data_4HFU # _entry.id 4HFU # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.287 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4HFU RCSB RCSB075413 WWPDB D_1000075413 # _pdbx_database_related.db_name PDB _pdbx_database_related.db_id 4HG4 _pdbx_database_related.details . _pdbx_database_related.content_type unspecified # _pdbx_database_status.entry_id 4HFU _pdbx_database_status.status_code REL _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.recvd_initial_deposition_date 2012-10-05 _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 'Xu, R.' 1 'Wilson, I.A.' 2 # _citation.id primary _citation.title 'A recurring motif for antibody recognition of the receptor-binding site of influenza hemagglutinin.' _citation.journal_abbrev Nat.Struct.Mol.Biol. _citation.journal_volume 20 _citation.page_first 363 _citation.page_last 370 _citation.year 2013 _citation.journal_id_ASTM ? _citation.country US _citation.journal_id_ISSN 1545-9993 _citation.journal_id_CSD ? _citation.book_publisher ? _citation.pdbx_database_id_PubMed 23396351 _citation.pdbx_database_id_DOI 10.1038/nsmb.2500 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Xu, R.' 1 primary 'Krause, J.C.' 2 primary 'McBride, R.' 3 primary 'Paulson, J.C.' 4 primary 'Crowe, J.E.' 5 primary 'Wilson, I.A.' 6 # _cell.length_a 129.590 _cell.length_b 129.590 _cell.length_c 536.885 _cell.angle_alpha 90.000 _cell.angle_beta 90.000 _cell.angle_gamma 120.000 _cell.entry_id 4HFU _cell.pdbx_unique_axis ? _cell.Z_PDB 18 _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.space_group_name_H-M 'H 3 2' _symmetry.entry_id 4HFU _symmetry.Int_Tables_number 155 _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _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 'Hemagglutinin HA1' 36573.379 1 ? ? ? ? 2 polymer man 'Hemagglutinin HA2' 20139.295 1 ? ? ? ? 3 polymer man 'Fab 8M2 heavy chain' 23988.754 1 ? ? ? ? 4 polymer man 'Fab 8M2 light chain' 23448.949 1 ? ? ? ? 5 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? # 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 ;PGDQICIGYHANNSTEKVDTILERNVTVTHAKDILEKTHNGKLCKLNGIPPLELGDCSIAGWLLGNPECDRLLSVPEWSY IMEKENPRDGLCYPGSFNDYEELKYLLSSVKHFEKVKILPKDRWTQHTTTGGSRACAVSGNPSFFRNMVWLTKKGSDYPV AKGSYNNTSGEQMLIIWGVHHPNDETEQRTLYQNVGTYVSVGTSTLNKRSTPEIATRPKVNGLGSRMEFSWTLLDMWDTI NFESTGNLIAPEYGFKISKRGSSGIMKTEGTLENCETKCQTPLGAINTTLPFHNVHPLTIGECPRYVKSEKLVLATGLRN VPQIESR ; ;PGDQICIGYHANNSTEKVDTILERNVTVTHAKDILEKTHNGKLCKLNGIPPLELGDCSIAGWLLGNPECDRLLSVPEWSY IMEKENPRDGLCYPGSFNDYEELKYLLSSVKHFEKVKILPKDRWTQHTTTGGSRACAVSGNPSFFRNMVWLTKKGSDYPV AKGSYNNTSGEQMLIIWGVHHPNDETEQRTLYQNVGTYVSVGTSTLNKRSTPEIATRPKVNGLGSRMEFSWTLLDMWDTI NFESTGNLIAPEYGFKISKRGSSGIMKTEGTLENCETKCQTPLGAINTTLPFHNVHPLTIGECPRYVKSEKLVLATGLRN VPQIESR ; A ? 2 'polypeptide(L)' no no ;GLFGAIAGFIEGGWQGMVDGWYGYHHSNDQGSGYAADKESTQKAFDGITNKVNSVIEKMNTQFEAVGKEFSNLERRLENL NKKMEDGFLDVWTYNAELLVLMENERTLDFHDSNVKNLYDKVRMQLRDNVKELGNGCFEFYHKCDDECMNSVKNGTYDYP KYEEESKLNRNEIK ; ;GLFGAIAGFIEGGWQGMVDGWYGYHHSNDQGSGYAADKESTQKAFDGITNKVNSVIEKMNTQFEAVGKEFSNLERRLENL NKKMEDGFLDVWTYNAELLVLMENERTLDFHDSNVKNLYDKVRMQLRDNVKELGNGCFEFYHKCDDECMNSVKNGTYDYP KYEEESKLNRNEIK ; B ? 3 'polypeptide(L)' no no ;EVQLVESGADMKPPGSSVKVPCKASGDTFSSYTITWVRQAPGQGLEWMGGITPIFGSPNYAQRFQDRVIITADESTSTAY MEVSNLRSEDTAVYFCARVGGEWGSGRYYLDHWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPV TVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSC ; ;EVQLVESGADMKPPGSSVKVPCKASGDTFSSYTITWVRQAPGQGLEWMGGITPIFGSPNYAQRFQDRVIITADESTSTAY MEVSNLRSEDTAVYFCARVGGEWGSGRYYLDHWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPV TVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSC ; H ? 4 'polypeptide(L)' no no ;DIQLTQSPASLSVSPGERATLSCRASQSVAGNLAWYQQKPGQAPRLLIYGASTRATGIPARFSGSGSGTEFTLTITSLQS EDFAVYYCQQYNNWPPWTFGQGTKVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNS QESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC ; ;DIQLTQSPASLSVSPGERATLSCRASQSVAGNLAWYQQKPGQAPRLLIYGASTRATGIPARFSGSGSGTEFTLTITSLQS EDFAVYYCQQYNNWPPWTFGQGTKVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNS QESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC ; L ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 PRO n 1 2 GLY n 1 3 ASP n 1 4 GLN n 1 5 ILE n 1 6 CYS n 1 7 ILE n 1 8 GLY n 1 9 TYR n 1 10 HIS n 1 11 ALA n 1 12 ASN n 1 13 ASN n 1 14 SER n 1 15 THR n 1 16 GLU n 1 17 LYS n 1 18 VAL n 1 19 ASP n 1 20 THR n 1 21 ILE n 1 22 LEU n 1 23 GLU n 1 24 ARG n 1 25 ASN n 1 26 VAL n 1 27 THR n 1 28 VAL n 1 29 THR n 1 30 HIS n 1 31 ALA n 1 32 LYS n 1 33 ASP n 1 34 ILE n 1 35 LEU n 1 36 GLU n 1 37 LYS n 1 38 THR n 1 39 HIS n 1 40 ASN n 1 41 GLY n 1 42 LYS n 1 43 LEU n 1 44 CYS n 1 45 LYS n 1 46 LEU n 1 47 ASN n 1 48 GLY n 1 49 ILE n 1 50 PRO n 1 51 PRO n 1 52 LEU n 1 53 GLU n 1 54 LEU n 1 55 GLY n 1 56 ASP n 1 57 CYS n 1 58 SER n 1 59 ILE n 1 60 ALA n 1 61 GLY n 1 62 TRP n 1 63 LEU n 1 64 LEU n 1 65 GLY n 1 66 ASN n 1 67 PRO n 1 68 GLU n 1 69 CYS n 1 70 ASP n 1 71 ARG n 1 72 LEU n 1 73 LEU n 1 74 SER n 1 75 VAL n 1 76 PRO n 1 77 GLU n 1 78 TRP n 1 79 SER n 1 80 TYR n 1 81 ILE n 1 82 MET n 1 83 GLU n 1 84 LYS n 1 85 GLU n 1 86 ASN n 1 87 PRO n 1 88 ARG n 1 89 ASP n 1 90 GLY n 1 91 LEU n 1 92 CYS n 1 93 TYR n 1 94 PRO n 1 95 GLY n 1 96 SER n 1 97 PHE n 1 98 ASN n 1 99 ASP n 1 100 TYR n 1 101 GLU n 1 102 GLU n 1 103 LEU n 1 104 LYS n 1 105 TYR n 1 106 LEU n 1 107 LEU n 1 108 SER n 1 109 SER n 1 110 VAL n 1 111 LYS n 1 112 HIS n 1 113 PHE n 1 114 GLU n 1 115 LYS n 1 116 VAL n 1 117 LYS n 