487 -0.1038 0.1399 163 LYS G CG 9752 C CD . LYS G 162 ? 0.6883 0.5073 0.8423 0.1304 -0.1104 0.1696 163 LYS G CD 9753 C CE . LYS G 162 ? 0.7424 0.5538 0.8939 0.1616 -0.1099 0.2059 163 LYS G CE 9754 N NZ . LYS G 162 ? 0.7841 0.5790 0.9221 0.1405 -0.1125 0.2385 163 LYS G NZ 9755 N N . CYS G 163 ? 0.4971 0.4923 0.6945 0.1127 -0.0953 0.0810 164 CYS G N 9756 C CA . CYS G 163 ? 0.4683 0.5363 0.6819 0.1083 -0.0940 0.0793 164 CYS G CA 9757 C C . CYS G 163 ? 0.4464 0.5254 0.6570 0.0858 -0.0951 0.0825 164 CYS G C 9758 O O . CYS G 163 ? 0.4491 0.4913 0.6533 0.0746 -0.0960 0.0819 164 CYS G O 9759 C CB . CYS G 163 ? 0.4483 0.5502 0.6733 0.1064 -0.0813 0.0529 164 CYS G CB 9760 S SG . CYS G 163 ? 0.4528 0.5376 0.6693 0.0818 -0.0675 0.0309 164 CYS G SG 9761 N N . VAL G 164 ? 0.4303 0.5664 0.6456 0.0801 -0.0949 0.0852 165 VAL G N 9762 C CA . VAL G 164 ? 0.4199 0.5707 0.6317 0.0629 -0.0921 0.0901 165 VAL G CA 9763 C C . VAL G 164 ? 0.3989 0.5842 0.6133 0.0491 -0.0770 0.0630 165 VAL G C 9764 O O . VAL G 164 ? 0.3963 0.6256 0.6114 0.0455 -0.0737 0.0473 165 VAL G O 9765 C CB . VAL G 164 ? 0.4439 0.6184 0.6465 0.0648 -0.1007 0.1200 165 VAL G CB 9766 C CG1 . VAL G 164 ? 0.4502 0.6846 0.6506 0.0764 -0.1069 0.1230 165 VAL G CG1 9767 C CG2 . VAL G 164 ? 0.4409 0.6350 0.6400 0.0460 -0.0929 0.1245 165 VAL G CG2 9768 N N . LEU G 165 ? 0.3905 0.5557 0.6077 0.0412 -0.0672 0.0570 166 LEU G N 9769 C CA . LEU G 165 ? 0.3862 0.5656 0.6032 0.0316 -0.0471 0.0326 166 LEU G CA 9770 C C . LEU G 165 ? 0.3936 0.6070 0.6076 0.0238 -0.0395 0.0372 166 LEU G C 9771 O O . LEU G 165 ? 0.3971 0.6159 0.6139 0.0242 -0.0486 0.0626 166 LEU G O 9772 C CB . LEU G 165 ? 0.3848 0.5184 0.6068 0.0365 -0.0368 0.0249 166 LEU G CB 9773 C CG . LEU G 165 ? 0.3828 0.4967 0.6152 0.0433 -0.0445 0.0443 166 LEU G CG 9774 C CD1 . LEU G 165 ? 0.3860 0.5255 0.6313 0.0430 -0.0306 0.0454 166 LEU G CD1 9775 C CD2 . LEU G 165 ? 0.3884 0.4598 0.6168 0.0521 -0.0437 0.0415 166 LEU G CD2 9776 N N . ASP G 166 ? 0.4048 0.6376 0.6105 0.0137 -0.0195 0.0105 167 ASP G N 9777 C CA . ASP G 166 ? 0.4204 0.6885 0.6166 0.0057 -0.0065 0.0080 167 ASP G CA 9778 C C . ASP G 166 ? 0.4370 0.6828 0.6363 0.0065 0.0238 -0.0180 167 ASP G C 9779 O O . ASP G 166 ? 0.4578 0.6900 0.6446 -0.0033 0.0410 -0.0505 167 ASP G O 9780 C CB . ASP G 166 ? 0.4377 0.7607 0.6088 -0.0085 -0.0115 -0.0013 167 ASP G CB 9781 C CG . ASP G 166 ? 0.4655 0.8305 0.6167 -0.0170 -0.0021 0.0043 167 ASP G CG 9782 O OD1 . ASP G 166 ? 0.4723 0.8266 0.6335 -0.0132 0.0155 0.0077 167 ASP G OD1 9783 O OD2 . ASP G 166 ? 0.4906 0.9071 0.6157 -0.0266 -0.0123 0.0068 167 ASP G OD2 9784 N N . MET G 167 ? 0.4340 0.6761 0.6524 0.0185 0.0318 -0.0031 168 MET G N 9785 C CA . MET G 167 ? 0.4570 0.6805 0.6833 0.0292 0.0632 -0.0220 168 MET G CA 9786 C C . MET G 167 ? 0.4887 0.7516 0.6960 0.0182 0.0863 -0.0403 168 MET G C 9787 O O . MET G 167 ? 0.4902 0.7868 0.7109 0.0237 0.0944 -0.0252 168 MET G O 9788 C CB . MET G 167 ? 0.4429 0.6606 0.7053 0.0510 0.0597 0.0038 168 MET G CB 9789 C CG . MET G 167 ? 0.4210 0.5994 0.6921 0.0604 0.0381 0.0182 168 MET G CG 9790 S SD . MET G 167 ? 0.4159 0.6066 0.7268 0.0806 0.0249 0.0491 168 MET G SD 9791 C CE . MET G 167 ? 0.4436 0.6232 0.7718 0.1114 0.0626 0.0377 168 MET G CE 9792 N N . ARG G 168 ? 0.5193 0.7820 0.6938 -0.0009 0.0978 -0.0749 169 ARG G N 9793 C CA . ARG G 168 ? 0.5588 0.8669 0.6995 -0.0197 0.1132 -0.0964 169 ARG G CA 9794 C C . ARG G 168 ? 0.5931 0.9064 0.7374 -0.0081 0.1494 -0.1062 169 ARG G C 9795 O O . ARG G 168 ? 0.6061 0.9717 0.7345 -0.0161 0.1540 -0.0987 169 ARG G O 9796 C CB . ARG G 168 ? 0.5952 0.8993 0.7014 -0.0468 0.1214 -0.1407 169 ARG G CB 9797 C CG . ARG G 168 ? 0.5665 0.8865 0.6750 -0.0577 0.0877 -0.1319 169 ARG G CG 9798 C CD . ARG G 168 ? 0.6147 0.9527 0.6947 -0.0914 0.0942 -0.1769 169 ARG G CD 9799 N NE . ARG G 168 ? 0.6027 0.9390 0.7007 -0.0970 0.0737 -0.1740 169 ARG G NE 9800 C CZ . ARG G 168 ? 0.5776 0.9727 0.6828 -0.0961 0.0389 -0.1506 169 ARG G CZ 9801 N NH1 . ARG G 168 ? 0.5713 1.0259 0.6626 -0.0901 0.0181 -0.1238 169 ARG G NH1 9802 N NH2 . ARG G 168 ? 0.5605 0.9540 0.6867 -0.0987 0.0274 -0.1519 169 ARG G NH2 9803 N N . SER G 169 ? 0.6152 0.8752 0.7801 0.0135 0.1768 -0.1199 170 SER G N 9804 C CA . SER G 169 ? 0.6562 0.9181 0.8322 0.0336 0.2168 -0.1309 170 SER G CA 9805 C C . SER G 169 ? 0.6247 0.9456 0.8389 0.0485 0.2087 -0.0905 170 SER G C 9806 O O . SER G 169 ? 0.6553 1.0114 0.8717 0.0551 0.2393 -0.0978 170 SER G O 9807 C CB . SER G 169 ? 0.6882 0.8748 0.8836 0.0628 0.2447 -0.1441 170 SER G CB 9808 N N . MET G 170 ? 0.5713 0.9028 0.8140 0.0505 0.1703 -0.0507 171 MET G N 9809 C CA . MET G 170 ? 0.5456 0.9302 0.8268 0.0553 0.1592 -0.0125 171 MET G CA 9810 C C . MET G 170 ? 0.5297 0.9548 0.7878 0.0265 0.1356 0.0107 171 MET G C 9811 O O . MET G 170 ? 0.5167 0.9819 0.8006 0.0211 0.1289 0.0422 171 MET G O 9812 C CB . MET G 170 ? 0.5113 0.8777 0.8367 0.0728 0.1335 0.0148 171 MET G CB 9813 C CG . MET G 170 ? 0.5411 0.9041 0.9095 0.1096 0.1559 0.0148 171 MET G CG 9814 S SD . MET G 170 ? 0.5377 0.8896 0.9459 0.1258 0.1177 0.0484 171 MET G SD 9815 C CE . MET G 170 ? 0.5484 0.9572 1.0231 0.1666 0.1406 0.0635 171 MET G CE 9816 N N . ASP G 171 ? 0.5379 0.9541 0.7484 0.0079 0.1240 -0.0029 172 ASP G N 9817 C CA . ASP G 171 ? 0.5308 0.9749 0.7157 -0.0117 0.0973 0.0250 172 ASP G CA 9818 C C . ASP G 171 ? 0.4919 0.9201 0.7099 -0.0092 0.0675 0.0647 172 ASP G C 9819 O O . ASP G 171 ? 0.4963 0.9509 0.7245 -0.0192 0.0647 0.0959 172 ASP G O 9820 C CB . ASP G 171 ? 0.5701 1.0707 0.7277 -0.0258 0.1175 0.0319 172 ASP G CB 9821 C CG . ASP G 171 ? 0.5906 1.1153 0.7045 -0.0434 0.0931 0.0585 172 ASP G CG 9822 O OD1 . ASP G 171 ? 0.5758 1.0745 0.6914 -0.0410 0.0603 0.0770 172 ASP G OD1 9823 O OD2 . ASP G 171 ? 0.6358 1.2061 0.7115 -0.0568 0.1084 0.0628 172 ASP G OD2 9824 N N . PHE G 172 ? 0.4616 0.8437 0.6929 0.0006 0.0483 0.0608 173 PHE G N 9825 C CA . PHE G 172 ? 0.4340 0.7924 0.6912 0.0020 0.0221 0.0890 173 PHE G CA 9826 C C . PHE G 172 ? 0.4195 0.7352 0.6617 0.0050 -0.0024 0.0873 173 PHE G C 9827 O O . PHE G 172 ? 0.4128 0.7048 0.6495 0.0129 0.0018 0.0617 173 PHE G O 9828 C CB . PHE G 172 ? 0.4193 0.7743 0.7205 0.0167 0.0283 0.0886 173 PHE G CB 9829 C CG . PHE G 172 ? 0.4045 0.7423 0.7281 0.0121 0.0005 0.1122 173 PHE G CG 9830 C CD1 . PHE G 172 ? 0.4106 0.7775 0.7529 -0.0072 -0.0061 0.1386 173 PHE G CD1 9831 C CD2 . PHE G 172 ? 0.3927 0.6840 0.7146 0.0225 -0.0166 0.1059 173 PHE G CD2 9832 C CE1 . PHE G 172 ? 0.4080 0.7553 0.7663 -0.0187 -0.0311 0.1543 173 PHE G CE1 9833 C CE2 . PHE G 172 ? 0.3886 0.6630 0.7227 0.0148 -0.0417 0.1223 173 PHE G CE2 9834 C CZ . PHE G 172 ? 0.3991 0.7003 0.7511 -0.0071 -0.0496 0.1444 173 PHE G CZ 9835 N N . LYS G 173 ? 0.4211 0.7240 0.6571 -0.0016 -0.0243 0.1148 174 LYS G N 9836 C CA . LYS G 173 ? 0.4149 0.6802 0.6398 0.0054 -0.0449 0.1160 174 LYS G CA 9837 C C . LYS G 173 ? 0.4119 0.6343 0.6530 0.0047 -0.0614 0.1318 174 LYS G C 9838 O O . LYS G 173 ? 0.4251 0.6514 0.6784 -0.0088 -0.0632 0.1520 174 LYS G O 9839 C CB . LYS G 173 ? 0.4384 0.7205 0.6347 0.0042 -0.0548 0.1335 174 LYS G CB 9840 C CG . LYS G 173 ? 0.4478 0.7803 0.6203 0.0007 -0.0446 0.1137 174 LYS G CG 9841 C CD . LYS G 173 ? 0.4797 0.8423 0.6227 0.0019 -0.0583 0.1407 174 LYS G CD 9842 C CE . LYS G 173 ? 0.4897 0.9109 0.6068 -0.0036 -0.0563 0.1164 174 LYS G CE 9843 N NZ . LYS G 173 ? 0.5052 0.9636 0.6018 -0.0206 -0.0326 0.0984 174 LYS G NZ 9844 N N . SER G 174 ? 0.4022 0.5860 0.6412 0.0151 -0.0715 0.1201 175 SER G N 9845 C CA . SER G 174 ? 0.4089 0.5486 0.6532 0.0126 -0.0867 0.1282 175 SER G CA 9846 C C . SER G 174 ? 0.4176 0.5153 0.6450 0.0248 -0.0962 0.1223 175 SER G C 9847 O O . SER G 174 ? 0.4031 0.5060 0.6263 0.0361 -0.0904 0.1035 175 SER G O 9848 C CB . SER G 174 ? 0.3942 0.5359 0.6587 0.0138 -0.0857 0.1180 175 SER G CB 9849 O OG . SER G 174 ? 0.3796 0.5030 0.6366 0.0290 -0.0802 0.0977 175 SER G OG 9850 N N . ASN G 175 ? 0.4498 0.5047 0.6680 0.0208 -0.1074 0.1371 176 ASN G N 9851 C CA . ASN G 175 ? 0.4677 0.4747 0.6712 0.0348 -0.1130 0.1300 176 ASN G CA 9852 C C . ASN G 175 ? 0.4631 0.4439 0.6642 0.0320 -0.1165 0.1108 176 ASN G C 9853 O O . ASN G 175 ? 0.4561 0.4482 0.6675 0.0174 -0.1210 0.1111 176 ASN G O 9854 C CB . ASN G 175 ? 0.5202 0.4761 0.7097 0.0322 -0.1188 0.1511 176 ASN G CB 9855 C CG . ASN G 175 ? 0.5389 0.5118 0.7217 0.0469 -0.1165 0.1753 176 ASN G CG 9856 O OD1 . ASN G 175 ? 0.5204 0.5395 0.7065 0.0643 -0.1147 0.1699 176 ASN G OD1 9857 N ND2 . ASN G 175 ? 0.5875 0.5236 0.7585 0.0381 -0.1170 0.2034 176 ASN G ND2 9858 N N . SER G 176 ? 0.4706 0.4243 0.6585 0.0471 -0.1142 0.0960 177 SER G N 9859 C CA . SER G 176 ? 0.4807 0.4063 0.6551 0.0448 -0.1168 0.0799 177 SER G CA 9860 C C . SER G 176 ? 0.5072 0.3919 0.6608 0.0598 -0.1117 0.0668 177 SER G C 9861 O O . SER G 176 ? 0.5018 0.4030 0.6627 0.0774 -0.1022 0.0643 177 SER G O 9862 C CB . SER G 176 ? 0.4485 0.4059 0.6314 0.0478 -0.1085 0.0707 177 SER G CB 9863 O OG . SER G 176 ? 0.4368 0.4120 0.6228 0.0592 -0.0939 0.0598 177 SER G OG 9864 N N . ALA G 177 ? 0.5434 0.3824 0.6716 0.0519 -0.1177 0.0568 178 ALA G N 9865 C CA . ALA G 177 ? 0.5750 0.3747 0.6778 0.0656 -0.1082 0.0392 178 ALA G CA 9866 C C . ALA G 177 ? 0.5879 0.3760 0.6629 0.0552 -0.1120 0.0258 178 ALA G C 9867 O O . ALA G 177 ? 0.5963 0.3893 0.6667 0.0357 -0.1286 0.0304 178 ALA G O 9868 C CB . ALA G 177 ? 0.6358 0.3744 0.7211 0.0684 -0.1082 0.0383 178 ALA G CB 9869 N N . VAL G 178 ? 0.5945 0.3750 0.6520 0.0682 -0.0966 0.0117 179 VAL G N 9870 C CA . VAL G 178 ? 0.6137 0.3840 0.6368 0.0615 -0.0974 0.0036 179 VAL G CA 9871 C C . VAL G 178 ? 0.6757 0.3955 0.6540 0.0641 -0.0891 -0.0174 179 VAL G C 9872 O O . VAL G 178 ? 0.6875 0.3936 0.6703 0.0820 -0.0703 -0.0274 179 VAL G O 9873 C CB . VAL G 178 ? 0.5815 0.3817 0.6136 0.0699 -0.0804 0.0062 179 VAL G CB 9874 C CG1 . VAL G 178 ? 0.6081 0.3956 0.6015 0.0653 -0.0828 0.0083 179 VAL G CG1 9875 C CG2 . VAL G 178 ? 0.5305 0.3730 0.6041 0.0691 -0.0817 0.0199 179 VAL G CG2 9876 N N . ALA G 179 ? 0.7202 0.4182 0.6554 0.0472 -0.1030 -0.0248 180 ALA G N 9877 C CA . ALA G 179 ? 0.7915 0.4404 0.6716 0.0457 -0.0936 -0.0495 180 ALA G CA 9878 C C . ALA G 179 ? 0.8180 0.4750 0.6511 0.0391 -0.0966 -0.0503 180 ALA G C 9879 O O . ALA G 179 ? 0.8048 0.4936 0.6393 0.0286 -0.1188 -0.0326 180 ALA G O 9880 C CB . ALA G 179 ? 0.8505 0.4511 0.7075 0.0253 -0.1080 -0.0642 180 ALA G CB 9881 N N . TRP G 180 ? 0.8614 0.4927 0.6532 0.0482 -0.0724 -0.0679 181 TRP G N 9882 C CA . TRP G 180 ? 0.9066 0.5369 0.6388 0.0419 -0.0718 -0.0679 181 TRP G CA 9883 C C . TRP G 180 ? 0.9865 0.5718 0.6578 0.0431 -0.0486 -0.0991 181 TRP G C 9884 O O . TRP G 180 ? 0.9940 0.5550 0.6817 0.0581 -0.0247 -0.1179 181 TRP G O 9885 C CB . TRP G 180 ? 0.8658 0.5278 0.6157 0.0541 -0.0555 -0.0444 181 TRP G CB 9886 C CG . TRP G 180 ? 0.8518 0.5135 0.6175 0.0685 -0.0164 -0.0546 181 TRP G CG 9887 C CD1 . TRP G 180 ? 0.8980 0.5459 0.6191 0.0709 0.0127 -0.0645 181 TRP G CD1 9888 C CD2 . TRP G 180 ? 0.7911 0.4785 0.6233 0.0804 -0.0025 -0.0552 181 TRP G CD2 9889 N NE1 . TRP G 180 ? 0.8696 0.5378 0.6329 0.0824 0.0450 -0.0724 181 TRP G NE1 9890 C CE2 . TRP G 180 ? 0.8036 0.4991 0.6351 0.0889 0.0338 -0.0669 181 TRP G CE2 9891 C CE3 . TRP G 180 ? 0.7334 0.4445 0.6238 0.0836 -0.0173 -0.0462 181 TRP G CE3 9892 C CZ2 . TRP G 180 ? 0.7578 0.4928 0.6500 0.1001 0.0518 -0.0705 181 TRP G CZ2 9893 C CZ3 . TRP G 180 ? 0.6911 0.4350 0.6328 0.0961 0.0000 -0.0486 181 TRP G CZ3 9894 C CH2 . TRP G 180 ? 0.7034 0.4630 0.6481 0.1041 0.0324 -0.0610 181 TRP G CH2 9895 N N . SER G 181 ? 1.0524 0.6301 0.6522 0.0303 -0.0552 -0.1032 182 SER G N 9896 C CA . SER G 181 ? 1.1416 0.6784 0.6695 0.0288 -0.0312 -0.1347 182 SER G CA 9897 C C . SER G 181 ? 1.1922 0.7421 0.6504 0.0224 -0.0306 -0.1217 182 SER G C 9898 O O . SER G 181 ? 1.1691 0.7540 0.6313 0.0191 -0.0556 -0.0883 182 SER G O 9899 C CB . SER G 181 ? 1.2134 0.7024 0.7012 0.0077 -0.0469 -0.1689 182 SER G CB 9900 O OG . SER G 181 ? 1.3054 0.7474 0.7215 0.0082 -0.0181 -0.2057 182 SER G OG 9901 N N . ASN G 182 ? 1.2689 0.7904 0.6625 0.0241 0.0008 -0.1459 183 ASN G N 9902 C CA . ASN G 182 ? 1.3420 0.8677 0.6488 0.0150 0.0021 -0.1361 183 ASN G CA 9903 C C . ASN G 182 ? 1.4452 0.9445 0.6626 -0.0100 -0.0187 -0.1687 183 ASN G C 9904 O O . ASN G 182 ? 1.5071 1.0230 0.6498 -0.0235 -0.0384 -0.1558 183 ASN G O 9905 C CB . ASN G 182 ? 1.3653 0.8846 0.6524 0.0290 0.0553 -0.1389 183 ASN G CB 9906 N N . LYS G 183 ? 1.4731 0.9294 0.6960 -0.0168 -0.0145 -0.2103 184 LYS G N 9907 C CA . LYS G 183 ? 1.5858 1.0033 0.7233 -0.0468 -0.0289 -0.2527 184 LYS G CA 9908 C C . LYS G 183 ? 1.5891 1.0406 0.7207 -0.0798 -0.0883 -0.2417 184 LYS G C 9909 O O . LYS G 183 ? 1.5023 0.9861 0.7157 -0.0780 -0.1135 -0.2147 184 LYS G O 9910 C CB . LYS G 183 ? 1.6225 0.9693 0.7725 -0.0420 -0.0009 -0.2995 184 LYS G CB 9911 N N . SER G 184 ? 1.6956 1.1472 0.7293 -0.1111 -0.1097 -0.2642 185 SER G N 9912 C CA . SER G 184 ? 1.7184 1.2137 0.7392 -0.1492 -0.1680 -0.2617 185 SER G CA 9913 C C . SER G 184 ? 1.7251 1.1778 0.7842 -0.1777 -0.1784 -0.2976 185 SER G C 9914 O O . SER G 184 ? 1.7148 1.0992 0.8081 -0.1612 -0.1406 -0.3195 185 SER G O 9915 C CB . SER G 184 ? 1.8446 1.3541 0.7413 -0.1787 -0.1870 -0.2820 185 SER G CB 9916 N N . ASP G 185 ? 1.7490 1.2453 0.8033 -0.2201 -0.2291 -0.3007 186 ASP G N 9917 C CA . ASP G 185 ? 1.7609 1.2229 0.8526 -0.2571 -0.2426 -0.3295 186 ASP G CA 9918 C C . ASP G 185 ? 1.6449 1.0954 0.8504 -0.2273 -0.2261 -0.3006 186 ASP G C 9919 O O . ASP G 185 ? 1.6644 1.0439 0.8943 -0.2385 -0.2094 -0.3259 186 ASP G O 9920 C CB . ASP G 185 ? 1.8951 1.2511 0.9054 -0.2865 -0.2155 -0.3992 186 ASP G CB 9921 N N . PHE G 186 ? 1.5350 1.0520 0.8037 -0.1897 -0.2298 -0.2471 187 PHE G N 9922 C CA . PHE G 186 ? 1.4246 0.9441 0.7943 -0.1604 -0.2152 -0.2175 187 PHE G CA 9923 C C . PHE G 186 ? 1.3427 0.9542 0.7823 -0.1641 -0.2538 -0.1737 187 PHE G C 9924 O O . PHE G 186 ? 1.2910 0.9615 0.7476 -0.1366 -0.2603 -0.1345 187 PHE G O 9925 C CB . PHE G 186 ? 1.3732 0.8783 0.7596 -0.1102 -0.1726 -0.2007 187 PHE G CB 9926 C CG . PHE G 186 ? 1.2633 0.7793 0.7467 -0.0816 -0.1589 -0.1725 187 PHE G CG 9927 C CD1 . PHE G 186 ? 1.1694 0.7512 0.7065 -0.0607 -0.1675 -0.1284 187 PHE G CD1 9928 C CD2 . PHE G 186 ? 1.2600 0.7177 0.7761 -0.0745 -0.1364 -0.1897 187 PHE G CD2 9929 C CE1 . PHE G 186 ? 1.0798 0.6741 0.6979 -0.0388 -0.1551 -0.1073 187 PHE G CE1 9930 C CE2 . PHE G 186 ? 1.1691 0.6453 0.7675 -0.0491 -0.1270 -0.1623 187 PHE G CE2 9931 C CZ . PHE G 186 ? 1.0782 0.6254 0.7258 -0.0340 -0.1369 -0.1236 187 PHE G CZ 9932 N N . ALA G 187 ? 1.3413 0.9602 0.8201 -0.1983 -0.2756 -0.1810 188 ALA G N 9933 C CA . ALA G 187 ? 1.2652 0.9733 0.8203 -0.2024 -0.3068 -0.1430 188 ALA G CA 9934 C C . ALA G 187 ? 1.1871 0.8742 0.8235 -0.1858 -0.2854 -0.1272 188 ALA G C 9935 O O . ALA G 187 ? 1.2100 0.8136 0.8409 -0.1833 -0.2562 -0.1492 188 ALA G O 9936 C CB . ALA G 187 ? 1.3239 1.0783 0.8667 -0.2601 -0.3496 -0.1602 188 ALA G CB 9937 N N . CYS G 188 ? 1.1027 0.8664 0.8115 -0.1715 -0.2990 -0.0880 189 CYS G N 9938 C CA . CYS G 188 ? 1.0316 0.7887 0.8134 -0.1568 -0.2810 -0.0701 189 CYS G CA 9939 C C . CYS G 188 ? 1.0698 0.7880 0.8654 -0.1988 -0.2838 -0.0887 189 CYS G C 9940 O O . CYS G 188 ? 1.0518 0.7191 0.8748 -0.1872 -0.2591 -0.0854 189 CYS G O 9941 C CB . CYS G 188 ? 0.9468 0.7947 0.7954 -0.1346 -0.2927 -0.0288 189 CYS G CB 9942 S SG . CYS G 188 ? 0.9120 0.7721 0.7534 -0.0794 -0.2728 -0.0030 189 CYS G SG 9943 N N . ALA G 189 ? 1.1316 0.8746 0.9060 -0.2493 -0.3140 -0.1070 190 ALA G N 9944 C CA . ALA G 189 ? 1.2050 0.8842 0.9685 -0.2993 -0.3119 -0.1355 190 ALA G CA 9945 C C . ALA G 189 ? 1.2968 0.8593 0.9814 -0.2981 -0.2863 -0.1769 190 ALA G C 9946 O O . ALA G 189 ? 1.3420 0.9049 0.9634 -0.2947 -0.2917 -0.1965 190 ALA G O 9947 C CB . ALA G 189 ? 1.2520 1.0019 1.0163 -0.3605 -0.3524 -0.1471 190 ALA G CB 9948 N N . ASN G 190 ? 1.3306 0.7938 1.0172 -0.2970 -0.2560 -0.1877 191 ASN G N 9949 C CA . ASN G 190 ? 1.4157 0.7608 1.0386 -0.2821 -0.2224 -0.2237 191 ASN G CA 9950 C C . ASN G 190 ? 1.3575 0.6996 0.9818 -0.2153 -0.1944 -0.2105 191 ASN G C 9951 O O . ASN G 190 ? 1.4235 0.6895 0.9966 -0.1963 -0.1658 -0.2397 191 ASN G O 9952 C CB . ASN G 190 ? 1.5377 0.8466 1.0739 -0.3292 -0.2343 -0.2751 191 ASN G CB 9953 N N . ALA G 191 ? 1.2402 0.6658 0.9241 -0.1820 -0.2001 -0.1689 192 ALA G N 9954 C CA . ALA G 191 ? 1.1820 0.6115 0.8798 -0.1259 -0.1727 -0.1546 192 ALA G CA 9955 C C . ALA G 191 ? 1.1643 0.5455 0.9033 -0.0971 -0.1459 -0.1423 192 ALA G C 9956 O O . ALA G 191 ? 1.1730 0.5179 0.9052 -0.0581 -0.1159 -0.1490 192 ALA G O 9957 C CB . ALA G 191 ? 1.0810 0.6095 0.8201 -0.1064 -0.1872 -0.1190 192 ALA G CB 9958 N N . PHE G 192 ? 1.1435 0.5316 0.9259 -0.1158 -0.1566 -0.1219 193 PHE G N 9959 C CA . PHE G 192 ? 1.1335 0.4818 0.9519 -0.0896 -0.1355 -0.1021 193 PHE G CA 9960 C C . PHE G 192 ? 1.2487 0.4859 1.0366 -0.1128 -0.1228 -0.1207 193 PHE G C 9961 O O . PHE G 192 ? 1.2572 0.4655 1.0743 -0.1122 -0.1160 -0.0966 193 PHE G O 9962 C CB . PHE G 192 ? 1.0392 0.4660 0.9227 -0.0887 -0.1489 -0.0619 193 PHE G CB 9963 C CG . PHE G 192 ? 0.9369 0.4492 0.8515 -0.0568 -0.1502 -0.0440 193 PHE G CG 9964 C CD1 . PHE G 192 ? 0.8918 0.4765 0.8119 -0.0708 -0.1717 -0.0394 193 PHE G CD1 9965 C CD2 . PHE G 192 ? 0.8894 0.4096 0.8276 -0.0130 -0.1293 -0.0315 193 PHE G CD2 9966 C CE1 . PHE G 192 ? 0.8122 0.4579 0.7561 -0.0422 -0.1678 -0.0235 193 PHE G CE1 9967 C CE2 . PHE G 192 ? 0.8101 0.4013 0.7739 0.0082 -0.1277 -0.0198 193 PHE G CE2 9968 C CZ . PHE G 192 ? 0.7755 0.4205 0.7396 -0.0066 -0.1447 -0.0163 193 PHE G CZ 9969 N N . ASN G 193 ? 1.3492 0.5185 1.0723 -0.1345 -0.1172 -0.1637 194 ASN G N 9970 C CA . ASN G 193 ? 1.4807 0.5197 1.1634 -0.1497 -0.0949 -0.1895 194 ASN G CA 9971 C C . ASN G 193 ? 1.5058 0.4806 1.1917 -0.0846 -0.0562 -0.1847 194 ASN G C 9972 O O . ASN G 193 ? 1.4338 0.4688 1.1404 -0.0378 -0.0481 -0.1746 194 ASN G O 9973 C CB . ASN G 193 ? 1.5891 0.5776 1.1952 -0.1965 -0.1001 -0.2436 194 ASN G CB 9974 C CG . ASN G 193 ? 1.5869 0.6367 1.1933 -0.2667 -0.1402 -0.2487 194 ASN G CG 9975 O OD1 . ASN G 193 ? 1.5003 0.6344 1.1681 -0.2768 -0.1619 -0.2112 194 ASN G OD1 9976 N ND2 . ASN G 193 ? 1.6867 0.7017 1.2246 -0.3157 -0.1499 -0.2969 194 ASN G ND2 9977 N N . ASN G 194 ? 1.6161 0.4700 1.2832 -0.0819 -0.0312 -0.1909 195 ASN G N 9978 C CA . ASN G 194 ? 1.6393 0.4405 1.3262 -0.0134 0.0028 -0.1714 195 ASN G CA 9979 C C . ASN G 194 ? 1.5169 0.4138 1.2774 0.0201 -0.0091 -0.1143 195 ASN G C 9980 O O . ASN G 194 ? 1.4616 0.4059 1.2550 0.0785 0.0032 -0.0967 195 ASN G O 9981 C CB . ASN G 194 ? 1.6615 0.4530 1.3225 0.0332 0.0299 -0.2018 195 ASN G CB 9982 N N . SER G 195 ? 1.4805 0.4112 1.2653 -0.0216 -0.0329 -0.0885 196 SER G N 9983 C CA . SER G 195 ? 1.3762 0.3967 1.2211 -0.0032 -0.0459 -0.0383 196 SER G CA 9984 C C . SER G 195 ? 1.3999 0.4072 1.2517 -0.0591 -0.0600 -0.0202 196 SER G C 9985 O O . SER G 195 ? 1.3885 0.4325 1.2335 -0.1148 -0.0819 -0.0388 196 SER G O 9986 C CB . SER G 195 ? 1.2425 0.3968 1.1186 0.0037 -0.0661 -0.0356 196 SER G CB 9987 O OG . SER G 195 ? 1.1480 0.3865 1.0761 0.0171 -0.0768 0.0057 196 SER G OG 9988 N N . ILE G 196 ? 1.4403 0.3997 1.3054 -0.0443 -0.0470 0.0180 197 ILE G N 9989 C CA . ILE G 196 ? 1.4757 0.4149 1.3460 -0.0987 -0.0535 0.0389 197 ILE G CA 9990 C C . ILE G 196 ? 1.3478 0.4285 1.2671 -0.1184 -0.0796 0.0625 197 ILE G C 9991 O O . ILE G 196 ? 1.2703 0.4213 1.2237 -0.0794 -0.0809 0.0975 197 ILE G O 9992 C CB . ILE G 196 ? 1.5675 0.4085 1.4312 -0.0742 -0.0287 0.0798 197 ILE G CB 9993 N N . ILE G 197 ? 1.3333 0.4583 1.2552 -0.1782 -0.1000 0.0410 198 ILE G N 9994 C CA . ILE G 197 ? 1.2190 0.4795 1.1889 -0.1957 -0.1228 0.0577 198 ILE G CA 9995 C C . ILE G 197 ? 1.2526 0.5217 1.2397 -0.2586 -0.1272 0.0724 198 ILE G C 9996 O O . ILE G 197 ? 1.3637 0.5415 1.3201 -0.3057 -0.1202 0.0550 198 ILE G O 9997 C CB . ILE G 197 ? 1.1538 0.4946 1.1251 -0.2012 -0.1455 0.0265 198 ILE G CB 9998 C CG1 . ILE G 197 ? 1.2413 0.5378 1.1738 -0.2572 -0.1568 -0.0143 198 ILE G CG1 9999 C CG2 . ILE G 197 ? 1.1116 0.4571 1.0719 -0.1416 -0.1372 0.0173 198 ILE G CG2 10000 C CD1 . ILE G 197 ? 1.1846 0.5838 1.1250 -0.2749 -0.1866 -0.0325 198 ILE G CD1 10001 N N . PRO G 198 ? 1.1647 0.5419 1.2002 -0.2623 -0.1355 0.1022 199 PRO G N 10002 C CA . PRO G 198 ? 1.1907 0.5935 1.2505 -0.3207 -0.1358 0.1195 199 PRO G CA 10003 C C . PRO G 198 ? 1.2343 0.6509 1.2927 -0.3888 -0.1541 0.0847 199 PRO G C 10004 O O . PRO G 198 ? 1.1988 0.6633 1.2535 -0.3860 -0.1755 0.0545 199 PRO G O 10005 C CB . PRO G 198 ? 1.0736 0.6112 1.1858 -0.3015 -0.1428 0.1455 199 PRO G CB 10006 C CG . PRO G 198 ? 1.0138 0.5577 1.1195 -0.2323 -0.1372 0.1540 199 PRO G CG 10007 C CD . PRO G 198 ? 1.0468 0.5242 1.1153 -0.2128 -0.1404 0.1196 199 PRO G CD 10008 N N . GLU G 199 ? 1.3173 0.6949 1.3769 -0.4517 -0.1456 0.0903 200 GLU G N 10009 C CA . GLU G 199 ? 1.3722 0.7678 1.4326 -0.5280 -0.1634 0.0560 200 GLU G CA 10010 C C . GLU G 199 ? 1.2691 0.8382 1.3906 -0.5432 -0.1929 0.0562 200 GLU G C 10011 O O . GLU G 199 ? 1.2831 0.9010 1.4046 -0.5816 -0.2196 0.0232 200 GLU G O 10012 C CB . GLU G 199 ? 1.4915 0.8047 1.5431 -0.5967 -0.1426 0.0652 200 GLU G CB 10013 N N . ASP G 200 ? 1.1732 0.8356 1.3446 -0.5103 -0.1875 0.0934 201 ASP G N 10014 C CA . ASP G 200 ? 1.0795 0.9044 1.3152 -0.5136 -0.2083 0.0993 201 ASP G CA 10015 C C . ASP G 200 ? 0.9794 0.8656 1.2208 -0.4450 -0.2221 0.0962 201 ASP G C 10016 O O . ASP G 200 ? 0.8942 0.8964 1.1874 -0.4221 -0.2272 0.1129 201 ASP G O 10017 C CB . ASP G 200 ? 1.0483 0.9406 1.3348 -0.5239 -0.1889 0.1380 201 ASP G CB 10018 N N . THR G 201 ? 0.9984 0.8023 1.1859 -0.4131 -0.2241 0.0744 202 THR G N 10019 C CA . THR G 201 ? 0.9207 0.7669 1.1052 -0.3546 -0.2338 0.0699 202 THR G CA 10020 C C . THR G 201 ? 0.8999 0.8462 1.1043 -0.3709 -0.2660 0.0552 202 THR G C 10021 O O . THR G 201 ? 0.9683 0.9057 1.1518 -0.4211 -0.2852 0.0295 202 THR G O 10022 C CB . THR G 201 ? 0.9553 0.6909 1.0779 -0.3201 -0.2238 0.0503 202 THR G CB 10023 O OG1 . THR G 201 ? 0.9914 0.6361 1.0974 -0.3062 -0.1967 0.0667 202 THR G OG1 10024 C CG2 . THR G 201 ? 0.8752 0.6529 0.9992 -0.2605 -0.2256 0.0523 202 THR G CG2 10025 N N . PHE G 202 ? 0.8139 0.8539 1.0560 -0.3279 -0.2714 0.0722 203 PHE G N 10026 C CA . PHE G 202 ? 0.7908 0.9417 1.0625 -0.3315 -0.3009 0.0707 203 PHE G CA 10027 C C . PHE G 202 ? 0.8038 0.9304 1.0235 -0.3062 -0.3176 0.0518 203 PHE G C 10028 O O . PHE G 202 ? 0.7708 0.8537 0.9656 -0.2559 -0.3022 0.0548 203 PHE G O 10029 C CB . PHE G 202 ? 0.7075 0.9632 1.0455 -0.2940 -0.2932 0.1007 203 PHE G CB 10030 C CG . PHE G 202 ? 0.6868 1.0628 1.0641 -0.2856 -0.3211 0.1074 203 PHE G CG 10031 C CD1 . PHE G 202 ? 0.7148 1.1835 1.1337 -0.3367 -0.3455 0.1059 203 PHE G CD1 10032 C CD2 . PHE G 202 ? 0.6443 1.0439 1.0192 -0.2260 -0.3222 0.1179 203 PHE G CD2 10033 C CE1 . PHE G 202 ? 0.6981 1.2920 1.1586 -0.3226 -0.3742 0.1169 203 PHE G CE1 10034 C CE2 . PHE G 202 ? 0.6348 1.1427 1.0450 -0.2099 -0.3475 0.1312 203 PHE G CE2 10035 C CZ . PHE G 202 ? 0.6554 1.2661 1.1102 -0.2550 -0.3752 0.1320 203 PHE G CZ 10036 N N . PHE G 203 ? 0.8581 1.0174 1.0595 -0.3457 -0.3486 0.0319 204 PHE G N 10037 C CA . PHE G 203 ? 0.8840 1.0322 1.0294 -0.3282 -0.3673 0.0153 204 PHE G CA 10038 C C . PHE G 203 ? 0.8736 1.1565 1.0511 -0.3303 -0.4047 0.0279 204 PHE G C 10039 O O . PHE G 203 ? 0.9260 1.2648 1.1086 -0.3861 -0.4341 0.0128 204 PHE G O 10040 C CB . PHE G 203 ? 0.9846 1.0323 1.0552 -0.3721 -0.3703 -0.0260 204 PHE G CB 10041 C CG . PHE G 203 ? 1.0085 0.9203 1.0429 -0.3571 -0.3333 -0.0364 204 PHE G CG 10042 C CD1 . PHE G 203 ? 1.0486 0.8993 1.0948 -0.3919 -0.3152 -0.0377 204 PHE G CD1 10043 C CD2 . PHE G 203 ? 0.9994 0.8471 0.9887 -0.3076 -0.3156 -0.0424 204 PHE G CD2 10044 C CE1 . PHE G 203 ? 1.0778 0.8060 1.0918 -0.3703 -0.2822 -0.0415 204 PHE G CE1 10045 C CE2 . PHE G 203 ? 1.0217 0.7586 0.9855 -0.2887 -0.2829 -0.0499 204 PHE G CE2 10046 C CZ . PHE G 203 ? 1.0621 0.7393 1.0382 -0.3167 -0.2673 -0.0479 204 PHE G CZ 10047 N N . PRO G 204 ? 0.8134 1.1502 1.0136 -0.2697 -0.4034 0.0566 205 PRO G N 10048 C CA . PRO G 204 ? 0.8073 1.2714 1.0396 -0.2563 -0.4371 0.0772 205 PRO G CA 10049 C C . PRO G 204 ? 0.8736 1.3358 1.0334 -0.2627 -0.4680 0.0623 205 PRO G C 10050 O O . PRO G 204 ? 0.8908 1.2606 0.9821 -0.2376 -0.4526 0.0520 205 PRO G O 10051 C CB . PRO G 204 ? 0.7358 1.2199 1.0044 -0.1842 -0.4142 0.1116 205 PRO G CB 10052 C CG . PRO G 204 ? 0.7201 1.0777 0.9432 -0.1613 -0.3776 0.1002 205 PRO G CG 10053 C CD . PRO G 204 ? 0.7519 1.0361 0.9557 -0.2115 -0.3679 0.0731 205 PRO G CD 10054 N N . SER G 205 ? 0.9141 1.4865 1.0897 -0.2981 -0.5110 0.0614 206 SER G N 10055 C CA . SER G 205 ? 0.9865 1.5857 1.0935 -0.3090 -0.5483 0.0500 206 SER G CA 10056 C C . SER G 205 ? 1.0508 1.5116 1.0509 -0.3221 -0.5336 0.0118 206 SER G C 10057 O O . SER G 205 ? 1.0502 1.4608 0.9985 -0.2742 -0.5205 0.0219 206 SER G O 10058 C CB . SER G 205 ? 0.9622 1.6473 1.0846 -0.2420 -0.5645 0.0957 206 SER G CB 10059 O OG . SER G 205 ? 0.9341 1.7723 1.1487 -0.2385 -0.5900 0.1251 206 SER G OG 10060 N N . GLU H 2 ? 0.6295 0.8695 0.6602 0.3487 0.0487 0.0270 1 GLU H N 10061 C CA . GLU H 2 ? 0.6723 0.8620 0.6838 0.3849 0.0381 0.0321 1 GLU H CA 10062 C C . GLU H 2 ? 0.6882 0.7662 0.6676 0.3616 0.0308 0.0390 1 GLU H C 10063 O O . GLU H 2 ? 0.7404 0.7521 0.6895 0.3890 0.0228 0.0420 1 GLU H O 10064 C CB . GLU H 2 ? 0.7398 0.9166 0.7272 0.4482 0.0418 0.0160 1 GLU H CB 10065 N N . ALA H 3 ? 0.6465 0.7072 0.6313 0.3118 0.0329 0.0426 2 ALA H N 10066 C CA . ALA H 3 ? 0.6556 0.6273 0.6137 0.2857 0.0276 0.0481 2 ALA H CA 10067 C C . ALA H 3 ? 0.6384 0.6099 0.6059 0.2745 0.0164 0.0645 2 ALA H C 10068 O O . ALA H 3 ? 0.5891 0.6021 0.5846 0.2418 0.0146 0.0726 2 ALA H O 10069 C CB . ALA H 3 ? 0.6202 0.5847 0.5829 0.2421 0.0334 0.0459 2 ALA H CB 10070 N N . ALA H 4 ? 0.6884 0.6074 0.6274 0.3014 0.0083 0.0693 3 ALA H N 10071 C CA . ALA H 4 ? 0.6810 0.6078 0.6258 0.2988 -0.0031 0.0851 3 ALA H CA 10072 C C . ALA H 4 ? 0.6714 0.5425 0.6004 0.2595 -0.0073 0.0930 3 ALA H C 10073 O O . ALA H 4 ? 0.7150 0.5049 0.6048 0.2538 -0.0075 0.0911 3 ALA H O 10074 C CB . ALA H 4 ? 0.7445 0.6464 0.6649 0.3491 -0.0115 0.0895 3 ALA H CB 10075 N N . VAL H 5 ? 0.6186 0.5356 0.5755 0.2317 -0.0105 0.1008 4 VAL H N 10076 C CA . VAL H 5 ? 0.6055 0.4854 0.5508 0.1986 -0.0143 0.1073 4 VAL H CA 10077 C C . VAL H 5 ? 0.6038 0.5060 0.5529 0.2004 -0.0248 0.1200 4 VAL H C 10078 O O . VAL H 5 ? 0.5722 0.5440 0.5518 0.2000 -0.0273 0.1223 4 VAL H O 10079 C CB . VAL H 5 ? 0.5533 0.4535 0.5207 0.1606 -0.0078 0.1021 4 VAL H CB 10080 C CG1 . VAL H 5 ? 0.5484 0.4175 0.5038 0.1322 -0.0106 0.1062 4 VAL H CG1 10081 C CG2 . VAL H 5 ? 0.5537 0.4343 0.5149 0.1577 0.0012 0.0915 4 VAL H CG2 10082 N N . THR H 6 ? 0.6410 0.4844 0.5556 0.1982 -0.0313 0.1285 5 THR H N 10083 C CA . THR H 6 ? 0.6512 0.5065 0.5600 0.2012 -0.0425 0.1422 5 THR H CA 10084 C C . THR H 6 ? 0.6266 0.4767 0.5335 0.1607 -0.0426 0.1443 5 THR H C 10085 O O . THR H 6 ? 0.6282 0.4393 0.5214 0.1371 -0.0365 0.1390 5 THR H O 10086 C CB . THR H 6 ? 0.7277 0.5174 0.5916 0.2321 -0.0516 0.1533 5 THR H CB 10087 O OG1 . THR H 6 ? 0.7499 0.5566 0.6186 0.2783 -0.0524 0.1502 5 THR H OG1 10088 C CG2 . THR H 6 ? 0.7483 0.5426 0.5991 0.2309 -0.0644 0.1706 5 THR H CG2 10089 N N . GLN H 7 ? 0.6064 0.5019 0.5269 0.1531 -0.0492 0.1506 6 GLN H N 10090 C CA . GLN H 7 ? 0.5890 0.4846 0.5053 0.1191 -0.0494 0.1506 6 GLN H CA 10091 C C . GLN H 7 ? 0.6197 0.5192 0.5167 0.1222 -0.0610 0.1653 6 GLN H C 10092 O O . GLN H 7 ? 0.6277 0.5655 0.5338 0.1447 -0.0695 0.1732 6 GLN H O 10093 C CB . GLN H 7 ? 0.5352 0.4845 0.4868 0.0977 -0.0444 0.1391 6 GLN H CB 10094 C CG . GLN H 7 ? 0.5021 0.4396 0.4660 0.0834 -0.0337 0.1265 6 GLN H CG 10095 C CD . GLN H 7 ? 0.4601 0.4331 0.4480 0.0613 -0.0310 0.1168 6 GLN H CD 10096 O OE1 . GLN H 7 ? 0.4431 0.4334 0.4510 0.0589 -0.0267 0.1107 6 GLN H OE1 10097 N NE2 . GLN H 7 ? 0.4589 0.4389 0.4406 0.0445 -0.0338 0.1152 6 GLN H NE2 10098 N N . SER H 8 ? 0.6384 0.5058 0.5090 0.0983 -0.0617 0.1695 7 SER H N 10099 C CA . SER H 8 ? 0.6736 0.5403 0.5193 0.0960 -0.0728 0.1852 7 SER H CA 10100 C C . SER H 8 ? 0.6613 0.5374 0.4995 0.0584 -0.0691 0.1807 7 SER H C 10101 O O . SER H 8 ? 0.6597 0.5095 0.4892 0.0377 -0.0603 0.1732 7 SER H O 10102 C CB . SER H 8 ? 0.7447 0.5407 0.5444 0.1148 -0.0810 0.2024 7 SER H CB 10103 O OG . SER H 8 ? 0.7877 0.5824 0.5605 0.1141 -0.0936 0.2211 7 SER H OG 10104 N N . PRO H 9 ? 0.6550 0.5760 0.4972 0.0495 -0.0754 0.1837 8 PRO H N 10105 C CA . PRO H 9 ? 0.6523 0.6222 0.5105 0.0689 -0.0856 0.1904 8 PRO H CA 10106 C C . PRO H 9 ? 0.6009 0.6212 0.5016 0.0659 -0.0794 0.1730 8 PRO H C 10107 O O . PRO H 9 ? 0.5733 0.5834 0.4876 0.0512 -0.0681 0.1573 8 PRO H O 10108 C CB . PRO H 9 ? 0.6658 0.6621 0.5072 0.0483 -0.0928 0.1969 8 PRO H CB 10109 C CG . PRO H 9 ? 0.6470 0.6342 0.4843 0.0155 -0.0811 0.1816 8 PRO H CG 10110 C CD . PRO H 9 ? 0.6539 0.5860 0.4821 0.0172 -0.0727 0.1799 8 PRO H CD 10111 N N . ARG H 10 ? 0.5949 0.6706 0.5140 0.0783 -0.0875 0.1771 9 ARG H N 10112 C CA . ARG H 10 ? 0.5551 0.6796 0.5091 0.0696 -0.0831 0.1631 9 ARG H CA 10113 C C . ARG H 10 ? 0.5389 0.6960 0.4962 0.0361 -0.0837 0.1517 9 ARG H C 10114 O O . ARG H 10 ? 0.5141 0.6858 0.4897 0.0179 -0.0778 0.1364 9 ARG H O 10115 C CB . ARG H 10 ? 0.5592 0.7363 0.5320 0.0974 -0.0908 0.1721 9 ARG H CB 10116 C CG . ARG H 10 ? 0.5903 0.7327 0.5563 0.1368 -0.0900 0.1803 9 ARG H CG 10117 C CD . ARG H 10 ? 0.5653 0.6997 0.5516 0.1383 -0.0776 0.1668 9 ARG H CD 10118 N NE . ARG H 10 ? 0.5576 0.7595 0.5716 0.1582 -0.0793 0.1671 9 ARG H NE 10119 C CZ . ARG H 10 ? 0.5296 0.7961 0.5712 0.1354 -0.0780 0.1599 9 ARG H CZ 10120 N NH1 . ARG H 10 ? 0.5048 0.7660 0.5475 0.0951 -0.0753 0.1504 9 ARG H NH1 10121 N NH2 . ARG H 10 ? 0.5213 0.8575 0.5868 0.1527 -0.0794 0.1615 9 ARG H NH2 10122 N N . ASN H 11 ? 0.5590 0.7226 0.4941 0.0276 -0.0911 0.1592 10 ASN H N 10123 C CA . ASN H 11 ? 0.5521 0.7439 0.4834 -0.0033 -0.0919 0.1467 10 ASN H CA 10124 C C . ASN H 11 ? 0.5742 0.7442 0.4737 -0.0155 -0.0925 0.1504 10 ASN H C 10125 O O . ASN H 11 ? 0.6052 0.7693 0.4834 -0.0026 -0.1017 0.1710 10 ASN H O 10126 C CB . ASN H 11 ? 0.5542 0.8149 0.4964 -0.0065 -0.1038 0.1516 10 ASN H CB 10127 C CG . ASN H 11 ? 0.5492 0.8347 0.4918 -0.0426 -0.1024 0.1317 10 ASN H CG 10128 O OD1 . ASN H 11 ? 0.5645 0.8338 0.4864 -0.0616 -0.0995 0.1213 10 ASN H OD1 10129 N ND2 . ASN H 11 ? 0.5383 0.8631 0.5011 -0.0536 -0.1045 0.1254 10 ASN H ND2 10130 N N . LYS H 12 ? 0.5637 0.7224 0.4578 -0.0392 -0.0830 0.1307 11 LYS H N 10131 C CA . LYS H 12 ? 0.5834 0.7274 0.4488 -0.0530 -0.0803 0.1312 11 LYS H CA 10132 C C . LYS H 12 ? 0.5847 0.7546 0.4427 -0.0788 -0.0766 0.1095 11 LYS H C 10133 O O . LYS H 12 ? 0.5696 0.7367 0.4418 -0.0865 -0.0692 0.0868 11 LYS H O 10134 C CB . LYS H 12 ? 0.5783 0.6755 0.4396 -0.0503 -0.0689 0.1289 11 LYS H CB 10135 C CG . LYS H 12 ? 0.5995 0.6894 0.4319 -0.0687 -0.0642 0.1289 11 LYS H CG 10136 C CD . LYS H 12 ? 0.6414 0.7273 0.4408 -0.0694 -0.0762 0.1556 11 LYS H CD 10137 C CE . LYS H 12 ? 0.6631 0.7506 0.4318 -0.0948 -0.0710 0.1556 11 LYS H CE 10138 N NZ . LYS H 12 ? 0.7119 0.8056 0.4451 -0.1017 -0.0844 0.1803 11 LYS H NZ 10139 N N . VAL H 13 ? 0.6100 0.8010 0.4414 -0.0914 -0.0824 0.1167 12 VAL H N 10140 C CA . VAL H 13 ? 0.6180 0.8336 0.4352 -0.1156 -0.0782 0.0949 12 VAL H CA 10141 C C . VAL H 13 ? 0.6347 0.8420 0.4263 -0.1260 -0.0705 0.0953 12 VAL H C 10142 O O . VAL H 13 ? 0.6593 0.8641 0.4283 -0.1267 -0.0777 0.1203 12 VAL H O 10143 C CB . VAL H 13 ? 0.6372 0.9012 0.4431 -0.1278 -0.0918 0.1003 12 VAL H CB 10144 C CG1 . VAL H 13 ? 0.6525 0.9368 0.4414 -0.1537 -0.0862 0.0720 12 VAL H CG1 10145 C CG2 . VAL H 13 ? 0.6188 0.9039 0.4501 -0.1196 -0.1006 0.1044 12 VAL H CG2 10146 N N . ALA H 14 ? 0.6265 0.8303 0.4201 -0.1337 -0.0565 0.0682 13 ALA H N 10147 C CA . ALA H 14 ? 0.6374 0.8459 0.4116 -0.1446 -0.0465 0.0645 13 ALA H CA 10148 C C . ALA H 14 ? 0.6492 0.8880 0.4127 -0.1581 -0.0371 0.0326 13 ALA H C 10149 O O . ALA H 14 ? 0.6513 0.8944 0.4199 -0.1593 -0.0384 0.0120 13 ALA H O 10150 C CB . ALA H 14 ? 0.6167 0.7941 0.4063 -0.1333 -0.0366 0.0642 13 ALA H CB 10151 N N . VAL H 15 ? 0.6625 0.9220 0.4080 -0.1694 -0.0275 0.0278 14 VAL H N 10152 C CA . VAL H 15 ? 0.6786 0.9727 0.4114 -0.1785 -0.0165 -0.0046 14 VAL H CA 10153 C C . VAL H 15 ? 0.6682 0.9679 0.4123 -0.1690 0.0000 -0.0243 14 VAL H C 10154 O O . VAL H 15 ? 0.6548 0.9468 0.4049 -0.1683 0.0029 -0.0068 14 VAL H O 10155 C CB . VAL H 15 ? 0.7120 1.0505 0.4086 -0.2038 -0.0203 0.0040 14 VAL H CB 10156 C CG1 . VAL H 15 ? 0.7214 1.0757 0.4000 -0.2179 -0.0152 0.0233 14 VAL H CG1 10157 C CG2 . VAL H 15 ? 0.7334 1.1059 0.4152 -0.2116 -0.0124 -0.0330 14 VAL H CG2 10158 N N . THR H 16 ? 0.6796 0.9922 0.4244 -0.1607 0.0103 -0.0612 15 THR H N 10159 C CA . THR H 16 ? 0.6761 1.0066 0.4311 -0.1462 0.0261 -0.0839 15 THR H CA 10160 C C . THR H 16 ? 0.6802 1.0599 0.4217 -0.1645 0.0331 -0.0698 15 THR H C 10161 O O . THR H 16 ? 0.7044 1.1219 0.4176 -0.1879 0.0322 -0.0646 15 THR H O 10162 C CB . THR H 16 ? 0.7053 1.0486 0.4504 -0.1345 0.0355 -0.1274 15 THR H CB 10163 O OG1 . THR H 16 ? 0.7153 1.0084 0.4622 -0.1276 0.0269 -0.1386 15 THR H OG1 10164 C CG2 . THR H 16 ? 0.6994 1.0569 0.4608 -0.1082 0.0502 -0.1511 15 THR H CG2 10165 N N . GLY H 17 ? 0.6599 1.0403 0.4193 -0.1574 0.0393 -0.0625 16 GLY H N 10166 C CA . GLY H 17 ? 0.6681 1.0948 0.4135 -0.1802 0.0459 -0.0482 16 GLY H CA 10167 C C . GLY H 17 ? 0.6708 1.0637 0.4026 -0.2017 0.0341 -0.0062 16 GLY H C 10168 O O . GLY H 17 ? 0.6794 1.0929 0.3987 -0.2231 0.0378 0.0094 16 GLY H O 10169 N N . GLY H 18 ? 0.6692 1.0101 0.4007 -0.1960 0.0195 0.0113 17 GLY H N 10170 C CA . GLY H 18 ? 0.6807 0.9785 0.3972 -0.2072 0.0067 0.0496 17 GLY H CA 10171 C C . GLY H 18 ? 0.6602 0.9186 0.3965 -0.1960 0.0078 0.0586 17 GLY H C 10172 O O . GLY H 18 ? 0.6326 0.8984 0.3980 -0.1781 0.0171 0.0370 17 GLY H O 10173 N N . LYS H 19 ? 0.6805 0.8944 0.3976 -0.2055 -0.0024 0.0904 18 LYS H N 10174 C CA . LYS H 19 ? 0.6701 0.8405 0.3994 -0.1971 -0.0025 0.0997 18 LYS H CA 10175 C C . LYS H 19 ? 0.6670 0.7805 0.4054 -0.1735 -0.0151 0.1141 18 LYS H C 10176 O O . LYS H 19 ? 0.6973 0.7875 0.4120 -0.1752 -0.0278 0.1362 18 LYS H O 10177 C CB . LYS H 19 ? 0.7071 0.8664 0.4012 -0.2288 -0.0026 0.1218 18 LYS H CB 10178 C CG . LYS H 19 ? 0.6963 0.8243 0.4010 -0.2268 0.0006 0.1243 18 LYS H CG 10179 C CD . LYS H 19 ? 0.7509 0.8555 0.4110 -0.2642 -0.0022 0.1484 18 LYS H CD 10180 C CE . LYS H 19 ? 0.7525 0.8101 0.4158 -0.2625 -0.0022 0.1533 18 LYS H CE 10181 N NZ . LYS H 19 ? 0.8220 0.8311 0.4311 -0.2996 -0.0089 0.1798 18 LYS H NZ 10182 N N . VAL H 20 ? 0.6327 0.7294 0.4052 -0.1505 -0.0117 0.1018 19 VAL H N 10183 C CA . VAL H 20 ? 0.6252 0.6804 0.4113 -0.1270 -0.0213 0.1117 19 VAL H CA 10184 C C . VAL H 20 ? 0.6210 0.6356 0.4141 -0.1192 -0.0196 0.1182 19 VAL H C 10185 O O . VAL H 20 ? 0.5997 0.6271 0.4106 -0.1198 -0.0095 0.1036 19 VAL H O 10186 C CB . VAL H 20 ? 0.5928 0.6658 0.4114 -0.1086 -0.0203 0.0908 19 VAL H CB 10187 C CG1 . VAL H 20 ? 0.5853 0.6303 0.4172 -0.0883 -0.0304 0.1027 19 VAL H CG1 10188 C CG2 . VAL H 20 ? 0.6024 0.7150 0.4110 -0.1190 -0.0210 0.0793 19 VAL H CG2 10189 N N . THR H 21 ? 0.6471 0.6138 0.4243 -0.1098 -0.0298 0.1395 20 THR H N 10190 C CA . THR H 21 ? 0.6513 0.5728 0.4291 -0.1013 -0.0290 0.1450 20 THR H CA 10191 C C . THR H 21 ? 0.6349 0.5386 0.4352 -0.0699 -0.0349 0.1463 20 THR H C 10192 O O . THR H 21 ? 0.6586 0.5503 0.4475 -0.0563 -0.0458 0.1608 20 THR H O 10193 C CB . THR H 21 ? 0.7113 0.5812 0.4406 -0.1185 -0.0353 0.1680 20 THR H CB 10194 O OG1 . THR H 21 ? 0.7350 0.6324 0.4406 -0.1533 -0.0306 0.1692 20 THR H OG1 10195 C CG2 . THR H 21 ? 0.7212 0.5446 0.4460 -0.1160 -0.0325 0.1686 20 THR H CG2 10196 N N . LEU H 22 ? 0.5981 0.5066 0.4300 -0.0583 -0.0280 0.1318 21 LEU H N 10197 C CA . LEU H 22 ? 0.5849 0.4831 0.4383 -0.0320 -0.0318 0.1324 21 LEU H CA 10198 C C . LEU H 22 ? 0.6061 0.4570 0.4479 -0.0236 -0.0310 0.1389 21 LEU H C 10199 O O . LEU H 22 ? 0.6009 0.4446 0.4439 -0.0355 -0.0233 0.1314 21 LEU H O 10200 C CB . LEU H 22 ? 0.5374 0.4690 0.4287 -0.0268 -0.0258 0.1135 21 LEU H CB 10201 C CG . LEU H 22 ? 0.5249 0.4952 0.4239 -0.0370 -0.0248 0.1007 21 LEU H CG 10202 C CD1 . LEU H 22 ? 0.4953 0.4781 0.4230 -0.0317 -0.0197 0.0831 21 LEU H CD1 10203 C CD2 . LEU H 22 ? 0.5361 0.5230 0.4261 -0.0353 -0.0351 0.1100 21 LEU H CD2 10204 N N . SER H 23 ? 0.6366 0.4574 0.4656 -0.0019 -0.0394 0.1519 22 SER H N 10205 C CA . SER H 23 ? 0.6723 0.4370 0.4796 0.0079 -0.0397 0.1573 22 SER H CA 10206 C C . SER H 23 ? 0.6520 0.4228 0.4862 0.0365 -0.0381 0.1505 22 SER H C 10207 O O . SER H 23 ? 0.6285 0.4396 0.4889 0.0536 -0.0414 0.1496 22 SER H O 10208 C CB . SER H 23 ? 