1 118 ILE n 1 119 LEU n 1 120 PRO n 1 121 LYS n 1 122 ASP n 1 123 ARG n 1 124 TRP n 1 125 THR n 1 126 GLN n 1 127 HIS n 1 128 THR n 1 129 THR n 1 130 THR n 1 131 GLY n 1 132 GLY n 1 133 SER n 1 134 ARG n 1 135 ALA n 1 136 CYS n 1 137 ALA n 1 138 VAL n 1 139 SER n 1 140 GLY n 1 141 ASN n 1 142 PRO n 1 143 SER n 1 144 PHE n 1 145 PHE n 1 146 ARG n 1 147 ASN n 1 148 MET n 1 149 VAL n 1 150 TRP n 1 151 LEU n 1 152 THR n 1 153 LYS n 1 154 LYS n 1 155 GLY n 1 156 SER n 1 157 ASP n 1 158 TYR n 1 159 PRO n 1 160 VAL n 1 161 ALA n 1 162 LYS n 1 163 GLY n 1 164 SER n 1 165 TYR n 1 166 ASN n 1 167 ASN n 1 168 THR n 1 169 SER n 1 170 GLY n 1 171 GLU n 1 172 GLN n 1 173 MET n 1 174 LEU n 1 175 ILE n 1 176 ILE n 1 177 TRP n 1 178 GLY n 1 179 VAL n 1 180 HIS n 1 181 HIS n 1 182 PRO n 1 183 ASN n 1 184 ASP n 1 185 GLU n 1 186 THR n 1 187 GLU n 1 188 GLN n 1 189 ARG n 1 190 THR n 1 191 LEU n 1 192 TYR n 1 193 GLN n 1 194 ASN n 1 195 VAL n 1 196 GLY n 1 197 THR n 1 198 TYR n 1 199 VAL n 1 200 SER n 1 201 VAL n 1 202 GLY n 1 203 THR n 1 204 SER n 1 205 THR n 1 206 LEU n 1 207 ASN n 1 208 LYS n 1 209 ARG n 1 210 SER n 1 211 THR n 1 212 PRO n 1 213 GLU n 1 214 ILE n 1 215 ALA n 1 216 THR n 1 217 ARG n 1 218 PRO n 1 219 LYS n 1 220 VAL n 1 221 ASN n 1 222 GLY n 1 223 LEU n 1 224 GLY n 1 225 SER n 1 226 ARG n 1 227 MET n 1 228 GLU n 1 229 PHE n 1 230 SER n 1 231 TRP n 1 232 THR n 1 233 LEU n 1 234 LEU n 1 235 ASP n 1 236 MET n 1 237 TRP n 1 238 ASP n 1 239 THR n 1 240 ILE n 1 241 ASN n 1 242 PHE n 1 243 GLU n 1 244 SER n 1 245 THR n 1 246 GLY n 1 247 ASN n 1 248 LEU n 1 249 ILE n 1 250 ALA n 1 251 PRO n 1 252 GLU n 1 253 TYR n 1 254 GLY n 1 255 PHE n 1 256 LYS n 1 257 ILE n 1 258 SER n 1 259 LYS n 1 260 ARG n 1 261 GLY n 1 262 SER n 1 263 SER n 1 264 GLY n 1 265 ILE n 1 266 MET n 1 267 LYS n 1 268 THR n 1 269 GLU n 1 270 GLY n 1 271 THR n 1 272 LEU n 1 273 GLU n 1 274 ASN n 1 275 CYS n 1 276 GLU n 1 277 THR n 1 278 LYS n 1 279 CYS n 1 280 GLN n 1 281 THR n 1 282 PRO n 1 283 LEU n 1 284 GLY n 1 285 ALA n 1 286 ILE n 1 287 ASN n 1 288 THR n 1 289 THR n 1 290 LEU n 1 291 PRO n 1 292 PHE n 1 293 HIS n 1 294 ASN n 1 295 VAL n 1 296 HIS n 1 297 PRO n 1 298 LEU n 1 299 THR n 1 300 ILE n 1 301 GLY n 1 302 GLU n 1 303 CYS n 1 304 PRO n 1 305 ARG n 1 306 TYR n 1 307 VAL n 1 308 LYS n 1 309 SER n 1 310 GLU n 1 311 LYS n 1 312 LEU n 1 313 VAL n 1 314 LEU n 1 315 ALA n 1 316 THR n 1 317 GLY n 1 318 LEU n 1 319 ARG n 1 320 ASN n 1 321 VAL n 1 322 PRO n 1 323 GLN n 1 324 ILE n 1 325 GLU n 1 326 SER n 1 327 ARG n 2 1 GLY n 2 2 LEU n 2 3 PHE n 2 4 GLY n 2 5 ALA n 2 6 ILE n 2 7 ALA n 2 8 GLY n 2 9 PHE n 2 10 ILE n 2 11 GLU n 2 12 GLY n 2 13 GLY n 2 14 TRP n 2 15 GLN n 2 16 GLY n 2 17 MET n 2 18 VAL n 2 19 ASP n 2 20 GLY n 2 21 TRP n 2 22 TYR n 2 23 GLY n 2 24 TYR n 2 25 HIS n 2 26 HIS n 2 27 SER n 2 28 ASN n 2 29 ASP n 2 30 GLN n 2 31 GLY n 2 32 SER n 2 33 GLY n 2 34 TYR n 2 35 ALA n 2 36 ALA n 2 37 ASP n 2 38 LYS n 2 39 GLU n 2 40 SER n 2 41 THR n 2 42 GLN n 2 43 LYS n 2 44 ALA n 2 45 PHE n 2 46 ASP n 2 47 GLY n 2 48 ILE n 2 49 THR n 2 50 ASN n 2 51 LYS n 2 52 VAL n 2 53 ASN n 2 54 SER n 2 55 VAL n 2 56 ILE n 2 57 GLU n 2 58 LYS n 2 59 MET n 2 60 ASN n 2 61 THR n 2 62 GLN n 2 63 PHE n 2 64 GLU n 2 65 ALA n 2 66 VAL n 2 67 GLY n 2 68 LYS n 2 69 GLU n 2 70 PHE n 2 71 SER n 2 72 ASN n 2 73 LEU n 2 74 GLU n 2 75 ARG n 2 76 ARG n 2 77 LEU n 2 78 GLU n 2 79 ASN n 2 80 LEU n 2 81 ASN n 2 82 LYS n 2 83 LYS n 2 84 MET n 2 85 GLU n 2 86 ASP n 2 87 GLY n 2 88 PHE n 2 89 LEU n 2 90 ASP n 2 91 VAL n 2 92 TRP n 2 93 THR n 2 94 TYR n 2 95 ASN n 2 96 ALA n 2 97 GLU n 2 98 LEU n 2 99 LEU n 2 100 VAL n 2 101 LEU n 2 102 MET n 2 103 GLU n 2 104 ASN n 2 105 GLU n 2 106 ARG n 2 107 THR n 2 108 LEU n 2 109 ASP n 2 110 PHE n 2 111 HIS n 2 112 ASP n 2 113 SER n 2 114 ASN n 2 115 VAL n 2 116 LYS n 2 117 ASN n 2 118 LEU n 2 119 TYR n 2 120 ASP n 2 121 LYS n 2 122 VAL n 2 123 ARG n 2 124 MET n 2 125 GLN n 2 126 LEU n 2 127 ARG n 2 128 ASP n 2 129 ASN n 2 130 VAL n 2 131 LYS n 2 132 GLU n 2 133 LEU n 2 134 GLY n 2 135 ASN n 2 136 GLY n 2 137 CYS n 2 138 PHE n 2 139 GLU n 2 140 PHE n 2 141 TYR n 2 142 HIS n 2 143 LYS n 2 144 CYS n 2 145 ASP n 2 146 ASP n 2 147 GLU n 2 148 CYS n 2 149 MET n 2 150 ASN n 2 151 SER n 2 152 VAL n 2 153 LYS n 2 154 ASN n 2 155 GLY n 2 156 THR n 2 157 TYR n 2 158 ASP n 2 159 TYR n 2 160 PRO n 2 161 LYS n 2 162 TYR n 2 163 GLU n 2 164 GLU n 2 165 GLU n 2 166 SER n 2 167 LYS n 2 168 LEU n 2 169 ASN n 2 170 ARG n 2 171 ASN n 2 172 GLU n 2 173 ILE n 2 174 LYS n 3 1 GLU n 3 2 VAL n 3 3 GLN n 3 4 LEU n 3 5 VAL n 3 6 GLU n 3 7 SER n 3 8 GLY n 3 9 ALA n 3 10 ASP n 3 11 MET n 3 12 LYS n 3 13 PRO n 3 14 PRO n 3 15 GLY n 3 16 SER n 3 17 SER n 3 18 VAL n 3 19 LYS n 3 20 VAL n 3 21 PRO n 3 22 CYS n 3 23 LYS n 3 24 ALA n 3 25 SER n 3 26 GLY n 3 27 ASP n 3 28 THR n 3 29 PHE n 3 30 SER n 3 31 SER n 3 32 TYR n 3 33 THR n 3 34 ILE n 3 35 THR n 3 36 TRP n 3 37 VAL n 3 38 ARG n 3 39 GLN n 3 40 ALA n 3 41 PRO n 3 42 GLY n 3 43 GLN n 3 44 GLY n 3 45 LEU n 3 46 GLU n 3 47 TRP n 3 48 MET n 3 49 GLY n 3 50 GLY n 3 51 ILE n 3 52 THR n 3 53 PRO n 3 54 ILE n 3 55 PHE n 3 56 GLY n 3 57 SER n 3 58 PRO n 3 59 ASN n 3 60 TYR n 3 61 ALA n 3 62 GLN n 3 63 ARG n 3 64 PHE n 3 65 GLN n 3 66 ASP n 3 67 ARG n 3 68 VAL n 3 69 ILE n 3 70 ILE n 3 71 THR n 3 72 ALA n 3 73 ASP n 3 74 GLU n 3 75 SER n 3 76 THR n 3 77 SER n 3 78 THR n 3 79 ALA n 3 80 TYR n 3 81 MET n 3 82 GLU n 3 83 VAL n 3 84 SER n 3 85 ASN n 3 86 LEU n 3 87 ARG n 3 88 SER n 3 89 GLU n 3 90 ASP n 3 91 THR n 3 92 ALA n 3 93 VAL n 3 94 TYR n 3 95 PHE n 3 96 CYS n 3 97 ALA n 3 98 ARG n 3 99 VAL n 3 100 GLY n 3 101 GLY n 3 102 GLU n 3 103 TRP n 3 104 GLY n 3 105 SER n 3 106 GLY n 3 107 ARG n 3 108 TYR n 3 109 TYR n 3 110 LEU n 3 111 ASP n 3 112 HIS n 3 113 TRP n 3 114 GLY n 3 115 GLN n 3 116 GLY n 3 117 THR n 3 118 LEU n 3 119 VAL n 3 120 THR n 3 121 VAL n 3 122 SER n 3 123 SER n 3 124 ALA n 3 125 SER n 3 126 THR n 3 127 LYS n 3 128 GLY n 3 129 PRO n 3 130 SER n 3 131 VAL n 3 132 PHE n 3 133 PRO n 3 134 LEU n 3 135 ALA n 3 136 PRO n 3 137 SER n 3 138 SER n 3 139 LYS n 3 140 SER n 3 141 THR n 3 142 SER n 3 143 GLY n 3 144 GLY n 3 145 THR n 3 146 ALA n 3 147 ALA n 3 148 LEU n 3 149 GLY n 3 150 CYS n 3 151 LEU n 3 152 VAL n 3 153 LYS n 3 154 ASP n 3 155 TYR n 3 156 PHE n 3 157 PRO n 3 158 GLU n 3 159 PRO n 3 160 VAL n 3 161 THR n 3 162 VAL n 3 163 SER n 3 164 TRP n 3 165 ASN n 3 166 SER n 3 167 GLY n 3 168 ALA n 3 169 LEU n 3 170 THR n 3 171 SER n 3 172 GLY n 3 173 VAL n 3 174 HIS n 3 175 THR n 3 176 PHE n 3 177 PRO n 3 178 ALA n 3 179 VAL n 3 180 LEU n 3 181 GLN n 3 182 SER n 3 183 SER n 3 184 GLY n 3 185 LEU n 3 186 TYR n 3 187 SER n 3 188 LEU n 3 189 SER n 3 190 SER n 3 191 VAL n 3 192 VAL n 3 193 THR n 3 194 VAL n 3 195 PRO n 3 196 SER n 3 197 SER n 3 198 SER n 3 199 LEU n 3 200 GLY n 3 201 THR n 3 202 GLN n 3 203 THR n 3 204 TYR n 3 205 ILE n 3 206 CYS n 3 207 ASN n 3 208 VAL n 3 209 ASN n 3 210 HIS n 3 211 LYS n 3 212 PRO n 3 213 SER n 3 214 ASN n 3 215 THR n 3 216 LYS n 3 217 VAL n 3 218 ASP n 3 219 LYS n 3 220 ARG n 3 221 VAL n 3 222 GLU n 3 223 PRO n 3 224 LYS n 3 225 SER n 3 226 CYS n 4 1 ASP n 4 2 ILE n 4 3 GLN n 4 4 LEU n 4 5 THR n 4 6 GLN n 4 7 SER n 4 8 PRO n 4 9 ALA n 4 10 SER n 4 11 LEU n 4 12 SER n 4 13 VAL n 4 14 SER n 4 15 PRO n 4 16 GLY n 4 17 GLU n 4 18 ARG n 4 19 ALA n 4 20 THR n 4 21 LEU n 4 22 SER n 4 23 CYS n 4 24 ARG n 4 25 ALA n 4 26 SER n 4 27 GLN n 4 28 SER n 4 29 VAL n 4 30 ALA n 4 31 GLY n 4 32 ASN n 4 33 LEU n 4 34 ALA n 4 35 TRP n 4 36 TYR n 4 37 GLN n 4 38 GLN n 4 39 LYS n 4 40 PRO n 4 41 GLY n 4 42 GLN n 4 43 ALA n 4 44 PRO n 4 45 ARG n 4 46 LEU n 4 47 LEU n 4 48 ILE n 4 49 TYR n 4 50 GLY n 4 51 ALA n 4 52 SER n 4 53 THR n 4 54 ARG n 4 55 ALA n 4 56 THR n 4 57 GLY n 4 58 ILE n 4 59 PRO n 4 60 ALA n 4 61 ARG n 4 62 PHE n 4 63 SER n 4 64 GLY n 4 65 SER n 4 66 GLY n 4 67 SER n 4 68 GLY n 4 69 THR n 4 70 GLU n 4 71 PHE n 4 72 THR n 4 73 LEU n 4 74 THR n 4 75 ILE n 4 76 THR n 4 77 SER n 4 78 LEU n 4 79 GLN n 4 80 SER n 4 81 GLU n 4 82 ASP n 4 83 PHE n 4 84 ALA n 4 85 VAL n 4 86 TYR n 4 87 TYR n 4 88 CYS n 4 89 GLN n 4 90 GLN n 4 91 TYR n 4 92 ASN n 4 93 ASN n 4 94 TRP n 4 95 PRO n 4 96 PRO n 4 97 TRP n 4 98 THR n 4 99 PHE n 4 100 GLY n 4 101 GLN n 4 102 GLY n 4 103 THR n 4 104 LYS n 4 105 VAL n 4 106 ASP n 4 107 ILE n 4 108 LYS n 4 109 ARG n 4 110 THR n 4 111 VAL n 4 112 ALA n 4 113 ALA n 4 114 PRO n 4 115 SER n 4 116 VAL n 4 117 PHE n 4 118 ILE n 4 119 PHE n 4 120 PRO n 4 121 PRO n 4 122 SER n 4 123 ASP n 4 124 GLU n 4 125 GLN n 4 126 LEU n 4 127 LYS n 4 128 SER n 4 129 GLY n 4 130 THR n 4 131 ALA n 4 132 SER n 4 133 VAL n 4 134 VAL n 4 135 CYS n 4 136 LEU n 4 137 LEU n 4 138 ASN n 4 139 ASN n 4 140 PHE n 4 141 TYR n 4 142 PRO n 4 143 ARG n 4 144 GLU n 4 145 ALA n 4 146 LYS n 4 147 VAL n 4 148 GLN n 4 149 TRP n 4 150 LYS n 4 151 VAL n 4 152 ASP n 4 153 ASN n 4 154 ALA n 4 155 LEU n 4 156 GLN n 4 157 SER n 4 158 GLY n 4 159 ASN n 4 160 SER n 4 161 GLN n 4 162 GLU n 4 163 SER n 4 164 VAL n 4 165 THR n 4 166 GLU n 4 167 GLN n 4 168 ASP n 4 169 SER n 4 170 LYS n 4 171 ASP n 4 172 SER n 4 173 THR n 4 174 TYR n 4 175 SER n 4 176 LEU n 4 177 SER n 4 178 SER n 4 179 THR n 4 180 LEU n 4 181 THR n 4 182 LEU n 4 183 SER n 4 184 LYS n 4 185 ALA n 4 186 ASP n 4 187 TYR n 4 188 GLU n 4 189 LYS n 4 190 HIS n 4 191 LYS n 4 192 VAL n 4 193 TYR n 4 194 ALA n 4 195 CYS n 4 196 GLU n 4 197 VAL n 4 198 THR n 4 199 HIS n 4 200 GLN n 4 201 GLY n 4 202 LEU n 4 203 SER n 4 204 SER n 4 205 PRO n 4 206 VAL n 4 207 THR n 4 208 LYS n 4 209 SER n 4 210 PHE n 4 211 ASN n 4 212 ARG n 4 213 GLY n 4 214 GLU n 4 215 CYS 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 ? ? ? ? ? HA ? 'A/Japan/305+/1957(H2N2)' ? ? ? ? 'Influenza A virus' 382813 ? ? ? ? ? ? ? 'cabbage looper' 'Trichoplusia ni' 7111 ? ? ? ? ? ? ? ? Hi5 ? ? ? ? ? 'Autographa Californica Nucleopolyhedrovirus' ? ? ? pFastBac ? ? 2 1 sample ? ? ? ? ? HA ? 'A/Japan/305+/1957(H2N2)' ? ? ? ? 'Influenza A virus' 382813 ? ? ? ? ? ? ? 'cabbage looper' 'Trichoplusia ni' 7111 ? ? ? ? ? ? ? ? Hi5 ? ? ? ? ? 'Autographa Californica Nucleopolyhedrovirus' ? ? ? pFastBac ? ? 3 1 sample ? ? ? human ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? human 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'HEK 293F' ? ? ? ? ? Plasmid ? ? ? pEE6.4 ? ? 4 1 sample ? ? ? human ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? human 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'HEK 293F' ? ? ? ? ? Plasmid ? ? ? pEE12.4 ? ? # 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 Q67085_9INFA Q67085 1 ;GDQICIGYHANNSTEKVDTILERNVTVTHAKDILEKTHNGKLCKLNGIPPLELGDCSIAGWLLGNPECDRLLSVPEWSYI MEKENPRDGLCYPGSFNDYEELKYLLSSVKHFEKVKILPKDRWTQHTTTGGSRACAVSGNPSFFRNMVWLTKKGSDYPVA KGSYNNTSGEQMLIIWGVHHPNDETEQRTLYQNVGTYVSVGTSTLNKRSTPEIATRPKVNGLGSRMEFSWTLLDMWDTIN FESTGNLIAPEYGFKISKRGSSGIMKTEGTLENCETKCQTPLGAINTTLPFHNVHPLTIGECPRYVKSEKLVLATGLRNV PQIESR ; 15 ? 