0.7415 0.4525 0.5016 0.0138 -0.0509 0.1776 22 SER H CB 10209 O OG . SER H 23 ? 0.7686 0.4783 0.5009 -0.0171 -0.0526 0.1859 22 SER H OG 10210 N N . CYS H 24 ? 0.6642 0.3997 0.4900 0.0385 -0.0329 0.1455 23 CYS H N 10211 C CA . CYS H 24 ? 0.6478 0.3911 0.4959 0.0630 -0.0297 0.1378 23 CYS H CA 10212 C C . CYS H 24 ? 0.7007 0.3793 0.5144 0.0755 -0.0300 0.1393 23 CYS H C 10213 O O . CYS H 24 ? 0.7260 0.3653 0.5134 0.0526 -0.0266 0.1374 23 CYS H O 10214 C CB . CYS H 24 ? 0.5939 0.3750 0.4764 0.0494 -0.0202 0.1237 23 CYS H CB 10215 S SG . CYS H 24 ? 0.5850 0.3800 0.4917 0.0713 -0.0152 0.1151 23 CYS H SG 10216 N N . ASN H 25 ? 0.7212 0.3919 0.5339 0.1118 -0.0339 0.1412 24 ASN H N 10217 C CA . ASN H 25 ? 0.7825 0.3851 0.5578 0.1314 -0.0348 0.1401 24 ASN H CA 10218 C C . ASN H 25 ? 0.7629 0.3904 0.5624 0.1584 -0.0280 0.1269 24 ASN H C 10219 O O . ASN H 25 ? 0.7298 0.4196 0.5653 0.1797 -0.0284 0.1260 24 ASN H O 10220 C CB . ASN H 25 ? 0.8534 0.4078 0.5904 0.1578 -0.0473 0.1557 24 ASN H CB 10221 C CG . ASN H 25 ? 0.9394 0.4030 0.6251 0.1781 -0.0496 0.1541 24 ASN H CG 10222 O OD1 . ASN H 25 ? 0.9672 0.4248 0.6519 0.2229 -0.0515 0.1504 24 ASN H OD1 10223 N ND2 . ASN H 25 ? 0.9910 0.3847 0.6313 0.1446 -0.0493 0.1557 24 ASN H ND2 10224 N N . GLN H 26 ? 0.7870 0.3698 0.5645 0.1538 -0.0219 0.1164 25 GLN H N 10225 C CA . GLN H 26 ? 0.7808 0.3788 0.5712 0.1802 -0.0151 0.1029 25 GLN H CA 10226 C C . GLN H 26 ? 0.8621 0.3723 0.5988 0.1941 -0.0150 0.0958 25 GLN H C 10227 O O . GLN H 26 ? 0.9036 0.3497 0.6001 0.1643 -0.0160 0.0968 25 GLN H O 10228 C CB . GLN H 26 ? 0.7119 0.3666 0.5413 0.1564 -0.0051 0.0928 25 GLN H CB 10229 C CG . GLN H 26 ? 0.7049 0.3359 0.5213 0.1151 -0.0014 0.0900 25 GLN H CG 10230 C CD . GLN H 26 ? 0.7423 0.3263 0.5279 0.1106 0.0039 0.0781 25 GLN H CD 10231 O OE1 . GLN H 26 ? 0.7740 0.3404 0.5476 0.1401 0.0062 0.0695 25 GLN H OE1 10232 N NE2 . GLN H 26 ? 0.7425 0.3115 0.5146 0.0734 0.0061 0.0764 25 GLN H NE2 10233 N N . THR H 27 ? 0.8897 0.3982 0.6231 0.2386 -0.0139 0.0878 26 THR H N 10234 C CA . THR H 27 ? 0.9768 0.3957 0.6549 0.2590 -0.0137 0.0774 26 THR H CA 10235 C C . THR H 27 ? 0.9602 0.4053 0.6512 0.2673 -0.0015 0.0562 26 THR H C 10236 O O . THR H 27 ? 1.0242 0.4269 0.6848 0.3037 0.0005 0.0430 26 THR H O 10237 C CB . THR H 27 ? 1.0524 0.4287 0.7011 0.3129 -0.0238 0.0839 26 THR H CB 10238 O OG1 . THR H 27 ? 1.0125 0.4798 0.7089 0.3541 -0.0212 0.0802 26 THR H OG1 10239 C CG2 . THR H 27 ? 1.0745 0.4197 0.7035 0.3019 -0.0371 0.1070 26 THR H CG2 10240 N N . ASN H 28 ? 0.8783 0.3916 0.6116 0.2342 0.0062 0.0531 27 ASN H N 10241 C CA . ASN H 28 ? 0.8529 0.4022 0.6017 0.2343 0.0174 0.0363 27 ASN H CA 10242 C C . ASN H 28 ? 0.8871 0.3755 0.5968 0.2015 0.0213 0.0259 27 ASN H C 10243 O O . ASN H 28 ? 0.8838 0.3877 0.5942 0.2006 0.0299 0.0107 27 ASN H O 10244 C CB . ASN H 28 ? 0.7570 0.4069 0.5669 0.2152 0.0219 0.0409 27 ASN H CB 10245 C CG . ASN H 28 ? 0.7238 0.4416 0.5717 0.2401 0.0181 0.0502 27 ASN H CG 10246 O OD1 . ASN H 28 ? 0.7605 0.4902 0.6057 0.2826 0.0176 0.0461 27 ASN H OD1 10247 N ND2 . ASN H 28 ? 0.6592 0.4247 0.5415 0.2141 0.0151 0.0618 27 ASN H ND2 10248 N N . ASN H 29 ? 0.9223 0.3463 0.5963 0.1720 0.0146 0.0345 28 ASN H N 10249 C CA . ASN H 29 ? 0.9481 0.3271 0.5878 0.1288 0.0167 0.0282 28 ASN H CA 10250 C C . ASN H 29 ? 0.8641 0.3226 0.5492 0.0965 0.0231 0.0272 28 ASN H C 10251 O O . ASN H 29 ? 0.8723 0.3259 0.5436 0.0756 0.0283 0.0158 28 ASN H O 10252 C CB . ASN H 29 ? 1.0384 0.3376 0.6210 0.1421 0.0195 0.0093 28 ASN H CB 10253 C CG . ASN H 29 ? 1.0888 0.3224 0.6203 0.0926 0.0182 0.0053 28 ASN H CG 10254 O OD1 . ASN H 29 ? 1.0855 0.3068 0.6077 0.0553 0.0123 0.0194 28 ASN H OD1 10255 N ND2 . ASN H 29 ? 1.1359 0.3324 0.6328 0.0899 0.0238 -0.0148 28 ASN H ND2 10256 N N . HIS H 30 ? 0.7891 0.3184 0.5253 0.0938 0.0219 0.0393 29 HIS H N 10257 C CA . HIS H 30 ? 0.7181 0.3147 0.4945 0.0668 0.0256 0.0414 29 HIS H CA 10258 C C . HIS H 30 ? 0.7182 0.3022 0.4817 0.0269 0.0223 0.0481 29 HIS H C 10259 O O . HIS H 30 ? 0.7331 0.2947 0.4847 0.0208 0.0166 0.0580 29 HIS H O 10260 C CB . HIS H 30 ? 0.6505 0.3184 0.4799 0.0801 0.0250 0.0500 29 HIS H CB 10261 C CG . HIS H 30 ? 0.6383 0.3448 0.4887 0.1103 0.0296 0.0441 29 HIS H CG 10262 N ND1 . HIS H 30 ? 0.5977 0.3582 0.4846 0.1262 0.0278 0.0513 29 HIS H ND1 10263 C CD2 . HIS H 30 ? 0.6611 0.3661 0.4999 0.1252 0.0361 0.0309 29 HIS H CD2 10264 C CE1 . HIS H 30 ? 0.5988 0.3950 0.4975 0.1483 0.0332 0.0441 29 HIS H CE1 10265 N NE2 . HIS H 30 ? 0.6364 0.4004 0.5068 0.1500 0.0388 0.0311 29 HIS H NE2 10266 N N . ASN H 31 ? 0.7042 0.3094 0.4698 -0.0003 0.0257 0.0429 30 ASN H N 10267 C CA . ASN H 31 ? 0.6975 0.3131 0.4578 -0.0385 0.0235 0.0482 30 ASN H CA 10268 C C . ASN H 31 ? 0.6344 0.3099 0.4394 -0.0395 0.0218 0.0585 30 ASN H C 10269 O O . ASN H 31 ? 0.6382 0.3159 0.4364 -0.0600 0.0191 0.0648 30 ASN H O 10270 C CB . ASN H 31 ? 0.6927 0.3313 0.4498 -0.0631 0.0269 0.0405 30 ASN H CB 10271 C CG . ASN H 31 ? 0.7723 0.3425 0.4715 -0.0779 0.0276 0.0290 30 ASN H CG 10272 O OD1 . ASN H 31 ? 0.8422 0.3380 0.4989 -0.0703 0.0249 0.0273 30 ASN H OD1 10273 N ND2 . ASN H 31 ? 0.7717 0.3635 0.4654 -0.0995 0.0303 0.0210 30 ASN H ND2 10274 N N . ASN H 32 ? 0.5834 0.3056 0.4300 -0.0184 0.0236 0.0594 31 ASN H N 10275 C CA . ASN H 32 ? 0.5296 0.3050 0.4156 -0.0202 0.0223 0.0658 31 ASN H CA 10276 C C . ASN H 32 ? 0.5139 0.2957 0.4175 -0.0008 0.0194 0.0715 31 ASN H C 10277 O O . ASN H 32 ? 0.5157 0.2950 0.4249 0.0215 0.0196 0.0710 31 ASN H O 10278 C CB . ASN H 32 ? 0.4911 0.3109 0.4058 -0.0184 0.0245 0.0645 31 ASN H CB 10279 C CG . ASN H 32 ? 0.5116 0.3274 0.4067 -0.0351 0.0269 0.0584 31 ASN H CG 10280 O OD1 . ASN H 32 ? 0.5425 0.3542 0.4191 -0.0591 0.0260 0.0575 31 ASN H OD1 10281 N ND2 . ASN H 32 ? 0.5091 0.3308 0.4063 -0.0253 0.0301 0.0540 31 ASN H ND2 10282 N N . MET H 33 ? 0.5004 0.2969 0.4118 -0.0103 0.0169 0.0761 32 MET H N 10283 C CA . MET H 33 ? 0.4868 0.2930 0.4123 0.0026 0.0135 0.0809 32 MET H CA 10284 C C . MET H 33 ? 0.4524 0.2992 0.4045 -0.0041 0.0132 0.0806 32 MET H C 10285 O O . MET H 33 ? 0.4501 0.3125 0.4016 -0.0195 0.0148 0.0784 32 MET H O 10286 C CB . MET H 33 ? 0.5252 0.2921 0.4188 0.0004 0.0095 0.0865 32 MET H CB 10287 C CG . MET H 33 ? 0.5744 0.2886 0.4353 0.0136 0.0084 0.0862 32 MET H CG 10288 S SD . MET H 33 ? 0.6272 0.2862 0.4469 0.0173 0.0007 0.0969 32 MET H SD 10289 C CE . MET H 33 ? 0.5931 0.2953 0.4470 0.0447 -0.0035 0.1025 32 MET H CE 10290 N N . TYR H 34 ? 0.4317 0.2967 0.4049 0.0078 0.0109 0.0817 33 TYR H N 10291 C CA . TYR H 34 ? 0.4059 0.2994 0.4010 0.0056 0.0103 0.0787 33 TYR H CA 10292 C C . TYR H 34 ? 0.4030 0.3026 0.4015 0.0086 0.0067 0.0792 33 TYR H C 10293 O O . TYR H 34 ? 0.4120 0.3080 0.4100 0.0173 0.0038 0.0834 33 TYR H O 10294 C CB . TYR H 34 ? 0.3883 0.2953 0.4034 0.0117 0.0104 0.0784 33 TYR H CB 10295 C CG . TYR H 34 ? 0.3936 0.2980 0.4048 0.0100 0.0133 0.0788 33 TYR H CG 10296 C CD1 . TYR H 34 ? 0.4113 0.3035 0.4133 0.0166 0.0151 0.0795 33 TYR H CD1 10297 C CD2 . TYR H 34 ? 0.3920 0.3103 0.4078 0.0037 0.0140 0.0776 33 TYR H CD2 10298 C CE1 . TYR H 34 ? 0.4224 0.3127 0.4174 0.0138 0.0183 0.0776 33 TYR H CE1 10299 C CE2 . TYR H 34 ? 0.3998 0.3198 0.4101 -0.0004 0.0160 0.0781 33 TYR H CE2 10300 C CZ . TYR H 34 ? 0.4132 0.3174 0.4120 0.0030 0.0185 0.0774 33 TYR H CZ 10301 O OH . TYR H 34 ? 0.4177 0.3238 0.4078 -0.0021 0.0210 0.0756 33 TYR H OH 10302 N N . TRP H 35 ? 0.3928 0.3071 0.3948 0.0026 0.0070 0.0740 34 TRP H N 10303 C CA . TRP H 35 ? 0.3910 0.3133 0.3945 0.0031 0.0039 0.0718 34 TRP H CA 10304 C C . TRP H 35 ? 0.3816 0.3133 0.4010 0.0066 0.0030 0.0639 34 TRP H C 10305 O O . TRP H 35 ? 0.3784 0.3168 0.4027 0.0086 0.0054 0.0572 34 TRP H O 10306 C CB . TRP H 35 ? 0.4040 0.3331 0.3916 -0.0072 0.0051 0.0702 34 TRP H CB 10307 C CG . TRP H 35 ? 0.4222 0.3323 0.3864 -0.0117 0.0020 0.0805 34 TRP H CG 10308 C CD1 . TRP H 35 ? 0.4466 0.3384 0.3866 -0.0235 0.0032 0.0863 34 TRP H CD1 10309 C CD2 . TRP H 35 ? 0.4304 0.3356 0.3890 -0.0048 -0.0040 0.0874 34 TRP H CD2 10310 N NE1 . TRP H 35 ? 0.4740 0.3395 0.3904 -0.0222 -0.0022 0.0972 34 TRP H NE1 10311 C CE2 . TRP H 35 ? 0.4597 0.3375 0.3894 -0.0083 -0.0069 0.0983 34 TRP H CE2 10312 C CE3 . TRP H 35 ? 0.4185 0.3404 0.3914 0.0024 -0.0083 0.0862 34 TRP H CE3 10313 C CZ2 . TRP H 35 ? 0.4813 0.3489 0.3978 0.0010 -0.0144 0.1089 34 TRP H CZ2 10314 C CZ3 . TRP H 35 ? 0.4321 0.3545 0.3952 0.0087 -0.0151 0.0958 34 TRP H CZ3 10315 C CH2 . TRP H 35 ? 0.4644 0.3602 0.4005 0.0109 -0.0183 0.1075 34 TRP H CH2 10316 N N . TYR H 36 ? 0.3827 0.3139 0.4072 0.0073 -0.0012 0.0649 35 TYR H N 10317 C CA . TYR H 36 ? 0.3877 0.3151 0.4179 0.0060 -0.0037 0.0576 35 TYR H CA 10318 C C . TYR H 36 ? 0.4008 0.3340 0.4234 -0.0004 -0.0071 0.0516 35 TYR H C 10319 O O . TYR H 36 ? 0.4022 0.3473 0.4190 -0.0030 -0.0090 0.0572 35 TYR H O 10320 C CB . TYR H 36 ? 0.3848 0.3089 0.4234 0.0036 -0.0067 0.0642 35 TYR H CB 10321 C CG . TYR H 36 ? 0.3725 0.2933 0.4173 0.0081 -0.0040 0.0701 35 TYR H CG 10322 C CD1 . TYR H 36 ? 0.3595 0.2881 0.4047 0.0117 -0.0013 0.0768 35 TYR H CD1 10323 C CD2 . TYR H 36 ? 0.3795 0.2871 0.4264 0.0099 -0.0049 0.0689 35 TYR H CD2 10324 C CE1 . TYR H 36 ? 0.3534 0.2810 0.4015 0.0139 0.0013 0.0805 35 TYR H CE1 10325 C CE2 . TYR H 36 ? 0.3723 0.2814 0.4235 0.0123 -0.0033 0.0756 35 TYR H CE2 10326 C CZ . TYR H 36 ? 0.3578 0.2790 0.4098 0.0125 0.0002 0.0806 35 TYR H CZ 10327 O OH . TYR H 36 ? 0.3547 0.2792 0.4082 0.0130 0.0022 0.0853 35 TYR H OH 10328 N N . ARG H 37 ? 0.4168 0.3384 0.4357 -0.0023 -0.0086 0.0402 36 ARG H N 10329 C CA . ARG H 37 ? 0.4351 0.3586 0.4441 -0.0128 -0.0130 0.0331 36 ARG H CA 10330 C C . ARG H 37 ? 0.4547 0.3565 0.4610 -0.0225 -0.0184 0.0310 36 ARG H C 10331 O O . ARG H 37 ? 0.4613 0.3379 0.4685 -0.0173 -0.0183 0.0307 36 ARG H O 10332 C CB . ARG H 37 ? 0.4497 0.3759 0.4466 -0.0105 -0.0100 0.0176 36 ARG H CB 10333 C CG . ARG H 37 ? 0.4689 0.3732 0.4623 0.0017 -0.0074 0.0028 36 ARG H CG 10334 C CD . ARG H 37 ? 0.4915 0.4085 0.4728 0.0065 -0.0030 -0.0151 36 ARG H CD 10335 N NE . ARG H 37 ? 0.5288 0.4337 0.4925 -0.0053 -0.0073 -0.0270 36 ARG H NE 10336 C CZ . ARG H 37 ? 0.5504 0.4646 0.4988 -0.0040 -0.0040 -0.0455 36 ARG H CZ 10337 N NH1 . ARG H 37 ? 0.5424 0.4844 0.4928 0.0091 0.0040 -0.0539 36 ARG H NH1 10338 N NH2 . ARG H 37 ? 0.5822 0.4830 0.5118 -0.0182 -0.0088 -0.0565 36 ARG H NH2 10339 N N . GLN H 38 ? 0.4672 0.3800 0.4676 -0.0389 -0.0240 0.0312 37 GLN H N 10340 C CA . GLN H 38 ? 0.4966 0.3902 0.4883 -0.0573 -0.0302 0.0297 37 GLN H CA 10341 C C . GLN H 38 ? 0.5365 0.4137 0.5058 -0.0710 -0.0341 0.0133 37 GLN H C 10342 O O . GLN H 38 ? 0.5327 0.4391 0.4989 -0.0760 -0.0351 0.0103 37 GLN H O 10343 C CB . GLN H 38 ? 0.4798 0.4105 0.4835 -0.0704 -0.0340 0.0446 37 GLN H CB 10344 C CG . GLN H 38 ? 0.5071 0.4233 0.5021 -0.0951 -0.0398 0.0471 37 GLN H CG 10345 C CD . GLN H 38 ? 0.4892 0.4599 0.4981 -0.1094 -0.0428 0.0606 37 GLN H CD 10346 O OE1 . GLN H 38 ? 0.4686 0.4866 0.4875 -0.1049 -0.0440 0.0643 37 GLN H OE1 10347 N NE2 . GLN H 38 ? 0.4994 0.4670 0.5077 -0.1260 -0.0446 0.0687 37 GLN H NE2 10348 N N . ASP H 39 ? 0.5831 0.4094 0.5329 -0.0764 -0.0370 0.0027 38 ASP H N 10349 C CA . ASP H 39 ? 0.6375 0.4347 0.5583 -0.0914 -0.0412 -0.0159 38 ASP H CA 10350 C C . ASP H 39 ? 0.6879 0.4419 0.5871 -0.1183 -0.0496 -0.0144 38 ASP H C 10351 O O . ASP H 39 ? 0.6934 0.4219 0.5953 -0.1164 -0.0509 -0.0032 38 ASP H O 10352 C CB . ASP H 39 ? 0.6635 0.4272 0.5707 -0.0667 -0.0360 -0.0363 38 ASP H CB 10353 C CG . ASP H 39 ? 0.6276 0.4382 0.5526 -0.0467 -0.0275 -0.0370 38 ASP H CG 10354 O OD1 . ASP H 39 ? 0.6225 0.4652 0.5427 -0.0556 -0.0269 -0.0422 38 ASP H OD1 10355 O OD2 . ASP H 39 ? 0.6152 0.4315 0.5564 -0.0250 -0.0221 -0.0313 38 ASP H OD2 10356 N N . THR H 40 ? 0.7303 0.4764 0.6048 -0.1471 -0.0559 -0.0249 39 THR H N 10357 C CA . THR H 40 ? 0.7910 0.4935 0.6372 -0.1821 -0.0651 -0.0238 39 THR H CA 10358 C C . THR H 40 ? 0.8498 0.4623 0.6690 -0.1697 -0.0670 -0.0306 39 THR H C 10359 O O . THR H 40 ? 0.8748 0.4472 0.6805 -0.1410 -0.0634 -0.0493 39 THR H O 10360 C CB . THR H 40 ? 0.8369 0.5378 0.6531 -0.2170 -0.0719 -0.0387 39 THR H CB 10361 O OG1 . THR H 40 ? 0.8656 0.5371 0.6621 -0.1984 -0.0681 -0.0639 39 THR H OG1 10362 C CG2 . THR H 40 ? 0.7904 0.5849 0.6321 -0.2341 -0.0737 -0.0260 39 THR H CG2 10363 N N . GLY H 41 ? 0.8742 0.4600 0.6854 -0.1896 -0.0729 -0.0144 40 GLY H N 10364 C CA . GLY H 41 ? 0.9400 0.4363 0.7220 -0.1796 -0.0774 -0.0150 40 GLY H CA 10365 C C . GLY H 41 ? 0.9066 0.4034 0.7132 -0.1322 -0.0706 -0.0101 40 GLY H C 10366 O O . GLY H 41 ? 0.9606 0.3866 0.7439 -0.1090 -0.0736 -0.0167 40 GLY H O 10367 N N . HIS H 42 ? 0.8248 0.4000 0.6757 -0.1175 -0.0625 0.0015 41 HIS H N 10368 C CA . HIS H 42 ? 0.7907 0.3764 0.6651 -0.0776 -0.0559 0.0053 41 HIS H CA 10369 C C . HIS H 42 ? 0.7335 0.3638 0.6378 -0.0777 -0.0532 0.0285 41 HIS H C 10370 O O . HIS H 42 ? 0.7416 0.3485 0.6467 -0.0615 -0.0542 0.0376 41 HIS H O 10371 C CB . HIS H 42 ? 0.7563 0.3823 0.6478 -0.0512 -0.0470 -0.0100 41 HIS H CB 10372 C CG . HIS H 42 ? 0.8217 0.3994 0.6882 -0.0280 -0.0466 -0.0339 41 HIS H CG 10373 N ND1 . HIS H 42 ? 0.8937 0.4250 0.7239 -0.0438 -0.0515 -0.0526 41 HIS H ND1 10374 C CD2 . HIS H 42 ? 0.8359 0.4082 0.7073 0.0111 -0.0418 -0.0436 41 HIS H CD2 10375 C CE1 . HIS H 42 ? 0.9413 0.4364 0.7541 -0.0120 -0.0490 -0.0744 41 HIS H CE1 10376 N NE2 . HIS H 42 ? 0.9081 0.4321 0.7475 0.0227 -0.0431 -0.0689 41 HIS H NE2 10377 N N . GLY H 43 ? 0.6795 0.3746 0.6067 -0.0934 -0.0500 0.0374 42 GLY H N 10378 C CA . GLY H 43 ? 0.6239 0.3650 0.5795 -0.0860 -0.0451 0.0543 42 GLY H CA 10379 C C . GLY H 43 ? 0.5755 0.3444 0.5525 -0.0543 -0.0367 0.0495 42 GLY H C 10380 O O . GLY H 43 ? 0.5889 0.3367 0.5591 -0.0349 -0.0349 0.0359 42 GLY H O 10381 N N . LEU H 44 ? 0.5247 0.3416 0.5249 -0.0500 -0.0315 0.0600 43 LEU H N 10382 C CA . LEU H 44 ? 0.4844 0.3288 0.4997 -0.0290 -0.0244 0.0568 43 LEU H CA 10383 C C . LEU H 44 ? 0.4873 0.3131 0.5027 -0.0072 -0.0216 0.0520 43 LEU H C 10384 O O . LEU H 44 ? 0.5030 0.3059 0.5151 -0.0029 -0.0243 0.0582 43 LEU H O 10385 C CB . LEU H 44 ? 0.4473 0.3325 0.4798 -0.0282 -0.0205 0.0686 43 LEU H CB 10386 C CG . LEU H 44 ? 0.4313 0.3537 0.4692 -0.0370 -0.0216 0.0715 43 LEU H CG 10387 C CD1 . LEU H 44 ? 0.4475 0.3788 0.4807 -0.0614 -0.0276 0.0755 43 LEU H CD1 10388 C CD2 . LEU H 44 ? 0.4061 0.3588 0.4570 -0.0244 -0.0168 0.0797 43 LEU H CD2 10389 N N . ARG H 45 ? 0.4749 0.3158 0.4929 0.0054 -0.0168 0.0420 44 ARG H N 10390 C CA . ARG H 45 ? 0.4730 0.3152 0.4941 0.0259 -0.0132 0.0361 44 ARG H CA 10391 C C . ARG H 45 ? 0.4371 0.3185 0.4689 0.0286 -0.0064 0.0380 44 ARG H C 10392 O O . ARG H 45 ? 0.4296 0.3272 0.4587 0.0212 -0.0044 0.0356 44 ARG H O 10393 C CB . ARG H 45 ? 0.5074 0.3290 0.5147 0.0376 -0.0140 0.0181 44 ARG H CB 10394 C CG . ARG H 45 ? 0.5608 0.3264 0.5490 0.0391 -0.0218 0.0150 44 ARG H CG 10395 C CD . ARG H 45 ? 0.6131 0.3530 0.5822 0.0523 -0.0220 -0.0069 44 ARG H CD 10396 N NE . ARG H 45 ? 0.6135 0.3723 0.5772 0.0363 -0.0195 -0.0170 44 ARG H NE 10397 C CZ . ARG H 45 ? 0.6518 0.3972 0.5973 0.0423 -0.0184 -0.0383 44 ARG H CZ 10398 N NH1 . ARG H 45 ? 0.6972 0.4065 0.6275 0.0681 -0.0192 -0.0537 44 ARG H NH1 10399 N NH2 . ARG H 45 ? 0.6442 0.4130 0.5850 0.0247 -0.0168 -0.0446 44 ARG H NH2 10400 N N . LEU H 46 ? 0.4214 0.3157 0.4614 0.0368 -0.0039 0.0433 45 LEU H N 10401 C CA . LEU H 46 ? 0.3950 0.3191 0.4391 0.0335 0.0015 0.0463 45 LEU H CA 10402 C C . LEU H 46 ? 0.3969 0.3457 0.4380 0.0374 0.0059 0.0351 45 LEU H C 10403 O O . LEU H 46 ? 0.4116 0.3673 0.4548 0.0526 0.0063 0.0253 45 LEU H O 10404 C CB . LEU H 46 ? 0.3853 0.3181 0.4362 0.0369 0.0021 0.0543 45 LEU H CB 10405 C CG . LEU H 46 ? 0.3707 0.3229 0.4197 0.0271 0.0065 0.0593 45 LEU H CG 10406 C CD1 . LEU H 46 ? 0.3692 0.3067 0.4127 0.0181 0.0067 0.0662 45 LEU H CD1 10407 C CD2 . LEU H 46 ? 0.3611 0.3275 0.4156 0.0305 0.0062 0.0638 45 LEU H CD2 10408 N N . ILE H 47 ? 0.3860 0.3487 0.4201 0.0247 0.0090 0.0370 46 ILE H N 10409 C CA . ILE H 47 ? 0.3867 0.3791 0.4149 0.0218 0.0137 0.0285 46 ILE H CA 10410 C C . ILE H 47 ? 0.3783 0.3974 0.4048 0.0117 0.0177 0.0341 46 ILE H C 10411 O O . ILE H 47 ? 0.3789 0.4348 0.4109 0.0164 0.0213 0.0271 46 ILE H O 10412 C CB . ILE H 47 ? 0.3931 0.3831 0.4079 0.0099 0.0131 0.0285 46 ILE H CB 10413 C CG1 . ILE H 47 ? 0.4019 0.3692 0.4159 0.0137 0.0082 0.0231 46 ILE H CG1 10414 C CG2 . ILE H 47 ? 0.4017 0.4271 0.4082 0.0046 0.0184 0.0194 46 ILE H CG2 10415 C CD1 . ILE H 47 ? 0.3988 0.3668 0.4013 0.0015 0.0053 0.0271 46 ILE H CD1 10416 N N . HIS H 48 ? 0.3758 0.3772 0.3923 -0.0021 0.0168 0.0457 47 HIS H N 10417 C CA . HIS H 48 ? 0.3780 0.3913 0.3845 -0.0178 0.0195 0.0514 47 HIS H CA 10418 C C . HIS H 48 ? 0.3806 0.3599 0.3811 -0.0204 0.0172 0.0608 47 HIS H C 10419 O O . HIS H 48 ? 0.3810 0.3338 0.3826 -0.0126 0.0142 0.0644 47 HIS H O 10420 C CB . HIS H 48 ? 0.3939 0.4136 0.3782 -0.0382 0.0213 0.0540 47 HIS H CB 10421 C CG . HIS H 48 ? 0.3913 0.4606 0.3783 -0.0418 0.0260 0.0442 47 HIS H CG 10422 N ND1 . HIS H 48 ? 0.3898 0.5071 0.3851 -0.0451 0.0300 0.0395 47 HIS H ND1 10423 C CD2 . HIS H 48 ? 0.3955 0.4814 0.3775 -0.0424 0.0277 0.0375 47 HIS H CD2 10424 C CE1 . HIS H 48 ? 0.3922 0.5564 0.3892 -0.0451 0.0347 0.0295 47 HIS H CE1 10425 N NE2 . HIS H 48 ? 0.3960 0.5396 0.3838 -0.0441 0.0337 0.0275 47 HIS H NE2 10426 N N . TYR H 49 ? 0.3869 0.3721 0.3804 -0.0319 0.0188 0.0635 48 TYR H N 10427 C CA . TYR H 49 ? 0.3995 0.3506 0.3808 -0.0354 0.0178 0.0695 48 TYR H CA 10428 C C . TYR H 49 ? 0.4266 0.3713 0.3815 -0.0596 0.0194 0.0716 48 TYR H C 10429 O O . TYR H 49 ? 0.4309 0.4093 0.3817 -0.0765 0.0214 0.0697 48 TYR H O 10430 C CB . TYR H 49 ? 0.3819 0.3355 0.3821 -0.0212 0.0167 0.0697 48 TYR H CB 10431 C CG . TYR H 49 ? 0.3714 0.3610 0.3842 -0.0211 0.0170 0.0678 48 TYR H CG 10432 C CD1 . TYR H 49 ? 0.3614 0.3828 0.3913 -0.0091 0.0164 0.0630 48 TYR H CD1 10433 C CD2 . TYR H 49 ? 0.3801 0.3727 0.3866 -0.0300 0.0173 0.0702 48 TYR H CD2 10434 C CE1 . TYR H 49 ? 0.3552 0.4137 0.3973 -0.0030 0.0153 0.0624 48 TYR H CE1 10435 C CE2 . TYR H 49 ? 0.3747 0.4072 0.3933 -0.0288 0.0161 0.0703 48 TYR H CE2 10436 C CZ . TYR H 49 ? 0.3626 0.4293 0.4001 -0.0135 0.0147 0.0673 48 TYR H CZ 10437 O OH . TYR H 49 ? 0.3622 0.4721 0.4123 -0.0065 0.0122 0.0685 48 TYR H OH 10438 N N . SER H 50 ? 0.4494 0.3516 0.3840 -0.0621 0.0186 0.0746 49 SER H N 10439 C CA . SER H 50 ? 0.4894 0.3669 0.3888 -0.0876 0.0191 0.0758 49 SER H CA 10440 C C . SER H 50 ? 0.5028 0.3551 0.3925 -0.0851 0.0197 0.0730 49 SER H C 10441 O O . SER H 50 ? 0.4963 0.3279 0.3931 -0.0628 0.0196 0.0725 49 SER H O 10442 C CB . SER H 50 ? 0.5326 0.3613 0.3973 -0.0958 0.0164 0.0818 49 SER H CB 10443 O OG . SER H 50 ? 0.5827 0.3685 0.4038 -0.1213 0.0156 0.0832 49 SER H OG 10444 N N . TYR H 51 ? 0.5235 0.3843 0.3960 -0.1101 0.0207 0.0705 50 TYR H N 10445 C CA . TYR H 51 ? 0.5460 0.3822 0.4014 -0.1138 0.0217 0.0658 50 TYR H CA 10446 C C . TYR H 51 ? 0.6137 0.3799 0.4151 -0.1330 0.0207 0.0639 50 TYR H C 10447 O O . TYR H 51 ? 0.6479 0.3849 0.4245 -0.1403 0.0217 0.0571 50 TYR H O 10448 C CB . TYR H 51 ? 0.5284 0.4194 0.3963 -0.1300 0.0221 0.0636 50 TYR H CB 10449 C CG . TYR H 51 ? 0.4801 0.4224 0.3927 -0.1058 0.0216 0.0657 50 TYR H CG 10450 C CD1 . TYR H 51 ? 0.4694 0.3966 0.3970 -0.0804 0.0218 0.0663 50 TYR H CD1 10451 C CD2 . TYR H 51 ? 0.4589 0.4650 0.3954 -0.1085 0.0202 0.0675 50 TYR H CD2 10452 C CE1 . TYR H 51 ? 0.4383 0.4020 0.3990 -0.0627 0.0199 0.0704 50 TYR H CE1 10453 C CE2 . TYR H 51 ? 0.4300 0.4704 0.4006 -0.0837 0.0180 0.0704 50 TYR H CE2 10454 C CZ . TYR H 51 ? 0.4226 0.4361 0.4026 -0.0633 0.0174 0.0727 50 TYR H CZ 10455 O OH . TYR H 51 ? 0.4057 0.4425 0.4119 -0.0430 0.0138 0.0778 50 TYR H OH 10456 N N . GLY H 52 ? 0.6415 0.3764 0.4202 -0.1417 0.0182 0.0699 51 GLY H N 10457 C CA . GLY H 52 ? 0.7190 0.3731 0.4389 -0.1590 0.0153 0.0707 51 GLY H CA 10458 C C . GLY H 52 ? 0.7518 0.3877 0.4444 -0.1830 0.0116 0.0809 51 GLY H C 10459 O O . GLY H 52 ? 0.7110 0.4064 0.4325 -0.1875 0.0126 0.0855 51 GLY H O 10460 N N . ALA H 53 ? 0.8331 0.3832 0.4660 -0.1981 0.0071 0.0841 52 ALA H N 10461 C CA . ALA H 53 ? 0.8812 0.3992 0.4762 -0.2246 0.0021 0.0968 52 ALA H CA 10462 C C . ALA H 53 ? 0.8689 0.4527 0.4660 -0.2724 0.0044 0.0993 52 ALA H C 10463 O O . ALA H 53 ? 0.8824 0.4820 0.4666 -0.3037 0.0062 0.0929 52 ALA H O 10464 C CB . ALA H 53 ? 0.9860 0.3874 0.5070 -0.2349 -0.0043 0.0998 52 ALA H CB 10465 N N . GLY H 54 ? 0.8434 0.4735 0.4580 -0.2772 0.0046 0.1077 53 GLY H N 10466 C CA . GLY H 54 ? 0.8385 0.5399 0.4543 -0.3205 0.0074 0.1102 53 GLY H CA 10467 C C . GLY H 54 ? 0.7591 0.5716 0.4372 -0.3092 0.0141 0.1004 53 GLY H C 10468 O O . GLY H 54 ? 0.7497 0.6365 0.4348 -0.3394 0.0172 0.1006 53 GLY H O 10469 N N . SER H 55 ? 0.7076 0.5333 0.4289 -0.2657 0.0160 0.0926 54 SER H N 10470 C CA . SER H 55 ? 0.6421 0.5603 0.4191 -0.2482 0.0205 0.0850 54 SER H CA 10471 C C . SER H 55 ? 0.5941 0.5256 0.4119 -0.2041 0.0214 0.0834 54 SER H C 10472 O O . SER H 55 ? 0.5975 0.4745 0.4140 -0.1781 0.0189 0.0849 54 SER H O 10473 C CB . SER H 55 ? 0.6314 0.5604 0.4202 -0.2435 0.0210 0.0781 54 SER H CB 10474 O OG . SER H 55 ? 0.5998 0.5134 0.4191 -0.2001 0.0211 0.0748 54 SER H OG 10475 N N . THR H 56 ? 0.5550 0.5617 0.4070 -0.1963 0.0247 0.0792 55 THR H N 10476 C CA . THR H 56 ? 0.5132 0.5354 0.4014 -0.1583 0.0254 0.0751 55 THR H CA 10477 C C . THR H 56 ? 0.4724 0.5664 0.4006 -0.1406 0.0281 0.0667 55 THR H C 10478 O O . THR H 56 ? 0.4734 0.6293 0.4045 -0.1589 0.0307 0.0642 55 THR H O 10479 C CB . THR H 56 ? 0.5222 0.5523 0.4020 -0.1635 0.0262 0.0773 55 THR H CB 10480 O OG1 . THR H 56 ? 0.5402 0.6254 0.4079 -0.1966 0.0297 0.0773 55 THR H OG1 10481 C CG2 . THR H 56 ? 0.5599 0.5127 0.4033 -0.1690 0.0211 0.0880 55 THR H CG2 10482 N N . GLU H 57 ? 0.4437 0.5299 0.4004 -0.1055 0.0268 0.0632 56 GLU H N 10483 C CA . GLU H 57 ? 0.4158 0.5539 0.4058 -0.0825 0.0272 0.0570 56 GLU H CA 10484 C C . GLU H 57 ? 0.4008 0.5394 0.4116 -0.0518 0.0270 0.0504 56 GLU H C 10485 O O . GLU H 57 ? 0.4024 0.4932 0.4096 -0.0428 0.0250 0.0522 56 GLU H O 10486 C CB . GLU H 57 ? 0.4089 0.5306 0.4064 -0.0735 0.0239 0.0603 56 GLU H CB 10487 C CG . GLU H 57 ? 0.4316 0.5506 0.4056 -0.1041 0.0238 0.0640 56 GLU H CG 10488 C CD . GLU H 57 ? 0.4413 0.6333 0.4162 -0.1263 0.0254 0.0621 56 GLU H CD 10489 O OE1 . GLU H 57 ? 0.4177 0.6726 0.4210 -0.1064 0.0259 0.0578 56 GLU H OE1 10490 O OE2 . GLU H 57 ? 0.4741 0.6608 0.4189 -0.1637 0.0258 0.0644 56 GLU H OE2 10491 N N . LYS H 58 ? 0.3930 0.5873 0.4236 -0.0353 0.0289 0.0419 57 LYS H N 10492 C CA . LYS H 58 ? 0.3894 0.5806 0.4348 -0.0049 0.0286 0.0323 57 LYS H CA 10493 C C . LYS H 58 ? 0.3849 0.5326 0.4414 0.0189 0.0228 0.0352 57 LYS H C 10494 O O . LYS H 58 ? 0.3817 0.5386 0.4471 0.0260 0.0197 0.0403 57 LYS H O 10495 C CB . LYS H 58 ? 0.3900 0.6524 0.4507 0.0115 0.0323 0.0205 57 LYS H CB 10496 C CG . LYS H 58 ? 0.4025 0.7136 0.4526 -0.0096 0.0391 0.0148 57 LYS H CG 10497 C CD . LYS H 58 ? 0.4125 0.8009 0.4809 0.0144 0.0437 -0.0001 57 LYS H CD 10498 C CE . LYS H 58 ? 0.4289 0.8734 0.4859 -0.0087 0.0516 -0.0064 57 LYS H CE 10499 N NZ . LYS H 58 ? 0.4404 0.9750 0.5166 0.0168 0.0575 -0.0230 57 LYS H NZ 10500 N N . GLY H 59 ? 0.3892 0.4928 0.4428 0.0280 0.0209 0.0328 58 GLY H N 10501 C CA . GLY H 59 ? 0.3939 0.4557 0.4537 0.0449 0.0151 0.0360 58 GLY H CA 10502 C C . GLY H 59 ? 0.4130 0.4758 0.4804 0.0737 0.0127 0.0258 58 GLY H C 10503 O O . GLY H 59 ? 0.4200 0.5282 0.4950 0.0881 0.0150 0.0177 58 GLY H O 10504 N N . ASP H 60 ? 0.4284 0.4411 0.4911 0.0821 0.0076 0.0256 59 ASP H N 10505 C CA . ASP H 60 ? 0.4612 0.4532 0.5218 0.1094 0.0035 0.0158 59 ASP H CA 10506 C C . ASP H 60 ? 0.4764 0.4787 0.5304 0.1186 0.0079 -0.0032 59 ASP H C 10507 O O . ASP H 60 ? 0.5036 0.5150 0.5577 0.1471 0.0078 -0.0161 59 ASP H O 10508 C CB . ASP H 60 ? 0.4836 0.4129 0.5344 0.1078 -0.0042 0.0232 59 ASP H CB 10509 C CG . ASP H 60 ? 0.4884 0.4103 0.5440 0.1068 -0.0092 0.0401 59 ASP H CG 10510 O OD1 . ASP H 60 ? 0.5024 0.4539 0.5665 0.1228 -0.0103 0.0429 59 ASP H OD1 10511 O OD2 . ASP H 60 ? 0.4955 0.3884 0.5462 0.0897 -0.0122 0.0508 59 ASP H OD2 10512 N N . ILE H 61 ? 0.4646 0.4663 0.5111 0.0969 0.0114 -0.0054 60 ILE H N 10513 C CA . ILE H 61 ? 0.4794 0.4939 0.5166 0.1007 0.0158 -0.0234 60 ILE H CA 10514 C C . ILE H 61 ? 0.4577 0.5151 0.4925 0.0765 0.0224 -0.0212 60 ILE H C 10515 O O . ILE H 61 ? 0.4589 0.5009 0.4823 0.0595 0.0218 -0.0203 60 ILE H O 10516 C CB . ILE H 61 ? 0.5078 0.4660 0.5284 0.0988 0.0108 -0.0309 60 ILE H CB 10517 C CG1 . ILE H 61 ? 0.4897 0.4211 0.5087 0.0730 0.0063 -0.0142 60 ILE H CG1 10518 C CG2 . ILE H 61 ? 0.5459 0.4582 0.5586 0.1253 0.0048 -0.0387 60 ILE H CG2 10519 C CD1 . ILE H 61 ? 0.5070 0.4108 0.5103 0.0597 0.0030 -0.0209 60 ILE H CD1 10520 N N . PRO H 62 ? 0.4427 0.5554 0.4856 0.0732 0.0277 -0.0194 61 PRO H N 10521 C CA . PRO H 62 ? 0.4294 0.5751 0.4635 0.0445 0.0326 -0.0136 61 PRO H CA 10522 C C . PRO H 62 ? 0.4435 0.6253 0.4676 0.0417 0.0388 -0.0284 61 PRO H C 10523 O O . PRO H 62 ? 0.4443 0.6364 0.4539 0.0150 0.0406 -0.0213 61 PRO H O 10524 C CB . PRO H 62 ? 0.4171 0.6103 0.4605 0.0385 0.0353 -0.0071 61 PRO H CB 10525 C CG . PRO H 62 ? 0.4242 0.6403 0.4840 0.0728 0.0349 -0.0182 61 PRO H CG 10526 C CD . PRO H 62 ? 0.4425 0.5911 0.5004 0.0935 0.0282 -0.0208 61 PRO H CD 10527 N N . ASP H 63 ? 0.4619 0.6604 0.4903 0.0699 0.0417 -0.0487 62 ASP H N 10528 C CA . ASP H 63 ? 0.4764 0.7219 0.4959 0.0705 0.0495 -0.0666 62 ASP H CA 10529 C C . ASP H 63 ? 0.4820 0.7032 0.4810 0.0479 0.0485 -0.0658 62 ASP H C 10530 O O . ASP H 63 ? 0.4932 0.6584 0.4850 0.0520 0.0424 -0.0679 62 ASP H O 10531 C CB . ASP H 63 ? 0.5061 0.7605 0.5302 0.1121 0.0520 -0.0917 62 ASP H CB 10532 C CG . ASP H 63 ? 0.5052 0.8211 0.5494 0.1356 0.0555 -0.0951 62 ASP H CG 10533 O OD1 . ASP H 63 ? 0.5306 0.8641 0.5783 0.1751 0.0581 -0.1162 62 ASP H OD1 10534 O OD2 . ASP H 63 ? 0.4774 0.8247 0.5322 0.1159 0.0551 -0.0773 62 ASP H OD2 10535 N N . GLY H 64 ? 0.4782 0.7449 0.4658 0.0214 0.0537 -0.0613 63 GLY H N 10536 C CA . GLY H 64 ? 0.4858 0.7382 0.4516 -0.0011 0.0519 -0.0575 63 GLY H CA 10537 C C . GLY H 64 ? 0.4743 0.6933 0.4295 -0.0293 0.0450 -0.0302 63 GLY H C 10538 O O . GLY H 64 ? 0.4864 0.6969 0.4219 -0.0483 0.0420 -0.0223 63 GLY H O 10539 N N . TYR H 65 ? 0.4559 0.6551 0.4217 -0.0299 0.0420 -0.0161 64 TYR H N 10540 C CA . TYR H 65 ? 0.4511 0.6108 0.4046 -0.0502 0.0355 0.0072 64 TYR H CA 10541 C C . TYR H 65 ? 0.4507 0.6294 0.3985 -0.0703 0.0380 0.0189 64 TYR H C 10542 O O . TYR H 65 ? 0.4411 0.6561 0.4049 -0.0626 0.0426 0.0116 64 TYR H O 10543 C CB . TYR H 65 ? 0.4379 0.5443 0.4043 -0.0344 0.0285 0.0129 64 TYR H CB 10544 C CG . TYR H 65 ? 0.4379 0.5203 0.4077 -0.0205 0.0245 0.0033 64 TYR H CG 10545 C CD1 . TYR H 65 ? 0.4428 0.5025 0.4005 -0.0299 0.0180 0.0126 64 TYR H CD1 10546 C CD2 . TYR H 65 ? 0.4395 0.5197 0.4215 0.0015 0.0259 -0.0143 64 TYR H CD2 10547 C CE1 . TYR H 65 ? 0.4432 0.4864 0.4022 -0.0231 0.0136 0.0037 64 TYR H CE1 10548 C CE2 . TYR H 65 ? 0.4533 0.5036 0.4316 0.0082 0.0214 -0.0234 64 TYR H CE2 10549 C CZ . TYR H 65 ? 0.4520 0.4876 0.4195 -0.0068 0.0155 -0.0145 64 TYR H CZ 10550 O OH . TYR H 65 ? 0.4693 0.4811 0.4314 -0.0059 0.0105 -0.0236 64 TYR H OH 10551 N N . LYS H 66 ? 0.4683 0.6200 0.3901 -0.0960 0.0340 0.0374 65 LYS H N 10552 C CA . LYS H 66 ? 0.4810 0.6285 0.3886 -0.1196 0.0341 0.0502 65 LYS H CA 10553 C C . LYS H 66 ? 0.4891 0.5646 0.3846 -0.1183 0.0261 0.0656 65 LYS H C 10554 O O . LYS H 66 ? 0.4967 0.5357 0.3855 -0.1091 0.0201 0.0716 65 LYS H O 10555 C CB . LYS H 66 ? 0.5127 0.6892 0.3889 -0.1564 0.0366 0.0581 65 LYS H CB 10556 C CG . LYS H 66 ? 0.5129 0.7780 0.4011 -0.1630 0.0466 0.0434 65 LYS H CG 10557 C CD . LYS H 66 ? 0.5522 0.8523 0.4086 -0.1993 0.0495 0.0500 65 LYS H CD 10558 C CE . LYS H 66 ? 0.5451 0.9465 0.4176 -0.1984 0.0610 0.0309 65 LYS H CE 10559 N NZ . LYS H 66 ? 0.5660 1.0038 0.4126 -0.2228 0.0645 0.0318 65 LYS H NZ 10560 N N . ALA H 67 ? 0.4905 0.5507 0.3830 -0.1264 0.0259 0.0707 66 ALA H N 10561 C CA . ALA H 67 ? 0.5059 0.4989 0.3830 -0.1238 0.0196 0.0826 66 ALA H CA 10562 C C . ALA H 67 ? 0.5528 0.5139 0.3878 -0.1571 0.0175 0.0955 66 ALA H C 10563 O O . ALA H 67 ? 0.5637 0.5624 0.3890 -0.1850 0.0217 0.0944 66 ALA H O 10564 C CB . ALA H 67 ? 0.4796 0.4668 0.3832 -0.1029 0.0202 0.0766 66 ALA H CB 10565 N N . SER H 68 ? 0.5871 0.4783 0.3947 -0.1538 0.0104 0.1076 67 SER H N 10566 C CA . SER H 68 ? 0.6480 0.4851 0.4059 -0.1829 0.0064 0.1202 67 SER H CA 10567 C C . SER H 68 ? 0.6686 0.4372 0.4155 -0.1635 0.0020 0.1224 67 SER H C 10568 O O . SER H 68 ? 0.6615 0.4072 0.4202 -0.1311 -0.0018 0.1239 67 SER H O 10569 C CB . SER H 68 ? 0.6929 0.5040 0.4124 -0.1994 0.0005 0.1352 67 SER H CB 10570 O OG . SER H 68 ? 0.7633 0.5164 0.4268 -0.2333 -0.0040 0.1486 67 SER H OG 10571 N N . ARG H 69 ? 0.6957 0.4383 0.4199 -0.1837 0.0031 0.1212 68 ARG H N 10572 C CA . ARG H 69 ? 0.7266 0.4004 0.4321 -0.1674 -0.0001 0.1209 68 ARG H CA 10573 C C . ARG H 69 ? 0.8161 0.4117 0.4545 -0.1990 -0.0055 0.1307 68 ARG H C 10574 O O . ARG H 69 ? 0.8418 0.4270 0.4592 -0.2273 -0.0034 0.1261 68 ARG H O 10575 C CB . ARG H 69 ? 0.6843 0.3897 0.4219 -0.1583 0.0056 0.1076 68 ARG H CB 10576 C CG . ARG H 69 ? 0.7078 0.3545 0.4325 -0.1358 0.0040 0.1038 68 ARG H CG 10577 C CD . ARG H 69 ? 0.6594 0.3173 0.4206 -0.0919 0.0036 0.1016 68 ARG H CD 10578 N NE . ARG H 69 ? 0.6854 0.2950 0.4329 -0.0684 0.0030 0.0972 68 ARG H NE 10579 C CZ . ARG H 69 ? 0.6652 0.2886 0.4277 -0.0627 0.0078 0.0869 68 ARG H CZ 10580 N NH1 . ARG H 69 ? 0.6202 0.3009 0.4115 -0.0778 0.0122 0.0821 68 ARG H NH1 10581 N NH2 . ARG H 69 ? 0.6901 0.2722 0.4373 -0.0399 0.0081 0.0815 68 ARG H NH2 10582 N N . PRO H 70 ? 0.8714 0.4084 0.4719 -0.1956 -0.0138 0.1452 69 PRO H N 10583 C CA . PRO H 70 ? 0.9712 0.4216 0.4985 -0.2281 -0.0210 0.1577 69 PRO H CA 10584 C C . PRO H 70 ? 1.0302 0.3932 0.5219 -0.2153 -0.0238 0.1520 69 PRO H C 10585 O O . PRO H 70 ? 1.1102 0.4060 0.5419 -0.2516 -0.0274 0.1555 69 PRO H O 10586 C CB . PRO H 70 ? 1.0073 0.4217 0.5113 -0.2142 -0.0304 0.1755 69 PRO H CB 10587 C CG . PRO H 70 ? 0.9208 0.4185 0.4889 -0.1828 -0.0267 0.1703 69 PRO H CG 10588 C CD . PRO H 70 ? 0.8499 0.3942 0.4709 -0.1598 -0.0182 0.1514 69 PRO H CD 10589 N N . SER H 71 ? 0.9968 0.3621 0.5226 -0.1661 -0.0221 0.1422 70 SER H N 10590 C CA . SER H 71 ? 1.0505 0.3410 0.5471 -0.1446 -0.0234 0.1335 70 SER H CA 10591 C C . SER H 71 ? 0.9783 0.3263 0.5337 -0.1085 -0.0155 0.1174 70 SER H C 10592 O O . SER H 71 ? 0.8944 0.3297 0.5090 -0.1006 -0.0105 0.1148 70 SER H O 10593 C CB . SER H 71 ? 1.1279 0.3286 0.5805 -0.1123 -0.0341 0.1451 70 SER H CB 10594 O OG . SER H 71 ? 1.0708 0.3211 0.5695 -0.0703 -0.0358 0.1499 70 SER H OG 10595 N N . GLN H 72 ? 1.0208 0.3158 0.5552 -0.0876 -0.0146 0.1064 71 GLN H N 10596 C CA . GLN H 72 ? 0.9659 0.3089 0.5480 -0.0530 -0.0075 0.0925 71 GLN H CA 10597 C C . GLN H 72 ? 0.9239 0.3060 0.5479 -0.0080 -0.0093 0.0975 71 GLN H C 10598 O O . GLN H 72 ? 0.8487 0.3052 0.5280 0.0066 -0.0037 0.0918 71 GLN H O 10599 C CB . GLN H 72 ? 1.0336 0.3056 0.5747 -0.0394 -0.0062 0.0786 71 GLN H CB 10600 C CG . GLN H 72 ? 0.9853 0.3082 0.5688 -0.0101 0.0020 0.0634 71 GLN H CG 10601 C CD . GLN H 72 ? 0.9470 0.3271 0.5544 -0.0427 0.0090 0.0549 71 GLN H CD 10602 O OE1 . GLN H 72 ? 0.9387 0.3433 0.5458 -0.0834 0.0083 0.0605 71 GLN H OE1 10603 N NE2 . GLN H 72 ? 0.9243 0.3322 0.5525 -0.0239 0.0155 0.0418 71 GLN H NE2 10604 N N . GLU H 73 ? 0.9791 0.3109 0.5736 0.0111 -0.0182 0.1097 72 GLU H N 10605 C CA . GLU H 73 ? 0.9533 0.3199 0.5806 0.0545 -0.0217 0.1152 72 GLU H CA 10606 C C . GLU H 73 ? 0.8856 0.3261 0.5547 0.0429 -0.0228 0.1247 72 GLU H C 10607 O O . GLU H 73 ? 0.8241 0.3307 0.5421 0.0647 -0.0207 0.1221 72 GLU H O 10608 C CB . GLU H 73 ? 1.0446 0.3287 0.6216 0.0859 -0.0324 0.1249 72 GLU H CB 10609 C CG . GLU H 73 ? 1.1301 0.3404 0.6674 0.1129 -0.0313 0.1117 72 GLU H CG 10610 C CD . GLU H 73 ? 1.2233 0.3437 0.6956 0.0730 -0.0318 0.1077 72 GLU H CD 10611 O OE1 . GLU H 73 ? 1.2655 0.3430 0.7135 0.0823 -0.0271 0.0905 72 GLU H OE1 10612 O OE2 . GLU H 73 ? 1.2504 0.3462 0.6940 0.0297 -0.0368 0.1212 72 GLU H OE2 10613 N N . ASN H 74 ? 0.9021 0.3320 0.5488 0.0063 -0.0258 0.1348 73 ASN H N 10614 C CA . ASN H 74 ? 0.8525 0.3445 0.5293 -0.0040 -0.0270 0.1425 73 ASN H CA 10615 C C . ASN H 74 ? 0.7853 0.3468 0.4987 -0.0335 -0.0182 0.1335 73 ASN H C 10616 O O . ASN H 74 ? 0.7996 0.3534 0.4973 -0.0641 -0.0139 0.1290 73 ASN H O 10617 C CB . ASN H 74 ? 0.9150 0.3613 0.5444 -0.0208 -0.0366 0.1609 73 ASN H CB 10618 C CG . ASN H 74 ? 0.9804 0.3674 0.5788 0.0172 -0.0479 0.1730 73 ASN H CG 10619 O OD1 . ASN H 74 ? 0.9501 0.3756 0.5821 0.0551 -0.0502 0.1726 73 ASN H OD1 10620 N ND2 . ASN H 74 ? 1.0759 0.3692 0.6075 0.0069 -0.0560 0.1845 73 ASN H ND2 10621 N N . PHE H 75 ? 0.7191 0.3480 0.4790 -0.0233 -0.0162 0.1306 74 PHE H N 10622 C CA . PHE H 75 ? 0.6611 0.3533 0.4544 -0.0431 -0.0092 0.1220 74 PHE H CA 10623 C C . PHE H 75 ? 0.6387 0.3707 0.4475 -0.0429 -0.0118 0.1257 74 PHE H C 10624 O O . PHE H 75 ? 0.6213 0.3693 0.4501 -0.0192 -0.0154 0.1268 74 PHE H O 10625 C CB . PHE H 75 ? 0.6091 0.3366 0.4436 -0.0274 -0.0033 0.1097 74 PHE H CB 10626 C CG . PHE H 75 ? 0.5640 0.3432 0.4256 -0.0438 0.0029 0.1008 74 PHE H CG 10627 C CD1 . PHE H 75 ? 0.5780 0.3680 0.4233 -0.0736 0.0055 0.1007 74 PHE H CD1 10628 C CD2 . PHE H 75 ? 0.5153 0.3330 0.4165 -0.0290 0.0058 0.0931 74 PHE H CD2 10629 C CE1 . PHE H 75 ? 0.5391 0.3840 0.4112 -0.0818 0.0109 0.0920 74 PHE H CE1 10630 C CE2 . PHE H 75 ? 0.4842 0.3430 0.4072 -0.0375 0.0101 0.0856 74 PHE H CE2 10631 C CZ . PHE H 75 ? 0.4934 0.3690 0.4039 -0.0608 0.0128 0.0844 74 PHE H CZ 10632 N N . SER H 76 ? 0.6424 0.3953 0.4403 -0.0711 -0.0098 0.1270 75 SER H N 10633 C CA . SER H 76 ? 0.6291 0.4186 0.4345 -0.0742 -0.0117 0.1290 75 SER H CA 10634 C C . SER H 76 ? 0.5778 0.4317 0.4182 -0.0794 -0.0039 0.1137 75 SER H C 10635 O O . SER H 76 ? 0.5684 0.4445 0.4150 -0.0935 0.0026 0.1060 75 SER H O 10636 C CB . SER H 76 ? 0.6825 0.4474 0.4422 -0.1002 -0.0164 0.1436 75 SER H CB 10637 O OG . SER H 76 ? 0.7324 0.4481 0.4652 -0.0837 -0.0271 0.1592 75 SER H OG 10638 N N . LEU H 77 ? 0.5509 0.4340 0.4120 -0.0666 -0.0054 0.1088 76 LEU H N 10639 C CA . LEU H 77 ? 0.5179 0.4520 0.4024 -0.0694 0.0006 0.0934 76 LEU H CA 10640 C C . LEU H 77 ? 0.5380 0.4939 0.4026 -0.0858 -0.0002 0.0960 76 LEU H C 10641 O O . LEU H 77 ? 0.5564 0.4989 0.4067 -0.0829 -0.0078 0.1063 76 LEU H O 10642 C CB . LEU H 77 ? 0.4847 0.4300 0.4003 -0.0477 -0.0003 0.0836 76 LEU H CB 10643 C CG . LEU H 77 ? 0.4592 0.4394 0.3971 -0.0436 0.0054 0.0652 76 LEU H CG 10644 C CD1 . LEU H 77 ? 0.4459 0.4400 0.3943 -0.0445 0.0121 0.0584 76 LEU H CD1 10645 C CD2 . LEU H 77 ? 0.4398 0.4147 0.3977 -0.0282 0.0020 0.0593 76 LEU H CD2 10646 N N . ILE H 78 ? 0.5368 0.5325 0.3999 -0.1026 0.0072 0.0871 77 ILE H N 10647 C CA . ILE H 78 ? 0.5611 0.5850 0.4018 -0.1228 0.0079 0.0893 77 ILE H CA 10648 C C . ILE H 78 ? 0.5403 0.6223 0.4013 -0.1174 0.0159 0.0669 77 ILE H C 10649 O O . ILE H 78 ? 0.5223 0.6361 0.4035 -0.1113 0.0238 0.0524 77 ILE H O 10650 C CB . ILE H 78 ? 0.5985 0.6197 0.4049 -0.1563 0.0093 0.1022 77 ILE H CB 10651 C CG1 . ILE H 78 ? 0.6316 0.5819 0.4129 -0.1591 0.0016 0.1207 77 ILE H CG1 10652 C CG2 . ILE H 78 ? 0.6268 0.6706 0.4031 -0.1800 0.0079 0.1099 77 ILE H CG2 10653 C CD1 . ILE H 78 ? 0.6764 0.6129 0.4214 -0.1956 0.0028 0.1312 77 ILE H CD1 10654 N N . LEU H 79 ? 0.5481 0.6431 0.4013 -0.1176 0.0133 0.0640 78 LEU H N 10655 C CA . LEU H 79 ? 0.5411 0.6843 0.4040 -0.1127 0.0204 0.0409 78 LEU H CA 10656 C C . LEU H 79 ? 0.5701 0.7507 0.4035 -0.1396 0.0229 0.0453 78 LEU H C 10657 O O . LEU H 79 ? 0.5912 0.7592 0.4025 -0.1495 0.0151 0.0580 78 LEU H O 10658 C CB . LEU H 79 ? 0.5338 0.6619 0.4070 -0.0955 0.0150 0.0317 78 LEU H CB 10659 C CG . LEU H 79 ? 0.5110 0.6052 0.4096 -0.0731 0.0114 0.0274 78 LEU H CG 10660 C CD1 . LEU H 79 ? 0.5083 0.5625 0.4071 -0.0709 0.0039 0.0495 78 LEU H CD1 10661 C CD2 . LEU H 79 ? 0.5125 0.6052 0.4122 -0.0676 0.0070 0.0156 78 LEU H CD2 10662 N N . GLU H 80 ? 0.5730 0.8057 0.4058 -0.1520 0.0332 0.0358 79 GLU H N 10663 C CA . GLU H 80 ? 0.6056 0.8808 0.4074 -0.1842 0.0365 0.0424 79 GLU H CA 10664 C C . GLU H 80 ? 0.6105 0.9362 0.4102 -0.1803 0.0424 0.0209 79 GLU H C 10665 O O . GLU H 80 ? 0.6391 0.9889 0.4088 -0.2058 0.0416 0.0294 79 GLU H O 10666 C CB . GLU H 80 ? 0.6115 0.9300 0.4096 -0.2067 0.0449 0.0442 79 GLU H CB 10667 C CG . GLU H 80 ? 0.6257 0.8905 0.4175 -0.2166 0.0388 0.0645 79 GLU H CG 10668 C CD . GLU H 80 ? 0.6807 0.9574 0.4352 -0.2628 0.0393 0.0833 79 GLU H CD 10669 O OE1 . GLU H 80 ? 