2 UNP Q67085_9INFA Q67085 2 ;GLFGAIAGFIEGGWQGMVDGWYGYHHSNDQGSGYAADKESTQKAFDGITNKVNSVIEKMNTQFEAVGKEFSNLERRLENL NKKMEDGFLDVWTYNAELLVLMENERTLDFHDSNVKNLYDKVRMQLRDNVKELGNGCFEFYHKCDDECMNSVKNGTYDYP KYEEESKLNRNEIK ; 341 ? 3 PDB 4HFU 4HFU 3 ;EVQLVESGADMKPPGSSVKVPCKASGDTFSSYTITWVRQAPGQGLEWMGGITPIFGSPNYAQRFQDRVIITADESTSTAY MEVSNLRSEDTAVYFCARVGGEWGSGRYYLDHWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPV TVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSC ; 1 ? 4 PDB 4HFU 4HFU 4 ;DIQLTQSPASLSVSPGERATLSCRASQSVAGNLAWYQQKPGQAPRLLIYGASTRATGIPARFSGSGSGTEFTLTITSLQS EDFAVYYCQQYNNWPPWTFGQGTKVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNS QESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC ; 1 ? # 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 4HFU A 2 ? 327 ? Q67085 15 ? 340 ? 10 329 2 2 4HFU B 1 ? 174 ? Q67085 341 ? 514 ? 1 174 3 3 4HFU H 1 ? 226 ? 4HFU 1 ? 216 ? 1 216 4 4 4HFU L 1 ? 215 ? 4HFU 1 ? 214 ? 1 214 # _struct_ref_seq_dif.align_id 1 _struct_ref_seq_dif.pdbx_pdb_id_code 4HFU _struct_ref_seq_dif.mon_id PRO _struct_ref_seq_dif.pdbx_pdb_strand_id A _struct_ref_seq_dif.seq_num 1 _struct_ref_seq_dif.pdbx_pdb_ins_code ? _struct_ref_seq_dif.pdbx_seq_db_name UNP _struct_ref_seq_dif.pdbx_seq_db_accession_code Q67085 _struct_ref_seq_dif.db_mon_id ? _struct_ref_seq_dif.pdbx_seq_db_seq_num ? _struct_ref_seq_dif.details 'EXPRESSION TAG' _struct_ref_seq_dif.pdbx_auth_seq_num 9 _struct_ref_seq_dif.pdbx_ordinal 1 # 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 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 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 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 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 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.crystals_number 1 _exptl.entry_id 4HFU _exptl.method 'X-RAY DIFFRACTION' # _exptl_crystal.id 1 _exptl_crystal.density_Matthews 4.17 _exptl_crystal.density_meas ? _exptl_crystal.density_percent_sol 70.47 _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.pH 8.0 _exptl_crystal_grow.temp 293.2 _exptl_crystal_grow.pdbx_details '10% PEG6000, 0.1 M Na citrate, pH 4 and 1 M LiCl, vapor diffusion, sitting drop, temperature 293.2K' _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pdbx_pH_range ? # _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 300 mm CCD' _diffrn_detector.pdbx_collection_date 2011-06-16 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.monochromator ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.0332 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'APS BEAMLINE 23-ID-B' _diffrn_source.pdbx_wavelength_list 1.0332 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_site APS _diffrn_source.pdbx_synchrotron_beamline 23-ID-B # _reflns.entry_id 4HFU _reflns.d_resolution_high 3.100 _reflns.d_resolution_low 45.000 _reflns.number_obs 30241 _reflns.pdbx_Rmerge_I_obs 0.118 _reflns.pdbx_netI_over_sigmaI 9.700 _reflns.pdbx_chi_squared 1.031 _reflns.pdbx_redundancy 9.200 _reflns.percent_possible_obs 94.600 _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.number_all ? _reflns.pdbx_Rsym_value ? _reflns.B_iso_Wilson_estimate ? _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_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # loop_ _reflns_shell.d_res_high _reflns_shell.d_res_low _reflns_shell.number_measured_obs _reflns_shell.number_measured_all _reflns_shell.number_unique_obs _reflns_shell.Rmerge_I_obs _reflns_shell.meanI_over_sigI_obs _reflns_shell.pdbx_Rsym_value _reflns_shell.pdbx_chi_squared _reflns_shell.pdbx_redundancy _reflns_shell.percent_possible_obs _reflns_shell.number_unique_all _reflns_shell.percent_possible_all _reflns_shell.pdbx_ordinal _reflns_shell.pdbx_diffrn_id 3.100 3.210 ? ? ? 0.315 ? ? 1.008 5.900 ? 1985 63.000 1 1 3.210 3.340 ? ? ? 0.303 ? ? 1.066 6.100 ? 2671 85.100 2 1 3.340 3.490 ? ? ? 0.358 ? ? 1.082 7.400 ? 3105 98.400 3 1 3.490 3.680 ? ? ? 0.307 ? ? 1.096 9.200 ? 3175 100.000 4 1 3.680 3.910 ? ? ? 0.253 ? ? 1.053 10.100 ? 3142 100.000 5 1 3.910 4.210 ? ? ? 0.174 ? ? 0.955 10.400 ? 3171 100.000 6 1 4.210 4.630 ? ? ? 0.115 ? ? 0.999 10.400 ? 3187 100.000 7 1 4.630 5.300 ? ? ? 0.092 ? ? 0.986 10.400 ? 3212 100.000 8 1 5.300 6.670 ? ? ? 0.084 ? ? 1.052 10.300 ? 3237 100.000 9 1 6.670 45.000 ? ? ? 0.054 ? ? 1.044 9.800 ? 3356 99.100 10 1 # _refine.entry_id 4HFU _refine.ls_d_res_high 3.1060 _refine.ls_d_res_low 41.8980 _refine.pdbx_ls_sigma_F 0.000 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.ls_percent_reflns_obs 85.4100 _refine.ls_number_reflns_obs 27299 _refine.ls_number_reflns_all ? _refine.pdbx_ls_cross_valid_method ? _refine.pdbx_R_Free_selection_details ? _refine.details ? _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.1953 _refine.ls_R_factor_R_work 0.1925 _refine.ls_wR_factor_R_work ? _refine.ls_R_factor_R_free 0.2505 _refine.ls_wR_factor_R_free ? _refine.ls_percent_reflns_R_free 5.0300 _refine.ls_number_reflns_R_free 1373 _refine.ls_R_factor_R_free_error ? _refine.B_iso_mean 63.0562 _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.pdbx_isotropic_thermal_model ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.2800 _refine.overall_SU_B ? _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.pdbx_solvent_vdw_probe_radii 1.1100 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.9000 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.overall_FOM_work_R_set 0.8378 _refine.B_iso_max 279.540 _refine.B_iso_min 13.890 _refine.pdbx_overall_phase_error 22.9200 _refine.occupancy_max 1.000 _refine.occupancy_min 0.000 _refine.pdbx_ls_sigma_I ? _refine.ls_redundancy_reflns_obs ? _refine.ls_R_factor_R_free_error_details ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.overall_FOM_free_R_set ? _refine.pdbx_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 7211 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 28 _refine_hist.number_atoms_solvent 0 _refine_hist.number_atoms_total 7239 _refine_hist.d_res_high 3.1060 _refine_hist.d_res_low 41.8980 # loop_ _refine_ls_restr.type _refine_ls_restr.number _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function _refine_ls_restr.pdbx_refine_id f_bond_d 7423 0.003 ? ? ? 