0.7238 1.0030 0.4418 -0.2906 0.0361 0.0973 79 GLU H OE1 10670 O OE2 . GLU H 80 ? 0.6819 0.9642 0.4406 -0.2742 0.0420 0.0852 79 GLU H OE2 10671 N N . LEU H 81 ? 0.5901 0.9272 0.4173 -0.1489 0.0478 -0.0067 80 LEU H N 10672 C CA . LEU H 81 ? 0.5996 0.9683 0.4224 -0.1398 0.0525 -0.0316 80 LEU H CA 10673 C C . LEU H 81 ? 0.5875 0.9053 0.4274 -0.1114 0.0465 -0.0443 80 LEU H C 10674 O O . LEU H 81 ? 0.5780 0.8924 0.4391 -0.0838 0.0515 -0.0659 80 LEU H O 10675 C CB . LEU H 81 ? 0.6032 1.0465 0.4350 -0.1306 0.0678 -0.0592 80 LEU H CB 10676 C CG . LEU H 81 ? 0.6181 1.1326 0.4346 -0.1622 0.0761 -0.0508 80 LEU H CG 10677 C CD1 . LEU H 81 ? 0.6115 1.1992 0.4514 -0.1419 0.0902 -0.0766 80 LEU H CD1 10678 C CD2 . LEU H 81 ? 0.6517 1.2014 0.4337 -0.1914 0.0771 -0.0476 80 LEU H CD2 10679 N N . ALA H 82 ? 0.5907 0.8696 0.4191 -0.1192 0.0347 -0.0289 81 ALA H N 10680 C CA . ALA H 82 ? 0.5828 0.8175 0.4238 -0.1012 0.0275 -0.0367 81 ALA H CA 10681 C C . ALA H 82 ? 0.6018 0.8490 0.4393 -0.0887 0.0330 -0.0708 81 ALA H C 10682 O O . ALA H 82 ? 0.6250 0.9121 0.4418 -0.1000 0.0377 -0.0836 81 ALA H O 10683 C CB . ALA H 82 ? 0.5881 0.7969 0.4168 -0.1137 0.0139 -0.0129 81 ALA H CB 10684 N N . THR H 83 ? 0.5989 0.8079 0.4525 -0.0662 0.0321 -0.0857 82 THR H N 10685 C CA . THR H 83 ? 0.6295 0.8282 0.4742 -0.0518 0.0355 -0.1190 82 THR H CA 10686 C C . THR H 83 ? 0.6383 0.7840 0.4801 -0.0559 0.0238 -0.1172 82 THR H C 10687 O O . THR H 83 ? 0.6132 0.7334 0.4698 -0.0595 0.0156 -0.0933 82 THR H O 10688 C CB . THR H 83 ? 0.6344 0.8295 0.4943 -0.0200 0.0443 -0.1400 82 THR H CB 10689 O OG1 . THR H 83 ? 0.6096 0.7691 0.4929 -0.0103 0.0393 -0.1217 82 THR H OG1 10690 C CG2 . THR H 83 ? 0.6287 0.8943 0.4904 -0.0167 0.0571 -0.1477 82 THR H CG2 10691 N N . PRO H 84 ? 0.6781 0.8097 0.4987 -0.0572 0.0231 -0.1435 83 PRO H N 10692 C CA . PRO H 84 ? 0.6919 0.7787 0.5059 -0.0685 0.0115 -0.1421 83 PRO H CA 10693 C C . PRO H 84 ? 0.6847 0.7177 0.5165 -0.0533 0.0079 -0.1379 83 PRO H C 10694 O O . PRO H 84 ? 0.6803 0.6880 0.5159 -0.0667 -0.0021 -0.1240 83 PRO H O 10695 C CB . PRO H 84 ? 0.7477 0.8244 0.5298 -0.0713 0.0139 -0.1775 83 PRO H CB 10696 C CG . PRO H 84 ? 0.7549 0.8893 0.5266 -0.0684 0.0253 -0.1903 83 PRO H CG 10697 C CD . PRO H 84 ? 0.7173 0.8756 0.5157 -0.0506 0.0331 -0.1767 83 PRO H CD 10698 N N . SER H 85 ? 0.6839 0.7070 0.5264 -0.0260 0.0160 -0.1486 84 SER H N 10699 C CA . SER H 85 ? 0.6803 0.6539 0.5373 -0.0098 0.0126 -0.1434 84 SER H CA 10700 C C . SER H 85 ? 0.6287 0.6101 0.5130 -0.0154 0.0086 -0.1101 84 SER H C 10701 O O . SER H 85 ? 0.6239 0.5696 0.5206 -0.0066 0.0050 -0.1020 84 SER H O 10702 C CB . SER H 85 ? 0.6998 0.6684 0.5598 0.0249 0.0214 -0.1636 84 SER H CB 10703 O OG . SER H 85 ? 0.6580 0.6820 0.5404 0.0331 0.0291 -0.1516 84 SER H OG 10704 N N . GLN H 86 ? 0.5962 0.6205 0.4858 -0.0297 0.0089 -0.0912 85 GLN H N 10705 C CA . GLN H 86 ? 0.5552 0.5823 0.4644 -0.0337 0.0051 -0.0618 85 GLN H CA 10706 C C . GLN H 86 ? 0.5503 0.5705 0.4586 -0.0507 -0.0056 -0.0449 85 GLN H C 10707 O O . GLN H 86 ? 0.5259 0.5466 0.4478 -0.0511 -0.0094 -0.0222 85 GLN H O 10708 C CB . GLN H 86 ? 0.5344 0.6017 0.4448 -0.0378 0.0108 -0.0495 85 GLN H CB 10709 C CG . GLN H 86 ? 0.5251 0.6083 0.4466 -0.0213 0.0204 -0.0579 85 GLN H CG 10710 C CD . GLN H 86 ? 0.5146 0.6439 0.4305 -0.0337 0.0264 -0.0487 85 GLN H CD 10711 O OE1 . GLN H 86 ? 0.5222 0.6781 0.4194 -0.0503 0.0269 -0.0484 85 GLN H OE1 10712 N NE2 . GLN H 86 ? 0.4976 0.6378 0.4269 -0.0293 0.0305 -0.0405 85 GLN H NE2 10713 N N . THR H 87 ? 0.5779 0.5949 0.4688 -0.0641 -0.0105 -0.0576 86 THR H N 10714 C CA . THR H 87 ? 0.5757 0.5952 0.4664 -0.0812 -0.0215 -0.0446 86 THR H CA 10715 C C . THR H 87 ? 0.5670 0.5542 0.4733 -0.0778 -0.0251 -0.0378 86 THR H C 10716 O O . THR H 87 ? 0.5931 0.5409 0.4920 -0.0754 -0.0242 -0.0539 86 THR H O 10717 C CB . THR H 87 ? 0.6156 0.6382 0.4806 -0.1003 -0.0259 -0.0637 86 THR H CB 10718 O OG1 . THR H 87 ? 0.6226 0.6831 0.4724 -0.1058 -0.0231 -0.0670 86 THR H OG1 10719 C CG2 . THR H 87 ? 0.6155 0.6487 0.4818 -0.1208 -0.0380 -0.0513 86 THR H CG2 10720 N N . SER H 88 ? 0.5365 0.5386 0.4612 -0.0765 -0.0292 -0.0139 87 SER H N 10721 C CA . SER H 88 ? 0.5246 0.5061 0.4659 -0.0729 -0.0309 -0.0049 87 SER H CA 10722 C C . SER H 88 ? 0.4973 0.5083 0.4549 -0.0713 -0.0359 0.0188 87 SER H C 10723 O O . SER H 88 ? 0.4951 0.5371 0.4489 -0.0727 -0.0400 0.0288 87 SER H O 10724 C CB . SER H 88 ? 0.5137 0.4694 0.4642 -0.0534 -0.0229 -0.0080 87 SER H CB 10725 O OG . SER H 88 ? 0.5146 0.4451 0.4752 -0.0522 -0.0248 -0.0026 87 SER H OG 10726 N N . VAL H 89 ? 0.4821 0.4834 0.4557 -0.0664 -0.0358 0.0277 88 VAL H N 10727 C CA . VAL H 89 ? 0.4583 0.4848 0.4479 -0.0569 -0.0381 0.0474 88 VAL H CA 10728 C C . VAL H 89 ? 0.4416 0.4459 0.4409 -0.0394 -0.0308 0.0523 88 VAL H C 10729 O O . VAL H 89 ? 0.4428 0.4225 0.4467 -0.0387 -0.0273 0.0468 88 VAL H O 10730 C CB . VAL H 89 ? 0.4582 0.5076 0.4579 -0.0695 -0.0442 0.0535 88 VAL H CB 10731 C CG1 . VAL H 89 ? 0.4386 0.5147 0.4564 -0.0524 -0.0443 0.0705 88 VAL H CG1 10732 C CG2 . VAL H 89 ? 0.4750 0.5573 0.4647 -0.0897 -0.0527 0.0506 88 VAL H CG2 10733 N N . TYR H 90 ? 0.4335 0.4436 0.4318 -0.0266 -0.0295 0.0634 89 TYR H N 10734 C CA . TYR H 90 ? 0.4225 0.4112 0.4238 -0.0146 -0.0229 0.0669 89 TYR H CA 10735 C C . TYR H 90 ? 0.4145 0.4064 0.4255 -0.0020 -0.0236 0.0795 89 TYR H C 10736 O O . TYR H 90 ? 0.4206 0.4290 0.4294 0.0063 -0.0287 0.0899 89 TYR H O 10737 C CB . TYR H 90 ? 0.4301 0.4135 0.4149 -0.0141 -0.0204 0.0685 89 TYR H CB 10738 C CG . TYR H 90 ? 0.4387 0.4254 0.4150 -0.0233 -0.0168 0.0531 89 TYR H CG 10739 C CD1 . TYR H 90 ? 0.4568 0.4603 0.4222 -0.0335 -0.0210 0.0470 89 TYR H CD1 10740 C CD2 . TYR H 90 ? 0.4320 0.4102 0.4105 -0.0203 -0.0093 0.0434 89 TYR H CD2 10741 C CE1 . TYR H 90 ? 0.4684 0.4758 0.4237 -0.0394 -0.0166 0.0295 89 TYR H CE1 10742 C CE2 . TYR H 90 ? 0.4404 0.4279 0.4117 -0.0231 -0.0052 0.0269 89 TYR H CE2 10743 C CZ . TYR H 90 ? 0.4607 0.4604 0.4194 -0.0321 -0.0083 0.0190 89 TYR H CZ 10744 O OH . TYR H 90 ? 0.4843 0.4938 0.4334 -0.0325 -0.0032 -0.0003 89 TYR H OH 10745 N N . PHE H 91 ? 0.4049 0.3828 0.4255 0.0014 -0.0188 0.0779 90 PHE H N 10746 C CA . PHE H 91 ? 0.4000 0.3810 0.4280 0.0138 -0.0175 0.0863 90 PHE H CA 10747 C C . PHE H 91 ? 0.4055 0.3592 0.4250 0.0210 -0.0119 0.0873 90 PHE H C 10748 O O . PHE H 91 ? 0.4018 0.3423 0.4199 0.0145 -0.0078 0.0810 90 PHE H O 10749 C CB . PHE H 91 ? 0.3895 0.3823 0.4327 0.0077 -0.0170 0.0852 90 PHE H CB 10750 C CG . PHE H 91 ? 0.3825 0.4095 0.4325 -0.0025 -0.0230 0.0871 90 PHE H CG 10751 C CD1 . PHE H 91 ? 0.3886 0.4110 0.4343 -0.0227 -0.0265 0.0797 90 PHE H CD1 10752 C CD2 . PHE H 91 ? 0.3684 0.4339 0.4273 0.0077 -0.0255 0.0953 90 PHE H CD2 10753 C CE1 . PHE H 91 ? 0.3884 0.4438 0.4367 -0.0391 -0.0328 0.0812 90 PHE H CE1 10754 C CE2 . PHE H 91 ? 0.3679 0.4780 0.4346 -0.0050 -0.0314 0.0976 90 PHE H CE2 10755 C CZ . PHE H 91 ? 0.3761 0.4809 0.4367 -0.0319 -0.0353 0.0909 90 PHE H CZ 10756 N N . CYS H 92 ? 0.4202 0.3665 0.4320 0.0351 -0.0122 0.0946 91 CYS H N 10757 C CA . CYS H 92 ? 0.4357 0.3517 0.4342 0.0393 -0.0076 0.0951 91 CYS H CA 10758 C C . CYS H 92 ? 0.4278 0.3490 0.4352 0.0509 -0.0044 0.0948 91 CYS H C 10759 O O . CYS H 92 ? 0.4289 0.3754 0.4460 0.0633 -0.0067 0.0978 91 CYS H O 10760 C CB . CYS H 92 ? 0.4710 0.3592 0.4422 0.0460 -0.0110 0.1025 91 CYS H CB 10761 S SG . CYS H 92 ? 0.5329 0.3725 0.4774 0.0477 -0.0067 0.1026 91 CYS H SG 10762 N N . ALA H 93 ? 0.4218 0.3267 0.4259 0.0463 0.0008 0.0910 92 ALA H N 10763 C CA . ALA H 93 ? 0.4205 0.3303 0.4289 0.0558 0.0047 0.0895 92 ALA H CA 10764 C C . ALA H 93 ? 0.4440 0.3168 0.4285 0.0570 0.0085 0.0865 92 ALA H C 10765 O O . ALA H 93 ? 0.4553 0.3041 0.4235 0.0441 0.0083 0.0864 92 ALA H O 10766 C CB . ALA H 93 ? 0.3961 0.3293 0.4246 0.0449 0.0067 0.0879 92 ALA H CB 10767 N N . SER H 94 ? 0.4540 0.3248 0.4341 0.0702 0.0121 0.0832 93 SER H N 10768 C CA . SER H 94 ? 0.4848 0.3170 0.4381 0.0688 0.0158 0.0777 93 SER H CA 10769 C C . SER H 94 ? 0.4761 0.3278 0.4375 0.0703 0.0217 0.0718 93 SER H C 10770 O O . SER H 94 ? 0.4554 0.3478 0.4393 0.0779 0.0229 0.0729 93 SER H O 10771 C CB . SER H 94 ? 0.5358 0.3240 0.4575 0.0885 0.0134 0.0777 93 SER H CB 10772 O OG . SER H 94 ? 0.5498 0.3543 0.4764 0.1167 0.0156 0.0737 93 SER H OG 10773 N N . GLY H 95 ? 0.4952 0.3211 0.4359 0.0594 0.0250 0.0659 94 GLY H N 10774 C CA . GLY H 95 ? 0.4953 0.3390 0.4387 0.0588 0.0305 0.0599 94 GLY H CA 10775 C C . GLY H 95 ? 0.5302 0.3386 0.4421 0.0460 0.0333 0.0517 94 GLY H C 10776 O O . GLY H 95 ? 0.5477 0.3269 0.4409 0.0286 0.0307 0.0527 94 GLY H O 10777 N N . ASP H 96 ? 0.5443 0.3592 0.4482 0.0518 0.0389 0.0429 95 ASP H N 10778 C CA . ASP H 96 ? 0.5779 0.3637 0.4500 0.0359 0.0417 0.0333 95 ASP H CA 10779 C C . ASP H 96 ? 0.5419 0.3701 0.4327 0.0129 0.0414 0.0382 95 ASP H C 10780 O O . ASP H 96 ? 0.5031 0.3620 0.4228 0.0066 0.0372 0.0495 95 ASP H O 10781 C CB . ASP H 96 ? 0.6231 0.3872 0.4689 0.0562 0.0480 0.0181 95 ASP H CB 10782 C CG . ASP H 96 ? 0.5965 0.4205 0.4702 0.0712 0.0534 0.0170 95 ASP H CG 10783 O OD1 . ASP H 96 ? 0.6238 0.4465 0.4882 0.0996 0.0583 0.0067 95 ASP H OD1 10784 O OD2 . ASP H 96 ? 0.5584 0.4310 0.4607 0.0551 0.0525 0.0267 95 ASP H OD2 10785 N N . GLU H 97 ? 0.5609 0.3892 0.4328 0.0023 0.0451 0.0295 96 GLU H N 10786 C CA . GLU H 97 ? 0.5338 0.4036 0.4197 -0.0180 0.0433 0.0356 96 GLU H CA 10787 C C . GLU H 97 ? 0.4927 0.4128 0.4127 -0.0102 0.0431 0.0461 96 GLU H C 10788 O O . GLU H 97 ? 0.4677 0.4187 0.4034 -0.0224 0.0387 0.0565 96 GLU H O 10789 C CB . GLU H 97 ? 0.5706 0.4287 0.4230 -0.0344 0.0466 0.0233 96 GLU H CB 10790 C CG . GLU H 97 ? 0.6053 0.4582 0.4408 -0.0183 0.0545 0.0094 96 GLU H CG 10791 C CD . GLU H 97 ? 0.6753 0.4641 0.4747 0.0000 0.0581 -0.0060 96 GLU H CD 10792 O OE1 . GLU H 97 ? 0.7148 0.4981 0.4975 0.0186 0.0652 -0.0206 96 GLU H OE1 10793 O OE2 . GLU H 97 ? 0.6978 0.4411 0.4826 -0.0028 0.0536 -0.0036 96 GLU H OE2 10794 N N . GLY H 98 ? 0.4909 0.4193 0.4195 0.0097 0.0469 0.0442 97 GLY H N 10795 C CA . GLY H 98 ? 0.4612 0.4360 0.4171 0.0118 0.0466 0.0548 97 GLY H CA 10796 C C . GLY H 98 ? 0.4311 0.4130 0.4130 0.0093 0.0393 0.0689 97 GLY H C 10797 O O . GLY H 98 ? 0.4296 0.3863 0.4112 0.0105 0.0359 0.0689 97 GLY H O 10798 N N . TYR H 99 ? 0.4138 0.4272 0.4137 0.0037 0.0369 0.0806 98 TYR H N 10799 C CA . TYR H 99 ? 0.3954 0.4073 0.4138 0.0001 0.0294 0.0923 98 TYR H CA 10800 C C . TYR H 99 ? 0.3922 0.4024 0.4204 0.0106 0.0293 0.0907 98 TYR H C 10801 O O . TYR H 99 ? 0.3872 0.3835 0.4236 0.0094 0.0238 0.0946 98 TYR H O 10802 C CB . TYR H 99 ? 0.3904 0.4228 0.4164 -0.0130 0.0246 0.1071 98 TYR H CB 10803 C CG . TYR H 99 ? 0.3880 0.4563 0.4146 -0.0184 0.0293 0.1099 98 TYR H CG 10804 C CD1 . TYR H 99 ? 0.3911 0.4817 0.4072 -0.0275 0.0322 0.1120 98 TYR H CD1 10805 C CD2 . TYR H 99 ? 0.3764 0.4646 0.4138 -0.0165 0.0307 0.1107 98 TYR H CD2 10806 C CE1 . TYR H 99 ? 0.3978 0.5301 0.4137 -0.0344 0.0375 0.1143 98 TYR H CE1 10807 C CE2 . TYR H 99 ? 0.3772 0.5116 0.4164 -0.0236 0.0356 0.1132 98 TYR H CE2 10808 C CZ . TYR H 99 ? 0.3905 0.5468 0.4187 -0.0324 0.0395 0.1148 98 TYR H CZ 10809 O OH . TYR H 99 ? 0.3951 0.6051 0.4243 -0.0411 0.0455 0.1169 98 TYR H OH 10810 N N . THR H 100 ? 0.3992 0.4278 0.4260 0.0226 0.0352 0.0840 99 THR H N 10811 C CA . THR H 100 ? 0.3962 0.4361 0.4339 0.0336 0.0341 0.0840 99 THR H CA 10812 C C . THR H 100 ? 0.4017 0.4039 0.4329 0.0430 0.0309 0.0803 99 THR H C 10813 O O . THR H 100 ? 0.4229 0.3933 0.4345 0.0509 0.0334 0.0723 99 THR H O 10814 C CB . THR H 100 ? 0.4079 0.4833 0.4456 0.0514 0.0412 0.0765 99 THR H CB 10815 O OG1 . THR H 100 ? 0.4080 0.5283 0.4518 0.0384 0.0447 0.0810 99 THR H OG1 10816 C CG2 . THR H 100 ? 0.4027 0.5009 0.4541 0.0634 0.0385 0.0784 99 THR H CG2 10817 N N . GLN H 101 ? 0.3891 0.3929 0.4326 0.0385 0.0251 0.0863 100 GLN H N 10818 C CA . GLN H 101 ? 0.3932 0.3723 0.4314 0.0467 0.0219 0.0843 100 GLN H CA 10819 C C . GLN H 101 ? 0.3944 0.4015 0.4418 0.0596 0.0204 0.0856 100 GLN H C 10820 O O . GLN H 101 ? 0.3819 0.4282 0.4451 0.0515 0.0191 0.0904 100 GLN H O 10821 C CB . GLN H 101 ? 0.3816 0.3462 0.4250 0.0330 0.0165 0.0880 100 GLN H CB 10822 C CG . GLN H 101 ? 0.3850 0.3327 0.4221 0.0239 0.0170 0.0872 100 GLN H CG 10823 C CD . GLN H 101 ? 0.3845 0.3230 0.4266 0.0177 0.0124 0.0882 100 GLN H CD 10824 O OE1 . GLN H 101 ? 0.3837 0.3214 0.4302 0.0183 0.0093 0.0880 100 GLN H OE1 10825 N NE2 . GLN H 101 ? 0.3872 0.3233 0.4278 0.0130 0.0120 0.0883 100 GLN H NE2 10826 N N . TYR H 102 ? 0.4149 0.4028 0.4496 0.0785 0.0197 0.0825 101 TYR H N 10827 C CA . TYR H 102 ? 0.4217 0.4396 0.4635 0.0976 0.0173 0.0841 101 TYR H CA 10828 C C . TYR H 102 ? 0.4200 0.4268 0.4614 0.0943 0.0098 0.0895 101 TYR H C 10829 O O . TYR H 102 ? 0.4415 0.4043 0.4630 0.0981 0.0078 0.0893 101 TYR H O 10830 C CB . TYR H 102 ? 0.4563 0.4573 0.4791 0.1284 0.0208 0.0772 101 TYR H CB 10831 C CG . TYR H 102 ? 0.4638 0.4790 0.4837 0.1341 0.0294 0.0688 101 TYR H CG 10832 C CD1 . TYR H 102 ? 0.4591 0.5373 0.4956 0.1478 0.0335 0.0666 101 TYR H CD1 10833 C CD2 . TYR H 102 ? 0.4762 0.4492 0.4759 0.1240 0.0334 0.0625 101 TYR H CD2 10834 C CE1 . TYR H 102 ? 0.4678 0.5645 0.5000 0.1524 0.0423 0.0576 101 TYR H CE1 10835 C CE2 . TYR H 102 ? 0.4848 0.4725 0.4789 0.1276 0.0413 0.0537 101 TYR H CE2 10836 C CZ . TYR H 102 ? 0.4838 0.5321 0.4937 0.1424 0.0460 0.0510 101 TYR H CZ 10837 O OH . TYR H 102 ? 0.5002 0.5682 0.5032 0.1453 0.0547 0.0412 101 TYR H OH 10838 N N . PHE H 103 ? 0.4000 0.4474 0.4600 0.0836 0.0055 0.0942 102 PHE H N 10839 C CA . PHE H 103 ? 0.3937 0.4338 0.4528 0.0744 -0.0013 0.0975 102 PHE H CA 10840 C C . PHE H 103 ? 0.4098 0.4633 0.4643 0.0953 -0.0069 0.1018 102 PHE H C 10841 O O . PHE H 103 ? 0.4152 0.5087 0.4781 0.1153 -0.0070 0.1032 102 PHE H O 10842 C CB . PHE H 103 ? 0.3762 0.4426 0.4500 0.0486 -0.0044 0.0991 102 PHE H CB 10843 C CG . PHE H 103 ? 0.3676 0.4050 0.4395 0.0305 -0.0022 0.0967 102 PHE H CG 10844 C CD1 . PHE H 103 ? 0.3636 0.4099 0.4401 0.0248 0.0018 0.0980 102 PHE H CD1 10845 C CD2 . PHE H 103 ? 0.3671 0.3721 0.4316 0.0214 -0.0044 0.0935 102 PHE H CD2 10846 C CE1 . PHE H 103 ? 0.3665 0.3859 0.4397 0.0115 0.0021 0.0981 102 PHE H CE1 10847 C CE2 . PHE H 103 ? 0.3623 0.3440 0.4253 0.0113 -0.0032 0.0913 102 PHE H CE2 10848 C CZ . PHE H 103 ? 0.3678 0.3546 0.4348 0.0070 -0.0007 0.0948 102 PHE H CZ 10849 N N . GLY H 104 ? 0.4178 0.4421 0.4586 0.0916 -0.0117 0.1044 103 GLY H N 10850 C CA . GLY H 104 ? 0.4348 0.4699 0.4685 0.1075 -0.0195 0.1115 103 GLY H CA 10851 C C . GLY H 104 ? 0.4198 0.5112 0.4722 0.0943 -0.0255 0.1142 103 GLY H C 10852 O O . GLY H 104 ? 0.3997 0.5096 0.4658 0.0700 -0.0236 0.1100 103 GLY H O 10853 N N . PRO H 105 ? 0.4359 0.5520 0.4852 0.1086 -0.0339 0.1219 104 PRO H N 10854 C CA . PRO H 105 ? 0.4233 0.6030 0.4893 0.0951 -0.0406 0.1246 104 PRO H CA 10855 C C . PRO H 105 ? 0.4158 0.5835 0.4761 0.0623 -0.0436 0.1206 104 PRO H C 10856 O O . PRO H 105 ? 0.4092 0.6214 0.4794 0.0420 -0.0485 0.1197 104 PRO H O 10857 C CB . PRO H 105 ? 0.4473 0.6538 0.5084 0.1265 -0.0494 0.1353 104 PRO H CB 10858 C CG . PRO H 105 ? 0.4769 0.6101 0.5081 0.1431 -0.0498 0.1391 104 PRO H CG 10859 C CD . PRO H 105 ? 0.4711 0.5535 0.4967 0.1362 -0.0389 0.1299 104 PRO H CD 10860 N N . GLY H 106 ? 0.4202 0.5313 0.4627 0.0563 -0.0406 0.1171 105 GLY H N 10861 C CA . GLY H 106 ? 0.4206 0.5188 0.4558 0.0301 -0.0415 0.1097 105 GLY H CA 10862 C C . GLY H 106 ? 0.4400 0.5408 0.4584 0.0292 -0.0486 0.1145 105 GLY H C 10863 O O . GLY H 106 ? 0.4549 0.5836 0.4714 0.0452 -0.0564 0.1258 105 GLY H O 10864 N N . THR H 107 ? 0.4439 0.5191 0.4495 0.0121 -0.0460 0.1061 106 THR H N 10865 C CA . THR H 107 ? 0.4623 0.5414 0.4489 0.0057 -0.0515 0.1091 106 THR H CA 10866 C C . THR H 107 ? 0.4638 0.5534 0.4481 -0.0196 -0.0512 0.0939 106 THR H C 10867 O O . THR H 107 ? 0.4588 0.5228 0.4437 -0.0285 -0.0439 0.0801 106 THR H O 10868 C CB . THR H 107 ? 0.4746 0.5118 0.4397 0.0090 -0.0473 0.1124 106 THR H CB 10869 O OG1 . THR H 107 ? 0.4886 0.5029 0.4469 0.0312 -0.0485 0.1254 106 THR H OG1 10870 C CG2 . THR H 107 ? 0.4959 0.5411 0.4388 -0.0018 -0.0525 0.1163 106 THR H CG2 10871 N N . ARG H 108 ? 0.4755 0.6019 0.4549 -0.0296 -0.0598 0.0959 107 ARG H N 10872 C CA . ARG H 108 ? 0.4876 0.6182 0.4561 -0.0543 -0.0601 0.0796 107 ARG H CA 10873 C C . ARG H 108 ? 0.5003 0.6202 0.4463 -0.0568 -0.0585 0.0780 107 ARG H C 10874 O O . ARG H 108 ? 0.5129 0.6463 0.4477 -0.0491 -0.0648 0.0940 107 ARG H O 10875 C CB . ARG H 108 ? 0.5003 0.6801 0.4706 -0.0701 -0.0704 0.0808 107 ARG H CB 10876 C CG . ARG H 108 ? 0.4996 0.7134 0.4924 -0.0663 -0.0741 0.0896 107 ARG H CG 10877 C CD . ARG H 108 ? 0.5344 0.7924 0.5263 -0.0958 -0.0822 0.0837 107 ARG H CD 10878 N NE . ARG H 108 ? 0.5387 0.8621 0.5509 -0.0901 -0.0894 0.0980 107 ARG H NE 10879 C CZ . ARG H 108 ? 0.5319 0.8685 0.5634 -0.0880 -0.0860 0.1009 107 ARG H CZ 10880 N NH1 . ARG H 108 ? 0.5246 0.8075 0.5567 -0.0914 -0.0766 0.0924 107 ARG H NH1 10881 N NH2 . ARG H 108 ? 0.5204 0.9306 0.5708 -0.0815 -0.0923 0.1129 107 ARG H NH2 10882 N N . LEU H 109 ? 0.5019 0.5988 0.4396 -0.0665 -0.0503 0.0591 108 LEU H N 10883 C CA . LEU H 109 ? 0.5144 0.6126 0.4307 -0.0731 -0.0471 0.0537 108 LEU H CA 10884 C C . LEU H 109 ? 0.5338 0.6421 0.4368 -0.0916 -0.0469 0.0313 108 LEU H C 10885 O O . LEU H 109 ? 0.5401 0.6280 0.4474 -0.0959 -0.0438 0.0137 108 LEU H O 10886 C CB . LEU H 109 ? 0.5054 0.5766 0.4219 -0.0652 -0.0360 0.0489 108 LEU H CB 10887 C CG . LEU H 109 ? 0.5160 0.5963 0.4128 -0.0740 -0.0294 0.0389 108 LEU H CG 10888 C CD1 . LEU H 109 ? 0.5272 0.6191 0.4035 -0.0794 -0.0343 0.0595 108 LEU H CD1 10889 C CD2 . LEU H 109 ? 0.5020 0.5672 0.4065 -0.0667 -0.0180 0.0278 108 LEU H CD2 10890 N N . LEU H 110 ? 0.5510 0.6863 0.4335 -0.1031 -0.0509 0.0319 109 LEU H N 10891 C CA . LEU H 110 ? 0.5752 0.7187 0.4387 -0.1207 -0.0492 0.0073 109 LEU H CA 10892 C C . LEU H 110 ? 0.5882 0.7434 0.4314 -0.1236 -0.0421 0.0008 109 LEU H C 10893 O O . LEU H 110 ? 0.5925 0.7694 0.4244 -0.1264 -0.0466 0.0207 109 LEU H O 10894 C CB . LEU H 110 ? 0.5919 0.7701 0.4467 -0.1391 -0.0616 0.0105 109 LEU H CB 10895 C CG . LEU H 110 ? 0.6246 0.8133 0.4524 -0.1618 -0.0617 -0.0149 109 LEU H CG 10896 C CD1 . LEU H 110 ? 0.6422 0.7860 0.4645 -0.1653 -0.0544 -0.0453 109 LEU H CD1 10897 C CD2 . LEU H 110 ? 0.6351 0.8676 0.4560 -0.1817 -0.0759 -0.0063 109 LEU H CD2 10898 N N . VAL H 111 ? 0.5993 0.7409 0.4360 -0.1222 -0.0313 -0.0264 110 VAL H N 10899 C CA . VAL H 111 ? 0.6123 0.7768 0.4301 -0.1259 -0.0225 -0.0378 110 VAL H CA 10900 C C . VAL H 111 ? 0.6479 0.8260 0.4409 -0.1403 -0.0221 -0.0653 110 VAL H C 10901 O O . VAL H 111 ? 0.6669 0.8154 0.4570 -0.1372 -0.0195 -0.0909 110 VAL H O 10902 C CB . VAL H 111 ? 0.6012 0.7528 0.4302 -0.1087 -0.0092 -0.0497 110 VAL H CB 10903 C CG1 . VAL H 111 ? 0.6152 0.8058 0.4261 -0.1146 0.0005 -0.0599 110 VAL H CG1 10904 C CG2 . VAL H 111 ? 0.5718 0.7064 0.4219 -0.0981 -0.0102 -0.0247 110 VAL H CG2 10905 N N . LEU H 112 ? 0.6624 0.8808 0.4332 -0.1571 -0.0254 -0.0594 111 LEU H N 10906 C CA . LEU H 112 ? 0.7003 0.9384 0.4428 -0.1740 -0.0252 -0.0851 111 LEU H CA 10907 C C . LEU H 112 ? 0.7191 0.9840 0.4436 -0.1726 -0.0111 -0.1060 111 LEU H C 10908 O O . LEU H 112 ? 0.7010 0.9840 0.4315 -0.1674 -0.0047 -0.0917 111 LEU H O 10909 C CB . LEU H 112 ? 0.7095 0.9847 0.4373 -0.1955 -0.0398 -0.0644 111 LEU H CB 10910 C CG . LEU H 112 ? 0.6980 0.9697 0.4404 -0.2000 -0.0549 -0.0460 111 LEU H CG 10911 C CD1 . LEU H 112 ? 0.7006 1.0192 0.4316 -0.2120 -0.0691 -0.0175 111 LEU H CD1 10912 C CD2 . LEU H 112 ? 0.7252 0.9783 0.4590 -0.2143 -0.0573 -0.0739 111 LEU H CD2 10913 N N . GLU H 113 ? 0.7596 1.0286 0.4596 -0.1788 -0.0062 -0.1411 112 GLU H N 10914 C CA . GLU H 113 ? 0.7848 1.0925 0.4643 -0.1782 0.0074 -0.1647 112 GLU H CA 10915 C C . GLU H 113 ? 0.7868 1.1519 0.4473 -0.2025 0.0033 -0.1414 112 GLU H C 10916 O O . GLU H 113 ? 0.7839 1.1876 0.4391 -0.2040 0.0131 -0.1378 112 GLU H O 10917 C CB . GLU H 113 ? 0.8375 1.1300 0.4893 -0.1780 0.0125 -0.2099 112 GLU H CB 10918 C CG . GLU H 113 ? 0.8547 1.0843 0.5157 -0.1501 0.0183 -0.2365 112 GLU H CG 10919 N N . ASP H 114 ? 0.6920 1.2548 0.9007 0.3266 0.1728 0.0098 113 ASP H N 10920 C CA . ASP H 114 ? 0.6932 1.2698 0.8545 0.2949 0.1780 0.0038 113 ASP H CA 10921 C C . ASP H 114 ? 0.6788 1.1824 0.7942 0.2665 0.1568 0.0048 113 ASP H C 10922 O O . ASP H 114 ? 0.6815 1.1196 0.7946 0.2773 0.1455 -0.0041 113 ASP H O 10923 C CB . ASP H 114 ? 0.7366 1.3275 0.8812 0.3150 0.2050 -0.0314 113 ASP H CB 10924 C CG . ASP H 114 ? 0.7440 1.3920 0.8567 0.2885 0.2173 -0.0267 113 ASP H CG 10925 O OD1 . ASP H 114 ? 0.7235 1.3819 0.8228 0.2519 0.2039 0.0022 113 ASP H OD1 10926 O OD2 . ASP H 114 ? 0.7807 1.4637 0.8824 0.3043 0.2418 -0.0523 113 ASP H OD2 10927 N N . LEU H 115 ? 0.6673 1.1832 0.7499 0.2306 0.1522 0.0179 114 LEU H N 10928 C CA . LEU H 115 ? 0.6572 1.1101 0.6985 0.2046 0.1336 0.0210 114 LEU H CA 10929 C C . LEU H 115 ? 0.6851 1.1186 0.6788 0.2018 0.1426 -0.0010 114 LEU H C 10930 O O . LEU H 115 ? 0.6787 1.0819 0.6362 0.1772 0.1313 0.0070 114 LEU H O 10931 C CB . LEU H 115 ? 0.6324 1.1020 0.6707 0.1671 0.1215 0.0508 114 LEU H CB 10932 C CG . LEU H 115 ? 0.6080 1.1107 0.6880 0.1599 0.1108 0.0724 114 LEU H CG 10933 C CD1 . LEU H 115 ? 0.5992 1.1319 0.6765 0.1201 0.1076 0.0940 114 LEU H CD1 10934 C CD2 . LEU H 115 ? 0.5875 1.0389 0.6737 0.1647 0.0894 0.0749 114 LEU H CD2 10935 N N . ARG H 116 ? 0.7192 1.1732 0.7144 0.2282 0.1630 -0.0296 115 ARG H N 10936 C CA . ARG H 116 ? 0.7528 1.2072 0.7024 0.2266 0.1741 -0.0548 115 ARG H CA 10937 C C . ARG H 116 ? 0.7584 1.1403 0.6740 0.2204 0.1575 -0.0712 115 ARG H C 10938 O O . ARG H 116 ? 0.7701 1.1517 0.6411 0.2026 0.1549 -0.0729 115 ARG H O 10939 C CB . ARG H 116 ? 0.7910 1.2833 0.7536 0.2588 0.2008 -0.0891 115 ARG H CB 10940 N N . ASN H 117 ? 0.7519 1.0775 0.6907 0.2347 0.1462 -0.0799 116 ASN H N 10941 C CA . ASN H 117 ? 0.7610 1.0203 0.6752 0.2305 0.1321 -0.0984 116 ASN H CA 10942 C C . ASN H 117 ? 0.7254 0.9475 0.6240 0.2042 0.1076 -0.0707 116 ASN H C 10943 O O . ASN H 117 ? 0.7322 0.9152 0.6019 0.1944 0.0964 -0.0817 116 ASN H O 10944 C CB . ASN H 117 ? 0.7802 0.9932 0.7286 0.2580 0.1342 -0.1214 116 ASN H CB 10945 C CG . ASN H 117 ? 0.8338 1.0688 0.7943 0.2862 0.1598 -0.1596 116 ASN H CG 10946 O OD1 . ASN H 117 ? 0.8745 1.1295 0.7991 0.2828 0.1711 -0.1891 116 ASN H OD1 10947 N ND2 . ASN H 117 ? 0.8480 1.0820 0.8602 0.3156 0.1695 -0.1595 116 ASN H ND2 10948 N N . VAL H 118 ? 0.6905 0.9284 0.6097 0.1927 0.0999 -0.0374 117 VAL H N 10949 C CA . VAL H 118 ? 0.6584 0.8619 0.5688 0.1700 0.0786 -0.0138 117 VAL H CA 10950 C C . VAL H 118 ? 0.6649 0.8508 0.5304 0.1505 0.0716 -0.0135 117 VAL H C 10951 O O . VAL H 118 ? 0.6782 0.9009 0.5218 0.1402 0.0809 -0.0069 117 VAL H O 10952 C CB . VAL H 118 ? 0.6304 0.8677 0.5629 0.1545 0.0751 0.0168 117 VAL H CB 10953 C CG1 . VAL H 118 ? 0.6051 0.8054 0.5271 0.1313 0.0554 0.0348 117 VAL H CG1 10954 C CG2 . VAL H 118 ? 0.6197 0.8808 0.5984 0.1743 0.0782 0.0205 117 VAL H CG2 10955 N N . THR H 119 ? 0.6574 0.7915 0.5117 0.1463 0.0556 -0.0178 118 THR H N 10956 C CA . THR H 119 ? 0.6667 0.7855 0.4825 0.1316 0.0472 -0.0175 118 THR H CA 10957 C C . THR H 119 ? 0.6436 0.7147 0.4591 0.1210 0.0273 -0.0055 118 THR H C 10958 O O . THR H 119 ? 0.6341 0.6735 0.4699 0.1294 0.0203 -0.0125 118 THR H O 10959 C CB . THR H 119 ? 0.7032 0.8245 0.4944 0.1415 0.0540 -0.0519 118 THR H CB 10960 O OG1 . THR H 119 ? 0.7128 0.8219 0.4699 0.1274 0.0417 -0.0494 118 THR H OG1 10961 C CG2 . THR H 119 ? 0.7155 0.8003 0.5302 0.1597 0.0543 -0.0803 118 THR H CG2 10962 N N . PRO H 120 ? 0.6378 0.7055 0.4325 0.1036 0.0196 0.0145 119 PRO H N 10963 C CA . PRO H 120 ? 0.6192 0.6469 0.4129 0.0944 0.0029 0.0255 119 PRO H CA 10964 C C . PRO H 120 ? 0.6265 0.6256 0.4091 0.0998 -0.0066 0.0057 119 PRO H C 10965 O O . PRO H 120 ? 0.6534 0.6649 0.4191 0.1055 -0.0015 -0.0158 119 PRO H O 10966 C CB . PRO H 120 ? 0.6245 0.6613 0.3987 0.0791 0.0018 0.0497 119 PRO H CB 10967 C CG . PRO H 120 ? 0.6384 0.7193 0.4124 0.0760 0.0175 0.0585 119 PRO H CG 10968 C CD . PRO H 120 ? 0.6526 0.7567 0.4265 0.0927 0.0282 0.0310 119 PRO H CD 10969 N N . PRO H 121 ? 0.6073 0.5720 0.3994 0.0962 -0.0198 0.0113 120 PRO H N 10970 C CA . PRO H 121 ? 0.6152 0.5552 0.4010 0.0978 -0.0293 -0.0048 120 PRO H CA 10971 C C . PRO H 121 ? 0.6259 0.5718 0.3839 0.0890 -0.0375 0.0002 120 PRO H C 10972 O O . PRO H 121 ? 0.6215 0.5786 0.3697 0.0822 -0.0380 0.0232 120 PRO H O 10973 C CB . PRO H 121 ? 0.5906 0.5016 0.3992 0.0967 -0.0386 0.0050 120 PRO H CB 10974 C CG . PRO H 121 ? 0.5714 0.4910 0.3847 0.0890 -0.0383 0.0276 120 PRO H CG 10975 C CD . PRO H 121 ? 0.5817 0.5337 0.3924 0.0896 -0.0256 0.0305 120 PRO H CD 10976 N N . LYS H 122 ? 0.6427 0.5823 0.3914 0.0890 -0.0439 -0.0205 121 LYS H N 10977 C CA . LYS H 122 ? 0.6510 0.5987 0.3792 0.0813 -0.0556 -0.0150 121 LYS H CA 10978 C C . LYS H 122 ? 0.6343 0.5512 0.3801 0.0783 -0.0677 -0.0145 121 LYS H C 10979 O O . LYS H 122 ? 0.6402 0.5356 0.4027 0.0799 -0.0681 -0.0334 121 LYS H O 10980 C CB . LYS H 122 ? 0.6856 0.6616 0.3881 0.0799 -0.0550 -0.0407 121 LYS H CB 10981 C CG . LYS H 122 ? 0.7131 0.7307 0.3929 0.0821 -0.0425 -0.0379 121 LYS H CG 10982 C CD . LYS H 122 ? 0.7577 0.8171 0.4024 0.0772 -0.0463 -0.0521 121 LYS H CD 10983 C CE . LYS H 122 ? 0.7869 0.8953 0.4065 0.0782 -0.0338 -0.0394 121 LYS H CE 10984 N NZ . LYS H 122 ? 0.8298 0.9906 0.4108 0.0735 -0.0370 -0.0540 121 LYS H NZ 10985 N N . VAL H 123 ? 0.6177 0.5322 0.3626 0.0745 -0.0762 0.0083 122 VAL H N 10986 C CA . VAL H 123 ? 0.5971 0.4886 0.3602 0.0724 -0.0854 0.0122 122 VAL H CA 10987 C C . VAL H 123 ? 0.6054 0.5112 0.3587 0.0679 -0.0977 0.0133 122 VAL H C 10988 O O . VAL H 123 ? 0.6130 0.5386 0.3522 0.0689 -0.1007 0.0314 122 VAL H O 10989 C CB . VAL H 123 ? 0.5734 0.4503 0.3502 0.0733 -0.0837 0.0342 122 VAL H CB 10990 C CG1 . VAL H 123 ? 0.5591 0.4192 0.3530 0.0719 -0.0913 0.0366 122 VAL H CG1 10991 C CG2 . VAL H 123 ? 0.5661 0.4391 0.3539 0.0759 -0.0735 0.0337 122 VAL H CG2 10992 N N . SER H 124 ? 0.6081 0.5058 0.3719 0.0626 -0.1046 -0.0038 123 SER H N 10993 C CA . SER H 124 ? 0.6131 0.5293 0.3741 0.0564 -0.1176 -0.0036 123 SER H CA 10994 C C . SER H 124 ? 0.5936 0.4917 0.3801 0.0540 -0.1227 0.0035 123 SER H C 10995 O O . SER H 124 ? 0.5853 0.4572 0.3905 0.0531 -0.1181 -0.0019 123 SER H O 10996 C CB . SER H 124 ? 0.6421 0.5747 0.3922 0.0472 -0.1220 -0.0342 123 SER H CB 10997 O OG . SER H 124 ? 0.6677 0.6296 0.3894 0.0493 -0.1177 -0.0403 123 SER H OG 10998 N N . LEU H 125 ? 0.5888 0.5058 0.3773 0.0542 -0.1317 0.0183 124 LEU H N 10999 C CA . LEU H 125 ? 0.5719 0.4820 0.3839 0.0524 -0.1356 0.0256 124 LEU H CA 11000 C C . LEU H 125 ? 0.5836 0.5201 0.4014 0.0415 -0.1479 0.0158 124 LEU H C 11001 O O . LEU H 125 ? 0.5969 0.5685 0.4013 0.0416 -0.1564 0.0191 124 LEU H O 11002 C CB . LEU H 125 ? 0.5582 0.4685 0.3749 0.0636 -0.1334 0.0500 124 LEU H CB 11003 C CG . LEU H 125 ? 0.5423 0.4512 0.3816 0.0649 -0.1345 0.0578 124 LEU H CG 11004 C CD1 . LEU H 125 ? 0.5401 0.4274 0.3930 0.0587 -0.1292 0.0502 124 LEU H CD1 11005 C CD2 . LEU H 125 ? 0.5326 0.4362 0.3751 0.0777 -0.1291 0.0753 124 LEU H CD2 11006 N N . PHE H 126 ? 0.5816 0.5049 0.4209 0.0310 -0.1489 0.0061 125 PHE H N 11007 C CA . PHE H 126 ? 0.5943 0.5405 0.4444 0.0153 -0.1599 -0.0068 125 PHE H CA 11008 C C . PHE H 126 ? 0.5780 0.5398 0.4518 0.0146 -0.1638 0.0107 125 PHE H C 11009 O O . PHE H 126 ? 0.5640 0.5042 0.4553 0.0156 -0.1566 0.0195 125 PHE H O 11010 C CB . PHE H 126 ? 0.6129 0.5312 0.4737 0.0007 -0.1570 -0.0330 125 PHE H CB 11011 C CG . PHE H 126 ? 0.6334 0.5443 0.4720 0.0016 -0.1527 -0.0566 125 PHE H CG 11012 C CD1 . PHE H 126 ? 0.6222 0.5081 0.4521 0.0157 -0.1403 -0.0525 125 PHE H CD1 11013 C CD2 . PHE H 126 ? 0.6655 0.6011 0.4919 -0.0122 -0.1607 -0.0847 125 PHE H CD2 11014 C CE1 . PHE H 126 ? 0.6455 0.5308 0.4563 0.0180 -0.1344 -0.0745 125 PHE H CE1 11015 C CE2 . PHE H 126 ? 0.6859 0.6202 0.4896 -0.0106 -0.1548 -0.1099 125 PHE H CE2 11016 C CZ . PHE H 126 ? 0.6755 0.5844 0.4721 0.0055 -0.1408 -0.1041 125 PHE H CZ 11017 N N . GLU H 127 ? 0.5817 0.5878 0.4559 0.0139 -0.1749 0.0169 126 GLU H N 11018 C CA . GLU H 127 ? 0.5679 0.6002 0.4656 0.0166 -0.1783 0.0341 126 GLU H CA 11019 C C . GLU H 127 ? 0.5711 0.6074 0.4957 -0.0048 -0.1814 0.0241 126 GLU H C 11020 O O . GLU H 127 ? 0.5941 0.6278 0.5190 -0.0242 -0.1869 0.0013 126 GLU H O 11021 C CB . GLU H 127 ? 0.5753 0.6597 0.4687 0.0246 -0.1897 0.0464 126 GLU H CB 11022 C CG . GLU H 127 ? 0.5817 0.6612 0.4580 0.0481 -0.1848 0.0669 126 GLU H CG 11023 C CD . GLU H 127 ? 0.6133 0.7459 0.4882 0.0586 -0.1963 0.0853 126 GLU H CD 11024 O OE1 . GLU H 127 ? 0.6217 0.8011 0.5141 0.0511 -0.2079 0.0855 126 GLU H OE1 11025 O OE2 . GLU H 127 ? 0.6301 0.7606 0.4885 0.0743 -0.1937 0.1025 126 GLU H OE2 11026 N N . PRO H 128 ? 0.5520 0.5949 0.5002 -0.0023 -0.1766 0.0400 127 PRO H N 11027 C CA . PRO H 128 ? 0.5555 0.6058 0.5332 -0.0228 -0.1775 0.0382 127 PRO H CA 11028 C C . PRO H 128 ? 0.5736 0.6670 0.5646 -0.0439 -0.1921 0.0257 127 PRO H C 11029 O O . PRO H 128 ? 0.5744 0.7123 0.5577 -0.0369 -0.2025 0.0286 127 PRO H O 11030 C CB . PRO H 128 ? 0.5331 0.6033 0.5271 -0.0099 -0.1702 0.0605 127 PRO H CB 11031 C CG . PRO H 128 ? 0.5195 0.5642 0.4923 0.0137 -0.1610 0.0679 127 PRO H CG 11032 C CD . PRO H 128 ? 0.5300 0.5708 0.4777 0.0202 -0.1675 0.0600 127 PRO H CD 11033 N N . SER H 129 ? 0.5914 0.6725 0.6043 -0.0703 -0.1929 0.0133 128 SER H N 11034 C CA . SER H 129 ? 0.6131 0.7332 0.6438 -0.0974 -0.2066 -0.0028 128 SER H CA 11035 C C . SER H 129 ? 0.5981 0.7782 0.6577 -0.1002 -0.2112 0.0170 128 SER H C 11036 O O . SER H 129 ? 0.5791 0.7559 0.6572 -0.0947 -0.2004 0.0378 128 SER H O 11037 C CB . SER H 129 ? 0.6439 0.7209 0.6940 -0.1261 -0.2032 -0.0227 128 SER H CB 11038 O OG . SER H 129 ? 0.6705 0.7844 0.7453 -0.1576 -0.2153 -0.0386 128 SER H OG 11039 N N . LYS H 130 ? 0.6084 0.8499 0.6717 -0.1084 -0.2272 0.0105 129 LYS H N 11040 C CA . LYS H 130 ? 0.5985 0.9083 0.6943 -0.1128 -0.2333 0.0273 129 LYS H CA 11041 C C . LYS H 130 ? 0.6095 0.9157 0.7435 -0.1446 -0.2293 0.0258 129 LYS H C 11042 O O . LYS H 130 ? 0.5927 0.9336 0.7550 -0.1427 -0.2236 0.0478 129 LYS H O 11043 C CB . LYS H 130 ? 0.6121 0.9933 0.7056 -0.1195 -0.2539 0.0188 129 LYS H CB 11044 N N . ALA H 131 ? 0.6414 0.9046 0.7775 -0.1733 -0.2306 0.0000 130 ALA H N 11045 C CA . ALA H 131 ? 0.6628 0.9085 0.8372 -0.2064 -0.2255 -0.0008 130 ALA H CA 11046 C C . ALA H 131 ? 0.6458 0.8521 0.8298 -0.1936 -0.2061 0.0279 130 ALA H C 11047 O O . ALA H 131 ? 0.6464 0.8753 0.8651 -0.2092 -0.2006 0.0471 130 ALA H O 11048 C CB . ALA H 131 ? 0.7071 0.9029 0.8811 -0.2353 -0.2289 -0.0372 130 ALA H CB 11049 N N . GLU H 132 ? 0.6325 0.7872 0.7858 -0.1666 -0.1962 0.0319 131 GLU H N 11050 C CA . GLU H 132 ? 0.6165 0.7414 0.7731 -0.1526 -0.1793 0.0584 131 GLU H CA 11051 C C . GLU H 132 ? 0.5874 0.7691 0.7525 -0.1358 -0.1742 0.0845 131 GLU H C 11052 O O . GLU H 132 ? 0.5871 0.7804 0.7755 -0.1434 -0.1639 0.1062 131 GLU H O 11053 C CB . GLU H 132 ? 0.6068 0.6771 0.7282 -0.1268 -0.1719 0.0553 131 GLU H CB 11054 C CG . GLU H 132 ? 0.5959 0.6340 0.7217 -0.1181 -0.1564 0.0796 131 GLU H CG 11055 C CD . GLU H 132 ? 0.5693 0.5837 0.6611 -0.0872 -0.1497 0.0833 131 GLU H CD 11056 O OE1 . GLU H 132 ? 0.5646 0.5779 0.6299 -0.0728 -0.1556 0.0677 131 GLU H OE1 11057 O OE2 . GLU H 132 ? 0.5580 0.5589 0.6502 -0.0787 -0.1386 0.1033 131 GLU H OE2 11058 N N . ILE H 133 ? 0.5681 0.7856 0.7155 -0.1120 -0.1803 0.0828 132 ILE H N 11059 C CA . ILE H 133 ? 0.5444 0.8158 0.7015 -0.0913 -0.1749 0.1024 132 ILE H CA 11060 C C . ILE H 133 ? 0.5502 0.8815 0.7497 -0.1146 -0.1763 0.1133 132 ILE H C 11061 O O . ILE H 133 ? 0.5387 0.8964 0.7545 -0.1091 -0.1635 0.1331 132 ILE H O 11062 C CB . ILE H 133 ? 0.5341 0.8342 0.6733 -0.0648 -0.1837 0.0989 132 ILE H CB 11063 C CG1 . ILE H 133 ? 0.5299 0.7736 0.6299 -0.0416 -0.1792 0.0930 132 ILE H CG1 11064 C CG2 . ILE H 133 ? 0.5169 0.8754 0.6752 -0.0427 -0.1779 0.1172 132 ILE H CG2 11065 C CD1 . ILE H 133 ? 0.5340 0.7941 0.6144 -0.0235 -0.1900 0.0891 132 ILE H CD1 11066 N N . SER H 134 ? 0.5699 0.9268 0.7869 -0.1424 -0.1916 0.0988 133 SER H N 11067 C CA . SER H 134 ? 0.5775 0.9970 0.8383 -0.1696 -0.1953 0.1068 133 SER H CA 11068 C C . SER H 134 ? 0.5937 0.9857 0.8806 -0.1980 -0.1833 0.1191 133 SER H C 11069 O O . SER H 134 ? 0.5894 1.0320 0.9094 -0.2086 -0.1762 0.1397 133 SER H O 11070 C CB . SER H 134 ? 0.5996 1.0534 0.8702 -0.1955 -0.2166 0.0836 133 SER H CB 11071 O OG . SER H 134 ? 0.6092 1.1314 0.9253 -0.2241 -0.2215 0.0908 133 SER H OG 11072 N N . HIS H 135 ? 0.6140 0.9283 0.8880 -0.2086 -0.1800 0.1091 134 HIS H N 11073 C CA . HIS H 135 ? 0.6405 0.9199 0.9431 -0.2378 -0.1701 0.1222 134 HIS H CA 11074 C C . HIS H 135 ? 0.6256 0.8853 0.9208 -0.2189 -0.1511 0.1532 134 HIS H C 11075 O O . HIS H 135 ? 0.6388 0.9077 0.9641 -0.2386 -0.1409 0.1786 134 HIS H O 11076 C CB . HIS H 135 ? 0.6789 0.8848 0.9791 -0.2590 -0.1753 0.0957 134 HIS H CB 11077 C CG . HIS H 135 ? 0.7159 0.8814 1.0540 -0.2918 -0.1662 0.1086 134 HIS H CG 11078 N ND1 . HIS H 135 ? 0.7445 0.9440 1.1290 -0.3322 -0.1696 0.1116 134 HIS H ND1 11079 C CD2 . HIS H 135 ? 0.7351 0.8294 1.0752 -0.2903 -0.1536 0.1221 134 HIS H CD2 11080 C CE1 . HIS H 135 ? 0.7819 0.9274 1.1958 -0.3548 -0.1586 0.1272 134 HIS H CE1 11081 N NE2 . HIS H 135 ? 0.7760 0.8577 1.1638 -0.3284 -0.1489 0.1351 134 HIS H NE2 11082 N N . THR H 136 ? 0.6008 0.8380 0.8565 -0.1828 -0.1466 0.1520 135 THR H N 11083 C CA . THR H 136 ? 0.5911 0.8104 0.8340 -0.1651 -0.1305 0.1763 135 THR H CA 11084 C C . THR H 136 ? 0.5593 0.8257 0.7834 -0.1330 -0.1230 0.1839 135 THR H C 11085 O O . THR H 136 ? 0.5533 0.8240 0.7684 -0.1211 -0.1094 0.2026 135 THR H O 11086 C CB . THR H 136 ? 0.5975 0.7404 0.8123 -0.1529 -0.1287 0.1682 135 THR H CB 11087 O OG1 . THR H 136 ? 0.5775 0.7098 0.7578 -0.1287 -0.1364 0.1444 135 THR H OG1 11088 C CG2 . THR H 136 ? 0.6387 0.7266 0.8751 -0.1813 -0.1324 0.1593 135 THR H CG2 11089 N N . GLN H 137 ? 0.5453 0.8481 0.7645 -0.1187 -0.1316 0.1689 136 GLN H N 11090 C CA . GLN H 137 ? 0.5233 0.8575 0.7253 -0.0839 -0.1245 0.1701 136 GLN H CA 11091 C C . GLN H 137 ? 0.5156 0.7966 0.6789 -0.0600 -0.1180 0.1648 136 GLN H C 11092 O O . GLN H 137 ? 0.5043 0.8007 0.6545 -0.0369 -0.1065 0.1684 136 GLN H O 11093 C CB . GLN H 137 ? 0.5177 0.9182 0.7434 -0.0826 -0.1110 0.1900 136 GLN H CB 11094 C CG . GLN H 137 ? 0.5278 0.9967 0.7943 -0.1009 -0.1175 0.1946 136 GLN H CG 11095 C CD . GLN H 137 ? 0.5292 1.0240 0.7961 -0.0858 -0.1321 0.1787 136 GLN H CD 11096 O OE1 . GLN H 137 ? 0.5431 1.0539 0.8277 -0.1086 -0.1479 0.1707 136 GLN H OE1 11097 N NE2 . GLN H 137 ? 0.5156 1.0155 0.7638 -0.0478 -0.1269 0.1744 136 GLN H NE2 11098 N N . LYS H 138 ? 0.5269 0.7479 0.6740 -0.0669 -0.1250 0.1538 137 LYS H N 11099 C CA . LYS H 138 ? 0.5208 0.6918 0.6338 -0.0477 -0.1212 0.1473 137 LYS H CA 11100 C C . LYS H 138 ? 0.5250 0.6599 0.6199 -0.0449 -0.1333 0.1259 137 LYS H C 11101 O O . LYS H 138 ? 0.5414 0.6792 0.6492 -0.0638 -0.1444 0.1154 137 LYS H O 11102 C CB . LYS H 138 ? 0.5316 0.6690 0.6452 -0.0583 -0.1133 0.1621 137 LYS H CB 11103 C CG . LYS H 138 ? 0.5281 0.7021 0.6446 -0.0532 -0.0994 0.1838 137 LYS H CG 11104 C CD . LYS H 138 ? 0.5532 0.7157 0.6876 -0.0734 -0.0938 0.2091 137 LYS H CD 11105 C CE . LYS H 138 ? 0.5554 0.7750 0.6972 -0.0735 -0.0805 0.2335 137 LYS H CE 11106 N NZ . LYS H 138 ? 0.5871 0.8072 0.7572 -0.0987 -0.0757 0.2650 137 LYS H NZ 11107 N N . ALA H 139 ? 0.5150 0.6202 0.5801 -0.0233 -0.1309 0.1186 138 ALA H N 11108 C CA . ALA H 139 ? 0.5188 0.5980 0.5634 -0.0175 -0.1404 0.1012 138 ALA H CA 11109 C C . ALA H 139 ? 0.5197 0.5466 0.5406 -0.0102 -0.1357 0.0961 138 ALA H C 11110 O O . ALA H 139 ? 0.5078 0.5271 0.5152 0.0053 -0.1269 0.1020 138 ALA H O 11111 C CB . ALA H 139 ? 0.5091 0.6161 0.5451 0.0041 -0.1432 0.1000 138 ALA H CB 11112 N N . THR H 140 ? 0.5352 0.5299 0.5526 -0.0219 -0.1412 0.0827 139 THR H N 11113 C CA . THR H 140 ? 0.5391 0.4883 0.5397 -0.0150 -0.1361 0.0781 139 THR H CA 11114 C C . THR H 140 ? 0.5415 0.4777 0.5165 -0.0055 -0.1411 0.0609 139 THR H C 11115 O O . THR H 140 ? 0.5596 0.4989 0.5333 -0.0160 -0.1496 0.0445 139 THR H O 11116 C CB . THR H 140 ? 0.5635 0.4794 0.5830 -0.0320 -0.1340 0.0774 139 THR H CB 11117 O OG1 . THR H 140 ? 0.5703 0.5033 0.6169 -0.0450 -0.1301 0.0973 139 THR H OG1 11118 C CG2 . THR H 140 ? 0.5654 0.4435 0.5738 -0.0199 -0.1264 0.0806 139 THR H CG2 11119 N N . LEU H 141 ? 0.5280 0.4537 0.4829 0.0124 -0.1356 0.0646 140 LEU H N 11120 C CA . LEU H 141 ? 0.5299 0.4435 0.4606 0.0216 -0.1376 0.0535 140 LEU H CA 11121 C C . LEU H 141 ? 0.5383 0.4160 0.4636 0.0209 -0.1322 0.0457 140 LEU H C 11122 O O . LEU H 141 ? 0.5319 0.3954 0.4643 0.0238 -0.1251 0.0560 140 LEU H O 11123 C CB . LEU H 141 ? 0.5152 0.4347 0.4321 0.0395 -0.1331 0.0626 140 LEU H CB 11124 C CG . LEU H 141 ? 0.5082 0.4595 0.4315 0.0482 -0.1358 0.0712 140 LEU H CG 11125 C CD1 . LEU H 141 ? 0.4905 0.4600 0.4329 0.0479 -0.1302 0.0802 140 LEU H CD1 11126 C CD2 . LEU H 141 ? 0.5095 0.4516 0.4175 0.0650 -0.1316 0.0757 140 LEU H CD2 11127 N N . VAL H 142 ? 0.5561 0.4248 0.4693 0.0180 -0.1355 0.0278 141 VAL H N 11128 C CA . VAL H 142 ? 0.5690 0.4059 0.4799 0.0198 -0.1290 0.0170 141 VAL H CA 11129 C C . VAL H 142 ? 0.5695 0.4076 0.4540 0.0316 -0.1262 0.0111 141 VAL H C 11130 O O . VAL H 142 ? 0.5732 0.4328 0.4403 0.0317 -0.1320 0.0056 141 VAL H O 11131 C CB . VAL H 142 ? 0.5990 0.4194 0.5240 0.0043 -0.1314 -0.0042 141 VAL H CB 11132 C CG1 . VAL H 142 ? 0.6173 0.4068 0.5391 0.0107 -0.1232 -0.0201 141 VAL H CG1 11133 C CG2 . VAL H 142 ? 0.6010 0.4121 0.5576 -0.0081 -0.1309 0.0072 141 VAL H CG2 11134 N N . CYS H 143 ? 0.5672 0.3875 0.4505 0.0410 -0.1174 0.0157 142 CYS H N 11135 C CA . CYS H 143 ? 0.5703 0.3930 0.4329 0.0503 -0.1127 0.0122 142 CYS H CA 11136 C C . CYS H 143 ? 0.5873 0.3924 0.4521 0.0536 -0.1053 -0.0035 142 CYS H C 11137 O O . CYS H 143 ? 0.5909 0.3767 0.4757 0.0568 -0.1001 0.0005 142 CYS H O 11138 C CB . CYS H 143 ? 0.5486 0.3739 0.4090 0.0585 -0.1080 0.0302 142 CYS H CB 11139 S SG . CYS H 143 ? 0.5719 0.4010 0.4130 0.0659 -0.1009 0.0291 142 CYS H SG 11140 N N . LEU H 144 ? 0.6025 0.4180 0.4474 0.0546 -0.1041 -0.0199 143 LEU H N 11141 C CA . LEU H 144 ? 0.6224 0.4262 0.4679 0.0604 -0.0947 -0.0388 143 LEU H CA 11142 C C . LEU H 144 ? 0.6148 0.4347 0.4434 0.0702 -0.0869 -0.0325 143 LEU H C 11143 O O . LEU H 144 ? 0.6175 0.4616 0.4222 0.0687 -0.0891 -0.0297 143 LEU H O 11144 C CB . LEU H 144 ? 0.6561 0.4640 0.4919 0.0517 -0.0973 -0.0700 143 LEU H CB 11145 C CG . LEU H 144 ? 0.6805 0.4675 0.5374 0.0383 -0.1022 -0.0874 143 LEU H CG 11146 C CD1 . LEU H 144 ? 0.7217 0.5175 0.5638 0.0300 -0.1024 -0.1259 143 LEU H CD1 11147 C CD2 . LEU H 144 ? 0.6856 0.4322 0.5771 0.0433 -0.0941 -0.0820 143 LEU H CD2 11148 N N . ALA H 145 ? 0.6080 0.4181 0.4515 0.0800 -0.0777 -0.0271 144 ALA H N 11149 C CA . ALA H 145 ? 0.6045 0.4329 0.4375 0.0879 -0.0685 -0.0243 144 ALA H CA 11150 C C . ALA H 145 ? 0.6352 0.4606 0.4714 0.0958 -0.0582 -0.0501 144 ALA H C 11151 O O . ALA H 145 ? 0.6485 0.4500 0.5107 0.1029 -0.0536 -0.0568 144 ALA H O 11152 C CB . ALA H 145 ? 0.5803 0.4095 0.4297 0.0931 -0.0656 -0.0028 144 ALA H CB 11153 N N . THR H 146 ? 0.6509 0.5013 0.4618 0.0954 -0.0536 -0.0640 145 THR H N 11154 C CA . THR H 146 ? 0.6847 0.5362 0.4943 0.1021 -0.0429 -0.0964 145 THR H CA 11155 C C . THR H 146 ? 0.6914 0.5770 0.4874 0.1110 -0.0293 -0.0983 145 THR H C 11156 O O . THR H 146 ? 0.6748 0.5881 0.4526 0.1065 -0.0302 -0.0769 145 THR H O 11157 C CB . THR H 146 ? 0.7145 0.5711 0.5036 0.0902 -0.0498 -0.1247 145 THR H CB 11158 O OG1 . THR H 146 ? 0.7047 0.5982 0.4615 0.0818 -0.0577 -0.1112 145 THR H OG1 11159 C CG2 . THR H 146 ? 0.7146 0.5377 0.5243 0.0803 -0.0606 -0.1282 145 THR H CG2 11160 N N . GLY H 147 ? 0.7188 0.6013 0.5270 0.1238 -0.0154 -0.1237 146 GLY H N 11161 C CA . GLY H 147 ? 0.7341 0.6554 0.5288 0.1327 0.0000 -0.1335 146 GLY H CA 11162 C C . GLY H 147 ? 0.7064 0.6506 0.5137 0.1396 0.0070 -0.1041 146 GLY H C 11163 O O . GLY H 147 ? 0.7119 0.6975 0.5025 0.1402 0.0171 -0.1015 146 GLY H O 11164 N N . PHE H 148 ? 0.6800 0.6026 0.5171 0.1431 0.0019 -0.0819 147 PHE H N 11165 C CA . PHE H 148 ? 0.6555 0.6035 0.5065 0.1456 0.0059 -0.0550 147 PHE H CA 11166 C C . PHE H 148 ? 0.6630 0.6173 0.5503 0.1662 0.0180 -0.0576 147 PHE H C 11167 O O . PHE H 148 ? 0.6793 0.6021 0.5904 0.1791 0.0196 -0.0699 147 PHE H O 11168 C CB . PHE H 148 ? 0.6201 0.5549 0.4753 0.1329 -0.0086 -0.0265 147 PHE H CB 11169 C CG . PHE H 148 ? 0.6144 0.5137 0.4931 0.1368 -0.0172 -0.0230 147 PHE H CG 11170 C CD1 . PHE H 148 ? 0.6234 0.4920 0.4938 0.1294 -0.0268 -0.0323 147 PHE H CD1 11171 C CD2 . PHE H 148 ? 0.5990 0.5020 0.5091 0.1469 -0.0160 -0.0073 147 PHE H CD2 11172 C CE1 . PHE H 148 ? 0.6213 0.4602 0.5150 0.1312 -0.0334 -0.0254 147 PHE H CE1 11173 C CE2 . PHE H 148 ? 0.5980 0.4733 0.5294 0.1504 -0.0233 0.0014 147 PHE H CE2 11174 C CZ . PHE H 148 ? 0.6086 0.4501 0.5320 0.1420 -0.0312 -0.0071 147 PHE H CZ 11175 N N . TYR H 149 ? 0.6537 0.6502 0.5482 0.1689 0.0267 -0.0438 148 TYR H N 11176 C CA . TYR H 149 ? 0.6583 0.6744 0.5905 0.1893 0.0375 -0.0401 148 TYR H CA 11177 C C . TYR H 149 ? 0.6316 0.6901 0.5736 0.1801 0.0359 -0.0114 148 TYR H C 11178 O O . TYR H 149 ? 0.6248 0.7098 0.5444 0.1637 0.0379 -0.0046 148 TYR H O 11179 C CB . TYR H 149 ? 0.6938 0.7309 0.6273 0.2071 0.0577 -0.0688 148 TYR H CB 11180 C CG . TYR H 149 ? 0.7019 0.7610 0.6794 0.2332 0.0709 -0.0659 148 TYR H CG 11181 C CD1 . TYR H 149 ? 0.7206 0.7416 0.7336 0.2551 0.0726 -0.0723 148 TYR H CD1 11182 C CD2 . TYR H 149 ? 0.6910 0.8110 0.6786 0.2363 0.0820 -0.0539 148 TYR H CD2 11183 C CE1 . TYR H 149 ? 0.7265 0.7697 0.7847 0.2829 0.0849 -0.0655 148 TYR H CE1 11184 C CE2 . TYR H 149 ? 0.6994 0.8473 0.7314 0.2624 0.0939 -0.0494 148 TYR H CE2 11185 C CZ . TYR H 149 ? 0.7151 0.8244 0.7824 0.2873 0.0950 -0.0546 148 TYR H CZ 11186 O OH . TYR H 149 ? 0.7245 0.8631 0.8398 0.3167 0.1068 -0.0462 148 TYR H OH 11187 N N . PRO H 150 ? 0.6196 0.6871 0.5965 0.1891 0.0319 0.0066 149 PRO H N 11188 C CA . PRO H 150 ? 0.6297 0.6679 0.6372 0.2079 0.0283 0.0095 149 PRO H CA 11189 C C . PRO H 150 ? 0.6175 0.6142 0.6158 0.1945 0.0107 0.0199 149 PRO H C 11190 O O . PRO H 150 ? 0.6076 0.5901 0.5739 0.1740 0.0027 0.0170 149 PRO H O 11191 C CB . PRO H 150 ? 0.6181 0.7040 0.6626 0.2192 0.0301 0.0324 149 PRO H CB 11192 C CG . PRO H 150 ? 0.5910 0.7171 0.6196 0.1943 0.0256 0.0452 149 PRO H CG 11193 C CD . PRO H 150 ? 0.5992 0.7186 0.5908 0.1809 0.0324 0.0281 149 PRO H CD 11194 N N . ASP H 151 ? 0.6226 0.6041 0.6505 0.2072 0.0057 0.0344 150 ASP H N 11195 C CA . ASP H 151 ? 0.6171 0.5630 0.6399 0.1966 -0.0085 0.0453 150 ASP H CA 11196 C C . ASP H 151 ? 0.5846 0.5568 0.6006 0.1793 -0.0220 0.0691 150 ASP H C 11197 O O . ASP H 151 ? 0.5795 0.5378 0.6001 0.1757 -0.0322 0.0841 150 ASP H O 11198 C CB . ASP H 151 ? 0.6433 0.5580 0.7013 0.2171 -0.0063 0.0524 150 ASP H CB 11199 C CG . ASP H 151 ? 0.6521 0.6038 0.7489 0.2364 -0.0052 0.0809 150 ASP H CG 11200 O OD1 . ASP H 151 ? 0.6462 0.6513 0.7459 0.2363 -0.0033 0.0881 150 ASP H OD1 11201 O OD2 . ASP H 151 ? 0.6831 0.6133 0.8101 0.2513 -0.0064 0.0986 150 ASP H OD2 11202 N N . HIS H 152 ? 0.5685 0.5798 0.5740 0.1673 -0.0212 0.0712 151 HIS H N 11203 C CA . HIS H 152 ? 0.5435 0.5803 0.5432 0.1484 -0.0324 0.0867 151 HIS H CA 11204 C C . HIS H 152 ? 0.5334 0.5438 0.4995 0.1263 -0.0384 0.0781 151 HIS H C 11205 O O . HIS H 152 ? 0.5309 0.5519 0.4816 0.1126 -0.0350 0.0732 151 HIS H O 11206 C CB . HIS H 152 ? 0.5363 0.6298 0.5498 0.1447 -0.0284 0.0938 151 HIS H CB 11207 C CG . HIS H 152 ? 0.5420 0.6740 0.5932 0.1656 -0.0268 0.1100 151 HIS H CG 11208 N ND1 . HIS H 152 ? 0.5361 0.7235 0.6036 0.1582 -0.0346 0.1272 151 HIS H ND1 11209 C CD2 . HIS H 152 ? 0.5664 0.6910 0.6451 0.1945 -0.0186 0.1124 151 HIS H CD2 11210 C CE1 . HIS H 152 ? 0.5473 0.7652 0.6507 0.1832 -0.0321 0.1434 151 HIS H CE1 11211 N NE2 . HIS H 152 ? 0.5660 0.7427 0.6784 0.2068 -0.0215 0.1353 151 HIS H NE2 11212 N N . VAL H 153 ? 0.5301 0.5074 0.4882 0.1240 -0.0465 0.0789 152 VAL H N 11213 C CA . VAL H 153 ? 0.5207 0.4740 0.4520 0.1071 -0.0524 0.0727 152 VAL H CA 11214 C C . VAL H 153 ? 0.5108 0.4603 0.4421 0.1001 -0.0628 0.0825 152 VAL H C 11215 O O . VAL H 153 ? 0.5129 0.4643 0.4611 0.1097 -0.0658 0.0940 152 VAL H O 11216 C CB . VAL H 153 ? 0.5323 0.4503 0.4475 0.1099 -0.0501 0.0575 152 VAL H CB 11217 C CG1 . VAL H 153 ? 0.5442 0.4731 0.4490 0.1123 -0.0398 0.0459 152 VAL H CG1 11218 C CG2 . VAL H 153 ? 0.5448 0.4386 0.4763 0.1229 -0.0504 0.0552 152 VAL H CG2 11219 N N . GLU H 154 ? 0.5039 0.4494 0.4178 0.0843 -0.0669 0.0791 153 GLU H N 11220 C CA . GLU H 154 ? 0.4980 0.4396 0.4075 0.0776 -0.0746 0.0831 153 GLU H CA 11221 C C . GLU H 154 ? 0.4976 0.4058 0.3901 0.0737 -0.0760 0.0747 153 GLU H C 11222 O O . GLU H 154 ? 0.5024 0.4001 0.3819 0.0678 -0.0732 0.0680 153 GLU H O 11223 C CB . GLU H 154 ? 0.4932 0.4630 0.4007 0.0633 -0.0776 0.0827 153 GLU H CB 11224 C CG . GLU H 154 ? 0.5057 0.5214 0.4312 0.0656 -0.0796 0.0933 153 GLU H CG 11225 C CD . GLU H 154 ? 0.5299 0.5781 0.4523 0.0467 -0.0833 0.0871 153 GLU H CD 11226 O OE1 . GLU H 154 ? 0.5383 0.5749 0.4533 0.0325 -0.0794 0.0746 153 GLU H OE1 11227 O OE2 . GLU H 154 ? 0.5344 0.6212 0.4627 0.0451 -0.0900 0.0949 153 GLU H OE2 11228 N N . LEU H 155 ? 0.4965 0.3916 0.3917 0.0772 -0.0801 0.0783 154 LEU H N 11229 C CA . LEU H 155 ? 0.4974 0.3693 0.3811 0.0741 -0.0826 0.0720 154 LEU H CA 11230 C C . LEU H 155 ? 0.4891 0.3689 0.3700 0.0677 -0.0863 0.0750 154 LEU H C 11231 O O . LEU H 155 ? 0.4868 0.3857 0.3760 0.0677 -0.0883 0.0843 154 LEU H O 11232 C CB . LEU H 155 ? 0.5083 0.3615 0.4000 0.0802 -0.0835 0.0707 154 LEU H CB 11233 C CG . LEU H 155 ? 0.5205 0.3556 0.4010 0.0771 -0.0860 0.0601 154 LEU H CG 11234 C CD1 . LEU H 155 ? 0.5400 0.3583 0.4300 0.0813 -0.0847 0.0513 154 LEU H CD1 11235 C CD2 . LEU H 155 ? 0.5160 0.3517 0.3953 0.0713 -0.0914 0.0643 154 LEU H CD2 11236 N N . SER H 156 ? 0.4896 0.3580 0.3595 0.0636 -0.0865 0.0682 155 SER H N 11237 C CA . SER H 156 ? 0.4856 0.3607 0.3535 0.0598 -0.0876 0.0665 155 SER H CA 11238 C C . SER H 156 ? 0.4866 0.3458 0.3503 0.0622 -0.0886 0.0635 155 SER H C 11239 O O . SER H 156 ? 0.4910 0.3359 0.3485 0.0642 -0.0883 0.0620 155 SER H O 11240 C CB . SER H 156 ? 0.4889 0.3741 0.3530 0.0522 -0.0844 0.0587 155 SER H CB 11241 O OG . SER H 156 ? 0.4991 0.3690 0.3595 0.0496 -0.0808 0.0553 155 SER H OG 11242 N N . TRP H 157 ? 0.4836 0.3521 0.3511 0.0624 -0.0897 0.0646 156 TRP H N 11243 C CA . TRP H 157 ? 0.4843 0.3468 0.3525 0.0662 -0.0908 0.0632 156 TRP H CA 11244 C C . TRP H 157 ? 0.4932 0.3554 0.3603 0.0681 -0.0854 0.0552 156 TRP H C 11245 O O . TRP H 157 ? 0.4969 0.3739 0.3635 0.0644 -0.0819 0.0487 156 TRP H O 11246 C CB . TRP H 157 ? 0.4776 0.3541 0.3557 0.0653 -0.0939 0.0697 156 TRP H CB 11247 C CG . TRP H 157 ? 0.4741 0.3422 0.3579 0.0628 -0.0985 0.0740 156 TRP H CG 11248 C CD1 . TRP H 157 ? 0.4719 0.3385 0.3633 0.0607 -0.0984 0.0805 156 TRP H CD1 11249 C CD2 . TRP H 157 ? 0.4765 0.3370 0.3608 0.0621 -0.1035 0.0705 156 TRP H CD2 11250 N NE1 . TRP H 157 ? 0.4834 0.3346 0.3816 0.0587 -0.1014 0.0780 156 TRP H NE1 11251 C CE2 . TRP H 157 ? 0.4815 0.3317 0.3735 0.0577 -0.1052 0.0700 156 TRP H CE2 11252 C CE3 . TRP H 157 ? 0.4803 0.3447 0.3607 0.0651 -0.1069 0.0682 156 TRP H CE3 11253 C CZ2 . TRP H 157 ? 0.4938 0.3373 0.3872 0.0533 -0.1102 0.0614 156 TRP H CZ2 11254 C CZ3 . TRP H 157 ? 0.4855 0.3511 0.3659 0.0611 -0.1135 0.0639 156 TRP H CZ3 11255 C CH2 . TRP H 157 ? 0.4952 0.3503 0.3809 0.0538 -0.1151 0.0577 156 TRP H CH2 11256 N N . TRP H 158 ? 0.5022 0.3492 0.3698 0.0745 -0.0845 0.0553 157 TRP H N 11257 C CA . TRP H 158 ? 0.5154 0.3526 0.3872 0.0791 -0.0774 0.0473 157 TRP H CA 11258 C C . TRP H 158 ? 0.5185 0.3596 0.4002 0.0910 -0.0779 0.0522 157 TRP H C 11259 O O . TRP H 158 ? 0.5192 0.3600 0.4013 0.0956 -0.0840 0.0636 157 TRP H O 11260 C CB . TRP H 158 ? 0.5318 0.3428 0.4008 0.0768 -0.0734 0.0472 157 TRP H CB 11261 C CG . TRP H 158 ? 0.5291 0.3436 0.3922 0.0644 -0.0724 0.0416 157 TRP H CG 11262 C CD1 . TRP H 158 ? 0.5157 0.3412 0.3736 0.0602 -0.0769 0.0480 157 TRP H CD1 11263 C CD2 . TRP H 158 ? 0.5418 0.3531 0.4068 0.0546 -0.0665 0.0270 157 TRP H CD2 11264 N NE1 . TRP H 158 ? 0.5199 0.3536 0.3776 0.0502 -0.0746 0.0420 157 TRP H NE1 11265 C CE2 . TRP H 158 ? 0.5344 0.3613 0.3954 0.0444 -0.0691 0.0284 157 TRP H CE2 11266 C CE3 . TRP H 158 ? 0.5618 0.3593 0.4335 0.0531 -0.0587 0.0105 157 TRP H CE3 11267 C CZ2 . TRP H 158 ? 0.5429 0.3782 0.4055 0.0306 -0.0661 0.0152 157 TRP H CZ2 11268 C CZ3 . TRP H 158 ? 0.5779 0.3778 0.4497 0.0378 -0.0550 -0.0065 157 TRP H CZ3 11269 C CH2 . TRP H 158 ? 0.5649 0.3867 0.4318 0.0255 -0.0596 -0.0033 157 TRP H CH2 11270 N N . VAL H 159 ? 0.5224 0.3741 0.4122 0.0960 -0.0715 0.0425 158 VAL H N 11271 C CA . VAL H 159 ? 0.5264 0.3871 0.4307 0.1101 -0.0699 0.0464 158 VAL H CA 11272 C C . VAL H 159 ? 0.5533 0.3915 0.4672 0.1204 -0.0584 0.0344 158 VAL H C 11273 O O . VAL H 159 ? 0.5628 0.4016 0.4745 0.1158 -0.0500 0.0144 158 VAL H O 11274 C CB . VAL H 159 ? 0.5134 0.4122 0.4241 0.1091 -0.0703 0.0461 158 VAL H CB 11275 C CG1 . VAL H 159 ? 0.5242 0.4386 0.4537 0.1254 -0.0654 0.0466 158 VAL H CG1 11276 C CG2 . VAL H 159 ? 0.4936 0.4059 0.4020 0.0993 -0.0812 0.0593 158 VAL H CG2 11277 N N . ASN H 160 ? 0.5687 0.3880 0.4940 0.1341 -0.0579 0.0468 159 ASN H N 11278 C CA . ASN H 160 ? 0.6007 0.3890 0.5423 0.1471 -0.0459 0.0399 159 ASN H CA 11279 C C . ASN H 160 ? 0.6205 0.3744 0.5564 0.1342 -0.0379 0.0223 159 ASN H C 11280 O O . ASN H 160 ? 0.6510 0.3842 0.5991 0.1386 -0.0255 0.0018 159 ASN H O 11281 C CB . ASN H 160 ? 0.6109 0.4185 0.5700 0.1625 -0.0368 0.0268 159 ASN H CB 11282 C CG . ASN H 160 ? 0.5985 0.4407 0.5711 0.1768 -0.0439 0.0466 159 ASN H CG 11283 O OD1 . ASN H 160 ? 0.6021 0.4400 0.5815 0.1861 -0.0509 0.0698 159 ASN H OD1 11284 N ND2 . ASN H 160 ? 0.5876 0.4706 0.5648 0.1775 -0.0421 0.0387 159 ASN H ND2 11285 N N . GLY H 161 ? 0.6064 0.3563 0.5259 0.1175 -0.0445 0.0282 160 GLY H N 11286 C CA . GLY H 161 ? 0.6254 0.3492 0.5418 0.1020 -0.0386 0.0147 160 GLY H CA 11287 C C . GLY H 161 ? 0.6160 0.3635 0.5209 0.0861 -0.0380 -0.0096 160 GLY H C 11288 O O . GLY H 161 ? 0.6299 0.3665 0.5319 0.0699 -0.0351 -0.0228 160 GLY H O 11289 N N . LYS H 162 ? 0.5969 0.3820 0.4962 0.0895 -0.0411 -0.0134 161 LYS H N 11290 C CA . LYS H 162 ? 0.5888 0.4074 0.4755 0.0758 -0.0419 -0.0297 161 LYS H CA 11291 C C . LYS H 162 ? 0.5563 0.4060 0.4327 0.0715 -0.0532 -0.0102 161 LYS H C 11292 O O . LYS H 162 ? 0.5426 0.3992 0.4228 0.0804 -0.0581 0.0066 161 LYS H O 11293 C CB . LYS H 162 ? 0.6020 0.4417 0.4919 0.0821 -0.0328 -0.0518 161 LYS H CB 11294 C CG . LYS H 162 ? 0.6478 0.4534 0.5496 0.0848 -0.0194 -0.0795 161 LYS H CG 11295 C CD . LYS H 162 ? 0.6695 0.5010 0.5731 0.0921 -0.0083 -0.1067 161 LYS H CD 11296 C CE . LYS H 162 ? 0.7243 0.5149 0.6426 0.0945 0.0068 -0.1398 161 LYS H CE 11297 N NZ . LYS H 162 ? 0.7564 0.5708 0.6790 0.1064 0.0205 -0.1694 161 LYS H NZ 11298 N N . GLU H 163 ? 0.5493 0.4177 0.4156 0.0576 -0.0570 -0.0127 162 GLU H N 11299 C CA . GLU H 163 ? 0.5252 0.4168 0.3865 0.0551 -0.0660 0.0064 162 GLU H CA 11300 C C . GLU H 163 ? 0.5173 0.4457 0.3779 0.0576 -0.0667 0.0113 162 GLU H C 11301 O O . GLU H 163 ? 0.5290 0.4816 0.3855 0.0555 -0.0609 -0.0040 162 GLU H O 11302 C CB . GLU H 163 ? 0.5230 0.4281 0.3786 0.0425 -0.0694 0.0053 162 GLU H CB 11303 C CG . GLU H 163 ? 0.5053 0.4196 0.3618 0.0438 -0.0768 0.0267 162 GLU H CG 11304 C CD . GLU H 163 ? 0.5144 0.4543 0.3695 0.0346 -0.0799 0.0281 162 GLU H CD 11305 O OE1 . GLU H 163 ? 0.5273 0.4747 0.3799 0.0237 -0.0774 0.0113 162 GLU H OE1 11306 O OE2 . GLU H 163 ? 0.5152 0.4687 0.3745 0.0383 -0.0847 0.0457 162 GLU H OE2 11307 N N . VAL H 164 ? 0.5031 0.4361 0.3681 0.0607 -0.0728 0.0317 163 VAL H N 11308 C CA . VAL H 164 ? 0.4993 0.4664 0.3674 0.0604 -0.0734 0.0430 163 VAL H CA 11309 C C . VAL H 164 ? 0.4927 0.4725 0.3619 0.0549 -0.0797 0.0628 163 VAL H C 11310 O O . VAL H 164 ? 0.4910 0.4488 0.3617 0.0547 -0.0839 0.0678 163 VAL H O 11311 C CB . VAL H 164 ? 0.4956 0.4601 0.3758 0.0675 -0.0736 0.0508 163 VAL H CB 11312 C CG1 . VAL H 164 ? 0.5090 0.4685 0.3931 0.0774 -0.0659 0.0344 163 VAL H CG1 11313 C CG2 . VAL H 164 ? 0.4866 0.4235 0.3720 0.0683 -0.0813 0.0616 163 VAL H CG2 11314 N N . HIS H 165 ? 0.4937 0.5108 0.3639 0.0518 -0.0790 0.0753 164 HIS H N 11315 C CA . HIS H 165 ? 0.4896 0.5191 0.3661 0.0490 -0.0839 0.0997 164 HIS H CA 11316 C C . HIS H 165 ? 0.4877 0.5315 0.3773 0.0475 -0.0833 0.1213 164 HIS H C 11317 O O . HIS H 165 ? 0.4889 0.5220 0.3925 0.0466 -0.0868 0.1428 164 HIS H O 11318 C CB . HIS H 165 ? 0.4982 0.5682 0.3641 0.0446 -0.0845 0.1010 164 HIS H CB 11319 C CG . HIS H 165 ? 0.5071 0.5662 0.3648 0.0419 -0.0856 0.0813 164 HIS H CG 11320 N ND1 . HIS H 165 ? 0.5081 0.5566 0.3720 0.0431 -0.0903 0.0905 164 HIS H ND1 11321 C CD2 . HIS H 165 ? 0.5199 0.5761 0.3670 0.0374 -0.0815 0.0529 164 HIS H CD2 11322 C CE1 . HIS H 165 ? 0.5141 0.5586 0.3710 0.0375 -0.0897 0.0703 164 HIS H CE1 11323 N NE2 . HIS H 165 ? 0.5236 0.5691 0.3707 0.0330 -0.0845 0.0471 164 HIS H NE2 11324 N N . SER H 166 ? 0.4875 0.5548 0.3754 0.0471 -0.0778 0.1150 165 SER H N 11325 C CA . SER H 166 ? 0.4870 0.5737 0.3893 0.0433 -0.0758 0.1348 165 SER H CA 11326 C C . SER H 166 ? 0.4824 0.5310 0.4020 0.0424 -0.0804 0.1372 165 SER H C 11327 O O . SER H 166 ? 0.4770 0.5001 0.3938 0.0476 -0.0821 0.1186 165 SER H O 11328 C CB . SER H 166 ? 0.4903 0.6169 0.3870 0.0449 -0.0670 0.1231 165 SER H CB 11329 O OG . SER H 166 ? 0.4911 0.6460 0.4031 0.0393 -0.0639 0.1446 165 SER H OG 11330 N N . GLY H 167 ? 0.4897 0.5357 0.4280 0.0347 -0.0824 0.1606 166 GLY H N 11331 C CA . GLY H 167 ? 0.4911 0.5050 0.4470 0.0295 -0.0873 0.1601 166 GLY H CA 11332 C C . GLY H 167 ? 0.4938 0.4624 0.4472 0.0330 -0.0928 0.1497 166 GLY H C 11333 O O . GLY H 167 ? 0.4970 0.4414 0.4573 0.0298 -0.0973 0.1394 166 GLY H O 11334 N N . VAL H 168 ? 0.4968 0.4609 0.4405 0.0391 -0.0924 0.1518 167 VAL H N 11335 C CA . VAL H 168 ? 0.5020 0.4309 0.4427 0.0443 -0.0953 0.1416 167 VAL H CA 11336 C C . VAL H 168 ? 0.5207 0.4360 0.4788 0.0455 -0.0950 0.1611 167 VAL H C 11337 O O . VAL H 168 ? 0.5264 0.4675 0.4899 0.0462 -0.0931 0.1841 167 VAL H O 11338 C CB . VAL H 168 ? 0.4910 0.4256 0.4108 0.0512 -0.0944 0.1268 167 VAL H CB 11339 C CG1 . VAL H 168 ? 0.4921 0.4001 0.4107 0.0563 -0.0957 0.1205 167 VAL H CG1 11340 C CG2 . VAL H 168 ? 0.4860 0.4214 0.3941 0.0527 -0.0934 0.1081 167 VAL H CG2 11341 N N . CYS H 169 ? 0.5353 0.4125 0.5030 0.0468 -0.0962 0.1520 168 CYS H N 11342 C CA . CYS H 169 ? 0.5589 0.4158 0.5456 0.0530 -0.0940 0.1656 168 CYS H CA 11343 C C . CYS H 169 ? 0.5628 0.3888 0.5460 0.0604 -0.0934 0.1434 168 CYS H C 11344 O O . CYS H 169 ? 0.5760 0.3768 0.5603 0.0550 -0.0946 0.1239 168 CYS H O 11345 C CB . CYS H 169 ? 0.5843 0.4226 0.6008 0.0448 -0.0923 0.1840 168 CYS H CB 11346 S SG . CYS H 169 ? 0.6421 0.4575 0.6883 0.0577 -0.0874 0.2094 168 CYS H SG 11347 N N . THR H 170 ? 0.5567 0.3917 0.5358 0.0718 -0.0915 0.1462 169 THR H N 11348 C CA . THR H 170 ? 0.5620 0.3752 0.5403 0.0806 -0.0885 0.1283 169 THR H CA 11349 C C . THR H 170 ? 0.5896 0.3823 0.5984 0.0916 -0.0834 0.1422 169 THR H C 11350 O O . THR H 170 ? 0.5946 0.4045 0.6195 0.0969 -0.0831 0.1716 169 THR H O 11351 C CB . THR H 170 ? 0.5422 0.3807 0.5012 0.0858 -0.0883 0.1220 169 THR H CB 11352 O OG1 . THR H 170 ? 0.5207 0.3741 0.4572 0.0768 -0.0916 0.1129 169 THR H OG1 11353 C CG2 . THR H 170 ? 0.5489 0.3710 0.5045 0.0930 -0.0840 0.1026 169 THR H CG2 11354 N N . ASP H 171 ? 0.6109 0.3688 0.6283 0.0958 -0.0789 0.1213 170 ASP H N 11355 C CA . ASP H 171 ? 0.6436 0.3741 0.6938 0.1097 -0.0715 0.1292 170 ASP H CA 11356 C C . ASP H 171 ? 0.6369 0.3978 0.6953 0.1274 -0.0691 0.1505 170 ASP H C 11357 O O . ASP H 171 ? 0.6130 0.4045 0.6495 0.1291 -0.0706 0.1417 170 ASP H O 11358 C CB . ASP H 171 ? 0.6682 0.3638 0.7196 0.1125 -0.0654 0.0934 170 ASP H CB 11359 C CG . ASP H 171 ? 0.6796 0.3517 0.7249 0.0931 -0.0693 0.0707 170 ASP H CG 11360 O OD1 . ASP H 171 ? 0.6942 0.3552 0.7567 0.0812 -0.0722 0.0861 170 ASP H OD1 11361 O OD2 . ASP H 171 ? 0.6760 0.3462 0.7000 0.0889 -0.0696 0.0385 170 ASP H OD2 11362 N N . PRO H 172 ? 0.6618 0.4174 0.7542 0.1398 -0.0658 0.1810 171 PRO H N 11363 C CA . PRO H 172 ? 0.6566 0.4516 0.7591 0.1572 -0.0653 0.2046 171 PRO H CA 11364 C C . PRO H 172 ? 0.6686 0.4566 0.7788 0.1744 -0.0571 0.1836 171 PRO H C 11365 O O . PRO H 172 ? 0.6508 0.4822 0.7552 0.1822 -0.0581 0.1884 171 PRO H O 11366 C CB . PRO H 172 ? 0.6860 0.4727 0.8274 0.1677 -0.0632 0.2462 171 PRO H CB 11367 C CG . PRO H 172 ? 0.7026 0.4496 0.8501 0.1503 -0.0632 0.2455 171 PRO H CG 11368 C CD . PRO H 172 ? 0.6990 0.4149 0.8252 0.1383 -0.0622 0.1983 171 PRO H CD 11369 N N . GLN H 173 ? 0.7031 0.4405 0.8260 0.1784 -0.0486 0.1580 172 GLN H N 11370 C CA . GLN H 173 ? 0.7231 0.4513 0.8568 0.1968 -0.0376 0.1352 172 GLN H CA 11371 C C . GLN H 173 ? 0.7284 0.4321 0.8358 0.1854 -0.0342 0.0889 172 GLN H C 11372 O O . GLN H 173 ? 0.7558 0.4169 0.8672 0.1747 -0.0334 0.0714 172 GLN H O 11373 C CB . GLN H 173 ? 0.7710 0.4624 0.9550 0.2198 -0.0268 0.1494 172 GLN H CB 11374 C CG . GLN H 173 ? 0.7761 0.5051 0.9895 0.2400 -0.0282 0.1967 172 GLN H CG 11375 C CD . GLN H 173 ? 0.7650 0.5410 0.9802 0.2587 -0.0240 0.1934 172 GLN H CD 11376 O OE1 . GLN H 173 ? 0.7938 0.5537 1.0396 0.2833 -0.0109 0.1845 172 GLN H OE1 11377 N NE2 . GLN H 173 ? 0.7196 0.5546 0.9045 0.2465 -0.0340 0.1990 172 GLN H NE2 11378 N N . PRO H 174 ? 0.7063 0.4417 0.7872 0.1859 -0.0324 0.0703 173 PRO H N 11379 C CA . PRO H 174 ? 0.7144 0.4369 0.7694 0.1777 -0.0284 0.0299 173 PRO H CA 11380 C C . PRO H 174 ? 0.7599 0.4485 0.8394 0.1946 -0.0137 0.0036 173 PRO H C 11381 O O . PRO H 174 ? 0.7733 0.4688 0.8820 0.2184 -0.0037 0.0130 173 PRO H O 11382 C CB . PRO H 174 ? 0.6838 0.4543 0.7119 0.1768 -0.0284 0.0278 173 PRO H CB 11383 C CG . PRO H 174 ? 0.6560 0.4605 0.6887 0.1753 -0.0366 0.0626 173 PRO H CG 11384 C CD . PRO H 174 ? 0.6755 0.4651 0.7480 0.1905 -0.0350 0.0874 173 PRO H CD 11385 N N . LEU H 175 ? 0.7845 0.4397 0.8539 0.1826 -0.0124 -0.0305 174 LEU H N 11386 C CA . LEU H 175 ? 0.8386 0.4543 0.9318 0.1953 0.0021 -0.0635 174 LEU H CA 11387 C C . LEU H 175 ? 0.8484 0.4891 0.9186 0.2035 0.0133 -0.1000 174 LEU H C 11388 O O . LEU H 175 ? 0.8192 0.4992 0.8481 0.1907 0.0074 -0.1060 174 LEU H O 11389 C CB . LEU H 175 ? 0.8724 0.4397 0.9708 0.1752 -0.0018 -0.0854 174 LEU H CB 11390 C CG . LEU H 175 ? 0.8556 0.4393 0.9117 0.1465 -0.0149 -0.1043 174 LEU H CG 11391 C CD1 . LEU H 175 ? 0.8883 0.4791 0.9182 0.1432 -0.0083 -0.1547 174 LEU H CD1 11392 C CD2 . LEU H 175 ? 0.8679 0.4167 0.9405 0.1253 -0.0238 -0.0990 174 LEU H CD2 11393 N N . LYS H 176 ? 0.8927 0.5113 0.9918 0.2257 0.0308 -0.1230 175 LYS H N 11394 C CA . LYS H 176 ? 0.9110 0.5553 0.9909 0.2354 0.0449 -0.1614 175 LYS H CA 11395 C C . LYS H 176 ? 0.9435 0.5723 0.9931 0.2151 0.0443 -0.2108 175 LYS H C 11396 O O . LYS H 176 ? 0.9838 0.5603 1.0524 0.2065 0.0441 -0.2312 175 LYS H O 11397 C CB . LYS H 176 ? 0.9527 0.5818 1.0781 0.2698 0.0657 -0.1700 175 LYS H CB 11398 N N . GLU H 177 ? 0.9290 0.6068 0.9323 0.2059 0.0436 -0.2283 176 GLU H N 11399 C CA . GLU H 177 ? 0.9607 0.6412 0.9290 0.1864 0.0416 -0.2738 176 GLU H CA 11400 C C . GLU H 177 ? 1.0288 0.6897 1.0104 0.2010 0.0623 -0.3276 176 GLU H C 11401 O O . GLU H 177 ? 1.0755 0.7097 1.0508 0.1858 0.0618 -0.3709 176 GLU H O 11402 C CB . GLU H 177 ? 0.9286 0.6733 0.8440 0.1739 0.0349 -0.2687 176 GLU H CB 11403 C CG . GLU H 177 ? 0.8760 0.6345 0.7743 0.1556 0.0143 -0.2270 176 GLU H CG 11404 C CD . GLU H 177 ? 0.8561 0.6721 0.7083 0.1458 0.0096 -0.2177 176 GLU H CD 11405 O OE1 . GLU H 177 ? 0.8696 0.7229 0.7067 0.1559 0.0233 -0.2303 176 GLU H OE1 11406 O OE2 . GLU H 177 ? 0.8307 0.6556 0.6643 0.1288 -0.0068 -0.1957 176 GLU H OE2 11407 N N . GLN H 178 ? 1.0373 0.7143 1.0387 0.2301 0.0809 -0.3269 177 GLN H N 11408 C CA . GLN H 178 ? 1.1031 0.7639 1.1216 0.2497 0.1044 -0.3785 177 GLN H CA 11409 C C . GLN H 178 ? 1.1211 0.7458 1.2031 0.2844 0.1197 -0.3604 177 GLN H C 11410 O O . GLN H 178 ? 1.1154 0.7790 1.2091 0.3106 0.1344 -0.3519 177 GLN H O 11411 C CB . GLN H 178 ? 1.1059 0.8378 1.0826 0.2543 0.1163 -0.4025 177 GLN H CB 11412 C CG . GLN H 178 ? 1.1765 0.9080 1.1312 0.2495 0.1294 -0.4731 177 GLN H CG 11413 C CD . GLN H 178 ? 1.1829 0.9108 1.0985 0.2127 0.1097 -0.4943 177 GLN H CD 11414 O OE1 . GLN H 178 ? 1.1326 0.8979 1.0124 0.1922 0.0901 -0.4613 177 GLN H OE1 11415 N NE2 . GLN H 178 ? 1.2496 0.9332 1.1751 0.2044 0.1152 -0.5504 177 GLN H NE2 11416 N N . PRO H 179 ? 1.1459 0.6993 1.2719 0.2848 0.1165 -0.3515 178 PRO H N 11417 C CA . PRO H 179 ? 1.1637 0.6799 1.3546 0.3177 0.1281 -0.3229 178 PRO H CA 11418 C C . PRO H 179 ? 1.2146 0.7334 1.4357 0.3553 0.1565 -0.3550 178 PRO H C 11419 O O . PRO H 179 ? 1.2148 0.7332 1.4840 0.3880 0.1658 -0.3213 178 PRO H O 11420 C CB . PRO H 179 ? 1.2071 0.6399 1.4323 0.3050 0.1238 -0.3284 178 PRO H CB 11421 C CG . PRO H 179 ? 1.1749 0.6189 1.3534 0.2633 0.1012 -0.3300 178 PRO H CG 11422 C CD . PRO H 179 ? 1.1624 0.6695 1.2813 0.2529 0.1017 -0.3660 178 PRO H CD 11423 N N . ALA H 180 ? 1.2598 0.7871 1.4530 0.3514 0.1702 -0.4192 179 ALA H N 11424 C CA . ALA H 180 ? 1.3146 0.8495 1.5320 0.3867 0.2000 -0.4591 179 ALA H CA 11425 C C . ALA H 180 ? 1.2683 0.8884 1.4772 0.4083 0.2074 -0.4305 179 ALA H C 11426 O O . ALA H 180 ? 1.2897 0.9146 1.5470 0.4473 0.2269 -0.4231 179 ALA H O 11427 C CB . ALA H 180 ? 1.3760 0.9075 1.5581 0.3724 0.2117 -0.5388 179 ALA H CB 11428 N N . LEU H 181 ? 1.2077 0.8950 1.3592 0.3829 0.1922 -0.4130 180 LEU H N 11429 C CA . LEU H 181 ? 1.1635 0.9343 1.3040 0.3955 0.1978 -0.3853 180 LEU H CA 11430 C C . LEU H 181 ? 1.1103 0.8923 1.2883 0.4074 0.1866 -0.3172 180 LEU H C 11431 O O . LEU H 181 ? 1.0749 0.8273 1.2535 0.3888 0.1645 -0.2809 180 LEU H O 11432 C CB . LEU H 181 ? 1.1243 0.9570 1.1945 0.3626 0.1857 -0.3864 180 LEU H CB 11433 N N . ASN H 182 ? 1.1072 0.9387 1.3163 0.4381 0.2023 -0.3016 181 ASN H N 11434 C CA . ASN H 182 ? 1.0621 0.9200 1.3085 0.4513 0.1928 -0.2396 181 ASN H CA 11435 C C . ASN H 182 ? 0.9881 0.8987 1.1935 0.4190 0.1700 -0.1993 181 ASN H C 11436 O O . ASN H 182 ? 0.9488 0.8601 1.1711 0.4143 0.1525 -0.1514 181 ASN H O 11437 C CB . ASN H 182 ? 1.0806 0.9865 1.3735 0.4930 0.2164 -0.2370 181 ASN H CB 11438 N N . ASP H 183 ? 0.9739 0.9289 1.1262 0.3969 0.1711 -0.2192 182 ASP H N 11439 C CA . ASP H 183 ? 0.9122 0.9098 1.0253 0.3651 0.1520 -0.1858 182 ASP H CA 11440 C C . ASP H 183 ? 0.9058 0.8711 0.9667 0.3307 0.1357 -0.2005 182 ASP H C 11441 O O . ASP H 183 ? 0.8856 0.8900 0.9008 0.3078 0.1310 -0.1997 182 ASP H O 11442 C CB . ASP H 183 ? 0.8986 0.9791 0.9969 0.3660 0.1653 -0.1843 182 ASP H CB 11443 N N . SER H 184 ? 0.9249 0.8209 0.9966 0.3275 0.1272 -0.2104 183 SER H N 11444 C CA . SER H 184 ? 0.9221 0.7867 0.9527 0.2969 0.1115 -0.2255 183 SER H CA 11445 C C . SER H 184 ? 0.8617 0.7442 0.8648 0.2697 0.0887 -0.1848 183 SER H C 11446 O O . SER H 184 ? 0.8242 0.7259 0.8465 0.2728 0.0820 -0.1443 183 SER H O 11447 C CB . SER H 184 ? 0.9593 0.7466 1.0181 0.2993 0.1085 -0.2409 183 SER H CB 11448 O OG . SER H 184 ? 0.9523 0.7150 0.9769 0.2682 0.0912 -0.2506 183 SER H OG 11449 N N . ARG H 185 ? 0.8559 0.7344 0.8154 0.2436 0.0771 -0.1976 184 ARG H N 11450 C CA . ARG H 185 ? 0.8065 0.6924 0.7418 0.2192 0.0565 -0.1640 184 ARG H CA 11451 C C . ARG H 185 ? 0.7975 0.6298 0.7496 0.2107 0.0410 -0.1520 184 ARG H C 11452 O O . ARG H 185 ? 0.8341 0.6209 0.8109 0.2187 0.0455 -0.1727 184 ARG H O 11453 C CB . ARG H 185 ? 0.8075 0.7234 0.6910 0.1985 0.0521 -0.1772 184 ARG H CB 11454 C CG . ARG H 185 ? 0.8084 0.7863 0.6738 0.2015 0.0646 -0.1717 184 ARG H CG 11455 C CD . ARG H 185 ? 0.8394 0.8498 0.6557 0.1870 0.0654 -0.1913 184 ARG H CD 11456 N NE . ARG H 185 ? 0.8566 0.9287 0.6594 0.1917 0.0814 -0.1869 184 ARG H NE 11457 C CZ . ARG H 185 ? 0.8853 1.0025 0.6460 0.1823 0.0866 -0.1986 184 ARG H CZ 11458 N NH1 . ARG H 185 ? 0.9071 1.0177 0.6342 0.1681 0.0756 -0.2168 184 ARG H NH1 11459 N NH2 . ARG H 185 ? 0.8908 1.0664 0.6437 0.1865 0.1028 -0.1899 184 ARG H NH2 11460 N N . TYR H 186 ? 0.7534 0.5912 0.6941 0.1941 0.0243 -0.1189 185 TYR H N 11461 C CA . TYR H 186 ? 0.7404 0.5391 0.6988 0.1869 0.0108 -0.1002 185 TYR H CA 11462 C C . TYR H 186 ? 0.7260 0.5178 0.6533 0.1620 -0.0049 -0.1002 185 TYR H C 11463 O O . TYR H 186 ? 0.7135 0.5361 0.6062 0.1505 -0.0085 -0.1005 185 TYR H O 11464 C CB . TYR H 186 ? 0.7041 0.5192 0.6846 0.1927 0.0057 -0.0591 185 TYR H CB 11465 C CG . TYR H 186 ? 0.7154 0.5424 0.7340 0.2191 0.0189 -0.0519 185 TYR H CG 11466 C CD1 . TYR H 186 ? 0.7369 0.5280 0.7973 0.2362 0.0223 -0.0444 185 TYR H CD1 11467 C CD2 . TYR H 186 ? 0.7063 0.5830 0.7227 0.2276 0.0286 -0.0497 185 TYR H CD2 11468 C CE1 . TYR H 186 ? 0.7528 0.5577 0.8528 0.2643 0.0345 -0.0342 185 TYR H CE1 11469 C CE2 . TYR H 186 ? 0.7203 0.6156 0.7755 0.2538 0.0408 -0.0420 185 TYR H CE2 11470 C CZ . TYR H 186 ? 0.7430 0.6026 0.8402 0.2736 0.0434 -0.0339 185 TYR H CZ 11471 O OH . TYR H 186 ? 0.7589 0.6398 0.8986 0.3031 0.0556 -0.0228 185 TYR H OH 11472 N N . SER H 187 ? 0.7314 0.4848 0.6744 0.1546 -0.0135 -0.0970 186 SER H N 11473 C CA . SER H 187 ? 0.7142 0.4645 0.6369 0.1330 -0.0292 -0.0902 186 SER H CA 11474 C C . SER H 187 ? 0.6892 0.4254 0.6340 0.1304 -0.0380 -0.0565 186 SER H C 11475 O O . SER H 187 ? 0.7021 0.4189 0.6809 0.1431 -0.0329 -0.0439 186 SER H O 11476 C CB . SER H 187 ? 0.7514 0.4784 0.6679 0.1207 -0.0317 -0.1245 186 SER H CB 11477 O OG . SER H 187 ? 0.7721 0.5271 0.6561 0.1180 -0.0273 -0.1538 186 SER H OG 11478 N N . LEU H 188 ? 0.6584 0.4078 0.5847 0.1156 -0.0502 -0.0407 187 LEU H N 11479 C CA . LEU H 188 ? 0.6337 0.3792 0.5750 0.1118 -0.0579 -0.0108 187 LEU H CA 11480 C C . LEU H 188 ? 0.6214 0.3673 0.5486 0.0941 -0.0697 -0.0086 187 LEU H C 11481 O O . LEU H 188 ? 0.6105 0.3761 0.5105 0.0870 -0.0744 -0.0141 187 LEU H O 11482 C CB . LEU H 188 ? 0.6021 0.3783 0.5410 0.1178 -0.0577 0.0132 187 LEU H CB 11483 C CG . LEU H 188 ? 0.5752 0.3603 0.5221 0.1130 -0.0653 0.0412 187 LEU H CG 11484 C CD1 . LEU H 188 ? 0.5911 0.3585 0.5712 0.1206 -0.0639 0.0577 187 LEU H CD1 11485 C CD2 . LEU H 188 ? 0.5503 0.3695 0.4899 0.1146 -0.0653 0.0549 187 LEU H CD2 11486 N N . SER H 189 ? 0.6251 0.3522 0.5739 0.0881 -0.0736 0.0028 188 SER H N 11487 C CA . SER H 189 ? 0.6164 0.3471 0.5589 0.0718 -0.0836 0.0053 188 SER H CA 11488 C C . SER H 189 ? 0.5902 0.3350 0.5397 0.0699 -0.0877 0.0354 188 SER H C 11489 O O . SER H 189 ? 0.5895 0.3332 0.5572 0.0780 -0.0840 0.0556 188 SER H O 11490 C CB . SER H 189 ? 0.6502 0.3513 0.6119 0.0610 -0.0842 -0.0117 188 SER H CB 11491 O OG . SER H 189 ? 0.6477 0.3524 0.6189 0.0464 -0.0920 0.0019 188 SER H OG 11492 N N . SER H 190 ? 0.5727 0.3357 0.5081 0.0602 -0.0950 0.0385 189 SER H N 11493 C CA . SER H 190 ? 0.5531 0.3340 0.4928 0.0575 -0.0977 0.0614 189 SER H CA 11494 C C . SER H 190 ? 0.5492 0.3413 0.4876 0.0454 -0.1044 0.0600 189 SER H C 11495 O O . SER H 190 ? 0.5510 0.3464 0.4773 0.0407 -0.1090 0.0435 189 SER H O 11496 C CB . SER H 190 ? 0.5297 0.3327 0.4522 0.0647 -0.0963 0.0686 189 SER H CB 11497 O OG . SER H 190 ? 0.5133 0.3360 0.4391 0.0624 -0.0974 0.0860 189 SER H OG 11498 N N . ARG H 191 ? 0.5423 0.3471 0.4934 0.0407 -0.1048 0.0790 190 ARG H N 11499 C CA . ARG H 191 ? 0.5397 0.3617 0.4954 0.0298 -0.1098 0.0804 190 ARG H CA 11500 C C . ARG H 191 ? 0.5170 0.3700 0.4664 0.0333 -0.1084 0.0944 190 ARG H C 11501 O O . ARG H 191 ? 0.5120 0.3745 0.4643 0.0370 -0.1040 0.1101 190 ARG H O 11502 C CB . ARG H 191 ? 0.5637 0.3729 0.5479 0.0161 -0.1100 0.0872 190 ARG H CB 11503 C CG . ARG H 191 ? 0.6032 0.3729 0.6020 0.0137 -0.1076 0.0745 190 ARG H CG 11504 C CD . ARG H 191 ? 0.6293 0.3819 0.6461 0.0228 -0.1001 0.0962 190 ARG H CD 11505 N NE . ARG H 191 ? 0.6784 0.3880 0.7206 0.0205 -0.0957 0.0876 190 ARG H NE 11506 C CZ . ARG H 191 ? 0.7006 0.3863 0.7427 0.0340 -0.0902 0.0740 190 ARG H CZ 11507 N NH1 . ARG H 191 ? 0.6794 0.3837 0.6970 0.0487 -0.0893 0.0699 190 ARG H NH1 11508 N NH2 . ARG H 191 ? 0.7446 0.3875 0.8142 0.0327 -0.0844 0.0637 190 ARG H NH2 11509 N N . LEU H 192 ? 0.5058 0.3776 0.4472 0.0332 -0.1118 0.0879 191 LEU H N 11510 C CA . LEU H 192 ? 0.4898 0.3909 0.4297 0.0369 -0.1089 0.0961 191 LEU H CA 11511 C C . LEU H 192 ? 0.4914 0.4159 0.4484 0.0278 -0.1118 0.1003 191 LEU H C 11512 O O . LEU H 192 ? 0.4943 0.4234 0.4525 0.0252 -0.1184 0.0909 191 LEU H O 11513 C CB . LEU H 192 ? 0.4808 0.3840 0.4021 0.0485 -0.1079 0.0866 191 LEU H CB 11514 C CG . LEU H 192 ? 0.4715 0.3998 0.3933 0.0552 -0.1037 0.0875 191 LEU H CG 11515 C CD1 . LEU H 192 ? 0.4656 0.4127 0.3879 0.0545 -0.0965 0.0943 191 LEU H CD1 11516 C CD2 . LEU H 192 ? 0.4677 0.3850 0.3764 0.0665 -0.1021 0.0788 191 LEU H CD2 11517 N N . ARG H 193 ? 0.4897 0.4361 0.4602 0.0224 -0.1072 0.1160 192 ARG H N 11518 C CA . ARG H 193 ? 0.4894 0.4659 0.4795 0.0125 -0.1083 0.1226 192 ARG H CA 11519 C C . ARG H 193 ? 0.4768 0.4926 0.4640 0.0223 -0.1019 0.1250 192 ARG H C 11520 O O . ARG H 193 ? 0.4733 0.5040 0.4536 0.0266 -0.0940 0.1324 192 ARG H O 11521 C CB . ARG H 193 ? 0.5040 0.4793 0.5177 -0.0039 -0.1062 0.1409 192 ARG H CB 11522 C CG . ARG H 193 ? 0.5076 0.5042 0.5467 -0.0211 -0.1100 0.1437 192 ARG H CG 11523 C CD . ARG H 193 ? 0.5229 0.5081 0.5893 -0.0401 -0.1072 0.1630 192 ARG H CD 11524 N NE . ARG H 193 ? 0.5351 0.5171 0.6259 -0.0615 -0.1141 0.1544 192 ARG H NE 11525 C CZ . ARG H 193 ? 0.5571 0.5298 0.6796 -0.0837 -0.1121 0.1691 192 ARG H CZ 11526 N NH1 . ARG H 193 ? 0.5757 0.5470 0.7203 -0.1058 -0.1194 0.1553 192 ARG H NH1 11527 N NH2 . ARG H 193 ? 0.5624 0.5296 0.6961 -0.0850 -0.1030 0.1986 192 ARG H NH2 11528 N N . VAL H 194 ? 0.4720 0.5080 0.4650 0.0269 -0.1051 0.1178 193 VAL H N 11529 C CA . VAL H 194 ? 0.4647 0.5390 0.4618 0.0385 -0.0975 0.1182 193 VAL H CA 11530 C C . VAL H 194 ? 0.4651 0.5814 0.4894 0.0291 -0.0995 0.1266 193 VAL H C 11531 O O . VAL H 194 ? 0.4701 0.5823 0.5088 0.0116 -0.1081 0.1297 193 VAL H O 11532 C CB . VAL H 194 ? 0.4620 0.5260 0.4464 0.0589 -0.0968 0.1045 193 VAL H CB 11533 C CG1 . VAL H 194 ? 0.4610 0.4918 0.4220 0.0655 -0.0924 0.0963 193 VAL H CG1 11534 C CG2 . VAL H 194 ? 0.4639 0.5201 0.4511 0.0595 -0.1085 0.1014 193 VAL H CG2 11535 N N . SER H 195 ? 0.4625 0.6208 0.4958 0.0398 -0.0907 0.1281 194 SER H N 11536 C CA . SER H 195 ? 0.4653 0.6733 0.5276 0.0330 -0.0914 0.1366 194 SER H CA 11537 C C . SER H 195 ? 0.4661 0.6795 0.5372 0.0391 -0.1032 0.1299 194 SER H C 11538 O O . SER H 195 ? 0.4650 0.6522 0.5197 0.0563 -0.1060 0.1205 194 SER H O 11539 C CB . SER H 195 ? 0.4649 0.7213 0.5346 0.0464 -0.0764 0.1382 194 SER H CB 11540 O OG . SER H 195 ? 0.4656 0.7187 0.5289 0.0731 -0.0718 0.1233 194 SER H OG 11541 N N . ALA H 196 ? 0.4704 0.7220 0.5685 0.0236 -0.1105 0.1369 195 ALA H N 11542 C CA . ALA H 196 ? 0.4736 0.7481 0.5828 0.0281 -0.1232 0.1333 195 ALA H CA 11543 C C . ALA H 196 ? 0.4711 0.7636 0.5809 0.0613 -0.1172 0.1324 195 ALA H C 11544 O O . ALA H 196 ? 0.4738 0.7538 0.5748 0.0753 -0.1254 0.1297 195 ALA H O 11545 C CB . ALA H 196 ? 0.4780 0.8060 0.6216 0.0055 -0.1299 0.1412 195 ALA H CB 11546 N N . THR H 197 ? 0.4708 0.7919 0.5914 0.0742 -0.1015 0.1351 196 THR H N 11547 C CA . THR H 197 ? 0.4771 0.8123 0.6042 0.1074 -0.0918 0.1315 196 THR H CA 11548 C C . THR H 197 ? 0.4839 0.7579 0.5832 0.1248 -0.0902 0.1212 196 THR H C 11549 O O . THR H 197 ? 0.4930 0.7623 0.5976 0.1465 -0.0931 0.1234 196 THR H O 11550 C CB . THR H 197 ? 0.4795 0.8500 0.6170 0.1170 -0.0716 0.1290 196 THR H CB 11551 O OG1 . THR H 197 ? 0.4763 0.8951 0.6333 0.0927 -0.0710 0.1414 196 THR H OG1 11552 C CG2 . THR H 197 ? 0.4896 0.8927 0.6502 0.1504 -0.0621 0.1262 196 THR H CG2 11553 N N . PHE H 198 ? 0.4818 0.7123 0.5542 0.1146 -0.0858 0.1131 197 PHE H N 11554 C CA . PHE H 198 ? 0.4889 0.6645 0.5364 0.1269 -0.0827 0.1025 197 PHE H CA 11555 C C . PHE H 198 ? 0.4909 0.6362 0.5276 0.1261 -0.0971 0.1066 197 PHE H C 11556 O O . PHE H 198 ? 0.5024 0.6206 0.5330 0.1441 -0.0951 0.1053 197 PHE H O 11557 C CB . PHE H 198 ? 0.4862 0.6351 0.5103 0.1138 -0.0763 0.0948 197 PHE H CB 11558 C CG . PHE H 198 ? 0.4991 0.6035 0.5026 0.1255 -0.0696 0.0807 197 PHE H CG 11559 C CD1 . PHE H 198 ? 0.4981 0.5584 0.4806 0.1168 -0.0771 0.0796 197 PHE H CD1 11560 C CD2 . PHE H 198 ? 0.5159 0.6234 0.5235 0.1442 -0.0548 0.0665 197 PHE H CD2 11561 C CE1 . PHE H 198 ? 0.5087 0.5316 0.4756 0.1241 -0.0710 0.0674 197 PHE H CE1 11562 C CE2 . PHE H 198 ? 0.5310 0.5951 0.5229 0.1510 -0.0485 0.0509 197 PHE H CE2 11563 C CZ . PHE H 198 ? 0.5270 0.5501 0.4990 0.1397 -0.0572 0.0528 197 PHE H CZ 11564 N N . TRP H 199 ? 0.4850 0.6358 0.5202 0.1045 -0.1105 0.1111 198 TRP H N 11565 C CA . TRP H 199 ? 0.4883 0.6233 0.5117 0.1017 -0.1245 0.1127 198 TRP H CA 11566 C C . TRP H 199 ? 0.4976 0.6718 0.5388 0.1172 -0.1324 0.1239 198 TRP H C 11567 O O . TRP H 199 ? 0.5077 0.6685 0.5376 0.1281 -0.1384 0.1294 198 TRP H O 11568 C CB . TRP H 199 ? 0.4855 0.6169 0.5043 0.0736 -0.1351 0.1085 198 TRP H CB 11569 C CG . TRP H 199 ? 0.4915 0.6264 0.5011 0.0686 -0.1501 0.1066 198 TRP H CG 11570 C CD1 . TRP H 199 ? 0.4923 0.6716 0.5167 0.0570 -0.1636 0.1078 198 TRP H CD1 11571 C CD2 . TRP H 199 ? 0.4953 0.5959 0.4778 0.0741 -0.1529 0.1028 198 TRP H CD2 11572 N NE1 . TRP H 199 ? 