'X-RAY DIFFRACTION' f_angle_d 10083 0.753 ? ? ? 'X-RAY DIFFRACTION' f_chiral_restr 1103 0.053 ? ? ? 'X-RAY DIFFRACTION' f_plane_restr 1300 0.004 ? ? ? 'X-RAY DIFFRACTION' f_dihedral_angle_d 2718 16.998 ? ? ? 'X-RAY DIFFRACTION' # loop_ _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.percent_reflns_obs _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_R_work _refine_ls_shell.R_factor_R_free _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.number_reflns_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.pdbx_refine_id 3.1058 3.2168 10 12.0000 361 . 0.2591 0.2470 . 24 . 385 . . 'X-RAY DIFFRACTION' 3.2168 3.3456 10 45.0000 1326 . 0.2514 0.3519 . 79 . 1405 . . 'X-RAY DIFFRACTION' 3.3456 3.4977 10 96.0000 2882 . 0.2632 0.3455 . 141 . 3023 . . 'X-RAY DIFFRACTION' 3.4977 3.6821 10 100.0000 3001 . 0.2282 0.2833 . 161 . 3162 . . 'X-RAY DIFFRACTION' 3.6821 3.9126 10 100.0000 2994 . 0.2056 0.2594 . 162 . 3156 . . 'X-RAY DIFFRACTION' 3.9126 4.2144 10 100.0000 3036 . 0.1797 0.2393 . 140 . 3176 . . 'X-RAY DIFFRACTION' 4.2144 4.6380 10 100.0000 3027 . 0.1513 0.2091 . 162 . 3189 . . 'X-RAY DIFFRACTION' 4.6380 5.3080 10 100.0000 3032 . 0.1520 0.2199 . 173 . 3205 . . 'X-RAY DIFFRACTION' 5.3080 6.6832 10 100.0000 3076 . 0.1820 0.2291 . 165 . 3241 . . 'X-RAY DIFFRACTION' 6.6832 41.9022 10 99.0000 3191 . 0.1851 0.2312 . 166 . 3357 . . 'X-RAY DIFFRACTION' # _struct.entry_id 4HFU _struct.title 'Crystal structure of Fab 8M2 in complex with a H2N2 influenza virus hemagglutinin' _struct.pdbx_descriptor 'Hemagglutinin HA1, Hemagglutinin HA2, Fab 8M2 heavy chain, Fab 8M2 light chain' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4HFU _struct_keywords.text 'VIRAL PROTEIN/IMMUNE SYSTEM, VIRAL PROTEIN-IMMUNE SYSTEM complex' _struct_keywords.pdbx_keywords 'VIRAL PROTEIN/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 5 ? F N N 5 ? # _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 58 ? GLY A 65 ? SER A 65 GLY A 72 1 ? 8 HELX_P HELX_P2 2 ASP A 99 ? LEU A 107 ? ASP A 104 LEU A 112 1 ? 9 HELX_P HELX_P3 3 PRO A 120 ? TRP A 124 ? PRO A 122 TRP A 127 5 ? 5 HELX_P HELX_P4 4 ASP A 184 ? GLN A 193 ? ASP A 187 GLN A 196 1 ? 10 HELX_P HELX_P5 5 ASP B 37 ? LYS B 58 ? ASP B 37 LYS B 58 1 ? 22 HELX_P HELX_P6 6 GLU B 74 ? ARG B 127 ? GLU B 74 ARG B 127 1 ? 54 HELX_P HELX_P7 7 ASP B 145 ? ASN B 154 ? ASP B 145 ASN B 154 1 ? 10 HELX_P HELX_P8 8 ASP B 158 ? ASN B 171 ? ASP B 158 ASN B 171 1 ? 14 HELX_P HELX_P9 9 ARG C 87 ? THR C 91 ? ARG H 83 THR H 87 5 ? 5 HELX_P HELX_P10 10 SER C 166 ? ALA C 168 ? SER H 156 ALA H 158 5 ? 3 HELX_P HELX_P11 11 SER C 197 ? LEU C 199 ? SER H 187 LEU H 189 5 ? 3 HELX_P HELX_P12 12 LYS C 211 ? ASN C 214 ? LYS H 201 ASN H 204 5 ? 4 HELX_P HELX_P13 13 SER D 122 ? LYS D 127 ? SER L 121 LYS L 126 1 ? 6 HELX_P HELX_P14 14 LYS D 184 ? LYS D 189 ? LYS L 183 LYS L 188 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 6 SG ? ? ? 1_555 B CYS 137 SG ? ? A CYS 14 B CYS 137 1_555 ? ? ? ? ? ? ? 2.058 ? disulf2 disulf ? ? A CYS 44 SG ? ? ? 1_555 A CYS 275 SG ? ? A CYS 52 A CYS 277 1_555 ? ? ? ? ? ? ? 2.029 ? disulf3 disulf ? ? A CYS 57 SG ? ? ? 1_555 A CYS 69 SG ? ? A CYS 64 A CYS 76 1_555 ? ? ? ? ? ? ? 2.031 ? disulf4 disulf ? ? A CYS 92 SG ? ? ? 1_555 A CYS 136 SG ? ? A CYS 97 A CYS 139 1_555 ? ? ? ? ? ? ? 2.031 ? disulf5 disulf ? ? A CYS 279 SG ? ? ? 1_555 A CYS 303 SG ? ? A CYS 281 A CYS 305 1_555 ? ? ? ? ? ? ? 2.031 ? disulf6 disulf ? ? B CYS 144 SG ? ? ? 1_555 B CYS 148 SG ? ? B CYS 144 B CYS 148 1_555 ? ? ? ? ? ? ? 2.032 ? disulf7 disulf ? ? C CYS 22 SG ? ? ? 1_555 C CYS 96 SG ? ? H CYS 22 H CYS 92 1_555 ? ? ? ? ? ? ? 2.031 ? disulf8 disulf ? ? C CYS 150 SG ? ? ? 1_555 C CYS 206 SG ? ? H CYS 140 H CYS 196 1_555 ? ? ? ? ? ? ? 2.032 ? disulf9 disulf ? ? D CYS 23 SG ? ? ? 1_555 D CYS 88 SG ? ? L CYS 23 L CYS 88 1_555 ? ? ? ? ? ? ? 2.043 ? disulf10 disulf ? ? D CYS 135 SG ? ? ? 1_555 D CYS 195 SG ? ? L CYS 134 L CYS 194 1_555 ? ? ? ? ? ? ? 2.035 ? covale1 covale ? ? A ASN 166 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 169 A NAG 401 1_555 ? ? ? ? ? ? ? 1.438 ? covale2 covale ? ? E NAG . O4 ? ? ? 1_555 F NAG . C1 ? ? A NAG 401 A NAG 402 1_555 ? ? ? ? ? ? ? 1.439 ? # 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 PHE 156 C . ? PHE 146 H PRO 157 C ? PRO 147 H 1 -3.82 2 GLU 158 C . ? GLU 148 H PRO 159 C ? PRO 149 H 1 0.38 3 SER 7 D . ? SER 7 L PRO 8 D ? PRO 8 L 1 3.55 4 TRP 94 D . ? TRP 94 L PRO 95 D ? PRO 95 L 1 -1.36 5 TYR 141 D . ? TYR 140 L PRO 142 D ? PRO 141 L 1 1.14 6 SER 204 D . ? SER 203 L PRO 205 D ? PRO 204 L 1 -7.47 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 5 ? B ? 2 ? C ? 2 ? D ? 3 ? E ? 2 ? F ? 3 ? G ? 5 ? H ? 5 ? I ? 2 ? J ? 4 ? K ? 4 ? L ? 4 ? M ? 6 ? N ? 4 ? O ? 4 ? P ? 4 ? Q ? 3 ? R ? 2 ? S ? 5 ? T ? 3 ? U ? 4 ? V ? 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 B 1 2 ? anti-parallel C 1 2 ? anti-parallel D 1 2 ? parallel D 2 3 ? parallel E 1 2 ? parallel F 1 2 ? parallel F 2 3 ? parallel G 1 2 ? parallel G 2 3 ? anti-parallel G 3 4 ? anti-parallel G 4 5 ? anti-parallel H 1 2 ? parallel H 2 3 ? anti-parallel H 3 4 ? anti-parallel H 4 5 ? anti-parallel I 1 2 ? anti-parallel J 1 2 ? anti-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 L 1 2 ? anti-parallel L 2 3 ? anti-parallel L 3 4 ? anti-parallel M 1 2 ? parallel M 2 3 ? anti-parallel M 3 4 ? anti-parallel M 4 5 ? anti-parallel M 5 6 ? anti-parallel N 1 2 ? parallel N 2 3 ? anti-parallel N 3 4 ? anti-parallel O 1 2 ? anti-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 R 1 2 ? anti-parallel S 1 2 ? parallel S 2 3 ? anti-parallel S 3 4 ? anti-parallel S 4 5 ? anti-parallel T 1 2 ? anti-parallel T 2 3 ? 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 # 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 GLY B 33 ? ALA B 36 ? GLY B 33 ALA B 36 A 2 TYR B 22 ? SER B 27 ? TYR B 22 SER B 27 A 3 ASP A 3 ? TYR A 9 ? ASP A 11 TYR A 17 A 4 CYS B 137 ? PHE B 140 ? CYS B 137 PHE B 140 A 5 VAL B 130 ? GLU B 132 ? VAL B 130 GLU B 132 B 1 LYS A 17 ? VAL A 18 ? LYS A 25 VAL A 26 B 2 VAL A 26 ? THR A 27 ? VAL A 34 THR A 35 C 1 ALA A 31 ? ASP A 33 ? ALA A 39 ASP A 41 C 2 VAL A 313 ? ALA A 315 ? VAL A 315 ALA A 317 D 1 LEU A 35 ? GLU A 36 ? LEU A 43 GLU A 44 D 2 PHE A 292 ? HIS A 293 ? PHE A 294 HIS A 295 D 3 ARG A 305 ? TYR A 306 ? ARG A 307 TYR A 308 E 1 LYS A 45 ? LEU A 46 A LYS A 53 LEU A 53 E 2 GLU A 276 ? THR A 277 ? GLU A 278 THR A 279 F 1 LEU A 52 ? GLU A 53 ? LEU A 59 GLU A 60 F 2 ILE A 81 ? GLU A 83 ? ILE A 87 GLU A 89 F 3 ILE A 265 ? LYS A 267 ? ILE A 267 LYS A 269 G 1 GLY A 95 ? PHE A 97 ? GLY A 100 PHE A 102 G 2 ARG A 226 ? LEU A 234 ? ARG A 229 LEU A 237 G 3 GLN A 172 ? HIS A 181 ? GLN A 175 HIS A 184 G 4 TYR A 253 ? SER A 258 ? TYR A 256 SER A 261 G 5 HIS A 112 A LYS A 117 ? HIS A 116 LYS A 119 H 1 GLY A 95 ? PHE A 97 ? GLY A 100 PHE A 102 H 2 ARG A 226 ? LEU A 234 ? ARG A 229 LEU A 237 H 3 GLN A 172 ? HIS A 181 ? GLN A 175 HIS A 184 H 4 LEU A 248 ? PRO A 251 ? LEU A 251 PRO A 254 H 5 MET A 148 ? TRP A 150 ? MET A 151 TRP A 153 I 1 SER A 133 ? VAL A 138 ? SER A 136 VAL A 141 I 2 ASN A 141 ? SER A 143 ? ASN A 144 SER A 146 J 1 ALA A 161 ? ASN A 166 ? ALA A 164 ASN A 169 J 2 THR A 239 ? SER A 244 ? THR A 242 SER A 247 J 3 VAL A 199 ? GLY A 202 ? VAL A 202 GLY A 205 J 4 ASN A 207 ? SER A 210 ? ASN A 210 SER A 213 K 1 GLY A 284 ? ILE A 286 ? GLY A 286 ILE A 288 K 2 CYS A 279 ? THR A 281 ? CYS A 281 THR A 283 K 3 ILE A 300 ? GLU A 302 ? ILE A 302 GLU A 304 K 4 PHE B 63 ? ALA B 65 ? PHE B 63 ALA B 65 L 1 GLN C 3 ? GLU C 6 ? GLN H 3 GLU H 6 L 2 VAL C 18 ? SER C 25 ? VAL H 18 SER H 25 L 3 THR C 78 ? VAL C 83 ? THR H 77 VAL H 82 L 4 VAL C 68 ? ASP C 73 ? VAL H 67 ASP H 72 M 1 ASP C 10 ? LYS C 12 ? ASP H 10 LYS H 12 M 2 LEU C 118 ? VAL C 121 ? LEU H 108 VAL H 111 M 3 ALA C 92 ? VAL C 99 ? ALA H 88 VAL H 95 M 4 ILE C 34 ? GLN C 39 ? ILE H 34 GLN H 39 M 5 GLU C 46 ? THR C 52 ? GLU H 46 THR H 52 M 6 GLY C 56 ? TYR C 60 ? GLY H 55 TYR H 59 N 1 ASP C 10 ? LYS C 12 ? ASP H 10 LYS H 12 N 2 LEU C 118 ? VAL C 121 ? LEU H 108 VAL H 111 N 3 ALA C 92 ? VAL C 99 ? ALA H 88 VAL H 95 N 4 LEU C 110 F HIS C 112 ? LEU H 100 HIS H 102 O 1 SER C 130 ? LEU C 134 ? SER H 120 LEU H 124 O 2 THR C 145 ? TYR C 155 ? THR H 135 TYR H 145 O 3 TYR C 186 ? PRO C 195 ? TYR H 176 PRO H 185 O 4 HIS C 174 ? THR C 175 ? HIS H 164 THR H 165 P 1 THR C 141 ? SER C 142 ? THR H 131 SER H 132 P 2 THR C 145 ? TYR C 155 ? THR H 135 TYR H 145 P 3 TYR C 186 ? PRO C 195 ? TYR H 176 PRO H 185 P 4 VAL C 179 ? LEU C 180 ? VAL H 169 LEU H 170 Q 1 THR C 161 ? TRP C 164 ? THR H 151 TRP H 154 Q 2 TYR C 204 ? HIS C 210 ? TYR H 194 HIS H 200 Q 3 THR C 215 ? VAL C 221 ? THR H 205 VAL H 211 R 1 LEU D 4 ? GLN D 6 ? LEU L 4 GLN L 6 R 2 CYS D 23 ? ALA D 25 ? CYS L 23 ALA L 25 S 1 SER D 10 ? VAL D 13 ? SER L 10 VAL L 13 S 2 THR D 103 ? ILE D 107 ? THR L 102 ILE L 106 S 3 VAL D 85 ? GLN D 90 ? VAL L 85 GLN L 90 S 4 LEU D 33 ? GLN D 38 ? LEU L 33 GLN L 38 S 5 ARG D 45 ? ILE D 48 ? ARG L 45 ILE L 48 T 1 ALA D 19 ? LEU D 21 ? ALA L 19 LEU L 21 T 2 GLU D 70 ? ILE D 75 ? GLU L 70 ILE L 75 T 3 PHE D 62 ? SER D 67 ? PHE L 62 SER L 67 U 1 SER D 115 ? PHE D 119 ? SER L 114 PHE L 118 U 2 THR D 130 ? PHE D 140 ? THR L 129 PHE L 139 U 3 TYR D 174 ? SER D 183 ? TYR L 173 SER L 182 U 4 GLU D 162 ? VAL D 164 ? GLU L 161 VAL L 163 V 1 ALA D 154 ? LEU D 155 ? ALA L 153 LEU L 154 V 2 LYS D 146 ? VAL D 151 ? LYS L 145 VAL L 150 V 3 VAL D 192 ? THR D 198 ? VAL L 191 THR L 197 V 4 THR D 207 ? ASN D 211 ? THR L 206 ASN L 210 # 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 ALA B 35 ? O ALA B 35 N TYR B 24 ? N TYR B 24 A 2 3 O SER B 27 ? O SER B 27 N GLN A 4 ? N GLN A 12 A 3 4 N ASP A 3 ? N ASP A 11 O PHE B 140 ? O PHE B 140 A 4 5 O GLU B 139 ? O GLU B 139 N LYS B 131 ? N LYS B 131 B 1 2 N VAL A 18 ? N VAL A 26 O VAL A 26 ? O VAL A 34 C 1 2 N LYS A 32 ? N LYS A 40 O LEU A 314 ? O LEU A 316 D 1 2 N GLU A 36 ? N GLU A 44 O PHE A 292 ? O PHE A 294 D 2 3 N HIS A 293 ? N HIS A 295 O ARG A 305 ? O ARG A 307 E 1 2 N LYS A 45 ? N LYS A 53 O THR A 277 ? O THR A 279 F 1 2 N LEU A 52 ? N LEU A 59 O MET A 82 ? O MET A 88 F 2 3 N ILE A 81 ? N ILE A 87 O MET A 266 ? O MET A 268 G 1 2 N SER A 96 ? N SER A 101 