0.5033 0.6797 0.5085 0.0551 -0.1751 0.1034 198 TRP H NE1 11573 C CE2 . TRP H 199 ? 0.5043 0.6326 0.4835 0.0662 -0.1680 0.1016 198 TRP H CE2 11574 C CE3 . TRP H 199 ? 0.4929 0.5476 0.4542 0.0832 -0.1441 0.1002 198 TRP H CE3 11575 C CZ2 . TRP H 199 ? 0.5165 0.6294 0.4695 0.0686 -0.1733 0.0990 198 TRP H CZ2 11576 C CZ3 . TRP H 199 ? 0.5019 0.5389 0.4409 0.0849 -0.1490 0.0990 198 TRP H CZ3 11577 C CH2 . TRP H 199 ? 0.5140 0.5806 0.4479 0.0784 -0.1629 0.0991 198 TRP H CH2 11578 N N . GLN H 200 ? 0.4947 0.7225 0.5652 0.1185 -0.1322 0.1302 199 GLN H N 11579 C CA . GLN H 200 ? 0.5026 0.7801 0.5959 0.1339 -0.1409 0.1438 199 GLN H CA 11580 C C . GLN H 200 ? 0.5180 0.7845 0.6193 0.1702 -0.1307 0.1523 199 GLN H C 11581 O O . GLN H 200 ? 0.5322 0.8338 0.6521 0.1888 -0.1377 0.1688 199 GLN H O 11582 C CB . GLN H 200 ? 0.4958 0.8399 0.6228 0.1242 -0.1427 0.1486 199 GLN H CB 11583 C CG . GLN H 200 ? 0.4869 0.8509 0.6155 0.0877 -0.1578 0.1439 199 GLN H CG 11584 C CD . GLN H 200 ? 0.4710 0.8902 0.6332 0.0713 -0.1551 0.1479 199 GLN H CD 11585 O OE1 . GLN H 200 ? 0.4596 0.9008 0.6390 0.0861 -0.1398 0.1530 199 GLN H OE1 11586 N NE2 . GLN H 200 ? 0.4723 0.9154 0.6446 0.0390 -0.1690 0.1443 199 GLN H NE2 11587 N N . ASN H 201 ? 0.5222 0.7406 0.6115 0.1798 -0.1144 0.1414 200 ASN H N 11588 C CA . ASN H 201 ? 0.5430 0.7363 0.6411 0.2115 -0.1017 0.1440 200 ASN H CA 11589 C C . ASN H 201 ? 0.5568 0.7058 0.6350 0.2170 -0.1079 0.1532 200 ASN H C 11590 O O . ASN H 201 ? 0.5526 0.6556 0.6022 0.2020 -0.1069 0.1428 200 ASN H O 11591 C CB . ASN H 201 ? 0.5467 0.7094 0.6383 0.2138 -0.0821 0.1229 200 ASN H CB 11592 C CG . ASN H 201 ? 0.5767 0.7160 0.6851 0.2459 -0.0656 0.1185 200 ASN H CG 11593 O OD1 . ASN H 201 ? 0.6039 0.7400 0.7294 0.2686 -0.0681 0.1357 200 ASN H OD1 11594 N ND2 . ASN H 201 ? 0.5848 0.7079 0.6890 0.2478 -0.0481 0.0953 200 ASN H ND2 11595 N N . PRO H 202 ? 0.5762 0.7439 0.6713 0.2392 -0.1139 0.1759 201 PRO H N 11596 C CA . PRO H 202 ? 0.5946 0.7302 0.6721 0.2443 -0.1201 0.1918 201 PRO H CA 11597 C C . PRO H 202 ? 0.6164 0.6816 0.6871 0.2555 -0.1035 0.1856 201 PRO H C 11598 O O . PRO H 202 ? 0.6316 0.6653 0.6871 0.2564 -0.1061 0.1990 201 PRO H O 11599 C CB . PRO H 202 ? 0.6116 0.7956 0.7171 0.2696 -0.1286 0.2222 201 PRO H CB 11600 C CG . PRO H 202 ? 0.6122 0.8272 0.7556 0.2893 -0.1175 0.2186 201 PRO H CG 11601 C CD . PRO H 202 ? 0.5843 0.8098 0.7186 0.2626 -0.1143 0.1916 201 PRO H CD 11602 N N . ARG H 203 ? 0.6217 0.6667 0.7034 0.2618 -0.0862 0.1646 202 ARG H N 11603 C CA . ARG H 203 ? 0.6488 0.6299 0.7280 0.2699 -0.0695 0.1522 202 ARG H CA 11604 C C . ARG H 203 ? 0.6320 0.5787 0.6785 0.2421 -0.0670 0.1284 202 ARG H C 11605 O O . ARG H 203 ? 0.6509 0.5490 0.6932 0.2426 -0.0544 0.1137 202 ARG H O 11606 C CB . ARG H 203 ? 0.6710 0.6516 0.7817 0.2946 -0.0507 0.1384 202 ARG H CB 11607 C CG . ARG H 203 ? 0.7067 0.7077 0.8563 0.3296 -0.0492 0.1645 202 ARG H CG 11608 C CD . ARG H 203 ? 0.7474 0.7473 0.9305 0.3563 -0.0278 0.1463 202 ARG H CD 11609 N NE . ARG H 203 ? 0.7861 0.7147 0.9654 0.3583 -0.0090 0.1205 202 ARG H NE 11610 C CZ . ARG H 203 ? 0.8334 0.7330 1.0456 0.3874 0.0115 0.1081 202 ARG H CZ 11611 N NH1 . ARG H 203 ? 0.8458 0.7833 1.0990 0.4211 0.0169 0.1224 202 ARG H NH1 11612 N NH2 . ARG H 203 ? 0.8653 0.6988 1.0719 0.3826 0.0273 0.0799 202 ARG H NH2 11613 N N . ASN H 204 ? 0.6005 0.5730 0.6269 0.2180 -0.0790 0.1247 203 ASN H N 11614 C CA . ASN H 204 ? 0.5856 0.5327 0.5844 0.1939 -0.0780 0.1071 203 ASN H CA 11615 C C . ASN H 204 ? 0.5838 0.5106 0.5588 0.1804 -0.0884 0.1166 203 ASN H C 11616 O O . ASN H 204 ? 0.5786 0.5324 0.5485 0.1751 -0.1020 0.1292 203 ASN H O 11617 C CB . ASN H 204 ? 0.5585 0.5414 0.5544 0.1771 -0.0810 0.0970 203 ASN H CB 11618 C CG . ASN H 204 ? 0.5630 0.5665 0.5757 0.1868 -0.0670 0.0835 203 ASN H CG 11619 O OD1 . ASN H 204 ? 0.5834 0.5633 0.6034 0.2020 -0.0531 0.0714 203 ASN H OD1 11620 N ND2 . ASN H 204 ? 0.5446 0.5930 0.5644 0.1769 -0.0696 0.0842 203 ASN H ND2 11621 N N . HIS H 205 ? 0.5927 0.4764 0.5536 0.1740 -0.0813 0.1082 204 HIS H N 11622 C CA . HIS H 205 ? 0.5918 0.4578 0.5311 0.1620 -0.0877 0.1160 204 HIS H CA 11623 C C . HIS H 205 ? 0.5671 0.4327 0.4868 0.1404 -0.0904 0.1006 204 HIS H C 11624 O O . HIS H 205 ? 0.5642 0.4146 0.4810 0.1338 -0.0823 0.0848 204 HIS H O 11625 C CB . HIS H 205 ? 0.6213 0.4427 0.5624 0.1679 -0.0776 0.1206 204 HIS H CB 11626 C CG . HIS H 205 ? 0.6361 0.4478 0.5595 0.1601 -0.0829 0.1364 204 HIS H CG 11627 N ND1 . HIS H 205 ? 0.6595 0.4885 0.5830 0.1701 -0.0905 0.1632 204 HIS H ND1 11628 C CD2 . HIS H 205 ? 0.6408 0.4341 0.5460 0.1437 -0.0811 0.1301 204 HIS H CD2 11629 C CE1 . HIS H 205 ? 0.6684 0.4897 0.5720 0.1596 -0.0922 0.1720 204 HIS H CE1 11630 N NE2 . HIS H 205 ? 0.6587 0.4576 0.5526 0.1438 -0.0861 0.1518 204 HIS H NE2 11631 N N . PHE H 206 ? 0.5536 0.4382 0.4614 0.1300 -0.1018 0.1047 205 PHE H N 11632 C CA . PHE H 206 ? 0.5358 0.4184 0.4302 0.1126 -0.1042 0.0928 205 PHE H CA 11633 C C . PHE H 206 ? 0.5419 0.4073 0.4174 0.1059 -0.1054 0.0943 205 PHE H C 11634 O O . PHE H 206 ? 0.5507 0.4246 0.4185 0.1088 -0.1111 0.1050 205 PHE H O 11635 C CB . PHE H 206 ? 0.5233 0.4357 0.4227 0.1040 -0.1137 0.0914 205 PHE H CB 11636 C CG . PHE H 206 ? 0.5194 0.4568 0.4389 0.1080 -0.1117 0.0914 205 PHE H CG 11637 C CD1 . PHE H 206 ? 0.5273 0.4916 0.4629 0.1204 -0.1151 0.1013 205 PHE H CD1 11638 C CD2 . PHE H 206 ? 0.5126 0.4531 0.4359 0.1001 -0.1060 0.0840 205 PHE H CD2 11639 C CE1 . PHE H 206 ? 0.5272 0.5208 0.4837 0.1249 -0.1116 0.1012 205 PHE H CE1 11640 C CE2 . PHE H 206 ? 0.5106 0.4808 0.4516 0.1031 -0.1024 0.0850 205 PHE H CE2 11641 C CZ . PHE H 206 ? 0.5197 0.5164 0.4780 0.1155 -0.1046 0.0922 205 PHE H CZ 11642 N N . ARG H 207 ? 0.5349 0.3836 0.4033 0.0971 -0.1000 0.0847 206 ARG H N 11643 C CA . ARG H 207 ? 0.5415 0.3779 0.3952 0.0914 -0.0987 0.0855 206 ARG H CA 11644 C C . ARG H 207 ? 0.5292 0.3640 0.3789 0.0816 -0.0976 0.0749 206 ARG H C 11645 O O . ARG H 207 ? 0.5229 0.3549 0.3781 0.0785 -0.0932 0.0693 206 ARG H O 11646 C CB . ARG H 207 ? 0.5582 0.3721 0.4128 0.0945 -0.0902 0.0914 206 ARG H CB 11647 C CG . ARG H 207 ? 0.5667 0.3744 0.4083 0.0879 -0.0876 0.0959 206 ARG H CG 11648 C CD . ARG H 207 ? 0.5859 0.3692 0.4332 0.0864 -0.0782 0.1023 206 ARG H CD 11649 N NE . ARG H 207 ? 0.6081 0.3809 0.4635 0.0978 -0.0767 0.1204 206 ARG H NE 11650 C CZ . ARG H 207 ? 0.6229 0.4034 0.4704 0.1019 -0.0786 0.1420 206 ARG H CZ 11651 N NH1 . ARG H 207 ? 0.6456 0.4174 0.5049 0.1149 -0.0772 0.1630 206 ARG H NH1 11652 N NH2 . ARG H 207 ? 0.6155 0.4153 0.4441 0.0946 -0.0811 0.1435 206 ARG H NH2 11653 N N . CYS H 208 ? 0.5328 0.3724 0.3734 0.0777 -0.1012 0.0721 207 CYS H N 11654 C CA . CYS H 208 ? 0.5283 0.3643 0.3685 0.0725 -0.0987 0.0645 207 CYS H CA 11655 C C . CYS H 208 ? 0.5300 0.3607 0.3620 0.0716 -0.0921 0.0662 207 CYS H C 11656 O O . CYS H 208 ? 0.5423 0.3768 0.3624 0.0726 -0.0914 0.0693 207 CYS H O 11657 C CB . CYS H 208 ? 0.5332 0.3737 0.3719 0.0696 -0.1036 0.0561 207 CYS H CB 11658 S SG . CYS H 208 ? 0.5633 0.3958 0.4047 0.0691 -0.0975 0.0484 207 CYS H SG 11659 N N . GLN H 209 ? 0.5201 0.3487 0.3584 0.0683 -0.0873 0.0648 208 GLN H N 11660 C CA . GLN H 209 ? 0.5236 0.3525 0.3589 0.0644 -0.0808 0.0664 208 GLN H CA 11661 C C . GLN H 209 ? 0.5160 0.3562 0.3558 0.0646 -0.0789 0.0622 208 GLN H C 11662 O O . GLN H 209 ? 0.5082 0.3534 0.3582 0.0657 -0.0812 0.0609 208 GLN H O 11663 C CB . GLN H 209 ? 0.5263 0.3492 0.3683 0.0585 -0.0768 0.0659 208 GLN H CB 11664 C CG . GLN H 209 ? 0.5329 0.3619 0.3775 0.0496 -0.0709 0.0657 208 GLN H CG 11665 C CD . GLN H 209 ? 0.5411 0.3634 0.3935 0.0397 -0.0674 0.0594 208 GLN H CD 11666 O OE1 . GLN H 209 ? 0.5634 0.3640 0.4178 0.0374 -0.0632 0.0618 208 GLN H OE1 11667 N NE2 . GLN H 209 ? 0.5277 0.3700 0.3858 0.0337 -0.0690 0.0511 208 GLN H NE2 11668 N N . VAL H 210 ? 0.5212 0.3683 0.3552 0.0648 -0.0738 0.0624 209 VAL H N 11669 C CA . VAL H 210 ? 0.5160 0.3770 0.3584 0.0677 -0.0694 0.0590 209 VAL H CA 11670 C C . VAL H 210 ? 0.5165 0.3924 0.3619 0.0608 -0.0626 0.0639 209 VAL H C 11671 O O . VAL H 210 ? 0.5287 0.4065 0.3644 0.0571 -0.0576 0.0685 209 VAL H O 11672 C CB . VAL H 210 ? 0.5274 0.3900 0.3645 0.0755 -0.0672 0.0498 209 VAL H CB 11673 C CG1 . VAL H 210 ? 0.5276 0.4049 0.3778 0.0822 -0.0600 0.0467 209 VAL H CG1 11674 C CG2 . VAL H 210 ? 0.5300 0.3778 0.3702 0.0784 -0.0739 0.0429 209 VAL H CG2 11675 N N . GLN H 211 ? 0.5062 0.3970 0.3659 0.0575 -0.0629 0.0648 210 GLN H N 11676 C CA . GLN H 211 ? 0.5082 0.4211 0.3759 0.0486 -0.0572 0.0679 210 GLN H CA 11677 C C . GLN H 211 ? 0.5068 0.4433 0.3833 0.0589 -0.0515 0.0677 210 GLN H C 11678 O O . GLN H 211 ? 0.5010 0.4474 0.3911 0.0693 -0.0536 0.0678 210 GLN H O 11679 C CB . GLN H 211 ? 0.5011 0.4284 0.3800 0.0387 -0.0615 0.0666 210 GLN H CB 11680 C CG . GLN H 211 ? 0.5108 0.4684 0.4021 0.0257 -0.0576 0.0677 210 GLN H CG 11681 C CD . GLN H 211 ? 0.5398 0.4817 0.4278 0.0088 -0.0520 0.0676 210 GLN H CD 11682 O OE1 . GLN H 211 ? 0.5564 0.5083 0.4467 0.0043 -0.0443 0.0744 210 GLN H OE1 11683 N NE2 . GLN H 211 ? 0.5531 0.4701 0.4377 0.0000 -0.0545 0.0607 210 GLN H NE2 11684 N N . PHE H 212 ? 0.5164 0.4626 0.3865 0.0574 -0.0429 0.0690 211 PHE H N 11685 C CA . PHE H 212 ? 0.5203 0.4934 0.3992 0.0682 -0.0343 0.0663 211 PHE H CA 11686 C C . PHE H 212 ? 0.5189 0.5293 0.4153 0.0587 -0.0291 0.0735 211 PHE H C 11687 O O . PHE H 212 ? 0.5250 0.5374 0.4186 0.0407 -0.0272 0.0798 211 PHE H O 11688 C CB . PHE H 212 ? 0.5373 0.5093 0.3964 0.0722 -0.0268 0.0617 211 PHE H CB 11689 C CG . PHE H 212 ? 0.5435 0.5478 0.4099 0.0829 -0.0145 0.0557 211 PHE H CG 11690 C CD1 . PHE H 212 ? 0.5473 0.5497 0.4249 0.1018 -0.0118 0.0420 211 PHE H CD1 11691 C CD2 . PHE H 212 ? 0.5440 0.5800 0.4085 0.0743 -0.0040 0.0641 211 PHE H CD2 11692 C CE1 . PHE H 212 ? 0.5552 0.5872 0.4420 0.1148 0.0016 0.0335 211 PHE H CE1 11693 C CE2 . PHE H 212 ? 0.5498 0.6220 0.4218 0.0855 0.0092 0.0576 211 PHE H CE2 11694 C CZ . PHE H 212 ? 0.5611 0.6314 0.4441 0.1071 0.0124 0.0407 211 PHE H CZ 11695 N N . TYR H 213 ? 0.5146 0.5548 0.4323 0.0707 -0.0265 0.0736 212 TYR H N 11696 C CA . TYR H 213 ? 0.5122 0.5993 0.4505 0.0629 -0.0216 0.0807 212 TYR H CA 11697 C C . TYR H 213 ? 0.5233 0.6399 0.4681 0.0756 -0.0073 0.0786 212 TYR H C 11698 O O . TYR H 213 ? 0.5269 0.6457 0.4814 0.0987 -0.0030 0.0720 212 TYR H O 11699 C CB . TYR H 213 ? 0.4998 0.6135 0.4618 0.0669 -0.0301 0.0863 212 TYR H CB 11700 C CG . TYR H 213 ? 0.4946 0.5936 0.4494 0.0507 -0.0424 0.0861 212 TYR H CG 11701 C CD1 . TYR H 213 ? 0.4901 0.5564 0.4350 0.0590 -0.0502 0.0845 212 TYR H CD1 11702 C CD2 . TYR H 213 ? 0.4959 0.6153 0.4550 0.0257 -0.0450 0.0853 212 TYR H CD2 11703 C CE1 . TYR H 213 ? 0.4871 0.5457 0.4245 0.0455 -0.0594 0.0823 212 TYR H CE1 11704 C CE2 . TYR H 213 ? 0.4933 0.6002 0.4450 0.0113 -0.0545 0.0792 212 TYR H CE2 11705 C CZ . TYR H 213 ? 0.4890 0.5676 0.4289 0.0226 -0.0612 0.0778 212 TYR H CZ 11706 O OH . TYR H 213 ? 0.4965 0.5681 0.4283 0.0099 -0.0686 0.0700 212 TYR H OH 11707 N N . GLY H 214 ? 0.5314 0.6695 0.4722 0.0602 0.0015 0.0842 213 GLY H N 11708 C CA . GLY H 214 ? 0.5457 0.7208 0.4904 0.0696 0.0173 0.0829 213 GLY H CA 11709 C C . GLY H 214 ? 0.5481 0.7737 0.5130 0.0514 0.0242 0.0953 213 GLY H C 11710 O O . GLY H 214 ? 0.5365 0.7907 0.5276 0.0456 0.0180 0.1000 213 GLY H O 11711 N N . LEU H 215 ? 0.5669 0.8081 0.5200 0.0407 0.0366 0.1020 214 LEU H N 11712 C CA . LEU H 215 ? 0.5750 0.8673 0.5489 0.0208 0.0459 0.1155 214 LEU H CA 11713 C C . LEU H 215 ? 0.5813 0.8518 0.5567 -0.0131 0.0390 0.1270 214 LEU H C 11714 O O . LEU H 215 ? 0.5847 0.8003 0.5387 -0.0192 0.0314 0.1272 214 LEU H O 11715 C CB . LEU H 215 ? 0.5966 0.9211 0.5581 0.0245 0.0649 0.1202 214 LEU H CB 11716 C CG . LEU H 215 ? 0.6011 0.9791 0.5775 0.0505 0.0798 0.1099 214 LEU H CG 11717 C CD1 . LEU H 215 ? 0.5945 0.9451 0.5687 0.0835 0.0756 0.0880 214 LEU H CD1 11718 C CD2 . LEU H 215 ? 0.6269 1.0363 0.5826 0.0489 0.0987 0.1143 214 LEU H CD2 11719 N N . SER H 216 ? 0.5868 0.9017 0.5909 -0.0350 0.0420 0.1352 215 SER H N 11720 C CA . SER H 216 ? 0.6051 0.9015 0.6160 -0.0713 0.0394 0.1440 215 SER H CA 11721 C C . SER H 216 ? 0.6349 0.9510 0.6454 -0.0883 0.0566 0.1642 215 SER H C 11722 O O . SER H 216 ? 0.6402 0.9918 0.6430 -0.0712 0.0698 0.1690 215 SER H O 11723 C CB . SER H 216 ? 0.5953 0.9292 0.6393 -0.0911 0.0306 0.1382 215 SER H CB 11724 O OG . SER H 216 ? 0.5960 1.0050 0.6693 -0.0971 0.0408 0.1467 215 SER H OG 11725 N N . GLU H 217 ? 0.6607 0.9540 0.6805 -0.1220 0.0576 0.1759 216 GLU H N 11726 C CA . GLU H 217 ? 0.6946 1.0023 0.7170 -0.1421 0.0742 0.2018 216 GLU H CA 11727 C C . GLU H 217 ? 0.6979 1.0855 0.7539 -0.1585 0.0860 0.2101 216 GLU H C 11728 O O . GLU H 217 ? 0.7243 1.1382 0.7844 -0.1740 0.1022 0.2338 216 GLU H O 11729 C CB . GLU H 217 ? 0.7263 0.9711 0.7512 -0.1711 0.0724 0.2139 216 GLU H CB 11730 C CG . GLU H 217 ? 0.7427 0.9231 0.7333 -0.1542 0.0695 0.2221 216 GLU H CG 11731 C CD . GLU H 217 ? 0.7244 0.8608 0.6990 -0.1327 0.0524 0.1967 216 GLU H CD 11732 O OE1 . GLU H 217 ? 0.7413 0.8165 0.7116 -0.1385 0.0462 0.1967 216 GLU H OE1 11733 O OE2 . GLU H 217 ? 0.6934 0.8564 0.6624 -0.1095 0.0462 0.1781 216 GLU H OE2 11734 N N . ASN H 218 ? 0.6746 1.1062 0.7557 -0.1548 0.0780 0.1935 217 ASN H N 11735 C CA . ASN H 218 ? 0.6748 1.1929 0.7924 -0.1669 0.0877 0.2003 217 ASN H CA 11736 C C . ASN H 218 ? 0.6601 1.2372 0.7766 -0.1290 0.0988 0.1978 217 ASN H C 11737 O O . ASN H 218 ? 0.6620 1.3173 0.8076 -0.1333 0.1111 0.2059 217 ASN H O 11738 C CB . ASN H 218 ? 0.6622 1.2083 0.8135 -0.1873 0.0727 0.1865 217 ASN H CB 11739 N N . ASP H 219 ? 0.6480 1.1876 0.7335 -0.0926 0.0953 0.1848 218 ASP H N 11740 C CA . ASP H 219 ? 0.6409 1.2216 0.7238 -0.0542 0.1066 0.1760 218 ASP H CA 11741 C C . ASP H 219 ? 0.6652 1.2644 0.7244 -0.0502 0.1276 0.1866 218 ASP H C 11742 O O . ASP H 219 ? 0.6833 1.2414 0.7153 -0.0668 0.1288 0.2003 218 ASP H O 11743 C CB . ASP H 219 ? 0.6253 1.1553 0.6880 -0.0202 0.0943 0.1553 218 ASP H CB 11744 C CG . ASP H 219 ? 0.6049 1.1321 0.6911 -0.0184 0.0754 0.1475 218 ASP H CG 11745 O OD1 . ASP H 219 ? 0.6003 1.1915 0.7242 -0.0260 0.0749 0.1526 218 ASP H OD1 11746 O OD2 . ASP H 219 ? 0.5942 1.0617 0.6612 -0.0096 0.0609 0.1376 218 ASP H OD2 11747 N N . GLU H 220 ? 0.6677 1.3324 0.7380 -0.0267 0.1444 0.1810 219 GLU H N 11748 C CA . GLU H 220 ? 0.6942 1.3917 0.7406 -0.0203 0.1664 0.1873 219 GLU H CA 11749 C C . GLU H 220 ? 0.7012 1.3554 0.7042 0.0108 0.1661 0.1657 219 GLU H C 11750 O O . GLU H 220 ? 0.6842 1.3074 0.6888 0.0380 0.1561 0.1417 219 GLU H O 11751 C CB . GLU H 220 ? 0.6985 1.4926 0.7775 -0.0091 0.1873 0.1876 219 GLU H CB 11752 N N . TRP H 221 ? 0.7285 1.3842 0.6942 0.0050 0.1769 0.1759 220 TRP H N 11753 C CA . TRP H 221 ? 0.7412 1.3661 0.6624 0.0288 0.1767 0.1552 220 TRP H CA 11754 C C . TRP H 221 ? 0.7782 1.4568 0.6687 0.0259 0.1978 0.1664 220 TRP H C 11755 O O . TRP H 221 ? 0.7949 1.4827 0.6768 -0.0023 0.2017 0.2015 220 TRP H O 11756 C CB . TRP H 221 ? 0.7321 1.2724 0.6289 0.0198 0.1544 0.1586 220 TRP H CB 11757 C CG . TRP H 221 ? 0.7417 1.2503 0.5967 0.0413 0.1503 0.1361 220 TRP H CG 11758 C CD1 . TRP H 221 ? 0.7675 1.2701 0.5808 0.0350 0.1511 0.1475 220 TRP H CD1 11759 C CD2 . TRP H 221 ? 0.7309 1.2119 0.5842 0.0706 0.1442 0.0993 220 TRP H CD2 11760 N NE1 . TRP H 221 ? 0.7725 1.2499 0.5571 0.0567 0.1448 0.1168 220 TRP H NE1 11761 C CE2 . TRP H 221 ? 0.7520 1.2118 0.5614 0.0779 0.1412 0.0861 220 TRP H CE2 11762 C CE3 . TRP H 221 ? 0.7123 1.1860 0.5991 0.0910 0.1408 0.0787 220 TRP H CE3 11763 C CZ2 . TRP H 221 ? 0.7558 1.1834 0.5551 0.1016 0.1355 0.0493 220 TRP H CZ2 11764 C CZ3 . TRP H 221 ? 0.7160 1.1535 0.5938 0.1170 0.1363 0.0464 220 TRP H CZ3 11765 C CH2 . TRP H 221 ? 0.7384 1.1514 0.5733 0.1205 0.1340 0.0301 220 TRP H CH2 11766 N N . THR H 222 ? 0.7947 1.5094 0.6698 0.0552 0.2123 0.1365 221 THR H N 11767 C CA . THR H 222 ? 0.8334 1.6161 0.6789 0.0557 0.2353 0.1414 221 THR H CA 11768 C C . THR H 222 ? 0.8597 1.6264 0.6529 0.0741 0.2346 0.1133 221 THR H C 11769 O O . THR H 222 ? 0.8960 1.7179 0.6542 0.0723 0.2505 0.1179 221 THR H O 11770 C CB . THR H 222 ? 0.8417 1.7106 0.7178 0.0718 0.2608 0.1291 221 THR H CB 11771 O OG1 . THR H 222 ? 0.8322 1.6850 0.7252 0.1085 0.2605 0.0857 221 THR H OG1 11772 C CG2 . THR H 222 ? 0.8219 1.7262 0.7486 0.0475 0.2631 0.1611 221 THR H CG2 11773 N N . GLN H 223 ? 0.8441 1.5405 0.6321 0.0897 0.2159 0.0849 222 GLN H N 11774 C CA . GLN H 223 ? 0.8694 1.5470 0.6138 0.1059 0.2128 0.0513 222 GLN H CA 11775 C C . GLN H 223 ? 0.8914 1.5687 0.5879 0.0861 0.2054 0.0774 222 GLN H C 11776 O O . GLN H 223 ? 0.8820 1.5416 0.5834 0.0616 0.1965 0.1216 222 GLN H O 11777 C CB . GLN H 223 ? 0.8458 1.4439 0.6021 0.1213 0.1927 0.0224 222 GLN H CB 11778 C CG . GLN H 223 ? 0.8311 1.4237 0.6368 0.1437 0.1973 0.0017 222 GLN H CG 11779 C CD . GLN H 223 ? 0.8647 1.4705 0.6685 0.1759 0.2130 -0.0477 222 GLN H CD 11780 O OE1 . GLN H 223 ? 0.8666 1.4145 0.6740 0.1916 0.2028 -0.0770 222 GLN H OE1 11781 N NE2 . GLN H 223 ? 0.8928 1.5747 0.6929 0.1854 0.2393 -0.0580 222 GLN H NE2 11782 N N . ASP H 224 ? 0.9249 1.6227 0.5770 0.0974 0.2091 0.0493 223 ASP H N 11783 C CA . ASP H 224 ? 0.9484 1.6556 0.5524 0.0827 0.2007 0.0723 223 ASP H CA 11784 C C . ASP H 224 ? 0.9244 1.5505 0.5235 0.0770 0.1717 0.0783 223 ASP H C 11785 O O . ASP H 224 ? 0.9397 1.5668 0.5074 0.0649 0.1614 0.1057 223 ASP H O 11786 C CB . ASP H 224 ? 0.9957 1.7643 0.5522 0.0951 0.2138 0.0365 223 ASP H CB 11787 N N . ARG H 225 ? 0.8892 1.4506 0.5206 0.0868 0.1595 0.0553 224 ARG H N 11788 C CA . ARG H 225 ? 0.8622 1.3482 0.4971 0.0811 0.1338 0.0626 224 ARG H CA 11789 C C . ARG H 225 ? 0.8375 1.2948 0.4988 0.0608 0.1265 0.1102 224 ARG H C 11790 O O . ARG H 225 ? 0.8421 1.3364 0.5204 0.0491 0.1406 0.1366 224 ARG H O 11791 C CB . ARG H 225 ? 0.8384 1.2712 0.4979 0.0987 0.1252 0.0219 224 ARG H CB 11792 N N . ALA H 226 ? 0.8156 1.2085 0.4816 0.0557 0.1055 0.1189 225 ALA H N 11793 C CA . ALA H 226 ? 0.7961 1.1516 0.4888 0.0374 0.0981 0.1553 225 ALA H CA 11794 C C . ALA H 226 ? 0.7597 1.0824 0.4940 0.0400 0.0936 0.1396 225 ALA H C 11795 O O . ALA H 226 ? 0.7446 1.0456 0.4845 0.0572 0.0873 0.1061 225 ALA H O 11796 C CB . ALA H 226 ? 0.7964 1.1050 0.4738 0.0323 0.0797 0.1732 225 ALA H CB 11797 N N . LYS H 227 ? 0.7484 1.0695 0.5125 0.0217 0.0966 0.1648 226 LYS H N 11798 C CA . LYS H 227 ? 0.7152 1.0171 0.5184 0.0207 0.0912 0.1537 226 LYS H CA 11799 C C . LYS H 227 ? 0.6876 0.9294 0.4929 0.0306 0.0718 0.1345 226 LYS H C 11800 O O . LYS H 227 ? 0.6874 0.8850 0.4826 0.0227 0.0596 0.1462 226 LYS H O 11801 C CB . LYS H 227 ? 0.7145 1.0155 0.5459 -0.0069 0.0932 0.1830 226 LYS H CB 11802 C CG . LYS H 227 ? 0.7259 1.0936 0.5792 -0.0157 0.1117 0.1923 226 LYS H CG 11803 C CD . LYS H 227 ? 0.7232 1.0867 0.6142 -0.0442 0.1101 0.2103 226 LYS H CD 11804 C CE . LYS H 227 ? 0.6889 1.0518 0.6111 -0.0380 0.1004 0.1876 226 LYS H CE 11805 N NZ . LYS H 227 ? 0.6926 1.0574 0.6494 -0.0694 0.0975 0.2007 226 LYS H NZ 11806 N N . PRO H 228 ? 0.6680 0.9100 0.4889 0.0491 0.0701 0.1072 227 PRO H N 11807 C CA . PRO H 228 ? 0.6443 0.8356 0.4718 0.0578 0.0535 0.0920 227 PRO H CA 11808 C C . PRO H 228 ? 0.6192 0.7957 0.4771 0.0445 0.0448 0.1023 227 PRO H C 11809 O O . PRO H 228 ? 0.6025 0.7847 0.4846 0.0546 0.0417 0.0914 227 PRO H O 11810 C CB . PRO H 228 ? 0.6460 0.8495 0.4810 0.0833 0.0590 0.0628 227 PRO H CB 11811 C CG . PRO H 228 ? 0.6645 0.9299 0.5053 0.0884 0.0795 0.0618 227 PRO H CG 11812 C CD . PRO H 228 ? 0.6723 0.9653 0.5093 0.0640 0.0857 0.0922 227 PRO H CD 11813 N N . VAL H 229 ? 0.6208 0.7802 0.4781 0.0219 0.0415 0.1233 228 VAL H N 11814 C CA . VAL H 229 ? 0.6040 0.7497 0.4873 0.0047 0.0337 0.1286 228 VAL H CA 11815 C C . VAL H 229 ? 0.5841 0.6842 0.4661 0.0116 0.0173 0.1158 228 VAL H C 11816 O O . VAL H 229 ? 0.5840 0.6546 0.4448 0.0244 0.0114 0.1088 228 VAL H O 11817 C CB . VAL H 229 ? 0.6237 0.7575 0.5103 -0.0229 0.0373 0.1522 228 VAL H CB 11818 C CG1 . VAL H 229 ? 0.6394 0.8265 0.5368 -0.0354 0.0540 0.1683 228 VAL H CG1 11819 C CG2 . VAL H 229 ? 0.6372 0.7297 0.4969 -0.0215 0.0337 0.1641 228 VAL H CG2 11820 N N . THR H 230 ? 0.5668 0.6684 0.4719 0.0018 0.0102 0.1126 229 THR H N 11821 C CA . THR H 230 ? 0.5504 0.6154 0.4547 0.0034 -0.0039 0.1034 229 THR H CA 11822 C C . THR H 230 ? 0.5637 0.5809 0.4492 -0.0035 -0.0074 0.1094 229 THR H C 11823 O O . THR H 230 ? 0.5840 0.5917 0.4731 -0.0223 -0.0024 0.1220 229 THR H O 11824 C CB . THR H 230 ? 0.5414 0.6247 0.4703 -0.0134 -0.0097 0.1008 229 THR H CB 11825 O OG1 . THR H 230 ? 0.5276 0.6645 0.4780 -0.0056 -0.0064 0.1003 229 THR H OG1 11826 C CG2 . THR H 230 ? 0.5299 0.5851 0.4556 -0.0106 -0.0232 0.0903 229 THR H CG2 11827 N N . GLN H 231 ? 0.5560 0.5443 0.4253 0.0116 -0.0152 0.1021 230 GLN H N 11828 C CA . GLN H 231 ? 0.5680 0.5180 0.4211 0.0101 -0.0186 0.1095 230 GLN H CA 11829 C C . GLN H 231 ? 0.5550 0.4775 0.4004 0.0225 -0.0299 0.0984 230 GLN H C 11830 O O . GLN H 231 ? 0.5391 0.4696 0.3880 0.0337 -0.0344 0.0865 230 GLN H O 11831 C CB . GLN H 231 ? 0.5855 0.5465 0.4189 0.0145 -0.0111 0.1224 230 GLN H CB 11832 C CG . GLN H 231 ? 0.5783 0.5534 0.3946 0.0334 -0.0123 0.1089 230 GLN H CG 11833 C CD . GLN H 231 ? 0.5961 0.6012 0.3928 0.0356 -0.0024 0.1173 230 GLN H CD 11834 O OE1 . GLN H 231 ? 0.6112 0.6131 0.3851 0.0412 -0.0059 0.1204 230 GLN H OE1 11835 N NE2 . GLN H 231 ? 0.6038 0.6459 0.4093 0.0307 0.0100 0.1215 230 GLN H NE2 11836 N N . ILE H 232 ? 0.5651 0.4562 0.4032 0.0209 -0.0336 0.1049 231 ILE H N 11837 C CA . ILE H 232 ? 0.5557 0.4255 0.3878 0.0316 -0.0433 0.0970 231 ILE H CA 11838 C C . ILE H 232 ? 0.5651 0.4348 0.3777 0.0421 -0.0455 0.1031 231 ILE H C 11839 O O . ILE H 232 ? 0.5869 0.4566 0.3912 0.0395 -0.0414 0.1203 231 ILE H O 11840 C CB . ILE H 232 ? 0.5615 0.4018 0.4032 0.0247 -0.0459 0.0967 231 ILE H CB 11841 C CG1 . ILE H 232 ? 0.5525 0.4014 0.4087 0.0157 -0.0477 0.0826 231 ILE H CG1 11842 C CG2 . ILE H 232 ? 0.5556 0.3777 0.3903 0.0368 -0.0535 0.0951 231 ILE H CG2 11843 C CD1 . ILE H 232 ? 0.5782 0.4054 0.4461 0.0013 -0.0451 0.0778 231 ILE H CD1 11844 N N . VAL H 233 ? 0.5528 0.4256 0.3593 0.0526 -0.0520 0.0902 232 VAL H N 11845 C CA . VAL H 233 ? 0.5626 0.4394 0.3512 0.0599 -0.0567 0.0907 232 VAL H CA 11846 C C . VAL H 233 ? 0.5519 0.4121 0.3452 0.0645 -0.0670 0.0839 232 VAL H C 11847 O O . VAL H 233 ? 0.5372 0.3926 0.3411 0.0661 -0.0698 0.0716 232 VAL H O 11848 C CB . VAL H 233 ? 0.5689 0.4697 0.3456 0.0654 -0.0533 0.0767 232 VAL H CB 11849 C CG1 . VAL H 233 ? 0.5790 0.4926 0.3337 0.0688 -0.0587 0.0759 232 VAL H CG1 11850 C CG2 . VAL H 233 ? 0.5733 0.4979 0.3497 0.0619 -0.0410 0.0817 232 VAL H CG2 11851 N N . SER H 234 ? 0.5625 0.4178 0.3500 0.0672 -0.0720 0.0951 233 SER H N 11852 C CA . SER H 234 ? 0.5554 0.4002 0.3506 0.0713 -0.0805 0.0915 233 SER H CA 11853 C C . SER H 234 ? 0.5692 0.4297 0.3530 0.0765 -0.0888 0.0968 233 SER H C 11854 O O . SER H 234 ? 0.5888 0.4663 0.3577 0.0776 -0.0880 0.1093 233 SER H O 11855 C CB . SER H 234 ? 0.5559 0.3789 0.3658 0.0706 -0.0779 0.0993 233 SER H CB 11856 O OG . SER H 234 ? 0.5802 0.3960 0.3889 0.0719 -0.0738 0.1191 233 SER H OG 11857 N N . ALA H 235 ? 0.5612 0.4222 0.3526 0.0785 -0.0969 0.0887 234 ALA H N 11858 C CA . ALA H 235 ? 0.5736 0.4553 0.3595 0.0820 -0.1067 0.0935 234 ALA H CA 11859 C C . ALA H 235 ? 0.5684 0.4427 0.3730 0.0875 -0.1102 0.0998 234 ALA H C 11860 O O . ALA H 235 ? 0.5515 0.4104 0.3697 0.0856 -0.1074 0.0911 234 ALA H O 11861 C CB . ALA H 235 ? 0.5741 0.4717 0.3527 0.0760 -0.1130 0.0724 234 ALA H CB 11862 N N . GLU H 236 ? 0.5869 0.4776 0.3926 0.0956 -0.1158 0.1165 235 GLU H N 11863 C CA . GLU H 236 ? 0.5896 0.4772 0.4160 0.1049 -0.1171 0.1245 235 GLU H CA 11864 C C . GLU H 236 ? 0.5903 0.5141 0.4208 0.1064 -0.1296 0.1247 235 GLU H C 11865 O O . GLU H 236 ? 0.6025 0.5542 0.4173 0.1004 -0.1380 0.1214 235 GLU H O 11866 C CB . GLU H 236 ? 0.6127 0.4856 0.4464 0.1169 -0.1108 0.1484 235 GLU H CB 11867 C CG . GLU H 236 ? 0.6525 0.5549 0.4772 0.1250 -0.1177 0.1735 235 GLU H CG 11868 C CD . GLU H 236 ? 0.7103 0.5909 0.5428 0.1352 -0.1090 0.2023 235 GLU H CD 11869 O OE1 . GLU H 236 ? 0.7204 0.5601 0.5632 0.1323 -0.0971 0.1979 235 GLU H OE1 11870 O OE2 . GLU H 236 ? 0.7401 0.6466 0.5698 0.1453 -0.1144 0.2304 235 GLU H OE2 11871 N N . ALA H 237 ? 0.5836 0.5115 0.4357 0.1132 -0.1304 0.1265 236 ALA H N 11872 C CA . ALA H 237 ? 0.5842 0.5529 0.4471 0.1160 -0.1419 0.1313 236 ALA H CA 11873 C C . ALA H 237 ? 0.5799 0.5497 0.4701 0.1297 -0.1374 0.1383 236 ALA H C 11874 O O . ALA H 237 ? 0.5668 0.5151 0.4659 0.1278 -0.1285 0.1264 236 ALA H O 11875 C CB . ALA H 237 ? 0.5744 0.5598 0.4345 0.0977 -0.1499 0.1099 236 ALA H CB 11876 N N . TRP H 238 ? 0.5940 0.5939 0.4977 0.1448 -0.1431 0.1581 237 TRP H N 11877 C CA . TRP H 238 ? 0.5951 0.6034 0.5285 0.1613 -0.1380 0.1642 237 TRP H CA 11878 C C . TRP H 238 ? 0.5796 0.6317 0.5277 0.1526 -0.1465 0.1552 237 TRP H C 11879 O O . TRP H 238 ? 0.5781 0.6636 0.5179 0.1381 -0.1600 0.1518 237 TRP H O 11880 C CB . TRP H 238 ? 0.6206 0.6418 0.5684 0.1855 -0.1390 0.1938 237 TRP H CB 11881 C CG . TRP H 238 ? 0.6441 0.6149 0.5900 0.1963 -0.1263 0.2051 237 TRP H CG 11882 C CD1 . TRP H 238 ? 0.6619 0.6189 0.5872 0.1924 -0.1271 0.2197 237 TRP H CD1 11883 C CD2 . TRP H 238 ? 0.6591 0.5877 0.6263 0.2107 -0.1099 0.2017 237 TRP H CD2 11884 N NE1 . TRP H 238 ? 0.6863 0.5928 0.6215 0.2019 -0.1125 0.2282 237 TRP H NE1 11885 C CE2 . TRP H 238 ? 0.6846 0.5706 0.6456 0.2130 -0.1019 0.2150 237 TRP H CE2 11886 C CE3 . TRP H 238 ? 0.6552 0.5802 0.6465 0.2210 -0.1001 0.1867 237 TRP H CE3 11887 C CZ2 . TRP H 238 ? 0.7047 0.5391 0.6846 0.2232 -0.0852 0.2114 237 TRP H CZ2 11888 C CZ3 . TRP H 238 ? 0.6782 0.5551 0.6850 0.2332 -0.0830 0.1805 237 TRP H CZ3 11889 C CH2 . TRP H 238 ? 0.7034 0.5327 0.7053 0.2333 -0.0761 0.1916 237 TRP H CH2 11890 N N . GLY H 239 ? 0.5714 0.6255 0.5420 0.1597 -0.1376 0.1498 238 GLY H N 11891 C CA . GLY H 239 ? 0.5618 0.6618 0.5520 0.1518 -0.1433 0.1454 238 GLY H CA 11892 C C . GLY H 239 ? 0.5755 0.7319 0.5863 0.1645 -0.1545 0.1644 238 GLY H C 11893 O O . GLY H 239 ? 0.5955 0.7525 0.6102 0.1861 -0.1549 0.1845 238 GLY H O 11894 N N . ARG H 240 ? 0.5681 0.7747 0.5948 0.1507 -0.1639 0.1606 239 ARG H N 11895 C CA . ARG H 240 ? 0.5802 0.8535 0.6276 0.1589 -0.1777 0.1780 239 ARG H CA 11896 C C . ARG H 240 ? 0.5690 0.8974 0.6464 0.1469 -0.1815 0.1736 239 ARG H C 11897 O O . ARG H 240 ? 0.5566 0.8766 0.6315 0.1208 -0.1803 0.1562 239 ARG H O 11898 C CB . ARG H 240 ? 0.5928 0.8864 0.6160 0.1454 -0.1957 0.1804 239 ARG H CB 11899 C CG . ARG H 240 ? 0.5936 0.8767 0.5966 0.1101 -0.2025 0.1536 239 ARG H CG 11900 C CD . ARG H 240 ? 0.6236 0.8979 0.5915 0.1023 -0.2111 0.1496 239 ARG H CD 11901 N NE . ARG H 240 ? 0.6250 0.8329 0.5696 0.1086 -0.1974 0.1465 239 ARG H NE 11902 C CZ . ARG H 240 ? 0.6504 0.8464 0.5686 0.1147 -0.1984 0.1550 239 ARG H CZ 11903 N NH1 . ARG H 240 ? 0.6721 0.9195 0.5807 0.1168 -0.2126 0.1684 239 ARG H NH1 11904 N NH2 . ARG H 240 ? 0.6509 0.7899 0.5529 0.1179 -0.1851 0.1516 239 ARG H NH2 11905 N N . ALA H 241 ? 0.5772 0.9643 0.6860 0.1665 -0.1857 0.1923 240 ALA H N 11906 C CA . ALA H 241 ? 0.5691 1.0210 0.7117 0.1563 -0.1895 0.1918 240 ALA H CA 11907 C C . ALA H 241 ? 0.5734 1.0774 0.7141 0.1257 -0.2122 0.1869 240 ALA H C 11908 O O . ALA H 241 ? 0.5721 1.0477 0.6905 0.0944 -0.2169 0.1662 240 ALA H O 11909 C CB . ALA H 241 ? 0.5773 1.0761 0.7584 0.1919 -0.1839 0.2135 240 ALA H CB 11910 C C1 . NAG I . ? 0.7257 1.1948 0.6546 0.0596 -0.1993 0.1188 508 NAG A C1 11911 C C2 . NAG I . ? 0.7902 1.3066 0.6941 0.0744 -0.2351 0.1323 508 NAG A C2 11912 C C3 . NAG I . ? 0.7997 1.3445 0.7438 0.1042 -0.2481 0.1635 508 NAG A C3 11913 C C4 . NAG I . ? 0.7487 1.3069 0.7740 0.1018 -0.2385 0.1550 508 NAG A C4 11914 C C5 . NAG I . ? 0.7049 1.2040 0.7343 0.0878 -0.1992 0.1448 508 NAG A C5 11915 C C6 . NAG I . ? 0.6658 1.1691 0.7662 0.0859 -0.1844 0.1379 508 NAG A C6 11916 C C7 . NAG I . ? 0.8760 1.3597 0.6524 0.0607 -0.2360 0.1239 508 NAG A C7 11917 C C8 . NAG I . ? 0.9288 1.3790 0.6279 0.0703 -0.2280 0.1436 508 NAG A C8 11918 N N2 . NAG I . ? 0.8451 1.3330 0.6723 0.0801 -0.2323 0.1462 508 NAG A N2 11919 O O3 . NAG I . ? 0.8504 1.4531 0.7835 0.1137 -0.2881 0.1681 508 NAG A O3 11920 O O4 . NAG I . ? 0.7589 1.3346 0.8211 0.1313 -0.2440 0.1860 508 NAG A O4 11921 O O5 . NAG I . ? 0.6930 1.1791 0.6918 0.0605 -0.1953 0.1147 508 NAG A O5 11922 O O6 . NAG I . ? 0.6535 1.1943 0.7893 0.0647 -0.1964 0.1071 508 NAG A O6 11923 O O7 . NAG I . ? 0.8632 1.3659 0.6536 0.0359 -0.2424 0.0889 508 NAG A O7 11924 C C1 . NAG J . ? 0.5664 0.6354 0.5772 0.0883 0.0575 0.1773 509 NAG A C1 11925 C C2 . NAG J . ? 0.6008 0.6987 0.6065 0.1070 0.0400 0.2014 509 NAG A C2 11926 C C3 . NAG J . ? 0.6340 0.7265 0.5933 0.1062 0.0346 0.2091 509 NAG A C3 11927 C C4 . NAG J . ? 0.6537 0.6987 0.5951 0.1023 0.0617 0.2112 509 NAG A C4 11928 C C5 . NAG J . ? 0.6137 0.6397 0.5709 0.0829 0.0745 0.1841 509 NAG A C5 11929 C C6 . NAG J . ? 0.6246 0.6084 0.5736 0.0770 0.1003 0.1819 509 NAG A C6 11930 C C7 . NAG J . ? 0.5934 0.7687 0.6469 0.1232 0.0035 0.2099 509 NAG A C7 11931 C C8 . NAG J . ? 0.5740 0.7975 0.6519 0.1158 -0.0198 0.1952 509 NAG A C8 11932 N N2 . NAG J . ? 0.5813 0.7248 0.6071 0.1054 0.0162 0.1937 509 NAG A N2 11933 O O3 . NAG J . ? 0.6702 0.7840 0.6198 0.1269 0.0201 0.2353 509 NAG A O3 11934 O O4 . NAG J . ? 0.6895 0.7297 0.5886 0.0981 0.0591 0.2138 509 NAG A O4 11935 O O5 . NAG J . ? 0.5866 0.6164 0.5800 0.0862 0.0783 0.1802 509 NAG A O5 11936 O O6 . NAG J . ? 0.6500 0.6103 0.6203 0.0894 0.1200 0.1958 509 NAG A O6 11937 O O7 . NAG J . ? 0.6196 0.7875 0.6830 0.1448 0.0104 0.2355 509 NAG A O7 11938 C C1 . NAG K . ? 0.7454 0.7668 0.6230 0.1166 0.0696 0.2437 510 NAG A C1 11939 C C2 . NAG K . ? 0.7714 0.7650 0.6106 0.1065 0.0849 0.2410 510 NAG A C2 11940 C C3 . NAG K . ? 0.8309 0.8017 0.6390 0.1257 0.0978 0.2741 510 NAG A C3 11941 C C4 . NAG K . ? 0.8616 0.8663 0.6528 0.1473 0.0714 0.2987 510 NAG A C4 11942 C C5 . NAG K . ? 0.8332 0.8714 0.6720 0.1554 0.0535 0.2971 510 NAG A C5 11943 C C6 . NAG K . ? 0.8632 0.9463 0.6905 0.1742 0.0210 0.3161 510 NAG A C6 11944 C C7 . NAG K . ? 0.7274 0.6962 0.5847 0.0694 0.1035 0.1933 510 NAG A C7 11945 C C8 . NAG K . ? 0.7059 0.6464 0.5840 0.0551 0.1248 0.1751 510 NAG A C8 11946 N N2 . NAG K . ? 0.7513 0.7142 0.6084 0.0899 0.1079 0.2211 510 NAG A N2 11947 O O3 . NAG K . ? 0.8497 0.8005 0.6193 0.1148 0.1102 0.2695 510 NAG A O3 11948 O O4 . NAG K . ? 0.9223 0.8998 0.6903 0.1692 0.0871 0.3339 510 NAG A O4 11949 O O5 . NAG K . ? 0.7785 0.8337 0.6424 0.1335 0.0455 0.2633 510 NAG A O5 11950 O O6 . NAG K . ? 0.8211 0.9503 0.6776 0.1644 -0.0049 0.2941 510 NAG A O6 11951 O O7 . NAG K . ? 0.7196 0.7158 0.5626 0.0621 0.0832 0.1819 510 NAG A O7 11952 C C1 . NAG L . ? 0.6806 0.6968 0.5074 0.0475 -0.1580 -0.0265 511 NAG A C1 11953 C C2 . NAG L . ? 0.6738 0.7281 0.5536 0.0539 -0.1798 -0.0330 511 NAG A C2 11954 C C3 . NAG L . ? 0.6716 0.7219 0.5728 0.0708 -0.1760 -0.0128 511 NAG A C3 11955 C C4 . NAG L . ? 0.7216 0.7403 0.5694 0.0881 -0.1749 0.0118 511 NAG A C4 11956 C C5 . NAG L . ? 0.7320 0.7159 0.5281 0.0775 -0.1536 0.0136 511 NAG A C5 11957 C C6 . NAG L . ? 0.7896 0.7391 0.5284 0.0928 -0.1495 0.0370 511 NAG A C6 11958 C C7 . NAG L . ? 0.6364 0.7393 0.5882 0.0271 -0.1883 -0.0755 511 NAG A C7 11959 C C8 . NAG L . ? 0.5944 0.7103 0.5985 0.0097 -0.1721 -0.0928 511 NAG A C8 11960 N N2 . NAG L . ? 0.6317 0.7065 0.5621 0.0367 -0.1717 -0.0534 511 NAG A N2 11961 O O3 . NAG L . ? 0.6683 0.7551 0.6160 0.0802 -0.1990 -0.0174 511 NAG A O3 11962 O O4 . NAG L . ? 0.7165 0.7231 0.5882 0.0986 -0.1604 0.0281 511 NAG A O4 11963 O O5 . NAG L . ? 0.7315 0.7246 0.5099 0.0640 -0.1618 -0.0057 511 NAG A O5 11964 O O6 . NAG L . ? 0.8151 0.7384 0.5079 0.0818 -0.1329 0.0340 511 NAG A O6 11965 O O7 . NAG L . ? 0.6767 0.7941 0.6067 0.0312 -0.2149 -0.0826 511 NAG A O7 11966 C C1 . NAG M . ? 0.7555 0.7751 0.6397 0.1217 -0.1816 0.0423 512 NAG A C1 11967 C C2 . NAG M . ? 0.7704 0.7566 0.6509 0.1346 -0.1596 0.0653 512 NAG A C2 11968 C C3 . NAG M . ? 0.7960 0.7940 0.7059 0.1597 -0.1747 0.0813 512 NAG A C3 11969 C C4 . NAG M . ? 0.7623 0.8064 0.7415 0.1574 -0.1895 0.0639 512 NAG A C4 11970 C C5 . NAG M . ? 0.7567 0.8343 0.7328 0.1446 -0.2142 0.0419 512 NAG A C5 11971 C C6 . NAG M . ? 0.7229 0.8464 0.7726 0.1394 -0.2255 0.0223 512 NAG A C6 11972 C C7 . NAG M . ? 0.8072 0.7204 0.6122 0.1293 -0.1163 0.0862 512 NAG A C7 11973 C C8 . NAG M . ? 0.8542 0.7286 0.5947 0.1332 -0.1047 0.1016 512 NAG A C8 11974 N N2 . NAG M . ? 0.8142 0.7609 0.6300 0.1379 -0.1483 0.0808 512 NAG A N2 11975 O O3 . NAG M . ? 0.7990 0.7646 0.7167 0.1664 -0.1472 0.0971 512 NAG A O3 11976 O O4 . NAG M . ? 0.7928 0.8508 0.8013 0.1830 -0.2057 0.0796 512 NAG A O4 11977 O O5 . NAG M . ? 0.7338 0.7939 0.6816 0.1213 -0.1956 0.0286 512 NAG A O5 11978 O O6 . NAG M . ? 0.6693 0.7887 0.7467 0.1168 -0.1978 0.0059 512 NAG A O6 11979 O O7 . NAG M . ? 0.7662 0.6797 0.6102 0.1181 -0.0965 0.0783 512 NAG A O7 11980 C C1 . FUC N . ? 0.8049 0.6981 0.4964 0.0775 -0.1007 0.0448 513 FUC A C1 11981 C C2 . FUC N . ? 0.8423 0.7018 0.4749 0.0748 -0.0847 0.0505 513 FUC A C2 11982 C C3 . FUC N . ? 0.8272 0.6936 0.4567 0.0565 -0.0797 0.0292 513 FUC A C3 11983 C C4 . FUC N . ? 0.7675 0.6479 0.4515 0.0420 -0.0647 0.0183 513 FUC A C4 11984 C C5 . FUC N . ? 0.7357 0.6463 0.4704 0.0452 -0.0807 0.0142 513 FUC A C5 11985 C C6 . FUC N . ? 0.6744 0.5970 0.4564 0.0318 -0.0657 0.0048 513 FUC A C6 11986 O O2 . FUC N . ? 0.9121 0.7597 0.4918 0.0909 -0.1010 0.0633 513 FUC A O2 11987 O O3 . FUC N . ? 0.8609 0.6958 0.4402 0.0537 -0.0615 0.0334 513 FUC A O3 11988 O O4 . FUC N . ? 0.7514 0.6107 0.4401 0.0397 -0.0386 0.0290 513 FUC A O4 11989 O O5 . FUC N . ? 0.7561 0.6595 0.4921 0.0613 -0.0842 0.0321 513 FUC A O5 11990 C CCL . 07P O . ? 0.5131 0.6249 0.4452 -0.1186 0.0224 -0.0963 286 07P A CCL 11991 C CCK . 07P O . ? 0.4968 0.5806 0.4251 -0.1069 0.0325 -0.0825 286 07P A CCK 11992 C CCJ . 07P O . ? 0.4825 0.5705 0.4128 -0.0932 0.0257 -0.0619 286 07P A CCJ 11993 C CCI . 07P O . ? 0.4695 0.5473 0.4216 -0.0893 0.0300 -0.0560 286 07P A CCI 11994 C CCH . 07P O . ? 0.4659 0.5145 0.4198 -0.0857 0.0413 -0.0550 286 07P A CCH 11995 C CCG . 07P O . ? 0.4718 0.5086 0.4412 -0.0865 0.0480 -0.0547 286 07P A CCG 11996 C CCF . 07P O . ? 0.4718 0.5010 0.4413 -0.0756 0.0469 -0.0400 286 07P A CCF 11997 C CCE . 07P O . ? 0.4838 0.4868 0.4484 -0.0689 0.0529 -0.0358 286 07P A CCE 11998 C CCD . 07P O . ? 0.4857 0.4872 0.4423 -0.0622 0.0481 -0.0314 286 07P A CCD 11999 C CCC . 07P O . ? 0.4933 0.4785 0.4464 -0.0530 0.0474 -0.0237 286 07P A CCC 12000 C CCB . 07P O . ? 0.4969 0.4857 0.4453 -0.0484 0.0436 -0.0162 286 07P A CCB 12001 C CCA . 07P O . ? 0.4959 0.5027 0.4479 -0.0508 0.0419 -0.0140 286 07P A CCA 12002 C CBZ . 07P O . ? 0.5007 0.5007 0.4491 -0.0478 0.0402 -0.0149 286 07P A CBZ 12003 C CBY . 07P O . ? 0.4978 0.4918 0.4438 -0.0424 0.0388 -0.0102 286 07P A CBY 12004 C CAH . 07P O . ? 0.4900 0.4863 0.4399 -0.0427 0.0388 -0.0128 286 07P A CAH 12005 C CAI . 07P O . ? 0.4817 0.4706 0.4346 -0.0395 0.0368 -0.0141 286 07P A CAI 12006 C CAJ . 07P O . ? 0.4612 0.4536 0.4233 -0.0415 0.0407 -0.0166 286 07P A CAJ 12007 C CAF . 07P O . ? 0.4499 0.4471 0.4059 -0.0424 0.0468 -0.0098 286 07P A CAF 12008 C CAE . 07P O . ? 0.4483 0.4409 0.4109 -0.0427 0.0545 -0.0086 286 07P A CAE 12009 C CAD . 07P O . ? 0.4319 0.4238 0.4105 -0.0455 0.0546 -0.0188 286 07P A CAD 12010 C CAC . 07P O . ? 0.4336 0.4226 0.4206 -0.0486 0.0672 -0.0190 286 07P A CAC 12011 O OAG . 07P O . ? 0.4463 0.4353 0.4155 -0.0478 0.0739 -0.0097 286 07P A OAG 12012 C CAB . 07P O . ? 0.4290 0.4099 0.4252 -0.0494 0.0725 -0.0194 286 07P A CAB 12013 C CAA . 07P O . ? 0.4269 0.4026 0.4373 -0.0539 0.0882 -0.0215 286 07P A CAA 12014 O O1 . 07P O . ? 0.4019 0.3869 0.4341 -0.0576 0.0845 -0.0341 286 07P A O1 12015 C C1 . 07P O . ? 0.4108 0.3923 0.4598 -0.0628 0.1015 -0.0374 286 07P A C1 12016 O O5 . 07P O . ? 0.4172 0.3912 0.4836 -0.0674 0.1098 -0.0421 286 07P A O5 12017 C C5 . 07P O . ? 0.4055 0.3895 0.4913 -0.0699 0.0947 -0.0561 286 07P A C5 12018 C C6 . 07P O . ? 0.4156 0.3895 0.5187 -0.0771 0.1068 -0.0633 286 07P A C6 12019 O O6 . 07P O . ? 0.4190 0.3965 0.5199 -0.0777 0.0910 -0.0725 286 07P A O6 12020 C C4 . 07P O . ? 0.3921 0.3949 0.5061 -0.0712 0.0854 -0.0686 286 07P A C4 12021 O O4 . 07P O . ? 0.3988 0.4031 0.5451 -0.0789 0.1029 -0.0768 286 07P A O4 12022 C C3 . 07P O . ? 0.3833 0.3905 0.4822 -0.0648 0.0803 -0.0616 286 07P A C3 12023 O O3 . 07P O . ? 0.3736 0.3955 0.5043 -0.0650 0.0774 -0.0718 286 07P A O3 12024 C C2 . 07P O . ? 0.4008 0.3955 0.4762 -0.0648 0.0976 -0.0498 286 07P A C2 12025 O O2 . 07P O . ? 0.3995 0.3977 0.4582 -0.0608 0.0920 -0.0464 286 07P A O2 12026 N NAW . 07P O . ? 0.4292 0.4129 0.4371 -0.0505 0.0616 -0.0303 286 07P A NAW 12027 C CAX . 07P O . ? 0.4430 0.4200 0.4514 -0.0513 0.0608 -0.0336 286 07P A CAX 12028 O OAY . 07P O . ? 0.4556 0.4222 0.4589 -0.0507 0.0709 -0.0274 286 07P A OAY 12029 C CAZ . 07P O . ? 0.4483 0.4313 0.4631 -0.0524 0.0463 -0.0461 286 07P A CAZ 12030 C CBA . 07P O . ? 0.4605 0.4344 0.4564 -0.0506 0.0419 -0.0463 286 07P A CBA 12031 C CBB . 07P O . ? 0.4588 0.4314 0.4333 -0.0443 0.0364 -0.0365 286 07P A CBB 12032 C CBC . 07P O . ? 0.4710 0.4314 0.4293 -0.0428 0.0418 -0.0329 286 07P A CBC 12033 C CBD . 07P O . ? 0.4793 0.4372 0.4186 -0.0381 0.0364 -0.0273 286 07P A CBD 12034 C CBE . 07P O . ? 0.5022 0.4464 0.4250 -0.0377 0.0411 -0.0293 286 07P A CBE 12035 C CBF . 07P O . ? 0.5066 0.4446 0.4095 -0.0337 0.0396 -0.0236 286 07P A CBF 12036 C CBG . 07P O . ? 0.4920 0.4325 0.4016 -0.0320 0.0498 -0.0134 286 07P A CBG 12037 C CBH . 07P O . ? 0.4900 0.4263 0.4083 -0.0316 0.0620 -0.0114 286 07P A CBH 12038 C CBI . 07P O . ? 0.4980 0.4199 0.4034 -0.0303 0.0722 -0.0119 286 07P A CBI 12039 C CBJ . 07P O . ? 0.4854 0.4128 0.4090 -0.0264 0.0839 -0.0025 286 07P A CBJ 12040 C CBK . 07P O . ? 0.4799 0.4063 0.4198 -0.0242 0.0915 0.0000 286 07P A CBK 12041 C CBL . 07P O . ? 0.4976 0.4056 0.4361 -0.0230 0.1080 -0.0036 286 07P A CBL 12042 C CBM . 07P O . ? 0.5034 0.3989 0.4468 -0.0253 0.1150 -0.0099 286 07P A CBM 12043 C CBN . 07P O . ? 0.5306 0.4034 0.4671 -0.0267 0.1322 -0.0189 286 07P A CBN 12044 C CBO . 07P O . ? 0.5560 0.4151 0.4744 -0.0364 0.1292 -0.0382 286 07P A CBO 12045 C CBP . 07P O . ? 0.5916 0.4282 0.4889 -0.0397 0.1428 -0.0507 286 07P A CBP 12046 C CBQ . 07P O . ? 0.6183 0.4415 0.5031 -0.0505 0.1425 -0.0726 286 07P A CBQ 12047 C CBR . 07P O . ? 0.6465 0.4628 0.4893 -0.0556 0.1323 -0.0864 286 07P A CBR 12048 C CBS . 07P O . ? 0.6463 0.4765 0.4806 -0.0624 0.1079 -0.0990 286 07P A CBS 12049 C CBT . 07P O . ? 0.6175 0.4681 0.4489 -0.0559 0.0874 -0.0854 286 07P A CBT 12050 C CBU . 07P O . ? 0.6392 0.4972 0.4438 -0.0588 0.0639 -0.0970 286 07P A CBU 12051 C CBV . 07P O . ? 0.6196 0.4972 0.4307 -0.0518 0.0455 -0.0836 286 07P A CBV 12052 C CBW . 07P O . ? 0.6184 0.4884 0.4110 -0.0434 0.0508 -0.0666 286 07P A CBW 12053 C CBX . 07P O . ? 0.5749 0.4614 0.3951 -0.0386 0.0472 -0.0516 286 07P A CBX 12055 C C1 . NAG Q . ? 0.6695 1.0404 0.7814 0.0907 0.0907 -0.1282 514 NAG E C1 12056 C C2 . NAG Q . ? 0.7333 1.1429 0.8230 0.1211 0.1047 -0.1757 514 NAG E C2 12057 C C3 . NAG Q . ? 0.7416 1.1625 0.9023 0.1469 0.1099 -0.2087 514 NAG E C3 12058 C C4 . NAG Q . ? 0.7107 1.1591 0.9217 0.1378 0.1254 -0.1714 514 NAG E C4 12059 C C5 . NAG Q . ? 0.6555 1.0657 0.8771 0.1052 0.1087 -0.1220 514 NAG E C5 12060 C C6 . NAG Q . ? 0.6277 1.0703 0.8940 0.0943 0.1207 -0.0854 514 NAG E C6 12061 C C7 . NAG Q . ? 0.8171 1.2327 0.8002 0.1416 0.0932 -0.2299 514 NAG E C7 12062 C C8 . NAG Q . ? 0.8432 1.2260 0.7947 0.1489 0.0661 -0.2656 514 NAG E C8 12063 N N2 . NAG Q . ? 0.7656 1.1471 0.8154 0.1293 0.0850 -0.2094 514 NAG E N2 12064 O O3 . NAG Q . ? 0.7980 1.2632 0.9361 0.1772 0.1261 -0.2556 514 NAG E O3 12065 O O4 . NAG Q . ? 0.7221 1.1733 1.0067 0.1626 0.1255 -0.1993 514 NAG E O4 12066 O O5 . NAG Q . ? 0.6509 1.0511 0.8052 0.0833 0.1056 -0.0992 514 NAG E O5 12067 O O6 . NAG Q . ? 0.5867 0.9933 0.8643 0.0689 0.1013 -0.0493 514 NAG E O6 12068 O O7 . NAG Q . ? 0.8400 1.3148 0.7892 0.1468 0.1208 -0.2192 514 NAG E O7 12069 C C1 . NAG R . ? 0.4994 0.5315 1.2070 0.0871 -0.0768 -0.0576 515 NAG E C1 12070 C C2 . NAG R . ? 0.5347 0.5776 1.2279 0.1096 -0.0692 -0.1161 515 NAG E C2 12071 C C3 . NAG R . ? 0.5665 0.5920 1.2188 0.1102 -0.0786 -0.1634 515 NAG E C3 12072 C C4 . NAG R . ? 0.5889 0.5695 1.3089 0.1059 -0.1029 -0.1693 515 NAG E C4 12073 C C5 . NAG R . ? 0.5514 0.5248 1.2924 0.0830 -0.1064 -0.1043 515 NAG E C5 12074 C C6 . NAG R . ? 0.5712 0.5052 1.3958 0.0770 -0.1278 -0.0990 515 NAG E C6 12075 C C7 . NAG R . ? 0.5162 0.6301 1.1873 0.1240 -0.0368 -0.1023 515 NAG E C7 12076 C C8 . NAG R . ? 0.5038 0.6658 1.1147 0.1198 -0.0155 -0.0930 515 NAG E C8 12077 N N2 . NAG R . ? 0.5175 0.6047 1.1531 0.1102 -0.0480 -0.1089 515 NAG E N2 12078 O O3 . NAG R . ? 0.6061 0.6476 1.2436 0.1339 -0.0715 -0.2190 515 NAG E O3 12079 O O4 . NAG R . ? 0.6216 0.5906 1.3013 0.1048 -0.1145 -0.2115 515 NAG E O4 12080 O O5 . NAG R . ? 0.5225 0.5155 1.2916 0.0846 -0.0959 -0.0615 515 NAG E O5 12081 O O6 . NAG R . ? 0.5995 0.5177 1.5209 0.0895 -0.1333 -0.0894 515 NAG E O6 12082 O O7 . NAG R . ? 0.5274 0.6291 1.2811 0.1393 -0.0436 -0.1017 515 NAG E O7 12083 C C1 . NAG S . ? 0.6786 0.6234 1.4152 0.1248 -0.1312 -0.2705 516 NAG E C1 12084 C C2 . NAG S . ? 0.7004 0.6289 1.4091 0.1186 -0.1514 -0.3065 516 NAG E C2 12085 C C3 . NAG S . ? 0.7648 0.6755 1.5128 0.1415 -0.1706 -0.3824 516 NAG E C3 12086 C C4 . NAG S . ? 0.7982 0.7345 1.5377 0.1716 -0.1549 -0.4245 516 NAG E C4 12087 C C5 . NAG S . ? 0.7683 0.7145 1.5501 0.1739 -0.1353 -0.3773 516 NAG E C5 12088 C C6 . NAG S . ? 0.8027 0.7829 1.5750 0.2044 -0.1165 -0.4169 516 NAG E C6 12089 C C7 . NAG S . ? 0.6486 0.5609 1.3553 0.0742 -0.1604 -0.2221 516 NAG E C7 12090 C C8 . NAG S . ? 0.6322 0.5213 1.4011 0.0545 -0.1750 -0.1865 516 NAG E C8 12091 N N2 . NAG S . ? 0.6803 0.5813 1.4360 0.0958 -0.1666 -0.2677 516 NAG E N2 12092 O O3 . NAG S . ? 0.7869 0.7014 1.4755 0.1389 -0.1849 -0.4192 516 NAG E O3 12093 O O4 . NAG S . ? 0.8534 0.7649 1.6549 0.1936 -0.1764 -0.4933 516 NAG E O4 12094 O O5 . NAG S . ? 0.7108 0.6800 1.4336 0.1510 -0.1183 -0.3136 516 NAG E O5 12095 O O6 . NAG S . ? 0.7730 0.7775 1.5562 0.2025 -0.0950 -0.3663 516 NAG E O6 12096 O O7 . NAG S . ? 0.6359 0.5771 1.2557 0.0702 -0.1435 -0.2081 516 NAG E O7 12097 C C1 . NAG T . ? 0.5665 1.5033 0.7294 0.0671 0.1436 0.4427 517 NAG E C1 12098 C C2 . NAG T . ? 0.5671 1.5254 0.7784 0.0715 0.1612 0.4417 517 NAG E C2 12099 C C3 . NAG T . ? 0.5698 1.4964 0.7413 0.0878 0.1525 0.3673 517 NAG E C3 12100 C C4 . NAG T . ? 0.6152 1.5695 0.6948 0.1098 0.1494 0.3225 517 NAG E C4 12101 C C5 . NAG T . ? 0.6168 1.5524 0.6592 0.0999 0.1322 0.3334 517 NAG E C5 12102 C C6 . NAG T . ? 0.6624 1.6330 0.6178 0.1199 0.1261 0.2916 517 NAG E C6 12103 C C7 . NAG T . ? 0.5320 1.4861 0.9072 0.0376 0.1726 0.5348 517 NAG E C7 12104 C C8 . NAG T . ? 0.4989 1.3891 0.9668 0.0139 0.1582 0.5484 517 NAG E C8 12105 N N2 . NAG T . ? 0.5309 1.4400 0.8322 0.0486 0.1547 0.4697 517 NAG E N2 12106 O O3 . NAG T . ? 0.5695 1.5402 0.7813 0.0974 0.1731 0.3715 517 NAG E O3 12107 O O4 . NAG T . ? 0.6254 1.5200 0.6806 0.1188 0.1320 0.2534 517 NAG E O4 12108 O O5 . NAG T . ? 0.6093 1.5913 0.6869 0.0891 0.1455 0.4071 517 NAG E O5 12109 O O6 . NAG T . ? 0.6732 1.6464 0.6067 0.1101 0.1136 0.3176 517 NAG E O6 12110 O O7 . NAG T . ? 0.5619 1.6066 0.9340 0.0457 0.1989 0.5830 517 NAG E O7 12111 C C1 . NAG U . ? 0.6670 1.6126 0.7119 0.1445 0.1496 0.2239 518 NAG E C1 12112 C C2 . NAG U . ? 0.6865 1.5769 0.6847 0.1586 0.1278 0.1474 518 NAG E C2 12113 C C3 . NAG U . ? 0.7133 1.6361 0.7140 0.1865 0.1410 0.1078 518 NAG E C3 12114 C C4 . NAG U . ? 0.6905 1.6379 0.7666 0.1836 0.1599 0.1418 518 NAG E C4 12115 C C5 . NAG U . ? 0.6796 1.6847 0.7959 0.1664 0.1811 0.2191 518 NAG E C5 12116 C C6 . NAG U . ? 0.6530 1.6711 0.8576 0.1573 0.1940 0.2534 518 NAG E C6 12117 C C7 . NAG U . ? 0.7284 1.5558 0.6286 0.1578 0.0873 0.0825 518 NAG E C7 12118 C C8 . NAG U . ? 0.7662 1.6201 0.6002 0.1650 0.0760 0.0599 518 NAG E C8 12119 N N2 . NAG U . ? 0.7254 1.6290 0.6530 0.1658 0.1170 0.1235 518 NAG E N2 12120 O O3 . NAG U . ? 0.7160 1.5586 0.7016 0.1915 0.1147 0.0467 518 NAG E O3 12121 O O4 . NAG U . ? 0.7276 1.7362 0.7994 0.2146 0.1796 0.1124 518 NAG E O4 12122 O O5 . NAG U . ? 0.6513 1.5996 0.7681 0.1401 0.1614 0.2437 518 NAG E O5 12123 O O6 . NAG U . ? 0.6610 1.7609 0.9002 0.1499 0.2218 0.3229 518 NAG E O6 12124 O O7 . NAG U . ? 0.6995 1.4426 0.6271 0.1449 0.0689 0.0645 518 NAG E O7 12125 C C1 . FUC V . ? 0.6770 1.5991 0.5601 0.1105 0.0856 0.2608 519 FUC E C1 12126 C C2 . FUC V . ? 0.7094 1.6841 0.5440 0.1142 0.0783 0.2788 519 FUC E C2 12127 C C3 . FUC V . ? 0.6821 1.6330 0.5592 0.0925 0.0708 0.3364 519 FUC E C3 12128 C C4 . FUC V . ? 0.6340 1.4784 0.5555 0.0713 0.0520 0.3179 519 FUC E C4 12129 C C5 . FUC V . ? 0.6096 1.4114 0.5685 0.0700 0.0599 0.2962 519 FUC E C5 12130 C C6 . FUC V . ? 0.5641 1.2667 0.5551 0.0516 0.0401 0.2738 519 FUC E C6 12131 O O2 . FUC V . ? 0.7512 1.8332 0.5531 0.1348 0.1020 0.3033 519 FUC E O2 12132 O O3 . FUC V . ? 0.7118 1.6996 0.5428 0.0960 0.0570 0.3430 519 FUC E O3 12133 O O4 . FUC V . ? 0.6377 1.4383 0.5193 0.0690 0.0265 0.2672 519 FUC E O4 12134 O O5 . FUC V . ? 0.6344 1.4573 0.5499 0.0899 0.0639 0.2452 519 FUC E O5 12135 C CCL . 07P W . ? 0.5318 0.5424 0.4741 -0.0876 -0.0749 0.0827 286 07P E CCL 12136 C CCK . 07P W . ? 0.5186 0.5321 0.4742 -0.0739 -0.0772 0.0665 286 07P E CCK 12137 C CCJ . 07P W . ? 0.5052 0.5065 0.4740 -0.0709 -0.0871 0.0633 286 07P E CCJ 12138 C CCI . 07P W . ? 0.4807 0.4998 0.4836 -0.0694 -0.0826 0.0653 286 07P E CCI 12139 C CCH . 07P W . ? 0.4753 0.5017 0.4783 -0.0776 -0.0829 0.0747 286 07P E CCH 12140 C CCG . 07P W . ? 0.4576 0.4999 0.4837 -0.0727 -0.0832 0.0789 286 07P E CCG 12141 C CCF . 07P W . ? 0.4592 0.5157 0.4792 -0.0786 -0.0851 0.0839 286 07P E CCF 12142 C CCE . 07P W . ? 0.4503 0.5315 0.4855 -0.0721 -0.0840 0.0915 286 07P E CCE 12143 C CCD . 07P W . ? 0.4532 0.5264 0.4922 -0.0636 -0.0851 0.0873 286 07P E CCD 12144 C CCC . 07P W . ? 0.4507 0.5565 0.5080 -0.0573 -0.0802 0.1009 286 07P E CCC 12145 C CCB . 07P W . ? 0.4421 0.5639 0.5392 -0.0563 -0.0743 0.1205 286 07P E CCB 12146 C CCA . 07P W . ? 0.4387 0.5361 0.5572 -0.0566 -0.0755 0.1133 286 07P E CCA 12147 C CBZ . 07P W . ? 0.4379 0.5528 0.5682 -0.0520 -0.0735 0.1234 286 07P E CBZ 12148 C CBY . 07P W . ? 0.4271 0.5670 0.6045 -0.0502 -0.0677 0.1503 286 07P E CBY 12149 C CAH . 07P W . ? 0.4222 0.5426 0.6426 -0.0496 -0.0714 0.1462 286 07P E CAH 12150 C CAI . 07P W . ? 0.4183 0.5644 0.6879 -0.0489 -0.0660 0.1747 286 07P E CAI 12151 C CAJ . 07P W . ? 0.4051 0.5316 0.7185 -0.0500 -0.0733 0.1654 286 07P E CAJ 12152 C CAF . 07P W . ? 0.3980 0.5051 0.7612 -0.0515 -0.0791 0.1643 286 07P E CAF 12153 C CAE . 07P W . ? 0.3879 0.4660 0.7747 -0.0516 -0.0926 0.1354 286 07P E CAE 12154 C CAD . 07P W . ? 0.3746 0.4657 0.8049 -0.0550 -0.0945 0.1484 286 07P E CAD 12155 C CAC . 07P W . ? 0.3802 0.4484 0.8737 -0.0578 -0.1102 0.1315 286 07P E CAC 12156 O OAG . 07P W . ? 0.3991 0.4374 0.8707 -0.0528 -0.1209 0.0944 286 07P E OAG 12157 C CAB . 07P W . ? 0.3710 0.4468 0.9506 -0.0637 -0.1084 0.1641 286 07P E CAB 12158 C CAA . 07P W . ? 0.3708 0.4311 1.0215 -0.0695 -0.1255 0.1502 286 07P E CAA 12159 O O1 . 07P W . ? 0.3446 0.4295 0.9884 -0.0721 -0.1222 0.1588 286 07P E O1 12160 C C1 . 07P W . ? 0.3434 0.4211 1.0566 -0.0790 -0.1390 0.1483 286 07P E C1 12161 O O5 . 07P W . ? 0.3501 0.4368 1.1596 -0.0894 -0.1364 0.1864 286 07P E O5 12162 C C5 . 07P W . ? 0.3365 0.4710 1.1616 -0.0937 -0.1136 0.2411 286 07P E C5 12163 C C6 . 07P W . ? 0.3436 0.4853 1.2795 -0.1063 -0.1133 0.2847 286 07P E C6 12164 O O6 . 07P W . ? 0.3427 0.4899 1.2749 -0.1037 -0.1007 0.3191 286 07P E O6 12165 C C4 . 07P W . ? 0.3269 0.4930 1.1318 -0.0924 -0.1085 0.2393 286 07P E C4 12166 O O4 . 07P W . ? 0.3416 0.5022 1.2244 -0.1018 -0.1264 0.2288 286 07P E O4 12167 C C3 . 07P W . ? 0.3166 0.4682 1.0221 -0.0802 -0.1124 0.1976 286 07P E C3 12168 O O3 . 07P W . ? 0.3226 0.4997 1.0207 -0.0772 -0.1107 0.1940 286 07P E O3 12169 C C2 . 07P W . ? 0.3295 0.4329 1.0211 -0.0779 -0.1367 0.1481 286 07P E C2 12170 O O2 . 07P W . ? 0.3133 0.4063 0.9131 -0.0675 -0.1381 0.1189 286 07P E O2 12171 N NAW . 07P W . ? 0.3610 0.4785 0.9490 -0.0668 -0.0912 0.2110 286 07P E NAW 12172 C CAX . 07P W . ? 0.3681 0.5030 1.0086 -0.0704 -0.0835 0.2532 286 07P E CAX 12173 O OAY . 07P W . ? 0.3886 0.5015 1.0813 -0.0714 -0.0908 0.2565 286 07P E OAY 12174 C CAZ . 07P W . ? 0.3629 0.5511 0.9957 -0.0712 -0.0644 0.2992 286 07P E CAZ 12175 C CBA . 07P W . ? 0.3670 0.5785 1.0032 -0.0692 -0.0544 0.3399 286 07P E CBA 12176 C CBB . 07P W . ? 0.3627 0.6200 0.9242 -0.0626 -0.0391 0.3534 286 07P E CBB 12177 C CBC . 07P W . ? 0.3596 0.6020 0.8532 -0.0565 -0.0431 0.3269 286 07P E CBC 12178 C CBD . 07P W . ? 0.3708 0.6333 0.8797 -0.0546 -0.0401 0.3637 286 07P E CBD 12179 C CBE . 07P W . ? 0.3722 0.6615 0.8035 -0.0486 -0.0363 0.3577 286 07P E CBE 12180 C CBF . 07P W . ? 0.3831 0.6960 0.8316 -0.0458 -0.0364 0.3948 286 07P E CBF 12181 C CBG . 07P W . ? 0.3802 0.6840 0.7766 -0.0427 -0.0434 0.3665 286 07P E CBG 12182 C CBH . 07P W . ? 0.3945 0.7177 0.8188 -0.0390 -0.0469 0.4004 286 07P E CBH 12183 C CBI . 07P W . ? 0.3907 0.6683 0.8665 -0.0383 -0.0549 0.3848 286 07P E CBI 12184 C CBJ . 07P W . ? 0.4017 0.6989 0.9080 -0.0323 -0.0593 0.4165 286 07P E CBJ 12185 C CBK . 07P W . ? 0.4112 0.6768 1.0087 -0.0295 -0.0641 0.4314 286 07P E CBK 12186 C CBL . 07P W . ? 0.4308 0.7271 1.0720 -0.0228 -0.0674 0.4843 286 07P E CBL 12187 C CBM . 07P W . ? 0.4490 0.7288 1.1880 -0.0231 -0.0696 0.5242 286 07P E CBM 12188 C CBN . 07P W . ? 0.4660 0.7942 1.2101 -0.0279 -0.0610 0.5850 286 07P E CBN 12189 C CBO . 07P W . ? 0.4885 0.8535 1.2741 -0.0208 -0.0645 0.6506 286 07P E CBO 12190 C CBP . 07P W . ? 0.5155 0.9141 1.3481 -0.0265 -0.0560 0.7196 286 07P E CBP 12191 C CBQ . 07P W . ? 0.5229 0.9977 1.2747 -0.0252 -0.0441 0.7495 286 07P E CBQ 12192 C CBR . 07P W . ? 0.5335 1.0368 1.3131 -0.0337 -0.0289 0.7924 286 07P E CBR 12193 C CBS . 07P W . ? 0.5373 1.1122 1.2222 -0.0302 -0.0145 0.7977 286 07P E CBS 12194 C CBT . 07P W . ? 0.5112 1.0704 1.1643 -0.0367 -0.0046 0.7493 286 07P E CBT 12195 C CBU . 07P W . ? 0.5237 1.1601 1.1062 -0.0315 0.0132 0.7658 286 07P E CBU 12196 C CBV . 07P W . ? 0.5128 1.1625 0.9879 -0.0226 0.0086 0.7081 286 07P E CBV 12197 C CBW . 07P W . ? 0.4828 1.0843 0.9286 -0.0266 0.0083 0.6374 286 07P E CBW 12198 C CBX . 07P W . ? 0.4590 1.0078 0.8696 -0.0265 -0.0088 0.5783 286 07P E CBX 12205 O O . HOH Y . ? 0.5530 0.5885 0.2775 -0.0293 0.0635 0.0569 287 HOH A O 12206 O O . HOH Y . ? 0.6342 0.2793 0.6579 -0.0741 0.2848 -0.0123 288 HOH A O 12207 O O . HOH Y . ? 0.8799 0.7594 0.2766 0.0033 -0.1495 -0.1000 289 HOH A O 12208 O O . HOH Y . ? 1.1554 1.0893 0.4515 -0.0324 -0.2310 -0.2023 290 HOH A O 12209 O O . HOH Y . ? 0.7563 0.4977 0.4439 -0.0176 0.1724 0.0316 291 HOH A O 12210 O O . HOH Y . ? 0.4961 0.6955 0.6215 0.1980 0.3641 0.2154 292 HOH A O 12211 O O . HOH Y . ? 0.5443 0.3154 0.3612 -0.0336 0.1814 0.0388 293 HOH A O 12212 O O . HOH Y . ? 1.1055 1.2327 0.6062 0.1670 0.4084 0.3911 294 HOH A O 12213 O O . HOH Y . ? 0.4277 0.3962 0.4695 0.0276 0.1189 0.0777 295 HOH A O 12214 O O . HOH Z . ? 0.4965 0.5898 0.4095 0.0689 0.1127 0.0047 100 HOH B O 12215 O O . HOH Z . ? 0.5956 1.3117 1.0731 -0.1261 -0.1647 -0.4767 101 HOH B O 12216 O O . HOH Z . ? 0.6222 0.8022 0.4878 0.0776 0.1635 -0.1218 102 HOH B O 12217 O O . HOH Z . ? 0.5486 1.0131 0.7955 0.3377 0.2481 0.1262 103 HOH B O 12218 O O . HOH Z . ? 0.5109 1.4891 0.9063 0.1686 -0.1390 0.0682 104 HOH B O 12219 O O . HOH Z . ? 0.5410 0.8436 1.0672 -0.1376 0.1527 0.0465 105 HOH B O 12220 O O . HOH AA . ? 0.2518 0.7484 0.3292 -0.1298 -0.0788 -0.0538 211 HOH C O 12221 O O . HOH AA . ? 0.3424 0.3146 0.5957 0.0496 0.0320 0.1175 212 HOH C O 12222 O O . HOH AA . ? 0.3658 0.4821 0.3462 -0.0023 -0.0482 -0.0257 213 HOH C O 12223 O O . HOH AA . ? 0.2930 0.2277 0.3633 -0.0099 0.0225 -0.0218 214 HOH C O 12224 O O . HOH AA . ? 0.3131 0.1935 0.3192 0.0123 -0.0118 -0.0102 215 HOH C O 12225 O O . HOH AA . ? 0.4199 0.3588 0.4125 0.0526 -0.0151 0.0737 216 HOH C O 12226 O O . HOH AA . ? 0.4141 0.7526 0.9866 -0.1201 0.2174 -0.0765 217 HOH C O 12227 O O . HOH AA . ? 0.3510 0.3889 0.2579 -0.0208 -0.0131 -0.0132 218 HOH C O 12228 O O . HOH AA . ? 0.4010 0.3427 0.5799 -0.0034 0.1841 -0.0430 219 HOH C O 12229 O O . HOH AA . ? 0.9128 0.4534 0.5750 0.0693 0.2375 0.0726 220 HOH C O 12230 O O . HOH BA . ? 0.4256 0.6520 0.2450 0.1241 -0.0046 0.0515 242 HOH D O 12231 O O . HOH BA . ? 0.2987 0.4121 0.2923 -0.0627 -0.0205 -0.0855 243 HOH D O 12232 O O . HOH BA . ? 0.4689 0.6808 0.5016 0.2303 -0.0243 -0.1157 244 HOH D O 12233 O O . HOH BA . ? 0.4312 0.3599 0.3247 0.0736 0.0073 -0.0447 245 HOH D O 12234 O O . HOH BA . ? 0.8083 0.7780 0.6314 -0.2270 0.2348 -0.3126 246 HOH D O 12235 O O . HOH BA . ? 0.4235 0.2757 0.2679 0.0277 0.0340 -0.0115 247 HOH D O 12236 O O . HOH BA . ? 0.3898 0.3395 0.2162 0.0184 0.0187 -0.0032 248 HOH D O 12237 O O . HOH BA . ? 0.8717 0.4601 0.5569 0.0762 0.0690 -0.0157 249 HOH D O 12238 O O . HOH BA . ? 0.5696 0.5367 0.6019 0.2521 -0.0209 -0.1168 250 HOH D O 12239 O O . HOH BA . ? 0.4994 0.5315 0.5366 0.2745 -0.0429 -0.0931 251 HOH D O 12240 O O . HOH BA . ? 0.3634 0.3936 0.1950 -0.0072 0.0112 0.0291 252 HOH D O 12241 O O . HOH BA . ? 0.4393 0.6542 1.1106 -0.1844 0.0393 -0.2599 253 HOH D O 12242 O O . HOH CA . ? 0.5297 0.6234 0.5360 -0.1555 -0.0411 0.1529 288 HOH E O 12243 O O . HOH CA . ? 0.7015 5.1450 0.7620 0.3443 -0.0698 -0.5227 289 HOH E O 12244 O O . HOH CA . ? 0.6971 0.6694 0.4226 -0.0222 -0.1650 0.0889 290 HOH E O 12245 O O . HOH DA . ? 0.2759 0.8541 0.9388 -0.1072 0.1117 0.2080 100 HOH F O 12246 O O . HOH DA . ? 0.3119 1.4651 0.6619 0.1064 0.0819 0.4159 101 HOH F O 12247 O O . HOH DA . ? 0.6238 3.2475 0.4838 0.1472 0.0169 0.4198 102 HOH F O 12248 O O . HOH DA . ? 0.3620 3.2836 0.6436 0.4804 0.0131 0.5337 103 HOH F O 12249 O O . HOH DA . ? 0.3259 1.8997 0.6768 0.0654 -0.1204 -0.2626 104 HOH F O 12250 O O . HOH EA . ? 0.4152 0.5441 0.3639 -0.2388 -0.0949 0.2206 211 HOH G O 12251 O O . HOH EA . ? 0.3693 0.3458 0.6005 0.0704 -0.0213 -0.0314 212 HOH G O 12252 O O . HOH EA . ? 0.4484 0.2850 0.7370 0.0123 -0.1436 0.0912 213 HOH G O 12253 O O . HOH EA . ? 0.2884 0.2626 0.6755 0.0599 -0.0937 -0.0458 214 HOH G O 12254 O O . HOH EA . ? 0.3569 0.3886 0.5767 -0.0383 -0.0438 0.1020 215 HOH G O 12255 O O . HOH EA . ? 0.2241 0.6204 0.5550 -0.0663 0.0616 -0.1774 216 HOH G O 12256 O O . HOH EA . ? 0.3122 0.2054 0.4632 0.0262 -0.0520 0.0717 217 HOH G O 12257 O O . HOH FA . ? 0.4772 0.9230 0.8115 -0.1937 -0.1183 0.2235 241 HOH H O 12258 O O . HOH FA . ? 0.3972 0.4680 0.4358 -0.0392 0.0199 0.0517 242 HOH H O 12259 O O . HOH FA . ? 0.4632 0.6490 0.6576 0.2709 -0.0127 0.1714 243 HOH H O 12260 O O . HOH FA . ? 0.3943 0.6680 0.4202 0.0339 -0.0828 0.1408 244 HOH H O 12261 O O . HOH FA . ? 0.5605 0.3308 0.5157 0.1462 -0.0074 -0.0488 245 HOH H O 12262 O O . HOH FA . ? 0.5921 0.8635 0.4823 -0.1164 0.0466 0.0086 246 HOH H O 12263 O O . HOH FA . ? 0.4999 0.3876 0.4471 0.1511 -0.0162 -0.0343 247 HOH H O 12264 O O . HOH FA . ? 0.4892 0.5686 0.3473 0.0539 -0.0620 0.0440 248 HOH H O # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 SER 1 1 ? ? ? A . n A 1 2 GLU 2 2 ? ? ? A . n A 1 3 ALA 3 3 ? ? ? A . n A 1 4 GLN 4 4 ? ? ? A . n A 1 5 GLN 5 5 ? ? ? A . n A 1 6 LYS 6 6 6 LYS LYS A . n A 1 7 ASN 7 7 7 ASN ASN A . n A 1 8 TYR 8 8 8 TYR TYR A . n A 1 9 THR 9 9 9 THR THR A . n A 1 10 PHE 10 10 10 PHE PHE A . n A 1 11 ARG 11 11 11 ARG ARG A . n A 1 12 CYS 12 12 12 CYS CYS A . n A 1 13 LEU 13 13 13 LEU LEU A . n A 1 14 GLN 14 14 14 GLN GLN A . n A 1 15 MET 15 15 15 MET MET A . n A 1 16 SER 16 16 16 SER SER A . n A 1 17 SER 17 17 17 SER SER A . n A 1 18 PHE 18 18 18 PHE PHE A . n A 1 19 ALA 19 19 19 ALA ALA A . n A 1 20 ASN 20 20 20 ASN ASN A . n A 1 21 ARG 21 21 21 ARG ARG A . n A 1 22 SER 22 22 22 SER SER A . n A 1 23 TRP 23 23 23 TRP TRP A . n A 1 24 SER 24 24 24 SER SER A . n A 1 25 ARG 25 25 25 ARG ARG A . n A 1 26 THR 26 26 26 THR THR A . n A 1 27 ASP 27 27 27 ASP ASP A . n A 1 28 SER 28 28 28 SER SER A . n A 1 29 VAL 29 29 29 VAL VAL A . n A 1 30 VAL 30 30 30 VAL VAL A . n A 1 31 TRP 31 31 31 TRP TRP A . n A 1 32 LEU 32 32 32 LEU LEU A . n A 1 33 GLY 33 33 33 GLY GLY A . n A 1 34 ASP 34 34 34 ASP ASP A . n A 1 35 LEU 35 35 35 LEU LEU A . n A 1 36 GLN 36 36 36 GLN GLN A . n A 1 37 THR 37 37 37 THR THR A . n A 1 38 HIS 38 38 38 HIS HIS A . n A 1 39 ARG 39 39 39 ARG ARG A . n A 1 40 TRP 40 40 40 TRP TRP A . n A 1 41 SER 41 41 41 SER SER A . n A 1 42 ASN 42 42 42 ASN ASN A . n A 1 43 ASP 43 43 43 ASP ASP A . n A 1 44 SER 44 44 44 SER SER A . n A 1 45 ALA 45 45 45 ALA ALA A . n A 1 46 THR 46 46 46 THR THR A . n A 1 47 ILE 47 47 47 ILE ILE A . n A 1 48 SER 48 48 48 SER SER A . n A 1 49 PHE 49 49 49 PHE PHE A . n A 1 50 THR 50 50 50 THR THR A . n A 1 51 LYS 51 51 51 LYS LYS A . n A 1 52 PRO 52 52 52 PRO PRO A . n A 1 53 TRP 53 53 53 TRP TRP A . n A 1 54 SER 54 54 54 SER SER A . n A 1 55 GLN 55 55 55 GLN GLN A . n A 1 56 GLY 56 56 56 GLY GLY A . n A 1 57 LYS 57 57 57 LYS LYS A . n A 1 58 LEU 58 58 58 LEU LEU A . n A 1 59 SER 59 59 59 SER SER A . n A 1 60 ASN 60 60 60 ASN ASN A . n A 1 61 GLN 61 61 61 GLN GLN A . n A 1 62 GLN 62 62 62 GLN GLN A . n A 1 63 TRP 63 63 63 TRP TRP A . n A 1 64 GLU 64 64 64 GLU GLU A . n A 1 65 LYS 65 65 65 LYS LYS A . n A 1 66 LEU 66 66 66 LEU LEU A . n A 1 67 GLN 67 67 67 GLN GLN A . n A 1 68 HIS 68 68 68 HIS HIS A . n A 1 69 MET 69 69 69 MET MET A . n A 1 70 PHE 70 70 70 PHE PHE A . n A 1 71 GLN 71 71 71 GLN GLN A . n A 1 72 VAL 72 72 72 VAL VAL A . n A 1 73 TYR 73 73 73 TYR TYR A . n A 1 74 ARG 74 74 74 ARG ARG A . n A 1 75 VAL 75 75 75 VAL VAL A . n A 1 76 SER 76 76 76 SER SER A . n A 1 77 PHE 77 77 77 PHE PHE A . n A 1 78 THR 78 78 78 THR THR A . n A 1 79 ARG 79 79 79 ARG ARG A . n A 1 80 ASP 80 80 80 ASP ASP A . n A 1 81 ILE 81 81 81 ILE ILE A . n A 1 82 GLN 82 82 82 GLN GLN A . n A 1 83 GLU 83 83 83 GLU GLU A . n A 1 84 LEU 84 84 84 LEU LEU A . n A 1 85 VAL 85 85 85 VAL VAL A . n A 1 86 LYS 86 86 86 LYS LYS A . n A 1 87 MET 87 87 87 MET MET A . n A 1 88 MET 88 88 88 MET MET A . n A 1 89 SER 89 89 89 SER SER A . n A 1 90 PRO 90 90 90 PRO PRO A . n A 1 91 LYS 91 91 91 LYS LYS A . n A 1 92 GLU 92 92 92 GLU GLU A . n A 1 93 ASP 93 93 93 ASP ASP A . n A 1 94 TYR 94 94 94 TYR TYR A . n A 1 95 PRO 95 95 95 PRO PRO A . n A 1 96 ILE 96 96 96 ILE ILE A . n A 1 97 GLU 97 97 97 GLU GLU A . n A 1 98 ILE 98 98 98 ILE ILE A . n A 1 99 GLN 99 99 99 GLN GLN A . n A 1 100 LEU 100 100 100 LEU LEU A . n A 1 101 SER 101 101 101 SER SER A . n A 1 102 ALA 102 102 102 ALA ALA A . n A 1 103 GLY 103 103 103 GLY GLY A . n A 1 104 CYS 104 104 104 CYS CYS A . n A 1 105 GLU 105 105 105 GLU GLU A . n A 1 106 MET 106 106 106 MET MET A . n A 1 107 TYR 107 107 107 TYR TYR A . n A 1 108 PRO 108 108 108 PRO PRO A . n A 1 109 GLY 109 109 109 GLY GLY A . n A 1 110 ASN 110 110 110 ASN ASN A . n A 1 111 ALA 111 111 111 ALA ALA A . n A 1 112 SER 112 112 112 SER SER A . n A 1 113 GLU 113 113 113 GLU GLU A . n A 1 114 SER 114 114 114 SER SER A . n A 1 115 PHE 115 115 115 PHE PHE A . n A 1 116 LEU 116 116 116 LEU LEU A . n A 1 117 HIS 117 117 117 HIS HIS A . n A 1 118 VAL 118 118 118 VAL VAL A . n A 1 119 ALA 119 119 119 ALA ALA A . n A 1 120 PHE 120 120 120 PHE PHE A . n A 1 121 GLN 121 121 121 GLN GLN A . n A 1 122 GLY 122 122 122 GLY GLY A . n A 1 123 LYS 123 123 123 LYS LYS A . n A 1 124 TYR 124 124 124 TYR TYR A . n A 1 125 VAL 125 125 125 VAL VAL A . n A 1 126 VAL 126 126 126 VAL VAL A . n A 1 127 ARG 127 127 127 ARG ARG A . n A 1 128 PHE 128 128 128 PHE PHE A . n A 1 129 TRP 129 129 129 TRP TRP A . n A 1 130 GLY 130 130 130 GLY GLY A . n A 1 131 THR 131 131 131 THR THR A . n A 1 132 SER 132 132 132 SER SER A . n A 1 133 TRP 133 133 133 TRP TRP A . n A 1 134 GLN 134 134 134 GLN GLN A . n A 1 135 THR 135 135 135 THR THR A . n A 1 136 VAL 136 136 136 VAL VAL A . n A 1 137 PRO 137 137 137 PRO PRO A . n A 1 138 GLY 138 138 138 GLY GLY A . n A 1 139 ALA 139 139 139 ALA ALA A . n A 1 140 PRO 140 140 140 PRO PRO A . n A 1 141 SER 141 141 141 SER SER A . n A 1 142 TRP 142 142 142 TRP TRP A . n A 1 143 LEU 143 143 143 LEU LEU A . n A 1 144 ASP 144 144 144 ASP ASP A . n A 1 145 LEU 145 145 145 LEU LEU A . n A 1 146 PRO 146 146 146 PRO PRO A . n A 1 147 ILE 147 147 147 ILE ILE A . n A 1 148 LYS 148 148 148 LYS LYS A . n A 1 149 VAL 149 149 149 VAL VAL A . n A 1 150 LEU 150 150 150 LEU LEU A . n A 1 151 ASN 151 151 151 ASN ASN A . n A 1 152 ALA 152 152 152 ALA ALA A . n A 1 153 ASP 153 153 153 ASP ASP A . n A 1 154 GLN 154 154 154 GLN GLN A . n A 1 155 GLY 155 155 155 GLY GLY A . n A 1 156 THR 156 156 156 THR THR A . n A 1 157 SER 157 157 157 SER SER A . n A 1 158 ALA 158 158 158 ALA ALA A . n A 1 159 THR 159 159 159 THR THR A . n A 1 160 VAL 160 160 160 VAL VAL A . n A 1 161 GLN 161 161 161 GLN GLN A . n A 1 162 MET 162 162 162 MET MET A . n A 1 163 LEU 163 163 163 LEU LEU A . n A 1 164 LEU 164 164 164 LEU LEU A . n A 1 165 ASN 165 165 165 ASN ASN A . n A 1 166 ASP 166 166 166 ASP ASP A . n A 1 167 THR 167 167 167 THR THR A . n A 1 168 CYS 168 168 168 CYS CYS A . n A 1 169 PRO 169 169 169 PRO PRO A . n A 1 170 LEU 170 170 170 LEU LEU A . n A 1 171 PHE 171 171 171 PHE PHE A . n A 1 172 VAL 172 172 172 VAL VAL A . n A 1 173 ARG 173 173 173 ARG ARG A . n A 1 174 GLY 174 174 174 GLY GLY A . n A 1 175 LEU 175 175 175 LEU LEU A . n A 1 176 LEU 176 176 176 LEU LEU A . n A 1 177 GLU 177 177 177 GLU GLU A . n A 1 178 ALA 178 178 178 ALA ALA A . n A 1 179 GLY 179 179 179 GLY GLY A . n A 1 180 LYS 180 180 180 LYS LYS A . n A 1 181 SER 181 181 181 SER SER A . n A 1 182 ASP 182 182 182 ASP ASP A . n A 1 183 LEU 183 183 183 LEU LEU A . n A 1 184 GLU 184 184 184 GLU GLU A . n A 1 185 LYS 185 185 185 LYS LYS A . n A 1 186 GLN 186 186 186 GLN GLN A . n A 1 187 GLU 187 187 187 GLU GLU A . n A 1 188 LYS 188 188 188 LYS LYS A . n A 1 189 PRO 189 189 189 PRO PRO A . n A 1 190 VAL 190 190 190 VAL VAL A . n A 1 191 ALA 191 191 191 ALA ALA A . n A 1 192 TRP 192 192 192 TRP TRP A . n A 1 193 LEU 193 193 193 LEU LEU A . n A 1 194 SER 194 194 194 SER SER A . n A 1 195 SER 195 195 195 SER SER A . n A 1 196 VAL 196 196 196 VAL VAL A . n A 1 197 PRO 197 197 197 PRO PRO A . n A 1 198 SER 198 198 198 SER SER A . n A 1 199 SER 199 199 199 SER SER A . n A 1 200 ALA 200 200 ? ? ? A . n A 1 201 HIS 201 201 ? ? ? A . n A 1 202 GLY 202 202 ? ? ? A . n A 1 203 HIS 203 203 203 HIS HIS A . n A 1 204 ARG 204 204 204 ARG ARG A . n A 1 205 GLN 205 205 205 GLN GLN A . n A 1 206 LEU 206 206 206 LEU LEU A . n A 1 207 VAL 207 207 207 VAL VAL A . n A 1 208 CYS 208 208 208 CYS CYS A . n A 1 209 HIS 209 209 209 HIS HIS A . n A 1 210 VAL 210 210 210 VAL VAL A . n A 1 211 SER 211 211 211 SER SER A . n A 1 212 GLY 212 212 212 GLY GLY A . n A 1 213 PHE 213 213 213 PHE PHE A . n A 1 214 TYR 214 214 214 TYR TYR A . n A 1 215 PRO 215 215 215 PRO PRO A . n A 1 216 LYS 216 216 216 LYS LYS A . n A 1 217 PRO 217 217 217 PRO PRO A . n A 1 218 VAL 218 218 218 VAL VAL A . n A 1 219 TRP 219 219 219 TRP TRP A . n A 1 220 VAL 220 220 220 VAL VAL A . n A 1 221 MET 221 221 221 MET MET A . n A 1 222 TRP 222 222 222 TRP TRP A . n A 1 223 MET 223 223 223 MET MET A . n A 1 224 ARG 224 224 224 ARG ARG A . n A 1 225 GLY 225 225 225 GLY GLY A . n A 1 226 ASP 226 226 226 ASP ASP A . n A 1 227 GLN 227 227 227 GLN GLN A . n A 1 228 GLU 228 228 228 GLU GLU A . n A 1 229 GLN 229 229 229 GLN GLN A . n A 1 230 GLN 230 230 230 GLN GLN A . n A 1 231 GLY 231 231 231 GLY GLY A . n A 1 232 THR 232 232 232 THR THR A . n A 1 233 HIS 233 233 233 HIS HIS A . n A 1 234 ARG 234 234 234 ARG ARG A . n A 1 235 GLY 235 235 235 GLY GLY A . n A 1 236 ASP 236 236 236 ASP ASP A . n A 1 237 PHE 237 237 237 PHE PHE A . n A 1 238 LEU 238 238 238 LEU LEU A . n A 1 239 PRO 239 239 239 PRO PRO A . n A 1 240 ASN 240 240 240 ASN ASN A . n A 1 241 ALA 241 241 241 ALA ALA A . n A 1 242 ASP 242 242 242 ASP ASP A . n A 1 243 GLU 243 243 243 GLU GLU A . n A 1 244 THR 244 244 244 THR THR A . n A 1 245 TRP 245 245 245 TRP TRP A . n A 1 246 TYR 246 246 246 TYR TYR A . n A 1 247 LEU 247 247 247 LEU LEU A . n A 1 248 GLN 248 248 248 GLN GLN A . n A 1 249 ALA 249 249 249 ALA ALA A . n A 1 250 THR 250 250 250 THR THR A . n A 1 251 LEU 251 251 251 LEU LEU A . n A 1 252 ASP 252 252 252 ASP ASP A . n A 1 253 VAL 253 253 ? ? ? A . n A 1 254 GLU 254 254 ? ? ? A . n A 1 255 ALA 255 255 ? ? ? A . n A 1 256 GLY 256 256 256 GLY GLY A . n A 1 257 GLU 257 257 257 GLU GLU A . n A 1 258 GLU 258 258 258 GLU GLU A . n A 1 259 ALA 259 259 259 ALA ALA A . n A 1 260 GLY 260 260 260 GLY GLY A . n A 1 261 LEU 261 261 261 LEU LEU A . n A 1 262 ALA 262 262 262 ALA ALA A . n A 1 263 CYS 263 263 263 CYS CYS A . n A 1 264 ARG 264 264 264 ARG ARG A . n A 1 265 VAL 265 265 265 VAL VAL A . n A 1 266 LYS 266 266 266 LYS LYS A . n A 1 267 HIS 267 267 267 HIS HIS A . n A 1 268 SER 268 268 268 SER SER A . n A 1 269 SER 269 269 269 SER SER A . n A 1 270 LEU 270 270 270 LEU LEU A . n A 1 271 GLY 271 271 271 GLY GLY A . n A 1 272 GLY 272 272 272 GLY GLY A . n A 1 273 GLN 273 273 273 GLN GLN A . n A 1 274 ASP 274 274 274 ASP ASP A . n A 1 275 ILE 275 275 275 ILE ILE A . n A 1 276 ILE 276 276 276 ILE ILE A . n A 1 277 LEU 277 277 277 LEU LEU A . n A 1 278 TYR 278 278 278 TYR TYR A . n A 1 279 TRP 279 279 279 TRP TRP A . n A 1 280 HIS 280 280 ? ? ? A . n A 1 281 HIS 281 281 ? ? ? A . n A 1 282 HIS 282 282 ? ? ? A . n A 1 283 HIS 283 283 ? ? ? A . n A 1 284 HIS 284 284 ? ? ? A . n A 1 285 HIS 285 285 ? ? ? A . n B 2 1 ILE 1 1 ? ? ? B . n B 2 2 GLN 2 2 2 GLN GLN B . n B 2 3 LYS 3 3 3 LYS LYS B . n B 2 4 THR 4 4 4 THR THR B . n B 2 5 PRO 5 5 5 PRO PRO B . n B 2 6 GLN 6 6 6 GLN GLN B . n B 2 7 ILE 7 7 7 ILE ILE B . n B 2 8 GLN 8 8 8 GLN GLN B . n B 2 9 VAL 9 9 9 VAL VAL B . n B 2 10 TYR 10 10 10 TYR TYR B . n B 2 11 SER 11 11 11 SER SER B . n B 2 12 ARG 12 12 12 ARG ARG B . n B 2 13 HIS 13 13 13 HIS HIS B . n B 2 14 PRO 14 14 14 PRO PRO B . n B 2 15 PRO 15 15 15 PRO PRO B . n B 2 16 GLU 16 16 16 GLU GLU B . n B 2 17 ASN 17 17 17 ASN ASN B . n B 2 18 GLY 18 18 18 GLY GLY B . n B 2 19 LYS 19 19 19 LYS LYS B . n B 2 20 PRO 20 20 20 PRO PRO B . n B 2 21 ASN 21 21 21 ASN ASN B . n B 2 22 ILE 22 22 22 ILE ILE B . n B 2 23 LEU 23 23 23 LEU LEU B . n B 2 24 ASN 24 24 24 ASN ASN B . n B 2 25 CYS 25 25 25 CYS CYS B . n B 2 26 TYR 26 26 26 TYR TYR B . n B 2 27 VAL 27 27 27 VAL VAL B . n B 2 28 THR 28 28 28 THR THR B . n B 2 29 GLN 29 29 29 GLN GLN B . n B 2 30 PHE 30 30 30 PHE PHE B . n B 2 31 HIS 31 31 31 HIS HIS B . n B 2 32 PRO 32 32 32 PRO PRO B . n B 2 33 PRO 33 33 33 PRO PRO B . n B 2 34 HIS 34 34 34 HIS HIS B . n B 2 35 ILE 35 35 35 ILE ILE B . n B 2 36 GLU 36 36 36 GLU GLU B . n B 2 37 ILE 37 37 37 ILE ILE B . n B 2 38 GLN 38 38 38 GLN GLN B . n B 2 39 MET 39 39 39 MET MET B . n B 2 40 LEU 40 40 40 LEU LEU B . n B 2 41 LYS 41 41 41 LYS LYS B . n B 2 42 ASN 42 42 42 ASN ASN B . n B 2 43 GLY 43 43 43 GLY GLY B . n B 2 44 LYS 44 44 44 LYS LYS B . n B 2 45 LYS 45 45 45 LYS LYS B . n B 2 46 ILE 46 46 46 ILE ILE B . n B 2 47 PRO 47 47 47 PRO PRO B . n B 2 48 LYS 48 48 48 LYS LYS B . n B 2 49 VAL 49 49 49 VAL VAL B . n B 2 50 GLU 50 50 50 GLU GLU B . n B 2 51 MET 51 51 51 MET MET B . n B 2 52 SER 52 52 52 SER SER B . n B 2 53 ASP 53 53 53 ASP ASP B . n B 2 54 MET 54 54 54 MET MET B . n B 2 55 SER 55 55 55 SER SER B . n B 2 56 PHE 56 56 56 PHE PHE B . n B 2 57 SER 57 57 57 SER SER B . n B 2 58 LYS 58 58 58 LYS LYS B . n B 2 59 ASP 59 59 59 ASP ASP B . n B 2 60 TRP 60 60 60 TRP TRP B . n B 2 61 SER 61 61 61 SER SER B . n B 2 62 PHE 62 62 62 PHE PHE B . n B 2 63 TYR 63 63 63 TYR TYR B . n B 2 64 ILE 64 64 64 ILE ILE B . n B 2 65 LEU 65 65 65 LEU LEU B . n B 2 66 ALA 66 66 66 ALA ALA B . n B 2 67 HIS 67 67 67 HIS HIS B . n B 2 68 THR 68 68 68 THR THR B . n B 2 69 GLU 69 69 69 GLU GLU B . n B 2 70 PHE 70 70 70 PHE PHE B . n B 2 71 THR 71 71 71 THR THR B . n B 2 72 PRO 72 72 72 PRO PRO B . n B 2 73 THR 73 73 73 THR THR B . n B 2 74 GLU 74 74 74 GLU GLU B . n B 2 75 THR 75 75 75 THR THR B . n B 2 76 ASP 76 76 76 ASP ASP B . n B 2 77 THR 77 77 77 THR THR B . n B 2 78 TYR 78 78 78 TYR TYR B . n B 2 79 ALA 79 79 79 ALA ALA B . n B 2 80 CYS 80 80 80 CYS CYS B . n B 2 81 ARG 81 81 81 ARG ARG B . n B 2 82 VAL 82 82 82 VAL VAL B . n B 2 83 LYS 83 83 83 LYS LYS B . n B 2 84 HIS 84 84 84 HIS HIS B . n B 2 85 ALA 85 85 85 ALA ALA B . n B 2 86 SER 86 86 86 SER SER B . n B 2 87 MET 87 87 87 MET MET B . n B 2 88 ALA 88 88 88 ALA ALA B . n B 2 89 GLU 89 89 89 GLU GLU B . n B 2 90 PRO 90 90 90 PRO PRO B . n B 2 91 LYS 91 91 91 LYS LYS B . n B 2 92 THR 92 92 92 THR THR B . n B 2 93 VAL 93 93 93 VAL VAL B . n B 2 94 TYR 94 94 94 TYR TYR B . n B 2 95 TRP 95 95 95 TRP TRP B . n B 2 96 ASP 96 96 96 ASP ASP B . n B 2 97 ARG 97 97 97 ARG ARG B . n B 2 98 ASP 98 98 98 ASP ASP B . n B 2 99 MET 99 99 99 MET MET B . n C 3 1 MET 1 -1 ? ? ? C . n C 3 2 LYS 2 0 ? ? ? C . n C 3 3 THR 3 1 1 THR THR C . n C 3 4 GLN 4 2 2 GLN GLN C . n C 3 5 VAL 5 3 3 VAL VAL C . n C 3 6 GLU 6 4 4 GLU GLU C . n C 3 7 GLN 7 5 5 GLN GLN C . n C 3 8 SER 8 6 6 SER SER C . n C 3 9 PRO 9 7 7 PRO PRO C . n C 3 10 GLN 10 8 8 GLN GLN C . n C 3 11 SER 11 9 9 SER SER C . n C 3 12 LEU 12 10 10 LEU LEU C . n C 3 13 VAL 13 11 11 VAL VAL C . n C 3 14 VAL 14 12 12 VAL VAL C . n C 3 15 ARG 15 13 13 ARG ARG C . n C 3 16 GLN 16 14 14 GLN GLN C . n C 3 17 GLY 17 15 15 GLY GLY C . n C 3 18 GLU 18 16 16 GLU GLU C . n C 3 19 ASN 19 17 17 ASN ASN C . n C 3 20 CYS 20 18 18 CYS CYS C . n C 3 21 VAL 21 19 19 VAL VAL C . n C 3 22 LEU 22 20 20 LEU LEU C . n C 3 23 GLN 23 21 21 GLN GLN C . n C 3 24 CYS 24 22 22 CYS CYS C . n C 3 25 ASN 25 23 23 ASN ASN C . n C 3 26 TYR 26 24 24 TYR TYR C . n C 3 27 SER 27 25 25 SER SER C . n C 3 28 VAL 28 26 26 VAL VAL C . n C 3 29 THR 29 27 27 THR THR C . n C 3 30 PRO 30 28 28 PRO PRO C . n C 3 31 ASP 31 29 29 ASP ASP C . n C 3 32 ASN 32 30 30 ASN ASN C . n C 3 33 HIS 33 31 31 HIS HIS C . n C 3 34 LEU 34 32 32 LEU LEU C . n C 3 35 ARG 35 33 33 ARG ARG C . n C 3 36 TRP 36 34 34 TRP TRP C . n C 3 37 PHE 37 35 35 PHE PHE C . n C 3 38 LYS 38 36 36 LYS LYS C . n C 3 39 GLN 39 37 37 GLN GLN C . n C 3 40 ASP 40 38 38 ASP ASP C . n C 3 41 THR 41 39 39 THR THR C . n C 3 42 GLY 42 40 40 GLY GLY C . n C 3 43 LYS 43 41 41 LYS LYS C . n C 3 44 GLY 44 42 42 GLY GLY C . n C 3 45 LEU 45 43 43 LEU LEU C . n C 3 46 VAL 46 44 44 VAL VAL C . n C 3 47 SER 47 45 45 SER SER C . n C 3 48 LEU 48 46 46 LEU LEU C . n C 3 49 THR 49 47 47 THR THR C . n C 3 50 VAL 50 48 48 VAL VAL C . n C 3 51 LEU 51 49 49 LEU LEU C . n C 3 52 VAL 52 50 50 VAL VAL C . n C 3 53 ASP 53 51 51 ASP ASP C . n C 3 54 GLN 54 52 52 GLN GLN C . n C 3 55 LYS 55 53 53 LYS LYS C . n C 3 56 ASP 56 54 54 ASP ASP C . n C 3 57 LYS 57 55 55 LYS LYS C . n C 3 58 THR 58 56 56 THR THR C . n C 3 59 SER 59 57 57 SER SER C . n C 3 60 ASN 60 58 58 ASN ASN C . n C 3 61 GLY 61 59 59 GLY GLY C . n C 3 62 ARG 62 60 60 ARG ARG C . n C 3 63 TYR 63 62 62 TYR TYR C . n C 3 64 SER 64 63 63 SER SER C . n C 3 65 ALA 65 64 64 ALA ALA C . n C 3 66 THR 66 65 65 THR THR C . n C 3 67 LEU 67 66 66 LEU LEU C . n C 3 68 ASP 68 67 67 ASP ASP C . n C 3 69 LYS 69 68 68 LYS LYS C . n C 3 70 ASP 70 69 69 ASP ASP C . n C 3 71 ALA 71 70 70 ALA ALA C . n C 3 72 LYS 72 71 71 LYS LYS C . n C 3 73 HIS 73 72 72 HIS HIS C . n C 3 74 SER 74 73 73 SER SER C . n C 3 75 THR 75 74 74 THR THR C . n C 3 76 LEU 76 75 75 LEU LEU C . n C 3 77 HIS 77 76 76 HIS HIS C . n C 3 78 ILE 78 77 77 ILE ILE C . n C 3 79 THR 79 78 78 THR THR C . n C 3 80 ALA 80 79 79 ALA ALA C . n C 3 81 THR 81 80 80 THR THR C . n C 3 82 LEU 82 81 81 LEU LEU C . n C 3 83 LEU 83 82 82 LEU LEU C . n C 3 84 ASP 84 83 83 ASP ASP C . n C 3 85 ASP 85 84 84 ASP ASP C . n C 3 86 THR 86 85 85 THR THR C . n C 3 87 ALA 87 86 86 ALA ALA C . n C 3 88 THR 88 87 87 THR THR C . n C 3 89 TYR 89 88 88 TYR TYR C . n C 3 90 ILE 90 89 89 ILE ILE C . n C 3 91 CYS 91 90 90 CYS CYS C . n C 3 92 VAL 92 91 91 VAL VAL C . n C 3 93 VAL 93 92 92 VAL VAL C . n C 3 94 GLY 94 93 93 GLY GLY C . n C 3 95 ASP 95 94 94 ASP ASP C . n C 3 96 ARG 96 95 95 ARG ARG C . n C 3 97 GLY 97 96 96 GLY GLY C . n C 3 98 SER 98 97 97 SER SER C . n C 3 99 ALA 99 98 98 ALA ALA C . n C 3 100 LEU 100 99 99 LEU LEU C . n C 3 101 GLY 101 100 100 GLY GLY C . n C 3 102 ARG 102 103 103 ARG ARG C . n C 3 103 LEU 103 104 104 LEU LEU C . n C 3 104 HIS 104 105 105 HIS HIS C . n C 3 105 PHE 105 106 106 PHE PHE C . n C 3 106 GLY 106 107 107 GLY GLY C . n C 3 107 ALA 107 108 108 ALA ALA C . n C 3 108 GLY 108 109 109 GLY GLY C . n C 3 109 THR 109 110 110 THR THR C . n C 3 110 GLN 110 111 111 GLN GLN C . n C 3 111 LEU 111 112 112 LEU LEU C . n C 3 112 ILE 112 113 113 ILE ILE C . n C 3 113 VAL 113 114 114 VAL VAL C . n C 3 114 ILE 114 115 115 ILE ILE C . n C 3 115 PRO 115 116 116 PRO PRO C . n C 3 116 ASP 116 117 117 ASP ASP C . n C 3 117 ILE 117 118 118 ILE ILE C . n C 3 118 GLN 118 119 119 GLN GLN C . n C 3 119 ASN 119 120 120 ASN ASN C . n C 3 120 PRO 120 121 121 PRO PRO C . n C 3 121 ASP 121 122 122 ASP ASP C . n C 3 122 PRO 122 123 123 PRO PRO C . n C 3 123 