O PHE A 229 ? O PHE A 232 G 2 3 O LEU A 234 ? O LEU A 237 N MET A 173 ? N MET A 176 G 3 4 N LEU A 174 ? N LEU A 177 O PHE A 255 ? O PHE A 258 G 4 5 O GLY A 254 ? O GLY A 257 N VAL A 116 ? N VAL A 118 H 1 2 N SER A 96 ? N SER A 101 O PHE A 229 ? O PHE A 232 H 2 3 O LEU A 234 ? O LEU A 237 N MET A 173 ? N MET A 176 H 3 4 N GLY A 178 ? N GLY A 181 O ILE A 249 ? O ILE A 252 H 4 5 O ALA A 250 ? O ALA A 253 N VAL A 149 ? N VAL A 152 I 1 2 N SER A 133 ? N SER A 136 O SER A 143 ? O SER A 146 J 1 2 N GLY A 163 ? N GLY A 166 O PHE A 242 ? O PHE A 245 J 2 3 O GLU A 243 ? O GLU A 246 N SER A 200 ? N SER A 203 J 3 4 N VAL A 199 ? N VAL A 202 O SER A 210 ? O SER A 213 K 1 2 O GLY A 284 ? O GLY A 286 N THR A 281 ? N THR A 283 K 2 3 N GLN A 280 ? N GLN A 282 O ILE A 300 ? O ILE A 302 K 3 4 N GLY A 301 ? N GLY A 303 O GLU B 64 ? O GLU B 64 L 1 2 N GLN C 3 ? N GLN H 3 O SER C 25 ? O SER H 25 L 2 3 N CYS C 22 ? N CYS H 22 O ALA C 79 ? O ALA H 78 L 3 4 O GLU C 82 ? O GLU H 81 N ILE C 69 ? N ILE H 68 M 1 2 N ASP C 10 ? N ASP H 10 O LEU C 118 ? O LEU H 108 M 2 3 O VAL C 119 ? O VAL H 109 N ALA C 92 ? N ALA H 88 M 3 4 O ALA C 97 ? O ALA H 93 N THR C 35 ? N THR H 35 M 4 5 N TRP C 36 ? N TRP H 36 O MET C 48 ? O MET H 48 M 5 6 N GLY C 50 ? N GLY H 50 O ASN C 59 ? O ASN H 58 N 1 2 N ASP C 10 ? N ASP H 10 O LEU C 118 ? O LEU H 108 N 2 3 O VAL C 119 ? O VAL H 109 N ALA C 92 ? N ALA H 88 N 3 4 N ARG C 98 ? N ARG H 94 O HIS C 112 ? O HIS H 102 O 1 2 N PHE C 132 ? N PHE H 122 O LEU C 151 ? O LEU H 141 O 2 3 N LEU C 148 ? N LEU H 138 O VAL C 192 ? O VAL H 182 O 3 4 O VAL C 191 ? O VAL H 181 N HIS C 174 ? N HIS H 164 P 1 2 N SER C 142 ? N SER H 132 O THR C 145 ? O THR H 135 P 2 3 N LEU C 148 ? N LEU H 138 O VAL C 192 ? O VAL H 182 P 3 4 O SER C 187 ? O SER H 177 N VAL C 179 ? N VAL H 169 Q 1 2 N SER C 163 ? N SER H 153 O ASN C 207 ? O ASN H 197 Q 2 3 N VAL C 208 ? N VAL H 198 O VAL C 217 ? O VAL H 207 R 1 2 N THR D 5 ? N THR L 5 O ARG D 24 ? O ARG L 24 S 1 2 N LEU D 11 ? N LEU L 11 O LYS D 104 ? O LYS L 103 S 2 3 O THR D 103 ? O THR L 102 N TYR D 86 ? N TYR L 86 S 3 4 O VAL D 85 ? O VAL L 85 N GLN D 38 ? N GLN L 38 S 4 5 N GLN D 37 ? N GLN L 37 O ARG D 45 ? O ARG L 45 T 1 2 N LEU D 21 ? N LEU L 21 O LEU D 73 ? O LEU L 73 T 2 3 O THR D 74 ? O THR L 74 N SER D 63 ? N SER L 63 U 1 2 N PHE D 117 ? N PHE L 116 O LEU D 136 ? O LEU L 135 U 2 3 N LEU D 137 ? N LEU L 136 O LEU D 176 ? O LEU L 175 U 3 4 O SER D 177 ? O SER L 176 N SER D 163 ? N SER L 162 V 1 2 O ALA D 154 ? O ALA L 153 N VAL D 151 ? N VAL L 150 V 2 3 N LYS D 150 ? N LYS L 149 O ALA D 194 ? O ALA L 193 V 3 4 N TYR D 193 ? N TYR L 192 O PHE D 210 ? O PHE L 209 # _struct_site.id AC1 _struct_site.pdbx_evidence_code Software _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 2 _struct_site.details 'BINDING SITE FOR LINKED RESIDUES A 401 to 402' # 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 2 ASN A 166 ? ASN A 169 . ? 1_555 ? 2 AC1 2 TRP A 237 ? TRP A 240 . ? 1_555 ? # _atom_sites.entry_id 4HFU _atom_sites.fract_transf_matrix[1][1] 0.007717 _atom_sites.fract_transf_matrix[1][2] 0.004455 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.008910 _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] 0.001863 _atom_sites.fract_transf_vector[1] 0.000000 _atom_sites.fract_transf_vector[2] 0.000000 _atom_sites.fract_transf_vector[3] 0.000000 # loop_ _atom_type.symbol C 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 . PRO A 1 1 ? 9.860 21.521 155.044 1.00 113.15 ? 9 PRO A N 1 ATOM 2 C CA . PRO A 1 1 ? 8.980 20.710 154.196 1.00 112.02 ? 9 PRO A CA 1 ATOM 3 C C . PRO A 1 1 ? 9.405 19.246 154.185 1.00 108.74 ? 9 PRO A C 1 ATOM 4 O O . PRO A 1 1 ? 10.069 18.786 155.114 1.00 113.76 ? 9 PRO A O 1 ATOM 5 C CB . PRO A 1 1 ? 9.183 21.317 152.804 1.00 106.28 ? 9 PRO A CB 1 ATOM 6 C CG . PRO A 1 1 ? 9.646 22.707 153.056 1.00 104.39 ? 9 PRO A CG 1 ATOM 7 C CD . PRO A 1 1 ? 10.480 22.629 154.298 1.00 109.82 ? 9 PRO A CD 1 ATOM 8 N N . GLY A 1 2 ? 9.016 18.525 153.140 1.00 83.53 ? 10 GLY A N 1 ATOM 9 C CA . GLY A 1 2 ? 9.453 17.154 152.957 1.00 71.13 ? 10 GLY A CA 1 ATOM 10 C C . GLY A 1 2 ? 10.534 17.075 151.898 1.00 63.96 ? 10 GLY A C 1 ATOM 11 O O . GLY A 1 2 ? 10.738 18.024 151.144 1.00 71.79 ? 10 GLY A O 1 ATOM 12 N N . ASP A 1 3 ? 11.235 15.947 151.846 1.00 55.62 ? 11 ASP A N 1 ATOM 13 C CA . ASP A 1 3 ? 12.254 15.729 150.824 1.00 66.87 ? 11 ASP A CA 1 ATOM 14 C C . ASP A 1 3 ? 11.664 14.971 149.642 1.00 67.09 ? 11 ASP A C 1 ATOM 15 O O . ASP A 1 3 ? 10.923 14.004 149.823 1.00 66.20 ? 11 ASP A O 1 ATOM 16 C CB . ASP A 1 3 ? 13.452 14.976 151.405 1.00 79.51 ? 11 ASP A CB 1 ATOM 17 C CG . ASP A 1 3 ? 14.325 15.856 152.279 1.00 88.87 ? 11 ASP A CG 1 ATOM 18 O OD1 . ASP A 1 3 ? 13.869 16.950 152.671 1.00 99.53 ? 11 ASP A OD1 1 ATOM 19 O OD2 . ASP A 1 3 ? 15.468 15.452 152.576 1.00 85.52 ? 11 ASP A OD2 1 ATOM 20 N N . GLN A 1 4 ? 11.995 15.410 148.432 1.00 65.26 ? 12 GLN A N 1 ATOM 21 C CA . GLN A 1 4 ? 11.314 14.908 147.246 1.00 64.12 ? 12 GLN A CA 1 ATOM 22 C C . GLN A 1 4 ? 12.236 14.429 146.130 1.00 61.59 ? 12 GLN A C 1 ATOM 23 O O . GLN A 1 4 ? 13.350 14.921 145.966 1.00 71.98 ? 12 GLN A O 1 ATOM 24 C CB . GLN A 1 4 ? 10.381 15.982 146.683 1.00 59.41 ? 12 GLN A CB 1 ATOM 25 C CG . GLN A 1 4 ? 9.313 16.455 147.649 1.00 61.57 ? 12 GLN A CG 1 ATOM 26 C CD . GLN A 1 4 ? 8.148 17.101 146.935 1.00 60.50 ? 12 GLN A CD 1 ATOM 27 O OE1 . GLN A 1 4 ? 8.036 17.016 145.712 1.00 67.84 ? 12 GLN A OE1 1 ATOM 28 N NE2 . GLN A 1 4 ? 