ALA 123 124 124 ALA ALA C . n C 3 124 VAL 124 125 125 VAL VAL C . n C 3 125 TYR 125 126 126 TYR TYR C . n C 3 126 GLN 126 127 127 GLN GLN C . n C 3 127 LEU 127 128 128 LEU LEU C . n C 3 128 ARG 128 129 129 ARG ARG C . n C 3 129 ASP 129 130 130 ASP ASP C . n C 3 130 SER 130 131 131 SER SER C . n C 3 131 LYS 131 132 132 LYS LYS C . n C 3 132 SER 132 133 133 SER SER C . n C 3 133 SER 133 134 134 SER SER C . n C 3 134 ASP 134 135 135 ASP ASP C . n C 3 135 LYS 135 136 136 LYS LYS C . n C 3 136 SER 136 137 137 SER SER C . n C 3 137 VAL 137 138 138 VAL VAL C . n C 3 138 CYS 138 139 139 CYS CYS C . n C 3 139 LEU 139 140 140 LEU LEU C . n C 3 140 PHE 140 141 141 PHE PHE C . n C 3 141 THR 141 142 142 THR THR C . n C 3 142 ASP 142 143 143 ASP ASP C . n C 3 143 PHE 143 144 144 PHE PHE C . n C 3 144 ASP 144 145 145 ASP ASP C . n C 3 145 SER 145 146 146 SER SER C . n C 3 146 GLN 146 147 147 GLN GLN C . n C 3 147 THR 147 148 148 THR THR C . n C 3 148 ASN 148 149 149 ASN ASN C . n C 3 149 VAL 149 150 150 VAL VAL C . n C 3 150 SER 150 151 151 SER SER C . n C 3 151 GLN 151 152 ? ? ? C . n C 3 152 SER 152 153 ? ? ? C . n C 3 153 LYS 153 154 ? ? ? C . n C 3 154 ASP 154 155 155 ASP ASP C . n C 3 155 SER 155 156 156 SER SER C . n C 3 156 ASP 156 157 157 ASP ASP C . n C 3 157 VAL 157 158 158 VAL VAL C . n C 3 158 TYR 158 159 159 TYR TYR C . n C 3 159 ILE 159 160 160 ILE ILE C . n C 3 160 THR 160 161 161 THR THR C . n C 3 161 ASP 161 162 162 ASP ASP C . n C 3 162 LYS 162 163 163 LYS LYS C . n C 3 163 CYS 163 164 164 CYS CYS C . n C 3 164 VAL 164 165 165 VAL VAL C . n C 3 165 LEU 165 166 166 LEU LEU C . n C 3 166 ASP 166 167 167 ASP ASP C . n C 3 167 MET 167 168 168 MET MET C . n C 3 168 ARG 168 169 169 ARG ARG C . n C 3 169 SER 169 170 170 SER SER C . n C 3 170 MET 170 171 171 MET MET C . n C 3 171 ASP 171 172 172 ASP ASP C . n C 3 172 PHE 172 173 173 PHE PHE C . n C 3 173 LYS 173 174 174 LYS LYS C . n C 3 174 SER 174 175 175 SER SER C . n C 3 175 ASN 175 176 176 ASN ASN C . n C 3 176 SER 176 177 177 SER SER C . n C 3 177 ALA 177 178 178 ALA ALA C . n C 3 178 VAL 178 179 179 VAL VAL C . n C 3 179 ALA 179 180 180 ALA ALA C . n C 3 180 TRP 180 181 181 TRP TRP C . n C 3 181 SER 181 182 182 SER SER C . n C 3 182 ASN 182 183 183 ASN ASN C . n C 3 183 LYS 183 184 184 LYS LYS C . n C 3 184 SER 184 185 185 SER SER C . n C 3 185 ASP 185 186 186 ASP ASP C . n C 3 186 PHE 186 187 187 PHE PHE C . n C 3 187 ALA 187 188 188 ALA ALA C . n C 3 188 CYS 188 189 189 CYS CYS C . n C 3 189 ALA 189 190 190 ALA ALA C . n C 3 190 ASN 190 191 191 ASN ASN C . n C 3 191 ALA 191 192 192 ALA ALA C . n C 3 192 PHE 192 193 193 PHE PHE C . n C 3 193 ASN 193 194 194 ASN ASN C . n C 3 194 ASN 194 195 195 ASN ASN C . n C 3 195 SER 195 196 196 SER SER C . n C 3 196 ILE 196 197 197 ILE ILE C . n C 3 197 ILE 197 198 198 ILE ILE C . n C 3 198 PRO 198 199 199 PRO PRO C . n C 3 199 GLU 199 200 200 GLU GLU C . n C 3 200 ASP 200 201 201 ASP ASP C . n C 3 201 THR 201 202 202 THR THR C . n C 3 202 PHE 202 203 203 PHE PHE C . n C 3 203 PHE 203 204 204 PHE PHE C . n C 3 204 PRO 204 205 205 PRO PRO C . n C 3 205 SER 205 206 206 SER SER C . n C 3 206 PRO 206 207 ? ? ? C . n C 3 207 GLU 207 208 ? ? ? C . n C 3 208 SER 208 209 ? ? ? C . n C 3 209 SER 209 210 ? ? ? C . n D 4 1 MET 1 0 ? ? ? D . n D 4 2 GLU 2 1 ? ? ? D . n D 4 3 ALA 3 2 2 ALA ALA D . n D 4 4 ALA 4 3 3 ALA ALA D . n D 4 5 VAL 5 4 4 VAL VAL D . n D 4 6 THR 6 5 5 THR THR D . n D 4 7 GLN 7 6 6 GLN GLN D . n D 4 8 SER 8 7 7 SER SER D . n D 4 9 PRO 9 8 8 PRO PRO D . n D 4 10 ARG 10 9 9 ARG ARG D . n D 4 11 ASN 11 10 10 ASN ASN D . n D 4 12 LYS 12 11 11 LYS LYS D . n D 4 13 VAL 13 12 12 VAL VAL D . n D 4 14 ALA 14 13 13 ALA ALA D . n D 4 15 VAL 15 14 14 VAL VAL D . n D 4 16 THR 16 15 15 THR THR D . n D 4 17 GLY 17 16 16 GLY GLY D . n D 4 18 GLY 18 17 17 GLY GLY D . n D 4 19 LYS 19 18 18 LYS LYS D . n D 4 20 VAL 20 19 19 VAL VAL D . n D 4 21 THR 21 20 20 THR THR D . n D 4 22 LEU 22 21 21 LEU LEU D . n D 4 23 SER 23 22 22 SER SER D . n D 4 24 CYS 24 23 23 CYS CYS D . n D 4 25 ASN 25 24 24 ASN ASN D . n D 4 26 GLN 26 25 25 GLN GLN D . n D 4 27 THR 27 26 26 THR THR D . n D 4 28 ASN 28 27 27 ASN ASN D . n D 4 29 ASN 29 28 28 ASN ASN D . n D 4 30 HIS 30 29 29 HIS HIS D . n D 4 31 ASN 31 30 30 ASN ASN D . n D 4 32 ASN 32 31 31 ASN ASN D . n D 4 33 MET 33 32 32 MET MET D . n D 4 34 TYR 34 33 33 TYR TYR D . n D 4 35 TRP 35 34 34 TRP TRP D . n D 4 36 TYR 36 35 35 TYR TYR D . n D 4 37 ARG 37 36 36 ARG ARG D . n D 4 38 GLN 38 37 37 GLN GLN D . n D 4 39 ASP 39 38 38 ASP ASP D . n D 4 40 THR 40 39 39 THR THR D . n D 4 41 GLY 41 40 40 GLY GLY D . n D 4 42 HIS 42 41 41 HIS HIS D . n D 4 43 GLY 43 42 42 GLY GLY D . n D 4 44 LEU 44 43 43 LEU LEU D . n D 4 45 ARG 45 44 44 ARG ARG D . n D 4 46 LEU 46 45 45 LEU LEU D . n D 4 47 ILE 47 46 46 ILE ILE D . n D 4 48 HIS 48 47 47 HIS HIS D . n D 4 49 TYR 49 48 48 TYR TYR D . n D 4 50 SER 50 49 49 SER SER D . n D 4 51 TYR 51 50 50 TYR TYR D . n D 4 52 GLY 52 51 51 GLY GLY D . n D 4 53 ALA 53 52 52 ALA ALA D . n D 4 54 GLY 54 53 53 GLY GLY D . n D 4 55 SER 55 54 54 SER SER D . n D 4 56 THR 56 55 55 THR THR D . n D 4 57 GLU 57 56 56 GLU GLU D . n D 4 58 LYS 58 57 57 LYS LYS D . n D 4 59 GLY 59 58 58 GLY GLY D . n D 4 60 ASP 60 59 59 ASP ASP D . n D 4 61 ILE 61 60 60 ILE ILE D . n D 4 62 PRO 62 61 61 PRO PRO D . n D 4 63 ASP 63 62 62 ASP ASP D . n D 4 64 GLY 64 63 63 GLY GLY D . n D 4 65 TYR 65 64 64 TYR TYR D . n D 4 66 LYS 66 65 65 LYS LYS D . n D 4 67 ALA 67 66 66 ALA ALA D . n D 4 68 SER 68 67 67 SER SER D . n D 4 69 ARG 69 68 68 ARG ARG D . n D 4 70 PRO 70 69 69 PRO PRO D . n D 4 71 SER 71 70 70 SER SER D . n D 4 72 GLN 72 71 71 GLN GLN D . n D 4 73 GLU 73 72 72 GLU GLU D . n D 4 74 ASN 74 73 73 ASN ASN D . n D 4 75 PHE 75 74 74 PHE PHE D . n D 4 76 SER 76 75 75 SER SER D . n D 4 77 LEU 77 76 76 LEU LEU D . n D 4 78 ILE 78 77 77 ILE ILE D . n D 4 79 LEU 79 78 78 LEU LEU D . n D 4 80 GLU 80 79 79 GLU GLU D . n D 4 81 LEU 81 80 80 LEU LEU D . n D 4 82 ALA 82 81 81 ALA ALA D . n D 4 83 THR 83 82 82 THR THR D . n D 4 84 PRO 84 83 83 PRO PRO D . n D 4 85 SER 85 84 84 SER SER D . n D 4 86 GLN 86 85 85 GLN GLN D . n D 4 87 THR 87 86 86 THR THR D . n D 4 88 SER 88 87 87 SER SER D . n D 4 89 VAL 89 88 88 VAL VAL D . n D 4 90 TYR 90 89 89 TYR TYR D . n D 4 91 PHE 91 90 90 PHE PHE D . n D 4 92 CYS 92 91 91 CYS CYS D . n D 4 93 ALA 93 92 92 ALA ALA D . n D 4 94 SER 94 93 93 SER SER D . n D 4 95 GLY 95 94 94 GLY GLY D . n D 4 96 ASP 96 95 95 ASP ASP D . n D 4 97 GLU 97 96 96 GLU GLU D . n D 4 98 GLY 98 97 97 GLY GLY D . n D 4 99 TYR 99 98 98 TYR TYR D . n D 4 100 THR 100 99 99 THR THR D . n D 4 101 GLN 101 100 100 GLN GLN D . n D 4 102 TYR 102 101 101 TYR TYR D . n D 4 103 PHE 103 102 102 PHE PHE D . n D 4 104 GLY 104 103 103 GLY GLY D . n D 4 105 PRO 105 104 104 PRO PRO D . n D 4 106 GLY 106 105 105 GLY GLY D . n D 4 107 THR 107 106 106 THR THR D . n D 4 108 ARG 108 107 107 ARG ARG D . n D 4 109 LEU 109 108 108 LEU LEU D . n D 4 110 LEU 110 109 109 LEU LEU D . n D 4 111 VAL 111 110 110 VAL VAL D . n D 4 112 LEU 112 111 111 LEU LEU D . n D 4 113 GLU 113 112 112 GLU GLU D . n D 4 114 ASP 114 113 113 ASP ASP D . n D 4 115 LEU 115 114 114 LEU LEU D . n D 4 116 ARG 116 115 115 ARG ARG D . n D 4 117 ASN 117 116 116 ASN ASN D . n D 4 118 VAL 118 117 117 VAL VAL D . n D 4 119 THR 119 118 118 THR THR D . n D 4 120 PRO 120 119 119 PRO PRO D . n D 4 121 PRO 121 120 120 PRO PRO D . n D 4 122 LYS 122 121 121 LYS LYS D . n D 4 123 VAL 123 122 122 VAL VAL D . n D 4 124 SER 124 123 123 SER SER D . n D 4 125 LEU 125 124 124 LEU LEU D . n D 4 126 PHE 126 125 125 PHE PHE D . n D 4 127 GLU 127 126 126 GLU GLU D . n D 4 128 PRO 128 127 127 PRO PRO D . n D 4 129 SER 129 128 128 SER SER D . n D 4 130 LYS 130 129 129 LYS LYS D . n D 4 131 ALA 131 130 130 ALA ALA D . n D 4 132 GLU 132 131 131 GLU GLU D . n D 4 133 ILE 133 132 132 ILE ILE D . n D 4 134 SER 134 133 133 SER SER D . n D 4 135 HIS 135 134 134 HIS HIS D . n D 4 136 THR 136 135 135 THR THR D . n D 4 137 GLN 137 136 136 GLN GLN D . n D 4 138 LYS 138 137 137 LYS LYS D . n D 4 139 ALA 139 138 138 ALA ALA D . n D 4 140 THR 140 139 139 THR THR D . n D 4 141 LEU 141 140 140 LEU LEU D . n D 4 142 VAL 142 141 141 VAL VAL D . n D 4 143 CYS 143 142 142 CYS CYS D . n D 4 144 LEU 144 143 143 LEU LEU D . n D 4 145 ALA 145 144 144 ALA ALA D . n D 4 146 THR 146 145 145 THR THR D . n D 4 147 GLY 147 146 146 GLY GLY D . n D 4 148 PHE 148 147 147 PHE PHE D . n D 4 149 TYR 149 148 148 TYR TYR D . n D 4 150 PRO 150 149 149 PRO PRO D . n D 4 151 ASP 151 150 150 ASP ASP D . n D 4 152 HIS 152 151 151 HIS HIS D . n D 4 153 VAL 153 152 152 VAL VAL D . n D 4 154 GLU 154 153 153 GLU GLU D . n D 4 155 LEU 155 154 154 LEU LEU D . n D 4 156 SER 156 155 155 SER SER D . n D 4 157 TRP 157 156 156 TRP TRP D . n D 4 158 TRP 158 157 157 TRP TRP D . n D 4 159 VAL 159 158 158 VAL VAL D . n D 4 160 ASN 160 159 159 ASN ASN D . n D 4 161 GLY 161 160 160 GLY GLY D . n D 4 162 LYS 162 161 161 LYS LYS D . n D 4 163 GLU 163 162 162 GLU GLU D . n D 4 164 VAL 164 163 163 VAL VAL D . n D 4 165 HIS 165 164 164 HIS HIS D . n D 4 166 SER 166 165 165 SER SER D . n D 4 167 GLY 167 166 166 GLY GLY D . n D 4 168 VAL 168 167 167 VAL VAL D . n D 4 169 CYS 169 168 168 CYS CYS D . n D 4 170 THR 170 169 169 THR THR D . n D 4 171 ASP 171 170 170 ASP ASP D . n D 4 172 PRO 172 171 171 PRO PRO D . n D 4 173 GLN 173 172 172 GLN GLN D . n D 4 174 PRO 174 173 173 PRO PRO D . n D 4 175 LEU 175 174 174 LEU LEU D . n D 4 176 LYS 176 175 175 LYS LYS D . n D 4 177 GLU 177 176 176 GLU GLU D . n D 4 178 GLN 178 177 177 GLN GLN D . n D 4 179 PRO 179 178 178 PRO PRO D . n D 4 180 ALA 180 179 179 ALA ALA D . n D 4 181 LEU 181 180 180 LEU LEU D . n D 4 182 ASN 182 181 181 ASN ASN D . n D 4 183 ASP 183 182 182 ASP ASP D . n D 4 184 SER 184 183 183 SER SER D . n D 4 185 ARG 185 184 184 ARG ARG D . n D 4 186 TYR 186 185 185 TYR TYR D . n D 4 187 SER 187 186 186 SER SER D . n D 4 188 LEU 188 187 187 LEU LEU D . n D 4 189 SER 189 188 188 SER SER D . n D 4 190 SER 190 189 189 SER SER D . n D 4 191 ARG 191 190 190 ARG ARG D . n D 4 192 LEU 192 191 191 LEU LEU D . n D 4 193 ARG 193 192 192 ARG ARG D . n D 4 194 VAL 194 193 193 VAL VAL D . n D 4 195 SER 195 194 194 SER SER D . n D 4 196 ALA 196 195 195 ALA ALA D . n D 4 197 THR 197 196 196 THR THR D . n D 4 198 PHE 198 197 197 PHE PHE D . n D 4 199 TRP 199 198 198 TRP TRP D . n D 4 200 GLN 200 199 199 GLN GLN D . n D 4 201 ASN 201 200 200 ASN ASN D . n D 4 202 PRO 202 201 201 PRO PRO D . n D 4 203 ARG 203 202 202 ARG ARG D . n D 4 204 ASN 204 203 203 ASN ASN D . n D 4 205 HIS 205 204 204 HIS HIS D . n D 4 206 PHE 206 205 205 PHE PHE D . n D 4 207 ARG 207 206 206 ARG ARG D . n D 4 208 CYS 208 207 207 CYS CYS D . n D 4 209 GLN 209 208 208 GLN GLN D . n D 4 210 VAL 210 209 209 VAL VAL D . n D 4 211 GLN 211 210 210 GLN GLN D . n D 4 212 PHE 212 211 211 PHE PHE D . n D 4 213 TYR 213 212 212 TYR TYR D . n D 4 214 GLY 214 213 213 GLY GLY D . n D 4 215 LEU 215 214 214 LEU LEU D . n D 4 216 SER 216 215 215 SER SER D . n D 4 217 GLU 217 216 216 GLU GLU D . n D 4 218 ASN 218 217 217 ASN ASN D . n D 4 219 ASP 219 218 218 ASP ASP D . n D 4 220 GLU 220 219 219 GLU GLU D . n D 4 221 TRP 221 220 220 TRP TRP D . n D 4 222 THR 222 221 221 THR THR D . n D 4 223 GLN 223 222 222 GLN GLN D . n D 4 224 ASP 224 223 223 ASP ASP D . n D 4 225 ARG 225 224 224 ARG ARG D . n D 4 226 ALA 226 225 225 ALA ALA D . n D 4 227 LYS 227 226 226 LYS LYS D . n D 4 228 PRO 228 227 227 PRO PRO D . n D 4 229 VAL 229 228 228 VAL VAL D . n D 4 230 THR 230 229 229 THR THR D . n D 4 231 GLN 231 230 230 GLN GLN D . n D 4 232 ILE 232 231 231 ILE ILE D . n D 4 233 VAL 233 232 232 VAL VAL D . n D 4 234 SER 234 233 233 SER SER D . n D 4 235 ALA 235 234 234 ALA ALA D . n D 4 236 GLU 236 235 235 GLU GLU D . n D 4 237 ALA 237 236 236 ALA ALA D . n D 4 238 TRP 238 237 237 TRP TRP D . n D 4 239 GLY 239 238 238 GLY GLY D . n D 4 240 ARG 240 239 239 ARG ARG D . n D 4 241 ALA 241 240 240 ALA ALA D . n E 1 1 SER 1 1 ? ? ? E . n E 1 2 GLU 2 2 ? ? ? E . n E 1 3 ALA 3 3 ? ? ? E . n E 1 4 GLN 4 4 ? ? ? E . n E 1 5 GLN 5 5 ? ? ? E . n E 1 6 LYS 6 6 ? ? ? E . n E 1 7 ASN 7 7 7 ASN ASN E . n E 1 8 TYR 8 8 8 TYR TYR E . n E 1 9 THR 9 9 9 THR THR E . n E 1 10 PHE 10 10 10 PHE PHE E . n E 1 11 ARG 11 11 11 ARG ARG E . n E 1 12 CYS 12 12 12 CYS CYS E . n E 1 13 LEU 13 13 13 LEU LEU E . n E 1 14 GLN 14 14 14 GLN GLN E . n E 1 15 MET 15 15 15 MET MET E . n E 1 16 SER 16 16 16 SER SER E . n E 1 17 SER 17 17 17 SER SER E . n E 1 18 PHE 18 18 18 PHE PHE E . n E 1 19 ALA 19 19 19 ALA ALA E . n E 1 20 ASN 20 20 20 ASN ASN E . n E 1 21 ARG 21 21 21 ARG ARG E . n E 1 22 SER 22 22 22 SER SER E . n E 1 23 TRP 23 23 23 TRP TRP E . n E 1 24 SER 24 24 24 SER SER E . n E 1 25 ARG 25 25 25 ARG ARG E . n E 1 26 THR 26 26 26 THR THR E . n E 1 27 ASP 27 27 27 ASP ASP E . n E 1 28 SER 28 28 28 SER SER E . n E 1 29 VAL 29 29 29 VAL VAL E . n E 1 30 VAL 30 30 30 VAL VAL E . n E 1 31 TRP 31 31 31 TRP TRP E . n E 1 32 LEU 32 32 32 LEU LEU E . n E 1 33 GLY 33 33 33 GLY GLY E . n E 1 34 ASP 34 34 34 ASP ASP E . n E 1 35 LEU 35 35 35 LEU LEU E . n E 1 36 GLN 36 36 36 GLN GLN E . n E 1 37 THR 37 37 37 THR THR E . n E 1 38 HIS 38 38 38 HIS HIS E . n E 1 39 ARG 39 39 39 ARG ARG E . n E 1 40 TRP 40 40 40 TRP TRP E . n E 1 41 SER 41 41 41 SER SER E . n E 1 42 ASN 42 42 42 ASN ASN E . n E 1 43 ASP 43 43 43 ASP ASP E . n E 1 44 SER 44 44 44 SER SER E . n E 1 45 ALA 45 45 45 ALA ALA E . n E 1 46 THR 46 46 46 THR THR E . n E 1 47 ILE 47 47 47 ILE ILE E . n E 1 48 SER 48 48 48 SER SER E . n E 1 49 PHE 49 49 49 PHE PHE E . n E 1 50 THR 50 50 50 THR THR E . n E 1 51 LYS 51 51 51 LYS LYS E . n E 1 52 PRO 52 52 52 PRO PRO E . n E 1 53 TRP 53 53 53 TRP TRP E . n E 1 54 SER 54 54 54 SER SER E . n E 1 55 GLN 55 55 55 GLN GLN E . n E 1 56 GLY 56 56 56 GLY GLY E . n E 1 57 LYS 57 57 57 LYS LYS E . n E 1 58 LEU 58 58 58 LEU LEU E . n E 1 59 SER 59 59 59 SER SER E . n E 1 60 ASN 60 60 60 ASN ASN E . n E 1 61 GLN 61 61 61 GLN GLN E . n E 1 62 GLN 62 62 62 GLN GLN E . n E 1 63 TRP 63 63 63 TRP TRP E . n E 1 64 GLU 64 64 64 GLU GLU E . n E 1 65 LYS 65 65 65 LYS LYS E . n E 1 66 LEU 66 66 66 LEU LEU E . n E 1 67 GLN 67 67 67 GLN GLN E . n E 1 68 HIS 68 68 68 HIS HIS E . n E 1 69 MET 69 69 69 MET MET E . n E 1 70 PHE 70 70 70 PHE PHE E . n E 1 71 GLN 71 71 71 GLN GLN E . n E 1 72 VAL 72 72 72 VAL VAL E . n E 1 73 TYR 73 73 73 TYR TYR E . n E 1 74 ARG 74 74 74 ARG ARG E . n E 1 75 VAL 75 75 75 VAL VAL E . n E 1 76 SER 76 76 76 SER SER E . n E 1 77 PHE 77 77 77 PHE PHE E . n E 1 78 THR 78 78 78 THR THR E . n E 1 79 ARG 79 79 79 ARG ARG E . n E 1 80 ASP 80 80 80 ASP ASP E . n E 1 81 ILE 81 81 81 ILE ILE E . n E 1 82 GLN 82 82 82 GLN GLN E . n E 1 83 GLU 83 83 83 GLU GLU E . n E 1 84 LEU 84 84 84 LEU LEU E . n E 1 85 VAL 85 85 85 VAL VAL E . n E 1 86 LYS 86 86 86 LYS LYS E . n E 1 87 MET 87 87 87 MET MET E . n E 1 88 MET 88 88 88 MET MET E . n E 1 89 SER 89 89 89 SER SER E . n E 1 90 PRO 90 90 90 PRO PRO E . n E 1 91 LYS 91 91 91 LYS LYS E . n E 1 92 GLU 92 92 92 GLU GLU E . n E 1 93 ASP 93 93 93 ASP ASP E . n E 1 94 TYR 94 94 94 TYR TYR E . n E 1 95 PRO 95 95 95 PRO PRO E . n E 1 96 ILE 96 96 96 ILE ILE E . n E 1 97 GLU 97 97 97 GLU GLU E . n E 1 98 ILE 98 98 98 ILE ILE E . n E 1 99 GLN 99 99 99 GLN GLN E . n E 1 100 LEU 100 100 100 LEU LEU E . n E 1 101 SER 101 101 101 SER SER E . n E 1 102 ALA 102 102 102 ALA ALA E . n E 1 103 GLY 103 103 103 GLY GLY E . n E 1 104 CYS 104 104 104 CYS CYS E . n E 1 105 GLU 105 105 105 GLU GLU E . n E 1 106 MET 106 106 106 MET MET E . n E 1 107 TYR 107 107 ? ? ? E . n E 1 108 PRO 108 108 ? ? ? E . n E 1 109 GLY 109 109 ? ? ? E . n E 1 110 ASN 110 110 ? ? ? E . n E 1 111 ALA 111 111 111 ALA ALA E . n E 1 112 SER 112 112 112 SER SER E . n E 1 113 GLU 113 113 113 GLU GLU E . n E 1 114 SER 114 114 114 SER SER E . n E 1 115 PHE 115 115 115 PHE PHE E . n E 1 116 LEU 116 116 116 LEU LEU E . n E 1 117 HIS 117 117 117 HIS HIS E . n E 1 118 VAL 118 118 118 VAL VAL E . n E 1 119 ALA 119 119 119 ALA ALA E . n E 1 120 PHE 120 120 120 PHE PHE E . n E 1 121 GLN 121 121 121 GLN GLN E . n E 1 122 GLY 122 122 122 GLY GLY E . n E 1 123 LYS 123 123 123 LYS LYS E . n E 1 124 TYR 124 124 124 TYR TYR E . n E 1 125 VAL 125 125 125 VAL VAL E . n E 1 126 VAL 126 126 126 VAL VAL E . n E 1 127 ARG 127 127 127 ARG ARG E . n E 1 128 PHE 128 128 128 PHE PHE E . n E 1 129 TRP 129 129 129 TRP TRP E . n E 1 130 GLY 130 130 130 GLY GLY E . n E 1 131 THR 131 131 131 THR THR E . n E 1 132 SER 132 132 132 SER SER E . n E 1 133 TRP 133 133 133 TRP TRP E . n E 1 134 GLN 134 134 134 GLN GLN E . n E 1 135 THR 135 135 135 THR THR E . n E 1 136 VAL 136 136 136 VAL VAL E . n E 1 137 PRO 137 137 137 PRO PRO E . n E 1 138 GLY 138 138 138 GLY GLY E . n E 1 139 ALA 139 139 139 ALA ALA E . n E 1 140 PRO 140 140 140 PRO PRO E . n E 1 141 SER 141 141 141 SER SER E . n E 1 142 TRP 142 142 142 TRP TRP E . n E 1 143 LEU 143 143 143 LEU LEU E . n E 1 144 ASP 144 144 144 ASP ASP E . n E 1 145 LEU 145 145 145 LEU LEU E . n E 1 146 PRO 146 146 146 PRO PRO E . n E 1 147 ILE 147 147 147 ILE ILE E . n E 1 148 LYS 148 148 148 LYS LYS E . n E 1 149 VAL 149 149 149 VAL VAL E . n E 1 150 LEU 150 150 150 LEU LEU E . n E 1 151 ASN 151 151 151 ASN ASN E . n E 1 152 ALA 152 152 152 ALA ALA E . n E 1 153 ASP 153 153 153 ASP ASP E . n E 1 154 GLN 154 154 154 GLN GLN E . n E 1 155 GLY 155 155 155 GLY GLY E . n E 1 156 THR 156 156 156 THR THR E . n E 1 157 SER 157 157 157 SER SER E . n E 1 158 ALA 158 158 158 ALA ALA E . n E 1 159 THR 159 159 159 THR THR E . n E 1 160 VAL 160 160 160 VAL VAL E . n E 1 161 GLN 161 161 161 GLN GLN E . n E 1 162 MET 162 162 162 MET MET E . n E 1 163 LEU 163 163 163 LEU LEU E . n E 1 164 LEU 164 164 164 LEU LEU E . n E 1 165 ASN 165 165 165 ASN ASN E . n E 1 166 ASP 166 166 166 ASP ASP E . n E 1 167 THR 167 167 167 THR THR E . n E 1 168 CYS 168 168 168 CYS CYS E . n E 1 169 PRO 169 169 169 PRO PRO E . n E 1 170 LEU 170 170 170 LEU LEU E . n E 1 171 PHE 171 171 171 PHE PHE E . n E 1 172 VAL 172 172 172 VAL VAL E . n E 1 173 ARG 173 173 173 ARG ARG E . n E 1 174 GLY 174 174 174 GLY GLY E . n E 1 175 LEU 175 175 175 LEU LEU E . n E 1 176 LEU 176 176 176 LEU LEU E . n E 1 177 GLU 177 177 177 GLU GLU E . n E 1 178 ALA 178 178 178 ALA ALA E . n E 1 179 GLY 179 179 179 GLY GLY E . n E 1 180 LYS 180 180 180 LYS LYS E . n E 1 181 SER 181 181 181 SER SER E . n E 1 182 ASP 182 182 182 ASP ASP E . n E 1 183 LEU 183 183 183 LEU LEU E . n E 1 184 GLU 184 184 184 GLU GLU E . n E 1 185 LYS 185 185 185 LYS LYS E . n E 1 186 GLN 186 186 186 GLN GLN E . n E 1 187 GLU 187 187 187 GLU GLU E . n E 1 188 LYS 188 188 ? ? ? E . n E 1 189 PRO 189 189 ? ? ? E . n E 1 190 VAL 190 190 ? ? ? E . n E 1 191 ALA 191 191 ? ? ? E . n E 1 192 TRP 192 192 192 TRP TRP E . n E 1 193 LEU 193 193 193 LEU LEU E . n E 1 194 SER 194 194 194 SER SER E . n E 1 195 SER 195 195 195 SER SER E . n E 1 196 VAL 196 196 196 VAL VAL E . n E 1 197 PRO 197 197 197 PRO PRO E . n E 1 198 SER 198 198 ? ? ? E . n E 1 199 SER 199 199 ? ? ? E . n E 1 200 ALA 200 200 ? ? ? E . n E 1 201 HIS 201 201 ? ? ? E . n E 1 202 GLY 202 202 ? ? ? E . n E 1 203 HIS 203 203 ? ? ? E . n E 1 204 ARG 204 204 ? ? ? E . n E 1 205 GLN 205 205 ? ? ? E . n E 1 206 LEU 206 206 206 LEU LEU E . n E 1 207 VAL 207 207 207 VAL VAL E . n E 1 208 CYS 208 208 208 CYS CYS E . n E 1 209 HIS 209 209 209 HIS HIS E . n E 1 210 VAL 210 210 210 VAL VAL E . n E 1 211 SER 211 211 211 SER SER E . n E 1 212 GLY 212 212 212 GLY GLY E . n E 1 213 PHE 213 213 213 PHE PHE E . n E 1 214 TYR 214 214 214 TYR TYR E . n E 1 215 PRO 215 215 215 PRO PRO E . n E 1 216 LYS 216 216 216 LYS LYS E . n E 1 217 PRO 217 217 217 PRO PRO E . n E 1 218 VAL 218 218 218 VAL VAL E . n E 1 219 TRP 219 219 ? ? ? E . n E 1 220 VAL 220 220 ? ? ? E . n E 1 221 MET 221 221 ? ? ? E . n E 1 222 TRP 222 222 ? ? ? E . n E 1 223 MET 223 223 ? ? ? E . n E 1 224 ARG 224 224 ? ? ? E . n E 1 225 GLY 225 225 ? ? ? E . n E 1 226 ASP 226 226 ? ? ? E . n E 1 227 GLN 227 227 ? ? ? E . n E 1 228 GLU 228 228 ? ? ? E . n E 1 229 GLN 229 229 ? ? ? E . n E 1 230 GLN 230 230 ? ? ? E . n E 1 231 GLY 231 231 ? ? ? E . n E 1 232 THR 232 232 ? ? ? E . n E 1 233 HIS 233 233 ? ? ? E . n E 1 234 ARG 234 234 ? ? ? E . n E 1 235 GLY 235 235 ? ? ? E . n E 1 236 ASP 236 236 ? ? ? E . n E 1 237 PHE 237 237 237 PHE PHE E . n E 1 238 LEU 238 238 238 LEU LEU E . n E 1 239 PRO 239 239 239 PRO PRO E . n E 1 240 ASN 240 240 240 ASN ASN E . n E 1 241 ALA 241 241 241 ALA ALA E . n E 1 242 ASP 242 242 242 ASP ASP E . n E 1 243 GLU 243 243 243 GLU GLU E . n E 1 244 THR 244 244 244 THR THR E . n E 1 245 TRP 245 245 245 TRP TRP E . n E 1 246 TYR 246 246 246 TYR TYR E . n E 1 247 LEU 247 247 247 LEU LEU E . n E 1 248 GLN 248 248 248 GLN GLN E . n E 1 249 ALA 249 249 249 ALA ALA E . n E 1 250 THR 250 250 ? ? ? E . n E 1 251 LEU 251 251 ? ? ? E . n E 1 252 ASP 252 252 ? ? ? E . n E 1 253 VAL 253 253 ? ? ? E . n E 1 254 GLU 254 254 ? ? ? E . n E 1 255 ALA 255 255 ? ? ? E . n E 1 256 GLY 256 256 ? ? ? E . n E 1 257 GLU 257 257 ? ? ? E . n E 1 258 GLU 258 258 ? ? ? E . n E 1 259 ALA 259 259 ? ? ? E . n E 1 260 GLY 260 260 ? ? ? E . n E 1 261 LEU 261 261 ? ? ? E . n E 1 262 ALA 262 262 ? ? ? E . n E 1 263 CYS 263 263 ? ? ? E . n E 1 264 ARG 264 264 ? ? ? E . n E 1 265 VAL 265 265 ? ? ? E . n E 1 266 LYS 266 266 ? ? ? E . n E 1 267 HIS 267 267 ? ? ? E . n E 1 268 SER 268 268 ? ? ? E . n E 1 269 SER 269 269 ? ? ? E . n E 1 270 LEU 270 270 ? ? ? E . n E 1 271 GLY 271 271 ? ? ? E . n E 1 272 GLY 272 272 ? ? ? E . n E 1 273 GLN 273 273 ? ? ? E . n E 1 274 ASP 274 274 ? ? ? E . n E 1 275 ILE 275 275 ? ? ? E . n E 1 276 ILE 276 276 ? ? ? E . n E 1 277 LEU 277 277 ? ? ? E . n E 1 278 TYR 278 278 ? ? ? E . n E 1 279 TRP 279 279 ? ? ? E . n E 1 280 HIS 280 280 ? ? ? E . n E 1 281 HIS 281 281 ? ? ? E . n E 1 282 HIS 282 282 ? ? ? E . n E 1 283 HIS 283 283 ? ? ? E . n E 1 284 HIS 284 284 ? ? ? E . n E 1 285 HIS 285 285 ? ? ? E . n F 2 1 ILE 1 1 ? ? ? F . n F 2 2 GLN 2 2 2 GLN GLN F . n F 2 3 LYS 3 3 3 LYS LYS F . n F 2 4 THR 4 4 4 THR THR F . n F 2 5 PRO 5 5 5 PRO PRO F . n F 2 6 GLN 6 6 6 GLN GLN F . n F 2 7 ILE 7 7 7 ILE ILE F . n F 2 8 GLN 8 8 8 GLN GLN F . n F 2 9 VAL 9 9 9 VAL VAL F . n F 2 10 TYR 10 10 10 TYR TYR F . n F 2 11 SER 11 11 11 SER SER F . n F 2 12 ARG 12 12 12 ARG ARG F . n F 2 13 HIS 13 13 13 HIS HIS F . n F 2 14 PRO 14 14 14 PRO PRO F . n F 2 15 PRO 15 15 15 PRO PRO F . n F 2 16 GLU 16 16 16 GLU GLU F . n F 2 17 ASN 17 17 17 ASN ASN F . n F 2 18 GLY 18 18 18 GLY GLY F . n F 2 19 LYS 19 19 19 LYS LYS F . n F 2 20 PRO 20 20 20 PRO PRO F . n F 2 21 ASN 21 21 21 ASN ASN F . n F 2 22 ILE 22 22 22 ILE ILE F . n F 2 23 LEU 23 23 23 LEU LEU F . n F 2 24 ASN 24 24 24 ASN ASN F . n F 2 25 CYS 25 25 25 CYS CYS F . n F 2 26 TYR 26 26 26 TYR TYR F . n F 2 27 VAL 27 27 27 VAL VAL F . n F 2 28 THR 28 28 28 THR THR F . n F 2 29 GLN 29 29 29 GLN GLN F . n F 2 30 PHE 30 30 30 PHE PHE F . n F 2 31 HIS 31 31 31 HIS HIS F . n F 2 32 PRO 32 32 32 PRO PRO F . n F 2 33 PRO 33 33 33 PRO PRO F . n F 2 34 HIS 34 34 34 HIS HIS F . n F 2 35 ILE 35 35 35 ILE ILE F . n F 2 36 GLU 36 36 36 GLU GLU F . n F 2 37 ILE 37 37 37 ILE ILE F . n F 2 38 GLN 38 38 38 GLN GLN F . n F 2 39 MET 39 39 39 MET MET F . n F 2 40 LEU 40 40 40 LEU LEU F . n F 2 41 LYS 41 41 41 LYS LYS F . n F 2 42 ASN 42 42 42 ASN ASN F . n F 2 43 GLY 43 43 43 GLY GLY F . n F 2 44 LYS 44 44 44 LYS LYS F . n F 2 45 LYS 45 45 45 LYS LYS F . n F 2 46 ILE 46 46 46 ILE ILE F . n F 2 47 PRO 47 47 47 PRO PRO F . n F 2 48 LYS 48 48 48 LYS LYS F . n F 2 49 VAL 49 49 49 VAL VAL F . n F 2 50 GLU 50 50 50 GLU GLU F . n F 2 51 MET 51 51 51 MET MET F . n F 2 52 SER 52 52 52 SER SER F . n F 2 53 ASP 53 53 53 ASP ASP F . n F 2 54 MET 54 54 54 MET MET F . n F 2 55 SER 55 55 55 SER SER F . n F 2 56 PHE 56 56 56 PHE PHE F . n F 2 57 SER 57 57 57 SER SER F . n F 2 58 LYS 58 58 58 LYS LYS F . n F 2 59 ASP 59 59 59 ASP ASP F . n F 2 60 TRP 60 60 60 TRP TRP F . n F 2 61 SER 61 61 61 SER SER F . n F 2 62 PHE 62 62 62 PHE PHE F . n F 2 63 TYR 63 63 63 TYR TYR F . n F 2 64 ILE 64 64 64 ILE ILE F . n F 2 65 LEU 65 65 65 LEU LEU F . n F 2 66 ALA 66 66 66 ALA ALA F . n F 2 67 HIS 67 67 67 HIS HIS F . n F 2 68 THR 68 68 68 THR THR F . n F 2 69 GLU 69 69 69 GLU GLU F . n F 2 70 PHE 70 70 70 PHE PHE F . n F 2 71 THR 71 71 71 THR THR F . n F 2 72 PRO 72 72 72 PRO PRO F . n F 2 73 THR 73 73 73 THR THR F . n F 2 74 GLU 74 74 74 GLU GLU F . n F 2 75 THR 75 75 75 THR THR F . n F 2 76 ASP 76 76 76 ASP ASP F . n F 2 77 THR 77 77 77 THR THR F . n F 2 78 TYR 78 78 78 TYR TYR F . n F 2 79 ALA 79 79 79 ALA ALA F . n F 2 80 CYS 80 80 80 CYS CYS F . n F 2 81 ARG 81 81 81 ARG ARG F . n F 2 82 VAL 82 82 82 VAL VAL F . n F 2 83 LYS 83 83 83 LYS LYS F . n F 2 84 HIS 84 84 84 HIS HIS F . n F 2 85 ALA 85 85 85 ALA ALA F . n F 2 86 SER 86 86 86 SER SER F . n F 2 87 MET 87 87 87 MET MET F . n F 2 88 ALA 88 88 88 ALA ALA F . n F 2 89 GLU 89 89 89 GLU GLU F . n F 2 90 PRO 90 90 90 PRO PRO F . n F 2 91 LYS 91 91 91 LYS LYS F . n F 2 92 THR 92 92 92 THR THR F . n F 2 93 VAL 93 93 93 VAL VAL F . n F 2 94 TYR 94 94 94 TYR TYR F . n F 2 95 TRP 95 95 95 TRP TRP F . n F 2 96 ASP 96 96 96 ASP ASP F . n F 2 97 ARG 97 97 97 ARG ARG F . n F 2 98 ASP 98 98 98 ASP ASP F . n F 2 99 MET 99 99 ? ? ? F . n G 3 1 MET 1 -1 ? ? ? G . n G 3 2 LYS 2 0 ? ? ? G . n G 3 3 THR 3 1 1 THR THR G . n G 3 4 GLN 4 2 2 GLN GLN G . n G 3 5 VAL 5 3 3 VAL VAL G . n G 3 6 GLU 6 4 4 GLU GLU G . n G 3 7 GLN 7 5 5 GLN GLN G . n G 3 8 SER 8 6 6 SER SER G . n G 3 9 PRO 9 7 7 PRO PRO G . n G 3 10 GLN 10 8 8 GLN GLN G . n G 3 11 SER 11 9 9 SER SER G . n G 3 12 LEU 12 10 10 LEU LEU G . n G 3 13 VAL 13 11 11 VAL VAL G . n G 3 14 VAL 14 12 12 VAL VAL G . n G 3 15 ARG 15 13 13 ARG ARG G . n G 3 16 GLN 16 14 14 GLN GLN G . n G 3 17 GLY 17 15 15 GLY GLY G . n G 3 18 GLU 18 16 16 GLU GLU G . n G 3 19 ASN 19 17 17 ASN ASN G . n G 3 20 CYS 20 18 18 CYS CYS G . n G 3 21 VAL 21 19 19 VAL VAL G . n G 3 22 LEU 22 20 20 LEU LEU G . n G 3 23 GLN 23 21 21 GLN GLN G . n G 3 24 CYS 24 22 22 CYS CYS G . n G 3 25 ASN 25 23 23 ASN ASN G . n G 3 26 TYR 26 24 24 TYR TYR G . n G 3 27 SER 27 25 25 SER SER G . n G 3 28 VAL 28 26 26 VAL VAL G . n G 3 29 THR 29 27 27 THR THR G . n G 3 30 PRO 30 28 28 PRO PRO G . n G 3 31 ASP 31 29 29 ASP ASP G . n G 3 32 ASN 32 30 30 ASN ASN G . n G 3 33 HIS 33 31 31 HIS HIS G . n G 3 34 LEU 34 32 32 LEU LEU G . n G 3 35 ARG 35 33 33 ARG ARG G . n G 3 36 TRP 36 34 34 TRP TRP G . n G 3 37 PHE 37 35 35 PHE PHE G . n G 3 38 LYS 38 36 36 LYS LYS G . n G 3 39 GLN 39 37 37 GLN GLN G . n G 3 40 ASP 40 38 38 ASP ASP G . n G 3 41 THR 41 39 39 THR THR G . n G 3 42 GLY 42 40 40 GLY GLY G . n G 3 43 LYS 43 41 41 LYS LYS G . n G 3 44 GLY 44 42 42 GLY GLY G . n G 3 45 LEU 45 43 43 LEU LEU G . n G 3 46 VAL 46 44 44 VAL VAL G . n G 3 47 SER 47 45 45 SER SER G . n G 3 48 LEU 48 46 46 LEU LEU G . n G 3 49 THR 49 47 47 THR THR G . n G 3 50 VAL 50 48 48 VAL VAL G . n G 3 51 LEU 51 49 49 LEU LEU G . n G 3 52 VAL 52 50 50 VAL VAL G . n G 3 53 ASP 53 51 51 ASP ASP G . n G 3 54 GLN 54 52 52 GLN GLN G . n G 3 55 LYS 55 53 53 LYS LYS G . n G 3 56 ASP 56 54 54 ASP ASP G . n G 3 57 LYS 57 55 55 LYS LYS G . n G 3 58 THR 58 56 56 THR THR G . n G 3 59 SER 59 57 57 SER SER G . n G 3 60 ASN 60 58 58 ASN ASN G . n G 3 61 GLY 61 59 59 GLY GLY G . n G 3 62 ARG 62 60 60 ARG ARG G . n G 3 63 TYR 63 62 62 TYR TYR G . n G 3 64 SER 64 63 63 SER SER G . n G 3 65 ALA 65 64 64 ALA ALA G . n G 3 66 THR 66 65 65 THR THR G . n G 3 67 LEU 67 66 66 LEU LEU G . n G 3 68 ASP 68 67 67 ASP ASP G . n G 3 69 LYS 69 68 68 LYS LYS G . n G 3 70 ASP 70 69 69 ASP ASP G . n G 3 71 ALA 71 70 70 ALA ALA G . n G 3 72 LYS 72 71 71 LYS LYS G . n G 3 73 HIS 73 72 72 HIS HIS G . n G 3 74 SER 74 73 73 SER SER G . n G 3 75 THR 75 74 74 THR THR G . n G 3 76 LEU 76 75 75 LEU LEU G . n G 3 77 HIS 77 76 76 HIS HIS G . n G 3 78 ILE 78 77 77 ILE ILE G . n G 3 79 THR 79 78 78 THR THR G . n G 3 80 ALA 80 79 79 ALA ALA G . n G 3 81 THR 81 80 80 THR THR G . n G 3 82 LEU 82 81 81 LEU LEU G . n G 3 83 LEU 83 82 82 LEU LEU G . n G 3 84 ASP 84 83 83 ASP ASP G . n G 3 85 ASP 85 84 84 ASP ASP G . n G 3 86 THR 86 85 85 THR THR G . n G 3 87 ALA 87 86 86 ALA ALA G . n G 3 88 THR 88 87 87 THR THR G . n G 3 89 TYR 89 88 88 TYR TYR G . n G 3 90 ILE 90 89 89 ILE ILE G . n G 3 91 CYS 91 90 90 CYS CYS G . n G 3 92 VAL 92 91 91 VAL VAL G . n G 3 93 VAL 93 92 92 VAL VAL G . n G 3 94 GLY 94 93 93 GLY GLY G . n G 3 95 ASP 95 94 94 ASP ASP G . n G 3 96 ARG 96 95 95 ARG ARG G . n G 3 97 GLY 97 96 96 GLY GLY G . n G 3 98 SER 98 97 97 SER SER G . n G 3 99 ALA 99 98 98 ALA ALA G . n G 3 100 LEU 100 99 99 LEU LEU G . n G 3 101 GLY 101 100 100 GLY GLY G . n G 3 102 ARG 102 103 103 ARG ARG G . n G 3 103 LEU 103 104 104 LEU LEU G . n G 3 104 HIS 104 105 105 HIS HIS G . n G 3 105 PHE 105 106 106 PHE PHE G . n G 3 106 GLY 106 107 107 GLY GLY G . n G 3 107 ALA 107 108 108 ALA ALA G . n G 3 108 GLY 108 109 109 GLY GLY G . n G 3 109 THR 109 110 110 THR THR G . n G 3 110 GLN 110 111 111 GLN GLN G . n G 3 111 LEU 111 112 112 LEU LEU G . n G 3 112 ILE 112 113 113 ILE ILE G . n G 3 113 VAL 113 114 114 VAL VAL G . n G 3 114 ILE 114 115 115 ILE ILE G . n G 3 115 PRO 115 116 116 PRO PRO G . n G 3 116 ASP 116 117 117 ASP ASP G . n G 3 117 ILE 117 118 118 ILE ILE G . n G 3 118 GLN 118 119 119 GLN GLN G . n G 3 119 ASN 119 120 120 ASN ASN G . n G 3 120 PRO 120 121 121 PRO PRO G . n G 3 121 ASP 121 122 122 ASP ASP G . n G 3 122 PRO 122 123 123 PRO PRO G . n G 3 123 ALA 123 124 124 ALA ALA G . n G 3 124 VAL 124 125 125 VAL VAL G . n G 3 125 TYR 125 126 126 TYR TYR G . n G 3 126 GLN 126 127 127 GLN GLN G . n G 3 127 LEU 127 128 128 LEU LEU G . n G 3 128 ARG 128 129 129 ARG ARG G . n G 3 129 ASP 129 130 130 ASP ASP G . n G 3 130 SER 130 131 131 SER SER G . n G 3 131 LYS 131 132 132 LYS LYS G . n G 3 132 SER 132 133 133 SER SER G . n G 3 133 SER 133 134 134 SER SER G . n G 3 134 ASP 134 135 135 ASP ASP G . n G 3 135 LYS 135 136 136 LYS LYS G . n G 3 136 SER 136 137 137 SER SER G . n G 3 137 VAL 137 138 138 VAL VAL G . n G 3 138 CYS 138 139 139 CYS CYS G . n G 3 139 LEU 139 140 140 LEU LEU G . n G 3 140 PHE 140 141 141 PHE PHE G . n G 3 141 THR 141 142 142 THR THR G . n G 3 142 ASP 142 143 143 ASP ASP G . n G 3 143 PHE 143 144 144 PHE PHE G . n G 3 144 ASP 144 145 145 ASP ASP G . n G 3 145 SER 145 146 146 SER SER G . n G 3 146 GLN 146 147 147 GLN GLN G . n G 3 147 THR 147 148 148 THR THR G . n G 3 148 ASN 148 149 149 ASN ASN G . n G 3 149 VAL 149 150 150 VAL VAL G . n G 3 150 SER 150 151 151 SER SER G . n G 3 151 GLN 151 152 152 GLN GLN G . n G 3 152 SER 152 153 153 SER SER G . n G 3 153 LYS 153 154 154 LYS LYS G . n G 3 154 ASP 154 155 155 ASP ASP G . n G 3 155 SER 155 156 156 SER SER G . n G 3 156 ASP 156 157 157 ASP ASP G . n G 3 157 VAL 157 158 158 VAL VAL G . n G 3 158 TYR 158 159 159 TYR TYR G . n G 3 159 ILE 159 160 160 ILE ILE G . n G 3 160 THR 160 161 161 THR THR G . n G 3 161 ASP 161 162 162 ASP ASP G . n G 3 162 LYS 162 163 163 LYS LYS G . n G 3 163 CYS 163 164 164 CYS CYS G . n G 3 164 VAL 164 165 165 VAL VAL G . n G 3 165 LEU 165 166 166 LEU LEU G . n G 3 166 ASP 166 167 167 ASP ASP G . n G 3 167 MET 167 168 168 MET MET G . n G 3 168 ARG 168 169 169 ARG ARG G . n G 3 169 SER 169 170 170 SER SER G . n G 3 170 MET 170 171 171 MET MET G . n G 3 171 ASP 171 172 172 ASP ASP G . n G 3 172 PHE 172 173 173 PHE PHE G . n G 3 173 LYS 173 174 174 LYS LYS G . n G 3 174 SER 174 175 175 SER SER G . n G 3 175 ASN 175 176 176 ASN ASN G . n G 3 176 SER 176 177 177 SER SER G . n G 3 177 ALA 177 178 178 ALA ALA G . n G 3 178 VAL 178 179 179 VAL VAL G . n G 3 179 ALA 179 180 180 ALA ALA G . n G 3 180 TRP 180 181 181 TRP TRP G . n G 3 181 SER 181 182 182 SER SER G . n G 3 182 ASN 182 183 183 ASN ASN G . n G 3 183 LYS 183 184 184 LYS LYS G . n G 3 184 SER 184 185 185 SER SER G . n G 3 185 ASP 185 186 186 ASP ASP G . n G 3 186 PHE 186 187 187 PHE PHE G . n G 3 187 ALA 187 188 188 ALA ALA G . n G 3 188 CYS 188 189 189 CYS CYS G . n G 3 189 ALA 189 190 190 ALA ALA G . n G 3 190 ASN 190 191 191 ASN ASN G . n G 3 191 ALA 191 192 192 ALA ALA G . n G 3 192 PHE 192 193 193 PHE PHE G . n G 3 193 ASN 193 194 194 ASN ASN G . n G 3 194 ASN 194 195 195 ASN ASN G . n G 3 195 SER 195 196 196 SER SER G . n G 3 196 ILE 196 197 197 ILE ILE G . n G 3 197 ILE 197 198 198 ILE ILE G . n G 3 198 PRO 198 199 199 PRO PRO G . n G 3 199 GLU 199 200 200 GLU GLU G . n G 3 200 ASP 200 201 201 ASP ASP G . n G 3 201 THR 201 202 202 THR THR G . n G 3 202 PHE 202 203 203 PHE PHE G . n G 3 203 PHE 203 204 204 PHE PHE G . n G 3 204 PRO 204 205 205 PRO PRO G . n G 3 205 SER 205 206 206 SER SER G . n G 3 206 PRO 206 207 ? ? ? G . n G 3 207 GLU 207 208 ? ? ? G . n G 3 208 SER 208 209 ? ? ? G . n G 3 209 SER 209 210 ? ? ? G . n H 4 1 MET 1 0 ? ? ? H . n H 4 2 GLU 2 1 1 GLU GLU H . n H 4 3 ALA 3 2 2 ALA ALA H . n H 4 4 ALA 4 3 3 ALA ALA H . n H 4 5 VAL 5 4 4 VAL VAL H . n H 4 6 THR 6 5 5 THR THR H . n H 4 7 GLN 7 6 6 GLN GLN H . n H 4 8 SER 8 7 7 SER SER H . n H 4 9 PRO 9 8 8 PRO PRO H . n H 4 10 ARG 10 9 9 ARG ARG H . n H 4 11 ASN 11 10 10 ASN ASN H . n H 4 12 LYS 12 11 11 LYS LYS H . n H 4 13 VAL 13 12 12 VAL VAL H . n H 4 14 ALA 14 13 13 ALA ALA H . n H 4 15 VAL 15 14 14 VAL VAL H . n H 4 16 THR 16 15 15 THR THR H . n H 4 17 GLY 17 16 16 GLY GLY H . n H 4 18 GLY 18 17 17 GLY GLY H . n H 4 19 LYS 19 18 18 LYS LYS H . n H 4 20 VAL 20 19 19 VAL VAL H . n H 4 21 THR 21 20 20 THR THR H . n H 4 22 LEU 22 21 21 LEU LEU H . n H 4 23 SER 23 22 22 SER SER H . n H 4 24 CYS 24 23 23 CYS CYS H . n H 4 25 ASN 25 24 24 ASN ASN H . n H 4 26 GLN 26 25 25 GLN GLN H . n H 4 27 THR 27 26 26 THR THR H . n H 4 28 ASN 28 27 27 ASN ASN H . n H 4 29 ASN 29 28 28 ASN ASN H . n H 4 30 HIS 30 29 29 HIS HIS H . n H 4 31 ASN 31 30 30 ASN ASN H . n H 4 32 ASN 32 31 31 ASN ASN H . n H 4 33 MET 33 32 32 MET MET H . n H 4 34 TYR 34 33 33 TYR TYR H . n H 4 35 TRP 35 34 34 TRP TRP H . n H 4 36 TYR 36 35 35 TYR TYR H . n H 4 37 ARG 37 36 36 ARG ARG H . n H 4 38 GLN 38 37 37 GLN GLN H . n H 4 39 ASP 39 38 38 ASP ASP H . n H 4 40 THR 40 39 39 THR THR H . n H 4 41 GLY 41 40 40 GLY GLY H . n H 4 42 HIS 42 41 41 HIS HIS H . n H 4 43 GLY 43 42 42 GLY GLY H . n H 4 44 LEU 44 43 43 LEU LEU H . n H 4 45 ARG 45 44 44 ARG ARG H . n H 4 46 LEU 46 45 45 LEU LEU H . n H 4 47 ILE 47 46 46 ILE ILE H . n H 4 48 HIS 48 47 47 HIS HIS H . n H 4 49 TYR 49 48 48 TYR TYR H . n H 4 50 SER 50 49 49 SER SER H . n H 4 51 TYR 51 50 50 TYR TYR H . n H 4 52 GLY 52 51 51 GLY GLY H . n H 4 53 ALA 53 52 52 ALA ALA H . n H 4 54 GLY 54 53 53 GLY GLY H . n H 4 55 SER 55 54 54 SER SER H . n H 4 56 THR 56 55 55 THR THR H . n H 4 57 GLU 57 56 56 GLU GLU H . n H 4 58 LYS 58 57 57 LYS LYS H . n H 4 59 GLY 59 58 58 GLY GLY H . n H 4 60 ASP 60 59 59 ASP ASP H . n H 4 61 ILE 61 60 60 ILE ILE H . n H 4 62 PRO 62 61 61 PRO PRO H . n H 4 63 ASP 63 62 62 ASP ASP H . n H 4 64 GLY 64 63 63 GLY GLY H . n H 4 65 TYR 65 64 64 TYR TYR H . n H 4 66 LYS 66 65 65 LYS LYS H . n H 4 67 ALA 67 66 66 ALA ALA H . n H 4 68 SER 68 67 67 SER SER H . n H 4 69 ARG 69 68 68 ARG ARG H . n H 4 70 PRO 70 69 69 PRO PRO H . n H 4 71 SER 71 70 70 SER SER H . n H 4 72 GLN 72 71 71 GLN GLN H . n H 4 73 GLU 73 72 72 GLU GLU H . n H 4 74 ASN 74 73 73 ASN ASN H . n H 4 75 PHE 75 74 74 PHE PHE H . n H 4 76 SER 76 75 75 SER SER H . n H 4 77 LEU 77 76 76 LEU LEU H . n H 4 78 ILE 78 77 77 ILE ILE H . n H 4 79 LEU 79 78 78 LEU LEU H . n H 4 80 GLU 80 79 79 GLU GLU H . n H 4 81 LEU 81 80 80 LEU LEU H . n H 4 82 ALA 82 81 81 ALA ALA H . n H 4 83 THR 83 82 82 THR THR H . n H 4 84 PRO 84 83 83 PRO PRO H . n H 4 85 SER 85 84 84 SER SER H . n H 4 86 GLN 86 85 85 GLN GLN H . n H 4 87 THR 87 86 86 THR THR H . n H 4 88 SER 88 87 87 SER SER H . n H 4 89 VAL 89 88 88 VAL VAL H . n H 4 90 TYR 90 89 89 TYR TYR H . n H 4 91 PHE 91 90 90 PHE PHE H . n H 4 92 CYS 92 91 91 CYS CYS H . n H 4 93 ALA 93 92 92 ALA ALA H . n H 4 94 SER 94 93 93 SER SER H . n H 4 95 GLY 95 94 94 GLY GLY H . n H 4 96 ASP 96 95 95 ASP ASP H . n H 4 97 GLU 97 96 96 GLU GLU H . n H 4 98 GLY 98 97 97 GLY GLY H . n H 4 99 TYR 99 98 98 TYR TYR H . n H 4 100 THR 100 99 99 THR THR H . n H 4 101 GLN 101 100 100 GLN GLN H . n H 4 102 TYR 102 101 101 TYR TYR H . n H 4 103 PHE 103 102 102 PHE PHE H . n H 4 104 GLY 104 103 103 GLY GLY H . n H 4 105 PRO 105 104 104 PRO PRO H . n H 4 106 GLY 106 105 105 GLY GLY H . n H 4 107 THR 107 106 106 THR THR H . n H 4 108 ARG 108 107 107 ARG ARG H . n H 4 109 LEU 109 108 108 LEU LEU H . n H 4 110 LEU 110 109 109 LEU LEU H . n H 4 111 VAL 111 110 110 VAL VAL H . n H 4 112 LEU 112 111 111 LEU LEU H . n H 4 113 GLU 113 112 112 GLU GLU H . n H 4 114 ASP 114 113 113 ASP ASP H . n H 4 115 LEU 115 114 114 LEU LEU H . n H 4 116 ARG 116 115 115 ARG ARG H . n H 4 117 ASN 117 116 116 ASN ASN H . n H 4 118 VAL 118 117 117 VAL VAL H . n H 4 119 THR 119 118 118 THR THR H . n H 4 120 PRO 120 119 119 PRO PRO H . n H 4 121 PRO 121 120 120 PRO PRO H . n H 4 122 LYS 122 121 121 LYS LYS H . n H 4 123 VAL 123 122 122 VAL VAL H . n H 4 124 SER 124 123 123 SER SER H . n H 4 125 LEU 125 124 124 LEU LEU H . n H 4 126 PHE 126 125 125 PHE PHE H . n H 4 127 GLU 127 126 126 GLU GLU H . n H 4 128 PRO 128 127 127 PRO PRO H . n H 4 129 SER 129 128 128 SER SER H . n H 4 130 LYS 130 129 129 LYS LYS H . n H 4 131 ALA 131 130 130 ALA ALA H . n H 4 132 GLU 132 131 131 GLU GLU H . n H 4 133 ILE 133 132 132 ILE ILE H . n H 4 134 SER 134 133 133 SER SER H . n H 4 135 HIS 135 134 134 HIS HIS H . n H 4 136 THR 136 135 135 THR THR H . n H 4 137 GLN 137 136 136 GLN GLN H . n H 4 138 LYS 138 137 137 LYS LYS H . n H 4 139 ALA 139 138 138 ALA ALA H . n H 4 140 THR 140 139 139 THR THR H . n H 4 141 LEU 141 140 140 LEU LEU H . n H 4 142 VAL 142 141 141 VAL VAL H . n H 4 143 CYS 143 142 142 CYS CYS H . n H 4 144 LEU 144 143 143 LEU LEU H . n H 4 145 ALA 145 144 144 ALA ALA H . n H 4 146 THR 146 145 145 THR THR H . n H 4 147 GLY 147 146 146 GLY GLY H . n H 4 148 PHE 148 147 147 PHE PHE H . n H 4 149 TYR 149 148 148 TYR TYR H . n H 4 150 PRO 150 149 149 PRO PRO H . n H 4 151 ASP 151 150 150 ASP ASP H . n H 4 152 HIS 152 151 151 HIS HIS H . n H 4 153 VAL 153 152 152 VAL VAL H . n H 4 154 GLU 154 153 153 GLU GLU H . n H 4 155 LEU 155 154 154 LEU LEU H . n H 4 156 SER 156 155 155 SER SER H . n H 4 157 TRP 157 156 156 TRP TRP H . n H 4 158 TRP 158 157 157 TRP TRP H . n H 4 159 VAL 159 158 158 VAL VAL H . n H 4 160 ASN 160 159 159 ASN ASN H . n H 4 161 GLY 161 160 160 GLY GLY H . n H 4 162 LYS 162 161 161 LYS LYS H . n H 4 163 GLU 163 162 162 GLU GLU H . n H 4 164 VAL 164 163 163 VAL VAL H . n H 4 165 HIS 165 164 164 HIS HIS H . n H 4 166 SER 166 165 165 SER SER H . n H 4 167 GLY 167 166 166 GLY GLY H . n H 4 168 VAL 168 167 167 VAL VAL H . n H 4 169 CYS 169 168 168 CYS CYS H . n H 4 170 THR 170 169 169 THR THR H . n H 4 171 ASP 171 170 170 ASP ASP H . n H 4 172 PRO 172 171 171 PRO PRO H . n H 4 173 GLN 173 172 172 GLN GLN H . n H 4 174 PRO 174 173 173 PRO PRO H . n H 4 175 LEU 175 174 174 LEU LEU H . n H 4 176 LYS 176 175 175 LYS LYS H . n H 4 177 GLU 177 176 176 GLU GLU H . n H 4 178 GLN 178 177 177 GLN GLN H . n H 4 179 PRO 179 178 178 PRO PRO H . n H 4 180 ALA 180 179 179 ALA ALA H . n H 4 181 LEU 181 180 180 LEU LEU H . n H 4 182 ASN 182 181 181 ASN ASN H . n H 4 183 ASP 183 182 182 ASP ASP H . n H 4 184 SER 184 183 183 SER SER H . n H 4 185 ARG 185 184 184 ARG ARG H . n H 4 186 TYR 186 185 185 TYR TYR H . n H 4 187 SER 187 186 186 SER SER H . n H 4 188 LEU 188 187 187 LEU LEU H . n H 4 189 SER 189 188 188 SER SER H . n H 4 190 SER 190 189 189 SER SER H . n H 4 191 ARG 191 190 190 ARG ARG H . n H 4 192 LEU 192 191 191 LEU LEU H . n H 4 193 ARG 193 192 192 ARG ARG H . n H 4 194 VAL 194 193 193 VAL VAL H . n H 4 195 SER 195 194 194 SER SER H . n H 4 196 ALA 196 195 195 ALA ALA H . n H 4 197 THR 197 196 196 THR THR H . n H 4 198 PHE 198 197 197 PHE PHE H . n H 4 199 TRP 199 198 198 TRP TRP H . n H 4 200 GLN 200 199 199 GLN GLN H . n H 4 201 ASN 201 200 200 ASN ASN H . n H 4 202 PRO 202 201 201 PRO PRO H . n H 4 203 ARG 203 202 202 ARG ARG H . n H 4 204 ASN 204 203 203 ASN ASN H . n H 4 205 HIS 205 204 204 HIS HIS H . n H 4 206 PHE 206 205 205 PHE PHE H . n H 4 207 ARG 207 206 206 ARG ARG H . n H 4 208 CYS 208 207 207 CYS CYS H . n H 4 209 GLN 209 208 208 GLN GLN H . n H 4 210 VAL 210 209 209 VAL VAL H . n H 4 211 GLN 211 210 210 GLN GLN H . n H 4 212 PHE 212 211 211 PHE PHE H . n H 4 213 TYR 213 212 212 TYR TYR H . n H 4 214 GLY 214 213 213 GLY GLY H . n H 4 215 LEU 215 214 214 LEU LEU H . n H 4 216 SER 216 215 215 SER SER H . n H 4 217 GLU 217 216 216 GLU GLU H . n H 4 218 ASN 218 217 217 ASN ASN H . n H 4 219 ASP 219 218 218 ASP ASP H . n H 4 220 GLU 220 219 219 GLU GLU H . n H 4 221 TRP 221 220 220 TRP TRP H . n H 4 222 THR 222 221 221 THR THR H . n H 4 223 GLN 223 222 222 GLN GLN H . n H 4 224 ASP 224 223 223 ASP ASP H . n H 4 225 ARG 225 224 224 ARG ARG H . n H 4 226 ALA 226 225 225 ALA ALA H . n H 4 227 LYS 227 226 226 LYS LYS H . n H 4 228 PRO 228 227 227 PRO PRO H . n H 4 229 VAL 229 228 228 VAL VAL H . n H 4 230 THR 230 229 229 THR THR H . n H 4 231 GLN 231 230 230 GLN GLN H . n H 4 232 ILE 232 231 231 ILE ILE H . n H 4 233 VAL 233 232 232 VAL VAL H . n H 4 234 SER 234 233 233 SER SER H . n H 4 235 ALA 235 234 234 ALA ALA H . n H 4 236 GLU 236 235 235 GLU GLU H . n H 4 237 ALA 237 236 236 ALA ALA H . n H 4 238 TRP 238 237 237 TRP TRP H . n H 4 239 GLY 239 238 238 GLY GLY H . n H 4 240 ARG 240 239 239 ARG ARG H . n H 4 241 ALA 241 240 240 ALA ALA H . n # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 E ASN 42 E ASN 42 ? ASN 'GLYCOSYLATION SITE' 2 E ASN 165 E ASN 165 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 42 A ASN 42 ? ASN 'GLYCOSYLATION SITE' 4 A ASN 165 A ASN 165 ? ASN 'GLYCOSYLATION SITE' 5 E ASN 20 E ASN 20 ? ASN 'GLYCOSYLATION SITE' 6 A ASN 20 A ASN 20 ? ASN 'GLYCOSYLATION SITE' # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_defined_assembly ? tetrameric 4 2 author_defined_assembly ? tetrameric 4 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,B,C,D,I,J,K,L,M,N,O,P,Y,Z,AA,BA 2 1 E,F,G,H,Q,R,S,T,U,V,W,X,CA,DA,EA,FA # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # _pdbx_audit_revision_history.ordinal 1 _pdbx_audit_revision_history.data_content_type 'Structure model' _pdbx_audit_revision_history.major_revision 1 _pdbx_audit_revision_history.minor_revision 0 _pdbx_audit_revision_history.revision_date 2012-02-01 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined 26.1843 -0.7986 28.5091 0.2900 0.2247 0.1982 -0.0300 0.0625 -0.0074 3.2017 3.9695 2.1541 -0.0807 -1.7866 0.5422 0.0908 -0.0869 0.2098 0.4292 0.0901 0.1016 -0.0781 0.0039 -0.1810 'X-RAY DIFFRACTION' 2 ? refined -2.9178 -2.3697 52.0236 0.6699 0.5955 0.4735 0.0343 0.3157 0.0877 8.4999 1.3003 6.9309 -0.5745 -3.0810 -1.2121 0.0095 -0.3992 -0.4453 0.5443 0.1742 0.5035 0.5291 -0.4457 -0.1837 'X-RAY DIFFRACTION' 3 ? refined -2.2390 2.5402 30.9044 0.3464 0.6337 0.5205 0.0112 0.1018 0.1340 6.8685 3.0846 3.0602 -2.5716 -0.8279 0.9827 -0.1436 0.4479 -0.2890 -0.0316 0.1297 0.7867 -0.1162 -0.7603 0.0139 'X-RAY DIFFRACTION' 4 ? refined 53.5883 7.0654 7.8702 0.1676 0.1077 0.1948 0.0072 -0.0270 -0.0097 5.9116 2.5963 3.2613 1.9670 -2.3885 -1.0373 0.0438 -0.2192 -0.0547 -0.0111 -0.1701 -0.3015 -0.1793 0.1448 0.1263 'X-RAY DIFFRACTION' 5 ? refined 40.0744 -6.7149 -5.2364 0.2623 0.2623 0.1815 -0.0223 -0.0073 -0.1068 3.0534 1.8064 8.2429 0.2227 -1.3913 -1.5899 -0.0646 0.5020 -0.2195 -0.4129 0.0267 -0.1248 0.5627 -0.4343 0.0380 'X-RAY DIFFRACTION' 6 ? refined 75.6698 8.7532 -21.2060 0.5610 0.2764 0.6581 -0.0288 0.2940 0.0313 5.5880 4.8999 7.1989 1.2126 2.2351 1.2929 -0.1570 0.1221 0.7732 -0.7784 0.0588 -0.4930 -1.0413 0.6957 0.0982 'X-RAY DIFFRACTION' 7 ? refined 65.1449 -4.7915 -22.4397 0.3600 0.2028 0.1482 0.0528 0.0672 -0.0006 6.1665 2.9367 3.5328 -0.1193 0.8731 0.5891 0.0952 0.3263 0.3027 -0.4730 -0.0176 -0.2218 -0.1912 -0.1264 -0.0776 'X-RAY DIFFRACTION' 8 ? refined 15.1402 38.1570 26.4650 0.1844 0.4690 0.5402 -0.0416 -0.0524 0.3322 7.5107 3.4153 2.6698 -1.0465 1.1363 -0.4287 -0.0371 -1.2808 -1.5322 0.2328 0.0732 0.1821 0.0812 0.0538 -0.0361 'X-RAY DIFFRACTION' 9 ? refined 41.8296 37.2561 43.8172 0.8218 2.8507 0.4847 0.4679 0.1334 0.6596 8.5384 9.1018 10.3339 4.8291 -2.3712 6.2808 -0.3005 -1.6123 1.0662 1.3999 0.9717 0.8879 1.1872 2.5074 -0.6712 'X-RAY DIFFRACTION' 10 ? refined 43.5350 36.3139 27.3941 0.2209 0.9183 0.5161 -0.0689 -0.0382 0.2290 17.9398 3.6598 2.8611 -6.7182 0.0674 -1.7637 -0.1517 -2.1291 -0.6247 -0.1285 0.4396 0.2089 0.1950 0.5117 -0.2879 'X-RAY DIFFRACTION' 11 ? refined -13.1718 29.6798 8.0090 0.1640 0.1061 0.2950 0.0099 -0.0303 0.0876 5.8451 2.8997 2.8386 2.3938 2.4555 1.0780 0.1473 -0.1641 -0.1124 -0.0171 -0.1309 -0.0279 0.1504 -0.0392 -0.0164 'X-RAY DIFFRACTION' 12 ? refined -0.5870 44.2568 -5.4213 0.2852 0.2021 0.2553 -0.0039 -0.0034 0.0825 3.1212 1.1950 7.3895 0.9003 0.6700 0.0043 -0.1128 0.4271 0.0126 -0.2202 0.1706 0.1113 -0.4545 0.0477 -0.0578 'X-RAY DIFFRACTION' 13 ? refined -35.9352 28.0631 -20.5839 0.4831 0.2834 0.5499 -0.0048 -0.1607 0.0366 6.5216 4.7613 8.6215 0.7381 -2.5147 -0.2300 -0.0291 0.3092 -0.6828 -0.8311 0.2042 0.2837 0.9917 -0.6698 -0.1751 'X-RAY DIFFRACTION' 14 ? refined -26.0741 42.0269 -22.0725 0.3856 0.2161 0.2244 0.0732 -0.0892 0.0369 6.7035 1.8979 4.0444 0.3414 -0.8282 -0.5264 0.0053 0.4276 -0.3922 -0.3221 -0.0068 -0.0244 0.1687 0.0492 0.0015 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.selection_details _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection 'X-RAY DIFFRACTION' 1 1 A 6 A 185 ? . . . . ? 'X-RAY DIFFRACTION' 2 1 A 508 A 513 ? . . . . ? 'X-RAY DIFFRACTION' 3 1 A 286 A 286 ? . . . . ? 'X-RAY DIFFRACTION' 4 2 A 186 A 279 ? . . . . ? 'X-RAY DIFFRACTION' 5 3 B 2 B 99 ? . . . . ? 'X-RAY DIFFRACTION' 6 4 C 1 C 114 ? . . . . ? 'X-RAY DIFFRACTION' 7 5 D 2 D 112 ? . . . . ? 'X-RAY DIFFRACTION' 8 6 C 115 C 206 ? . . . . ? 'X-RAY DIFFRACTION' 9 7 D 113 D 240 ? . . . . ? 'X-RAY DIFFRACTION' 10 8 E 7 E 185 ? . . . . ? 'X-RAY DIFFRACTION' 11 8 E 514 E 519 ? . . . . ? 'X-RAY DIFFRACTION' 12 8 E 286 E 286 ? . . . . ? 'X-RAY DIFFRACTION' 13 9 E 186 E 249 ? . . . . ? 'X-RAY DIFFRACTION' 14 10 F 2 F 98 ? . . . . ? 'X-RAY DIFFRACTION' 15 11 G 1 G 114 ? . . . . ? 'X-RAY DIFFRACTION' 16 12 H 1 H 112 ? . . . . ? 'X-RAY DIFFRACTION' 17 13 G 115 G 206 ? . . . . ? 'X-RAY DIFFRACTION' 18 14 H 113 H 240 ? . . . . ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal Blu-Ice 'data collection' . ? 1 MOLREP phasing . ? 2 REFMAC refinement 5.5.0102 ? 3 MOSFLM 'data reduction' . ? 4 SCALA 'data scaling' . ? 5 # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 N _pdbx_validate_close_contact.auth_asym_id_1 E _pdbx_validate_close_contact.auth_comp_id_1 SER _pdbx_validate_close_contact.auth_seq_id_1 195 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 O _pdbx_validate_close_contact.auth_asym_id_2 E _pdbx_validate_close_contact.auth_comp_id_2 HOH _pdbx_validate_close_contact.auth_seq_id_2 289 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 2.16 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 VAL A 125 ? ? -130.03 -33.35 2 1 ASN B 17 ? ? -56.92 107.52 3 1 VAL C 50 ? ? -131.28 -37.17 4 1 ALA C 79 ? ? 42.85 76.79 5 1 THR C 85 ? ? -54.15 104.68 6 1 ASP C 122 ? ? -150.22 67.97 7 1 ASP C 145 ? ? -88.90 -145.16 8 1 ASP C 201 ? ? -96.39 33.85 9 1 ASP D 95 ? ? -86.72 -149.02 10 1 ASP D 182 ? ? -101.49 51.25 11 1 ASN E 20 ? ? -164.47 -165.15 12 1 SER E 54 ? ? -68.03 25.82 13 1 SER E 54 ? ? -68.03 25.74 14 1 LYS E 57 ? ? -151.94 44.92 15 1 LEU E 170 ? ? -82.12 33.74 16 1 PHE E 171 ? ? -146.42 -46.25 17 1 PRO E 217 ? ? -58.89 98.33 18 1 TRP E 245 ? ? 65.45 176.57 19 1 TYR E 246 ? ? -175.57 136.26 20 1 TRP F 60 ? ? 83.78 -15.02 21 1 VAL G 50 ? ? -132.01 -44.76 22 1 ALA G 79 ? ? 49.19 70.99 23 1 THR G 85 ? ? -57.58 106.49 24 1 SER G 185 ? ? -67.48 -178.93 25 1 SER G 196 ? ? -165.28 116.72 26 1 ASP H 95 ? ? -92.18 -149.48 27 1 ASP H 182 ? ? -108.87 45.50 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A LYS 6 ? CG ? A LYS 6 CG 2 1 Y 1 A LYS 6 ? CD ? A LYS 6 CD 3 1 Y 1 A LYS 6 ? CE ? A LYS 6 CE 4 1 Y 1 A LYS 6 ? NZ ? A LYS 6 NZ 5 1 Y 1 A GLU 64 ? CD ? A GLU 64 CD 6 1 Y 1 A GLU 64 ? OE1 ? A GLU 64 OE1 7 1 Y 1 A GLU 64 ? OE2 ? A GLU 64 OE2 8 1 Y 1 A LYS 65 ? CE ? A LYS 65 CE 9 1 Y 1 A LYS 65 ? NZ ? A LYS 65 NZ 10 1 Y 1 A LYS 91 ? CG ? A LYS 91 CG 11 1 Y 1 A LYS 91 ? CD ? A LYS 91 CD 12 1 Y 1 A LYS 91 ? CE ? A LYS 91 CE 13 1 Y 1 A LYS 91 ? NZ ? A LYS 91 NZ 14 1 Y 1 A GLU 92 ? CD ? A GLU 92 CD 15 1 Y 1 A GLU 92 ? OE1 ? A GLU 92 OE1 16 1 Y 1 A GLU 92 ? OE2 ? A GLU 92 OE2 17 1 Y 1 A GLU 113 ? CG ? A GLU 113 CG 18 1 Y 1 A GLU 113 ? CD ? A GLU 113 CD 19 1 Y 1 A GLU 113 ? OE1 ? A GLU 113 OE1 20 1 Y 1 A GLU 113 ? OE2 ? A GLU 113 OE2 21 1 Y 1 A LYS 123 ? CG ? A LYS 123 CG 22 1 Y 1 A LYS 123 ? CD ? A LYS 123 CD 23 1 Y 1 A LYS 123 ? CE ? A LYS 123 CE 24 1 Y 1 A LYS 123 ? NZ ? A LYS 123 NZ 25 1 Y 1 A LYS 185 ? CG ? A LYS 185 CG 26 1 Y 1 A LYS 185 ? CD ? A LYS 185 CD 27 1 Y 1 A LYS 185 ? CE ? A LYS 185 CE 28 1 Y 1 A LYS 185 ? NZ ? A LYS 185 NZ 29 1 Y 1 A LYS 188 ? CG ? A LYS 188 CG 30 1 Y 1 A LYS 188 ? CD ? A LYS 188 CD 31 1 Y 1 A LYS 188 ? CE ? A LYS 188 CE 32 1 Y 1 A LYS 188 ? NZ ? A LYS 188 NZ 33 1 Y 1 A SER 195 ? OG ? A SER 195 OG 34 1 Y 1 A VAL 196 ? CG1 ? A VAL 196 CG1 35 1 Y 1 A VAL 196 ? CG2 ? A VAL 196 CG2 36 1 Y 1 A SER 198 ? OG ? A SER 198 OG 37 1 Y 1 A HIS 203 ? CG ? A HIS 203 CG 38 1 Y 1 A HIS 203 ? ND1 ? A HIS 203 ND1 39 1 Y 1 A HIS 203 ? CD2 ? A HIS 203 CD2 40 1 Y 1 A HIS 203 ? CE1 ? A HIS 203 CE1 41 1 Y 1 A HIS 203 ? NE2 ? A HIS 203 NE2 42 1 Y 1 A ARG 204 ? CG ? A ARG 204 CG 43 1 Y 1 A ARG 204 ? CD ? A ARG 204 CD 44 1 Y 1 A ARG 204 ? NE ? A ARG 204 NE 45 1 Y 1 A ARG 204 ? CZ ? A ARG 204 CZ 46 1 Y 1 A ARG 204 ? NH1 ? A ARG 204 NH1 47 1 Y 1 A ARG 204 ? NH2 ? A ARG 204 NH2 48 1 Y 1 A GLN 205 ? CG ? A GLN 205 CG 49 1 Y 1 A GLN 205 ? CD ? A GLN 205 CD 50 1 Y 1 A GLN 205 ? OE1 ? A GLN 205 OE1 51 1 Y 1 A GLN 205 ? NE2 ? A GLN 205 NE2 52 1 Y 1 A LEU 206 ? CG ? A LEU 206 CG 53 1 Y 1 A LEU 206 ? CD1 ? A LEU 206 CD1 54 1 Y 1 A LEU 206 ? CD2 ? A LEU 206 CD2 55 1 Y 1 A GLN 227 ? CG ? A GLN 227 CG 56 1 Y 1 A GLN 227 ? CD ? A GLN 227 CD 57 1 Y 1 A GLN 227 ? OE1 ? A GLN 227 OE1 58 1 Y 1 A GLN 227 ? NE2 ? A GLN 227 NE2 59 1 Y 1 A GLN 229 ? CG ? A GLN 229 CG 60 1 Y 1 A GLN 229 ? CD ? A GLN 229 CD 61 1 Y 1 A GLN 229 ? OE1 ? A GLN 229 OE1 62 1 Y 1 A GLN 229 ? NE2 ? A GLN 229 NE2 63 1 Y 1 A GLN 230 ? CG ? A GLN 230 CG 64 1 Y 1 A GLN 230 ? CD ? A GLN 230 CD 65 1 Y 1 A GLN 230 ? OE1 ? A GLN 230 OE1 66 1 Y 1 A GLN 230 ? NE2 ? A GLN 230 NE2 67 1 Y 1 A ARG 234 ? CG ? A ARG 234 CG 68 1 Y 1 A ARG 234 ? CD ? A ARG 234 CD 69 1 Y 1 A ARG 234 ? NE ? A ARG 234 NE 70 1 Y 1 A ARG 234 ? CZ ? A ARG 234 CZ 71 1 Y 1 A ARG 234 ? NH1 ? A ARG 234 NH1 72 1 Y 1 A ARG 234 ? NH2 ? A ARG 234 NH2 73 1 Y 1 A LEU 251 ? CG ? A LEU 251 CG 74 1 Y 1 A LEU 251 ? CD1 ? A LEU 251 CD1 75 1 Y 1 A LEU 251 ? CD2 ? A LEU 251 CD2 76 1 Y 1 A GLU 257 ? CG ? A GLU 257 CG 77 1 Y 1 A GLU 257 ? CD ? A GLU 257 CD 78 1 Y 1 A GLU 257 ? OE1 ? A GLU 257 OE1 79 1 Y 1 A GLU 257 ? OE2 ? A GLU 257 OE2 80 1 Y 1 A GLN 273 ? CG ? A GLN 273 CG 81 1 Y 1 A GLN 273 ? CD ? A GLN 273 CD 82 1 Y 1 A GLN 273 ? OE1 ? A GLN 273 OE1 83 1 Y 1 A GLN 273 ? NE2 ? A GLN 273 NE2 84 1 Y 1 A ILE 276 ? CG1 ? A ILE 276 CG1 85 1 Y 1 A ILE 276 ? CG2 ? A ILE 276 CG2 86 1 Y 1 A ILE 276 ? CD1 ? A ILE 276 CD1 87 1 Y 1 B LYS 3 ? CG ? B LYS 3 CG 88 1 Y 1 B LYS 3 ? CD ? B LYS 3 CD 89 1 Y 1 B LYS 3 ? CE ? B LYS 3 CE 90 1 Y 1 B LYS 3 ? NZ ? B LYS 3 NZ 91 1 Y 1 B GLU 16 ? CG ? B GLU 16 CG 92 1 Y 1 B GLU 16 ? CD ? B GLU 16 CD 93 1 Y 1 B GLU 16 ? OE1 ? B GLU 16 OE1 94 1 Y 1 B GLU 16 ? OE2 ? B GLU 16 OE2 95 1 Y 1 B LYS 19 ? CG ? B LYS 19 CG 96 1 Y 1 B LYS 19 ? CD ? B LYS 19 CD 97 1 Y 1 B LYS 19 ? CE ? B LYS 19 CE 98 1 Y 1 B LYS 19 ? NZ ? B LYS 19 NZ 99 1 Y 1 B GLU 36 ? CG ? B GLU 36 CG 100 1 Y 1 B GLU 36 ? CD ? B GLU 36 CD 101 1 Y 1 B GLU 36 ? OE1 ? B GLU 36 OE1 102 1 Y 1 B GLU 36 ? OE2 ? B GLU 36 OE2 103 1 Y 1 B LYS 45 ? CG ? B LYS 45 CG 104 1 Y 1 B LYS 45 ? CD ? B LYS 45 CD 105 1 Y 1 B LYS 45 ? CE ? B LYS 45 CE 106 1 Y 1 B LYS 45 ? NZ ? B LYS 45 NZ 107 1 Y 1 B LYS 48 ? CG ? B LYS 48 CG 108 1 Y 1 B LYS 48 ? CD ? B LYS 48 CD 109 1 Y 1 B LYS 48 ? CE ? B LYS 48 CE 110 1 Y 1 B LYS 48 ? NZ ? B LYS 48 NZ 111 1 Y 1 B GLU 74 ? CG ? B GLU 74 CG 112 1 Y 1 B GLU 74 ? CD ? B GLU 74 CD 113 1 Y 1 B GLU 74 ? OE1 ? B GLU 74 OE1 114 1 Y 1 B GLU 74 ? OE2 ? B GLU 74 OE2 115 1 Y 1 C GLU 4 ? CD ? C GLU 6 CD 116 1 Y 1 C GLU 4 ? OE1 ? C GLU 6 OE1 117 1 Y 1 C GLU 4 ? OE2 ? C GLU 6 OE2 118 1 Y 1 C LYS 41 ? CE ? C LYS 43 CE 119 1 Y 1 C LYS 41 ? NZ ? C LYS 43 NZ 120 1 Y 1 C LYS 53 ? CG ? C LYS 55 CG 121 1 Y 1 C LYS 53 ? CD ? C LYS 55 CD 122 1 Y 1 C LYS 53 ? CE ? C LYS 55 CE 123 1 Y 1 C LYS 53 ? NZ ? C LYS 55 NZ 124 1 Y 1 C LYS 55 ? CG ? C LYS 57 CG 125 1 Y 1 C LYS 55 ? CD ? C LYS 57 CD 126 1 Y 1 C LYS 55 ? CE ? C LYS 57 CE 127 1 Y 1 C LYS 55 ? NZ ? C LYS 57 NZ 128 1 Y 1 C GLN 119 ? CG ? C GLN 118 CG 129 1 Y 1 C GLN 119 ? CD ? C GLN 118 CD 130 1 Y 1 C GLN 119 ? OE1 ? C GLN 118 OE1 131 1 Y 1 C GLN 119 ? NE2 ? C GLN 118 NE2 132 1 Y 1 C LYS 136 ? CG ? C LYS 135 CG 133 1 Y 1 C LYS 136 ? CD ? C LYS 135 CD 134 1 Y 1 C LYS 136 ? CE ? C LYS 135 CE 135 1 Y 1 C LYS 136 ? NZ ? C LYS 135 NZ 136 1 Y 1 C ASP 145 ? CG ? C ASP 144 CG 137 1 Y 1 C ASP 145 ? OD1 ? C ASP 144 OD1 138 1 Y 1 C ASP 145 ? OD2 ? C ASP 144 OD2 139 1 Y 1 C GLN 147 ? CG ? C GLN 146 CG 140 1 Y 1 C GLN 147 ? CD ? C GLN 146 CD 141 1 Y 1 C GLN 147 ? OE1 ? C GLN 146 OE1 142 1 Y 1 C GLN 147 ? NE2 ? C GLN 146 NE2 143 1 Y 1 C VAL 150 ? CG1 ? C VAL 149 CG1 144 1 Y 1 C VAL 150 ? CG2 ? C VAL 149 CG2 145 1 Y 1 C ASP 155 ? CG ? C ASP 154 CG 146 1 Y 1 C ASP 155 ? OD1 ? C ASP 154 OD1 147 1 Y 1 C ASP 155 ? OD2 ? C ASP 154 OD2 148 1 Y 1 C ASP 157 ? CG ? C ASP 156 CG 149 1 Y 1 C ASP 157 ? OD1 ? C ASP 156 OD1 150 1 Y 1 C ASP 157 ? OD2 ? C ASP 156 OD2 151 1 Y 1 C LYS 184 ? CG ? C LYS 183 CG 152 1 Y 1 C LYS 184 ? CD ? C LYS 183 CD 153 1 Y 1 C LYS 184 ? CE ? C LYS 183 CE 154 1 Y 1 C LYS 184 ? NZ ? C LYS 183 NZ 155 1 Y 1 C SER 185 ? OG ? C SER 184 OG 156 1 Y 1 C ASP 186 ? CG ? C ASP 185 CG 157 1 Y 1 C ASP 186 ? OD1 ? C ASP 185 OD1 158 1 Y 1 C ASP 186 ? OD2 ? C ASP 185 OD2 159 1 Y 1 C ASN 191 ? CG ? C ASN 190 CG 160 1 Y 1 C ASN 191 ? OD1 ? C ASN 190 OD1 161 1 Y 1 C ASN 191 ? ND2 ? C ASN 190 ND2 162 1 Y 1 C GLU 200 ? CG ? C GLU 199 CG 163 1 Y 1 C GLU 200 ? CD ? C GLU 199 CD 164 1 Y 1 C GLU 200 ? OE1 ? C GLU 199 OE1 165 1 Y 1 C GLU 200 ? OE2 ? C GLU 199 OE2 166 1 Y 1 D LYS 65 ? CD ? D LYS 66 CD 167 1 Y 1 D LYS 65 ? CE ? D LYS 66 CE 168 1 Y 1 D LYS 65 ? NZ ? D LYS 66 NZ 169 1 Y 1 D GLU 72 ? CD ? D GLU 73 CD 170 1 Y 1 D GLU 72 ? OE1 ? D GLU 73 OE1 171 1 Y 1 D GLU 72 ? OE2 ? D GLU 73 OE2 172 1 Y 1 D ARG 115 ? CG ? D ARG 116 CG 173 1 Y 1 D ARG 115 ? CD ? D ARG 116 CD 174 1 Y 1 D ARG 115 ? NE ? D ARG 116 NE 175 1 Y 1 D ARG 115 ? CZ ? D ARG 116 CZ 176 1 Y 1 D ARG 115 ? NH1 ? D ARG 116 NH1 177 1 Y 1 D ARG 115 ? NH2 ? D ARG 116 NH2 178 1 Y 1 D LYS 129 ? CG ? D LYS 130 CG 179 1 Y 1 D LYS 129 ? CD ? D LYS 130 CD 180 1 Y 1 D LYS 129 ? CE ? D LYS 130 CE 181 1 Y 1 D LYS 129 ? NZ ? D LYS 130 NZ 182 1 Y 1 D GLU 153 ? CD ? D GLU 154 CD 183 1 Y 1 D GLU 153 ? OE1 ? D GLU 154 OE1 184 1 Y 1 D GLU 153 ? OE2 ? D GLU 154 OE2 185 1 Y 1 D LEU 180 ? CG ? D LEU 181 CG 186 1 Y 1 D LEU 180 ? CD1 ? D LEU 181 CD1 187 1 Y 1 D LEU 180 ? CD2 ? D LEU 181 CD2 188 1 Y 1 D ASN 181 ? CG ? D ASN 182 CG 189 1 Y 1 D ASN 181 ? OD1 ? D ASN 182 OD1 190 1 Y 1 D ASN 181 ? ND2 ? D ASN 182 ND2 191 1 Y 1 D GLU 216 ? CG ? D GLU 217 CG 192 1 Y 1 D GLU 216 ? CD ? D GLU 217 CD 193 1 Y 1 D GLU 216 ? OE1 ? D GLU 217 OE1 194 1 Y 1 D GLU 216 ? OE2 ? D GLU 217 OE2 195 1 Y 1 D GLU 219 ? CG ? D GLU 220 CG 196 1 Y 1 D GLU 219 ? CD ? D GLU 220 CD 197 1 Y 1 D GLU 219 ? OE1 ? D GLU 220 OE1 198 1 Y 1 D GLU 219 ? OE2 ? D GLU 220 OE2 199 1 Y 1 D ASP 223 ? CG ? D ASP 224 CG 200 1 Y 1 D ASP 223 ? OD1 ? D ASP 224 OD1 201 1 Y 1 D ASP 223 ? OD2 ? D ASP 224 OD2 202 1 Y 1 E ARG 21 ? NE ? E ARG 21 NE 203 1 Y 1 E ARG 21 ? CZ ? E ARG 21 CZ 204 1 Y 1 E ARG 21 ? NH1 ? E ARG 21 NH1 205 1 Y 1 E ARG 21 ? NH2 ? E ARG 21 NH2 206 1 Y 1 E LEU 32 ? CG ? E LEU 32 CG 207 1 Y 1 E LEU 32 ? CD1 ? E LEU 32 CD1 208 1 Y 1 E LEU 32 ? CD2 ? E LEU 32 CD2 209 1 Y 1 E LEU 35 ? CG ? E LEU 35 CG 210 1 Y 1 E LEU 35 ? CD1 ? E LEU 35 CD1 211 1 Y 1 E LEU 35 ? CD2 ? E LEU 35 CD2 212 1 Y 1 E ASP 43 ? CG ? E ASP 43 CG 213 1 Y 1 E ASP 43 ? OD1 ? E ASP 43 OD1 214 1 Y 1 E ASP 43 ? OD2 ? E ASP 43 OD2 215 1 Y 1 E SER 54 ? OG ? E SER 54 OG 216 1 Y 1 E LYS 57 ? CG ? E LYS 57 CG 217 1 Y 1 E LYS 57 ? CD ? E LYS 57 CD 218 1 Y 1 E LYS 57 ? CE ? E LYS 57 CE 219 1 Y 1 E LYS 57 ? NZ ? E LYS 57 NZ 220 1 Y 1 E SER 59 ? OG ? E SER 59 OG 221 1 Y 1 E GLN 62 ? CG ? E GLN 62 CG 222 1 Y 1 E GLN 62 ? CD ? E GLN 62 CD 223 1 Y 1 E GLN 62 ? OE1 ? E GLN 62 OE1 224 1 Y 1 E GLN 62 ? NE2 ? E GLN 62 NE2 225 1 Y 1 E GLU 64 ? CG ? E GLU 64 CG 226 1 Y 1 E GLU 64 ? CD ? E GLU 64 CD 227 1 Y 1 E GLU 64 ? OE1 ? E GLU 64 OE1 228 1 Y 1 E GLU 64 ? OE2 ? E GLU 64 OE2 229 1 Y 1 E LYS 65 ? CG ? E LYS 65 CG 230 1 Y 1 E LYS 65 ? CD ? E LYS 65 CD 231 1 Y 1 E LYS 65 ? CE ? E LYS 65 CE 232 1 Y 1 E LYS 65 ? NZ ? E LYS 65 NZ 233 1 Y 1 E LEU 66 ? CG ? E LEU 66 CG 234 1 Y 1 E LEU 66 ? CD1 ? E LEU 66 CD1 235 1 Y 1 E LEU 66 ? CD2 ? E LEU 66 CD2 236 1 Y 1 E LYS 91 ? CG ? E LYS 91 CG 237 1 Y 1 E LYS 91 ? CD ? E LYS 91 CD 238 1 Y 1 E LYS 91 ? CE ? E LYS 91 CE 239 1 Y 1 E LYS 91 ? NZ ? E LYS 91 NZ 240 1 Y 1 E GLU 105 ? CG ? E GLU 105 CG 241 1 Y 1 E GLU 105 ? CD ? E GLU 105 CD 242 1 Y 1 E GLU 105 ? OE1 ? E GLU 105 OE1 243 1 Y 1 E GLU 105 ? OE2 ? E GLU 105 OE2 244 1 Y 1 E GLU 113 ? CG ? E GLU 113 CG 245 1 Y 1 E GLU 113 ? CD ? E GLU 113 CD 246 1 Y 1 E GLU 113 ? OE1 ? E GLU 113 OE1 247 1 Y 1 E GLU 113 ? OE2 ? E GLU 113 OE2 248 1 Y 1 E LYS 123 ? CG ? E LYS 123 CG 249 1 Y 1 E LYS 123 ? CD ? E LYS 123 CD 250 1 Y 1 E LYS 123 ? CE ? E LYS 123 CE 251 1 Y 1 E LYS 123 ? NZ ? E LYS 123 NZ 252 1 Y 1 E LEU 170 ? CG ? E LEU 170 CG 253 1 Y 1 E LEU 170 ? CD1 ? E LEU 170 CD1 254 1 Y 1 E LEU 170 ? CD2 ? E LEU 170 CD2 255 1 Y 1 E ARG 173 ? NE ? E ARG 173 NE 256 1 Y 1 E ARG 173 ? CZ ? E ARG 173 CZ 257 1 Y 1 E ARG 173 ? NH1 ? E ARG 173 NH1 258 1 Y 1 E ARG 173 ? NH2 ? E ARG 173 NH2 259 1 Y 1 E LEU 175 ? CG ? E LEU 175 CG 260 1 Y 1 E LEU 175 ? CD1 ? E LEU 175 CD1 261 1 Y 1 E LEU 175 ? CD2 ? E LEU 175 CD2 262 1 Y 1 E LYS 180 ? CG ? E LYS 180 CG 263 1 Y 1 E LYS 180 ? CD ? E LYS 180 CD 264 1 Y 1 E LYS 180 ? CE ? E LYS 180 CE 265 1 Y 1 E LYS 180 ? NZ ? E LYS 180 NZ 266 1 Y 1 E SER 181 ? OG ? E SER 181 OG 267 1 Y 1 E LYS 185 ? CG ? E LYS 185 CG 268 1 Y 1 E LYS 185 ? CD ? E LYS 185 CD 269 1 Y 1 E LYS 185 ? CE ? E LYS 185 CE 270 1 Y 1 E LYS 185 ? NZ ? E LYS 185 NZ 271 1 Y 1 E TRP 192 ? CG ? E TRP 192 CG 272 1 Y 1 E TRP 192 ? CD1 ? E TRP 192 CD1 273 1 Y 1 E TRP 192 ? CD2 ? E TRP 192 CD2 274 1 Y 1 E TRP 192 ? NE1 ? E TRP 192 NE1 275 1 Y 1 E TRP 192 ? CE2 ? E TRP 192 CE2 276 1 Y 1 E TRP 192 ? CE3 ? E TRP 192 CE3 277 1 Y 1 E TRP 192 ? CZ2 ? E TRP 192 CZ2 278 1 Y 1 E TRP 192 ? CZ3 ? E TRP 192 CZ3 279 1 Y 1 E TRP 192 ? CH2 ? E TRP 192 CH2 280 1 Y 1 E LEU 193 ? CG ? E LEU 193 CG 281 1 Y 1 E LEU 193 ? CD1 ? E LEU 193 CD1 282 1 Y 1 E LEU 193 ? CD2 ? E LEU 193 CD2 283 1 Y 1 E SER 194 ? OG ? E SER 194 OG 284 1 Y 1 E VAL 196 ? CG1 ? E VAL 196 CG1 285 1 Y 1 E VAL 196 ? CG2 ? E VAL 196 CG2 286 1 Y 1 E LEU 206 ? CG ? E LEU 206 CG 287 1 Y 1 E LEU 206 ? CD1 ? E LEU 206 CD1 288 1 Y 1 E LEU 206 ? CD2 ? E LEU 206 CD2 289 1 Y 1 E VAL 207 ? CG1 ? E VAL 207 CG1 290 1 Y 1 E VAL 207 ? CG2 ? E VAL 207 CG2 291 1 Y 1 E CYS 208 ? SG ? E CYS 208 SG 292 1 Y 1 E LYS 216 ? CG ? E LYS 216 CG 293 1 Y 1 E LYS 216 ? CD ? E LYS 216 CD 294 1 Y 1 E LYS 216 ? CE ? E LYS 216 CE 295 1 Y 1 E LYS 216 ? NZ ? E LYS 216 NZ 296 1 Y 1 E ASN 240 ? CG ? E ASN 240 CG 297 1 Y 1 E ASN 240 ? OD1 ? E ASN 240 OD1 298 1 Y 1 E ASN 240 ? ND2 ? E ASN 240 ND2 299 1 Y 1 E ASP 242 ? CG ? E ASP 242 CG 300 1 Y 1 E ASP 242 ? OD1 ? E ASP 242 OD1 301 1 Y 1 E ASP 242 ? OD2 ? E ASP 242 OD2 302 1 Y 1 E GLU 243 ? CG ? E GLU 243 CG 303 1 Y 1 E GLU 243 ? CD ? E GLU 243 CD 304 1 Y 1 E GLU 243 ? OE1 ? E GLU 243 OE1 305 1 Y 1 E GLU 243 ? OE2 ? E GLU 243 OE2 306 1 Y 1 E LEU 247 ? CG ? E LEU 247 CG 307 1 Y 1 E LEU 247 ? CD1 ? E LEU 247 CD1 308 1 Y 1 E LEU 247 ? CD2 ? E LEU 247 CD2 309 1 Y 1 E GLN 248 ? CG ? E GLN 248 CG 310 1 Y 1 E GLN 248 ? CD ? E GLN 248 CD 311 1 Y 1 E GLN 248 ? OE1 ? E GLN 248 OE1 312 1 Y 1 E GLN 248 ? NE2 ? E GLN 248 NE2 313 1 Y 1 F LYS 3 ? CG ? F LYS 3 CG 314 1 Y 1 F LYS 3 ? CD ? F LYS 3 CD 315 1 Y 1 F LYS 3 ? CE ? F LYS 3 CE 316 1 Y 1 F LYS 3 ? NZ ? F LYS 3 NZ 317 1 Y 1 F GLU 16 ? CG ? F GLU 16 CG 318 1 Y 1 F GLU 16 ? CD ? F GLU 16 CD 319 1 Y 1 F GLU 16 ? OE1 ? F GLU 16 OE1 320 1 Y 1 F GLU 16 ? OE2 ? F GLU 16 OE2 321 1 Y 1 F LYS 19 ? CG ? F LYS 19 CG 322 1 Y 1 F LYS 19 ? CD ? F LYS 19 CD 323 1 Y 1 F LYS 19 ? CE ? F LYS 19 CE 324 1 Y 1 F LYS 19 ? NZ ? F LYS 19 NZ 325 1 Y 1 F ILE 22 ? CG1 ? F ILE 22 CG1 326 1 Y 1 F ILE 22 ? CG2 ? F ILE 22 CG2 327 1 Y 1 F ILE 22 ? CD1 ? F ILE 22 CD1 328 1 Y 1 F GLU 36 ? CG ? F GLU 36 CG 329 1 Y 1 F GLU 36 ? CD ? F GLU 36 CD 330 1 Y 1 F GLU 36 ? OE1 ? F GLU 36 OE1 331 1 Y 1 F GLU 36 ? OE2 ? F GLU 36 OE2 332 1 Y 1 F LYS 41 ? CG ? F LYS 41 CG 333 1 Y 1 F LYS 41 ? CD ? F LYS 41 CD 334 1 Y 1 F LYS 41 ? CE ? F LYS 41 CE 335 1 Y 1 F LYS 41 ? NZ ? F LYS 41 NZ 336 1 Y 1 F LYS 45 ? CG ? F LYS 45 CG 337 1 Y 1 F LYS 45 ? CD ? F LYS 45 CD 338 1 Y 1 F LYS 45 ? CE ? F LYS 45 CE 339 1 Y 1 F LYS 45 ? NZ ? F LYS 45 NZ 340 1 Y 1 F LYS 48 ? CG ? F LYS 48 CG 341 1 Y 1 F LYS 48 ? CD ? F LYS 48 CD 342 1 Y 1 F LYS 48 ? CE ? F LYS 48 CE 343 1 Y 1 F LYS 48 ? NZ ? F LYS 48 NZ 344 1 Y 1 F GLU 50 ? CG ? F GLU 50 CG 345 1 Y 1 F GLU 50 ? CD ? F GLU 50 CD 346 1 Y 1 F GLU 50 ? OE1 ? F GLU 50 OE1 347 1 Y 1 F GLU 50 ? OE2 ? F GLU 50 OE2 348 1 Y 1 F LYS 58 ? CG ? F LYS 58 CG 349 1 Y 1 F LYS 58 ? CD ? F LYS 58 CD 350 1 Y 1 F LYS 58 ? CE ? F LYS 58 CE 351 1 Y 1 F LYS 58 ? NZ ? F LYS 58 NZ 352 1 Y 1 F GLU 69 ? CG ? F GLU 69 CG 353 1 Y 1 F GLU 69 ? CD ? F GLU 69 CD 354 1 Y 1 F GLU 69 ? OE1 ? F GLU 69 OE1 355 1 Y 1 F GLU 69 ? OE2 ? F GLU 69 OE2 356 1 Y 1 F THR 71 ? OG1 ? F THR 71 OG1 357 1 Y 1 F THR 71 ? CG2 ? F THR 71 CG2 358 1 Y 1 F GLU 74 ? CG ? F GLU 74 CG 359 1 Y 1 F GLU 74 ? CD ? F GLU 74 CD 360 1 Y 1 F GLU 74 ? OE1 ? F GLU 74 OE1 361 1 Y 1 F GLU 74 ? OE2 ? F GLU 74 OE2 362 1 Y 1 F THR 75 ? OG1 ? F THR 75 OG1 363 1 Y 1 F THR 75 ? CG2 ? F THR 75 CG2 364 1 Y 1 F LYS 83 ? CG ? F LYS 83 CG 365 1 Y 1 F LYS 83 ? CD ? F LYS 83 CD 366 1 Y 1 F LYS 83 ? CE ? F LYS 83 CE 367 1 Y 1 F LYS 83 ? NZ ? F LYS 83 NZ 368 1 Y 1 F ARG 97 ? CG ? F ARG 97 CG 369 1 Y 1 F ARG 97 ? CD ? F ARG 97 CD 370 1 Y 1 F ARG 97 ? NE ? F ARG 97 NE 371 1 Y 1 F ARG 97 ? CZ ? F ARG 97 CZ 372 1 Y 1 F ARG 97 ? NH1 ? F ARG 97 NH1 373 1 Y 1 F ARG 97 ? NH2 ? F ARG 97 NH2 374 1 Y 1 G LYS 41 ? CE ? G LYS 43 CE 375 1 Y 1 G LYS 41 ? NZ ? G LYS 43 NZ 376 1 Y 1 G GLN 119 ? CG ? G GLN 118 CG 377 1 Y 1 G GLN 119 ? CD ? G GLN 118 CD 378 1 Y 1 G GLN 119 ? OE1 ? G GLN 118 OE1 379 1 Y 1 G GLN 119 ? NE2 ? G GLN 118 NE2 380 1 Y 1 G ASN 120 ? CG ? G ASN 119 CG 381 1 Y 1 G ASN 120 ? OD1 ? G ASN 119 OD1 382 1 Y 1 G ASN 120 ? ND2 ? G ASN 119 ND2 383 1 Y 1 G LYS 136 ? CE ? G LYS 135 CE 384 1 Y 1 G LYS 136 ? NZ ? G LYS 135 NZ 385 1 Y 1 G GLN 147 ? CG ? G GLN 146 CG 386 1 Y 1 G GLN 147 ? CD ? G GLN 146 CD 387 1 Y 1 G GLN 147 ? OE1 ? G GLN 146 OE1 388 1 Y 1 G GLN 147 ? NE2 ? G GLN 146 NE2 389 1 Y 1 G GLN 152 ? CG ? G GLN 151 CG 390 1 Y 1 G GLN 152 ? CD ? G GLN 151 CD 391 1 Y 1 G GLN 152 ? OE1 ? G GLN 151 OE1 392 1 Y 1 G GLN 152 ? NE2 ? G GLN 151 NE2 393 1 Y 1 G LYS 154 ? CG ? G LYS 153 CG 394 1 Y 1 G LYS 154 ? CD ? G LYS 153 CD 395 1 Y 1 G LYS 154 ? CE ? G LYS 153 CE 396 1 Y 1 G LYS 154 ? NZ ? G LYS 153 NZ 397 1 Y 1 G SER 170 ? OG ? G SER 169 OG 398 1 Y 1 G ASN 183 ? CG ? G ASN 182 CG 399 1 Y 1 G ASN 183 ? OD1 ? G ASN 182 OD1 400 1 Y 1 G ASN 183 ? ND2 ? G ASN 182 ND2 401 1 Y 1 G LYS 184 ? CG ? G LYS 183 CG 402 1 Y 1 G LYS 184 ? CD ? G LYS 183 CD 403 1 Y 1 G LYS 184 ? CE ? G LYS 183 CE 404 1 Y 1 G LYS 184 ? NZ ? G LYS 183 NZ 405 1 Y 1 G SER 185 ? OG ? G SER 184 OG 406 1 Y 1 G ASP 186 ? CG ? G ASP 185 CG 407 1 Y 1 G ASP 186 ? OD1 ? G ASP 185 OD1 408 1 Y 1 G ASP 186 ? OD2 ? G ASP 185 OD2 409 1 Y 1 G ASN 191 ? CG ? G ASN 190 CG 410 1 Y 1 G ASN 191 ? OD1 ? G ASN 190 OD1 411 1 Y 1 G ASN 191 ? ND2 ? G ASN 190 ND2 412 1 Y 1 G ASN 195 ? CG ? G ASN 194 CG 413 1 Y 1 G ASN 195 ? OD1 ? G ASN 194 OD1 414 1 Y 1 G ASN 195 ? ND2 ? G ASN 194 ND2 415 1 Y 1 G ILE 197 ? CG1 ? G ILE 196 CG1 416 1 Y 1 G ILE 197 ? CG2 ? G ILE 196 CG2 417 1 Y 1 G ILE 197 ? CD1 ? G ILE 196 CD1 418 1 Y 1 G GLU 200 ? CG ? G GLU 199 CG 419 1 Y 1 G GLU 200 ? CD ? G GLU 199 CD 420 1 Y 1 G GLU 200 ? OE1 ? G GLU 199 OE1 421 1 Y 1 G GLU 200 ? OE2 ? G GLU 199 OE2 422 1 Y 1 G ASP 201 ? CG ? G ASP 200 CG 423 1 Y 1 G ASP 201 ? OD1 ? G ASP 200 OD1 424 1 Y 1 G ASP 201 ? OD2 ? G ASP 200 OD2 425 1 Y 1 H GLU 1 ? CG ? H GLU 2 CG 426 1 Y 1 H GLU 1 ? CD ? H GLU 2 CD 427 1 Y 1 H GLU 1 ? OE1 ? H GLU 2 OE1 428 1 Y 1 H GLU 1 ? OE2 ? H GLU 2 OE2 429 1 Y 1 H GLU 112 ? CD ? H GLU 113 CD 430 1 Y 1 H GLU 112 ? OE1 ? H GLU 113 OE1 431 1 Y 1 H GLU 112 ? OE2 ? H GLU 113 OE2 432 1 Y 1 H ARG 115 ? CG ? H ARG 116 CG 433 1 Y 1 H ARG 115 ? CD ? H ARG 116 CD 434 1 Y 1 H ARG 115 ? NE ? H ARG 116 NE 435 1 Y 1 H ARG 115 ? CZ ? H ARG 116 CZ 436 1 Y 1 H ARG 115 ? NH1 ? H ARG 116 NH1 437 1 Y 1 H ARG 115 ? NH2 ? H ARG 116 NH2 438 1 Y 1 H LYS 129 ? CG ? H LYS 130 CG 439 1 Y 1 H LYS 129 ? CD ? H LYS 130 CD 440 1 Y 1 H LYS 129 ? CE ? H LYS 130 CE 441 1 Y 1 H LYS 129 ? NZ ? H LYS 130 NZ 442 1 Y 1 H LYS 175 ? CG ? H LYS 176 CG 443 1 Y 1 H LYS 175 ? CD ? H LYS 176 CD 444 1 Y 1 H LYS 175 ? CE ? H LYS 176 CE 445 1 Y 1 H LYS 175 ? NZ ? H LYS 176 NZ 446 1 Y 1 H LEU 180 ? CG ? H LEU 181 CG 447 1 Y 1 H LEU 180 ? CD1 ? H LEU 181 CD1 448 1 Y 1 H LEU 180 ? CD2 ? H LEU 181 CD2 449 1 Y 1 H ASN 181 ? CG ? H ASN 182 CG 450 1 Y 1 H ASN 181 ? OD1 ? H ASN 182 OD1 451 1 Y 1 H ASN 181 ? ND2 ? H ASN 182 ND2 452 1 Y 1 H ASP 182 ? CG ? H ASP 183 CG 453 1 Y 1 H ASP 182 ? OD1 ? H ASP 183 OD1 454 1 Y 1 H ASP 182 ? OD2 ? H ASP 183 OD2 455 1 Y 1 H ASN 217 ? CG ? H ASN 218 CG 456 1 Y 1 H ASN 217 ? OD1 ? H ASN 218 OD1 457 1 Y 1 H ASN 217 ? ND2 ? H ASN 218 ND2 458 1 Y 1 H GLU 219 ? CG ? H GLU 220 CG 459 1 Y 1 H GLU 219 ? CD ? H GLU 220 CD 460 1 Y 1 H GLU 219 ? OE1 ? H GLU 220 OE1 461 1 Y 1 H GLU 219 ? OE2 ? H GLU 220 OE2 462 1 Y 1 H ASP 223 ? CG ? H ASP 224 CG 463 1 Y 1 H ASP 223 ? OD1 ? H ASP 224 OD1 464 1 Y 1 H ASP 223 ? OD2 ? H ASP 224 OD2 465 1 Y 1 H ARG 224 ? CG ? H ARG 225 CG 466 1 Y 1 H ARG 224 ? CD ? H ARG 225 CD 467 1 Y 1 H ARG 224 ? NE ? H ARG 225 NE 468 1 Y 1 H ARG 224 ? CZ ? H ARG 225 CZ 469 1 Y 1 H ARG 224 ? NH1 ? H ARG 225 NH1 470 1 Y 1 H ARG 224 ? NH2 ? H ARG 225 NH2 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A SER 1 ? A SER 1 2 1 Y 1 A GLU 2 ? A GLU 2 3 1 Y 1 A ALA 3 ? A ALA 3 4 1 Y 1 A GLN 4 ? A GLN 4 5 1 Y 1 A GLN 5 ? A GLN 5 6 1 Y 1 A ALA 200 ? A ALA 200 7 1 Y 1 A HIS 201 ? A HIS 201 8 1 Y 1 A GLY 202 ? A GLY 202 9 1 Y 1 A VAL 253 ? A VAL 253 10 1 Y 1 A GLU 254 ? A GLU 254 11 1 Y 1 A ALA 255 ? A ALA 255 12 1 Y 1 A HIS 280 ? A HIS 280 13 1 Y 1 A HIS 281 ? A HIS 281 14 1 Y 1 A HIS 282 ? A HIS 282 15 1 Y 1 A HIS 283 ? A HIS 283 16 1 Y 1 A HIS 284 ? A HIS 284 17 1 Y 1 A HIS 285 ? A HIS 285 18 1 Y 1 B ILE 1 ? B ILE 1 19 1 Y 1 C MET -1 ? C MET 1 20 1 Y 1 C LYS 0 ? C LYS 2 21 1 Y 1 C GLN 152 ? C GLN 151 22 1 Y 1 C SER 153 ? C SER 152 23 1 Y 1 C LYS 154 ? C LYS 153 24 1 Y 1 C PRO 207 ? C PRO 206 25 1 Y 1 C GLU 208 ? C GLU 207 26 1 Y 1 C SER 209 ? C SER 208 27 1 Y 1 C SER 210 ? C SER 209 28 1 Y 1 D MET 0 ? D MET 1 29 1 Y 1 D GLU 1 ? D GLU 2 30 1 Y 1 E SER 1 ? E SER 1 31 1 Y 1 E GLU 2 ? E GLU 2 32 1 Y 1 E ALA 3 ? E ALA 3 33 1 Y 1 E GLN 4 ? E GLN 4 34 1 Y 1 E GLN 5 ? E GLN 5 35 1 Y 1 E LYS 6 ? E LYS 6 36 1 Y 1 E TYR 107 ? E TYR 107 37 1 Y 1 E PRO 108 ? E PRO 108 38 1 Y 1 E GLY 109 ? E GLY 109 39 1 Y 1 E ASN 110 ? E ASN 110 40 1 Y 1 E LYS 188 ? E LYS 188 41 1 Y 1 E PRO 189 ? E PRO 189 42 1 Y 1 E VAL 190 ? E VAL 190 43 1 Y 1 E ALA 191 ? E ALA 191 44 1 Y 1 E SER 198 ? E SER 198 45 1 Y 1 E SER 199 ? E SER 199 46 1 Y 1 E ALA 200 ? E ALA 200 47 1 Y 1 E HIS 201 ? E HIS 201 48 1 Y 1 E GLY 202 ? E GLY 202 49 1 Y 1 E HIS 203 ? E HIS 203 50 1 Y 1 E ARG 204 ? E ARG 204 51 1 Y 1 E GLN 205 ? E GLN 205 52 1 Y 1 E TRP 219 ? E TRP 219 53 1 Y 1 E VAL 220 ? E VAL 220 54 1 Y 1 E MET 221 ? E MET 221 55 1 Y 1 E TRP 222 ? E TRP 222 56 1 Y 1 E MET 223 ? E MET 223 57 1 Y 1 E ARG 224 ? E ARG 224 58 1 Y 1 E GLY 225 ? E GLY 225 59 1 Y 1 E ASP 226 ? E ASP 226 60 1 Y 1 E GLN 227 ? E GLN 227 61 1 Y 1 E GLU 228 ? E GLU 228 62 1 Y 1 E GLN 229 ? E GLN 229 63 1 Y 1 E GLN 230 ? E GLN 230 64 1 Y 1 E GLY 231 ? E GLY 231 65 1 Y 1 E THR 232 ? E THR 232 66 1 Y 1 E HIS 233 ? E HIS 233 67 1 Y 1 E ARG 234 ? E ARG 234 68 1 Y 1 E GLY 235 ? E GLY 235 69 1 Y 1 E ASP 236 ? E ASP 236 70 1 Y 1 E THR 250 ? E THR 250 71 1 Y 1 E LEU 251 ? E LEU 251 72 1 Y 1 E ASP 252 ? E ASP 252 73 1 Y 1 E VAL 253 ? E VAL 253 74 1 Y 1 E GLU 254 ? E GLU 254 75 1 Y 1 E ALA 255 ? E ALA 255 76 1 Y 1 E GLY 256 ? E GLY 256 77 1 Y 1 E GLU 257 ? E GLU 257 78 1 Y 1 E GLU 258 ? E GLU 258 79 1 Y 1 E ALA 259 ? E ALA 259 80 1 Y 1 E GLY 260 ? E GLY 260 81 1 Y 1 E LEU 261 ? E LEU 261 82 1 Y 1 E ALA 262 ? E ALA 262 83 1 Y 1 E CYS 263 ? E CYS 263 84 1 Y 1 E ARG 264 ? E ARG 264 85 1 Y 1 E VAL 265 ? E VAL 265 86 1 Y 1 E LYS 266 ? E LYS 266 87 1 Y 1 E HIS 267 ? E HIS 267 88 1 Y 1 E SER 268 ? E SER 268 89 1 Y 1 E SER 269 ? E SER 269 90 1 Y 1 E LEU 270 ? E LEU 270 91 1 Y 1 E GLY 271 ? E GLY 271 92 1 Y 1 E GLY 272 ? E GLY 272 93 1 Y 1 E GLN 273 ? E GLN 273 94 1 Y 1 E ASP 274 ? E ASP 274 95 1 Y 1 E ILE 275 ? E ILE 275 96 1 Y 1 E ILE 276 ? E ILE 276 97 1 Y 1 E LEU 277 ? E LEU 277 98 1 Y 1 E TYR 278 ? E TYR 278 99 1 Y 1 E TRP 279 ? E TRP 279 100 1 Y 1 E HIS 280 ? E HIS 280 101 1 Y 1 E HIS 281 ? E HIS 281 102 1 Y 1 E HIS 282 ? E HIS 282 103 1 Y 1 E HIS 283 ? E HIS 283 104 1 Y 1 E HIS 284 ? E HIS 284 105 1 Y 1 E HIS 285 ? E HIS 285 106 1 Y 1 F ILE 1 ? F ILE 1 107 1 Y 1 F MET 99 ? F MET 99 108 1 Y 1 G MET -1 ? G MET 1 109 1 Y 1 G LYS 0 ? G LYS 2 110 1 Y 1 G PRO 207 ? G PRO 206 111 1 Y 1 G GLU 208 ? G GLU 207 112 1 Y 1 G SER 209 ? G SER 208 113 1 Y 1 G SER 210 ? G SER 209 114 1 Y 1 H MET 0 ? H MET 1 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 5 N-ACETYL-D-GLUCOSAMINE NAG 6 ALPHA-L-FUCOSE FUC 7 'N-[(2S,3R)-10-[(1R,2R)-2-decylcyclopropyl]-1-(alpha-D-galactopyranosyloxy)-3-hydroxydecan-2-yl]hexacosanamide' 07P 8 'CHLORIDE ION' CL 9 GLYCEROL GOL 10 water HOH # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code I 5 NAG 1 508 508 NAG NAG A . J 5 NAG 1 509 509 NAG NAG A . K 5 NAG 2 510 510 NAG NAG A . L 5 NAG 1 511 511 NAG NAG A . M 5 NAG 2 512 512 NAG NAG A . N 6 FUC 3 513 513 FUC FUC A . O 7 07P 1 286 1 07P 07P A . P 8 CL 1 241 1 CL CL D . Q 5 NAG 1 514 514 NAG NAG E . R 5 NAG 1 515 515 NAG NAG E . S 5 NAG 2 516 516 NAG NAG E . T 5 NAG 1 517 517 NAG NAG E . U 5 NAG 2 518 518 NAG NAG E . V 6 FUC 3 519 519 FUC FUC E . W 7 07P 1 286 2 07P 07P E . X 9 GOL 1 287 2 GOL GOL E . Y 10 HOH 1 287 5 HOH HOH A . Y 10 HOH 2 288 13 HOH HOH A . Y 10 HOH 3 289 17 HOH HOH A . Y 10 HOH 4 290 18 HOH HOH A . Y 10 HOH 5 291 43 HOH HOH A . Y 10 HOH 6 292 44 HOH HOH A . Y 10 HOH 7 293 54 HOH HOH A . Y 10 HOH 8 294 55 HOH HOH A . Y 10 HOH 9 295 60 HOH HOH A . Z 10 HOH 1 100 4 HOH HOH B . Z 10 HOH 2 101 16 HOH HOH B . Z 10 HOH 3 102 30 HOH HOH B . Z 10 HOH 4 103 33 HOH HOH B . Z 10 HOH 5 104 40 HOH HOH B . Z 10 HOH 6 105 47 HOH HOH B . AA 10 HOH 1 211 1 HOH HOH C . AA 10 HOH 2 212 3 HOH HOH C . AA 10 HOH 3 213 10 HOH HOH C . AA 10 HOH 4 214 19 HOH HOH C . AA 10 HOH 5 215 24 HOH HOH C . AA 10 HOH 6 216 25 HOH HOH C . AA 10 HOH 7 217 35 HOH HOH C . AA 10 HOH 8 218 45 HOH HOH C . AA 10 HOH 9 219 46 HOH HOH C . AA 10 HOH 10 220 56 HOH HOH C . BA 10 HOH 1 242 2 HOH HOH D . BA 10 HOH 2 243 11 HOH HOH D . BA 10 HOH 3 244 22 HOH HOH D . BA 10 HOH 4 245 34 HOH HOH D . BA 10 HOH 5 246 41 HOH HOH D . BA 10 HOH 6 247 42 HOH HOH D . BA 10 HOH 7 248 48 HOH HOH D . BA 10 HOH 8 249 49 HOH HOH D . BA 10 HOH 9 250 53 HOH HOH D . BA 10 HOH 10 251 57 HOH HOH D . BA 10 HOH 11 252 58 HOH HOH D . BA 10 HOH 12 253 59 HOH HOH D . CA 10 HOH 1 288 21 HOH HOH E . CA 10 HOH 2 289 27 HOH HOH E . CA 10 HOH 3 290 32 HOH HOH E . DA 10 HOH 1 100 15 HOH HOH F . DA 10 HOH 2 101 31 HOH HOH F . DA 10 HOH 3 102 37 HOH HOH F . DA 10 HOH 4 103 38 HOH HOH F . DA 10 HOH 5 104 39 HOH HOH F . EA 10 HOH 1 211 7 HOH HOH G . EA 10 HOH 2 212 8 HOH HOH G . EA 10 HOH 3 213 9 HOH HOH G . EA 10 HOH 4 214 12 HOH HOH G . EA 10 HOH 5 215 20 HOH HOH G . EA 10 HOH 6 216 26 HOH HOH G . EA 10 HOH 7 217 51 HOH HOH G . FA 10 HOH 1 241 6 HOH HOH H . FA 10 HOH 2 242 14 HOH HOH H . FA 10 HOH 3 243 23 HOH HOH H . FA 10 HOH 4 244 28 HOH HOH H . FA 10 HOH 5 245 29 HOH HOH H . FA 10 HOH 6 246 36 HOH HOH H . FA 10 HOH 7 247 50 HOH HOH H . FA 10 HOH 8 248 52 HOH HOH H . #