7.272 17.750 147.692 1.00 54.43 ? 12 GLN A NE2 1 ATOM 29 N N . ILE A 1 5 ? 11.748 13.458 145.367 1.00 42.34 ? 13 ILE A N 1 ATOM 30 C CA . ILE A 1 5 ? 12.328 13.119 144.076 1.00 36.46 ? 13 ILE A CA 1 ATOM 31 C C . ILE A 1 5 ? 11.186 12.889 143.091 1.00 47.12 ? 13 ILE A C 1 ATOM 32 O O . ILE A 1 5 ? 10.188 12.247 143.420 1.00 50.13 ? 13 ILE A O 1 ATOM 33 C CB . ILE A 1 5 ? 13.275 11.894 144.151 1.00 50.20 ? 13 ILE A CB 1 ATOM 34 C CG1 . ILE A 1 5 ? 14.022 11.713 142.827 1.00 42.76 ? 13 ILE A CG1 1 ATOM 35 C CG2 . ILE A 1 5 ? 12.520 10.630 144.544 1.00 35.39 ? 13 ILE A CG2 1 ATOM 36 C CD1 . ILE A 1 5 ? 15.073 10.619 142.862 1.00 46.83 ? 13 ILE A CD1 1 ATOM 37 N N . CYS A 1 6 ? 11.317 13.448 141.893 1.00 52.32 ? 14 CYS A N 1 ATOM 38 C CA . CYS A 1 6 ? 10.228 13.414 140.922 1.00 50.51 ? 14 CYS A CA 1 ATOM 39 C C . CYS A 1 6 ? 10.669 12.823 139.588 1.00 46.60 ? 14 CYS A C 1 ATOM 40 O O . CYS A 1 6 ? 11.851 12.836 139.251 1.00 59.13 ? 14 CYS A O 1 ATOM 41 C CB . CYS A 1 6 ? 9.670 14.821 140.697 1.00 54.69 ? 14 CYS A CB 1 ATOM 42 S SG . CYS A 1 6 ? 9.256 15.744 142.197 1.00 83.29 ? 14 CYS A SG 1 ATOM 43 N N . ILE A 1 7 ? 9.709 12.304 138.831 1.00 37.95 ? 15 ILE A N 1 ATOM 44 C CA . ILE A 1 7 ? 9.969 11.828 137.479 1.00 45.49 ? 15 ILE A CA 1 ATOM 45 C C . ILE A 1 7 ? 9.342 12.789 136.481 1.00 54.61 ? 15 ILE A C 1 ATOM 46 O O . ILE A 1 7 ? 8.160 13.117 136.586 1.00 62.23 ? 15 ILE A O 1 ATOM 47 C CB . ILE A 1 7 ? 9.382 10.427 137.249 1.00 46.13 ? 15 ILE A CB 1 ATOM 48 C CG1 . ILE A 1 7 ? 9.878 9.458 138.322 1.00 47.41 ? 15 ILE A CG1 1 ATOM 49 C CG2 . ILE A 1 7 ? 9.733 9.926 135.854 1.00 42.62 ? 15 ILE A CG2 1 ATOM 50 C CD1 . ILE A 1 7 ? 11.380 9.358 138.392 1.00 55.65 ? 15 ILE A CD1 1 ATOM 51 N N . GLY A 1 8 ? 10.134 13.243 135.517 1.00 53.28 ? 16 GLY A N 1 ATOM 52 C CA . GLY A 1 8 ? 9.648 14.185 134.527 1.00 55.64 ? 16 GLY A CA 1 ATOM 53 C C . GLY A 1 8 ? 10.252 13.962 133.159 1.00 47.11 ? 16 GLY A C 1 ATOM 54 O O . GLY A 1 8 ? 11.154 13.141 132.988 1.00 41.97 ? 16 GLY A O 1 ATOM 55 N N . TYR A 1 9 ? 9.749 14.699 132.177 1.00 44.36 ? 17 TYR A N 1 ATOM 56 C CA . TYR A 1 9 ? 10.200 14.534 130.804 1.00 44.01 ? 17 TYR A CA 1 ATOM 57 C C . TYR A 1 9 ? 10.653 15.852 130.180 1.00 41.99 ? 17 TYR A C 1 ATOM 58 O O . TYR A 1 9 ? 10.247 16.932 130.614 1.00 34.97 ? 17 TYR A O 1 ATOM 59 C CB . TYR A 1 9 ? 9.106 13.877 129.955 1.00 40.68 ? 17 TYR A CB 1 ATOM 60 C CG . TYR A 1 9 ? 7.727 14.471 130.145 1.00 41.54 ? 17 TYR A CG 1 ATOM 61 C CD1 . TYR A 1 9 ? 7.340 15.611 129.453 1.00 44.18 ? 17 TYR A CD1 1 ATOM 62 C CD2 . TYR A 1 9 ? 6.811 13.886 131.009 1.00 46.80 ? 17 TYR A CD2 1 ATOM 63 C CE1 . TYR A 1 9 ? 6.081 16.156 129.620 1.00 49.10 ? 17 TYR A CE1 1 ATOM 64 C CE2 . TYR A 1 9 ? 5.549 14.426 131.184 1.00 54.47 ? 17 TYR A CE2 1 ATOM 65 C CZ . TYR A 1 9 ? 5.190 15.560 130.486 1.00 55.53 ? 17 TYR A CZ 1 ATOM 66 O OH . TYR A 1 9 ? 3.936 16.102 130.654 1.00 60.85 ? 17 TYR A OH 1 ATOM 67 N N . HIS A 1 10 ? 11.495 15.739 129.158 1.00 46.51 ? 18 HIS A N 1 ATOM 68 C CA . HIS A 1 10 ? 12.064 16.888 128.465 1.00 46.76 ? 18 HIS A CA 1 ATOM 69 C C . HIS A 1 10 ? 11.004 17.826 127.893 1.00 43.99 ? 18 HIS A C 1 ATOM 70 O O . HIS A 1 10 ? 9.909 17.398 127.528 1.00 43.09 ? 18 HIS A O 1 ATOM 71 C CB . HIS A 1 10 ? 12.984 16.406 127.340 1.00 54.65 ? 18 HIS A CB 1 ATOM 72 C CG . HIS A 1 10 ? 13.783 17.497 126.698 1.00 67.43 ? 18 HIS A CG 1 ATOM 73 N ND1 . HIS A 1 10 ? 15.043 17.848 127.136 1.00 76.45 ? 18 HIS A ND1 1 ATOM 74 C CD2 . HIS A 1 10 ? 13.507 18.313 125.655 1.00 67.84 ? 18 HIS A CD2 1 ATOM 75 C CE1 . HIS A 1 10 ? 15.507 18.834 126.386 1.00 75.69 ? 18 HIS A CE1 1 ATOM 76 N NE2 . HIS A 1 10 ? 14.594 19.134 125.482 1.00 71.69 ? 18 HIS A NE2 1 ATOM 77 N N . ALA A 1 11 ? 11.347 19.108 127.823 1.00 46.33 ? 19 ALA A N 1 ATOM 78 C CA . ALA A 1 11 ? 10.507 20.110 127.178 1.00 50.60 ? 19 ALA A CA 1 ATOM 79 C C . ALA A 1 11 ? 11.394 21.232 126.647 1.00 53.88 ? 19 ALA A C 1 ATOM 80 O O . ALA A 1 11 ? 12.400 21.580 127.268 1.00 68.02 ? 19 ALA A O 1 ATOM 81 C CB . ALA A 1 11 ? 9.481 20.657 128.158 1.00 53.03 ? 19 ALA A CB 1 ATOM 82 N N . ASN A 1 12 ? 11.032 21.789 125.495 1.00 41.16 ? 20 ASN A N 1 ATOM 83 C CA . ASN A 1 12 ? 11.809 22.875 124.901 1.00 45.62 ? 20 ASN A CA 1 ATOM 84 C C . ASN A 1 12 ? 10.958 23.951 124.231 1.00 52.31 ? 20 ASN A C 1 ATOM 85 O O . ASN A 1 12 ? 9.737 23.973 124.382 1.00 49.72 ? 20 ASN A O 1 ATOM 86 C CB . ASN A 1 12 ? 12.866 22.333 123.928 1.00 45.49 ? 20 ASN A CB 1 ATOM 87 C CG . ASN A 1 12 ? 12.264 21.512 122.795 1.00 63.35 ? 20 ASN A CG 1 ATOM 88 O OD1 . ASN A 1 12 ? 11.073 21.614 122.496 1.00 67.87 ? 20 ASN A OD1 1 ATOM 89 N ND2 . ASN A 1 12 ? 13.093 20.690 122.158 1.00 68.86 ? 20 ASN A ND2 1 ATOM 90 N N . ASN A 1 13 ? 11.617 24.841 123.496 1.00 74.49 ? 21 ASN A N 1 ATOM 91 C CA . ASN A 1 13 ? 10.941 25.955 122.843 1.00 83.53 ? 21 ASN A CA 1 ATOM 92 C C . ASN A 1 13 ? 10.511 25.637 121.410 1.00 86.50 ? 21 ASN A C 1 ATOM 93 O O . ASN A 1 13 ? 10.099 26.529 120.667 1.00 92.28 ? 21 ASN A O 1 ATOM 94 C CB . ASN A 1 13 ? 11.829 27.203 122.865 1.00 86.12 ? 21 ASN A CB 1 ATOM 95 C CG . ASN A 1 13 ? 13.228 26.936 122.335 1.00 90.88 ? 21 ASN A CG 1 ATOM 96 O OD1 . ASN A 1 13 ? 13.687 25.793 122.309 1.00 89.47 ? 21 ASN A OD1 1 ATOM 97 N ND2 . ASN A 1 13 ? 13.916 27.995 121.920 1.00 92.13 ? 21 ASN A ND2 1 ATOM 98 N N . SER A 1 14 ? 10.607 24.365 121.031 1.00 73.02 ? 22 SER A N 1 ATOM 99 C CA . SER A 1 14 ? 10.266 23.930 119.680 1.00 64.42 ? 22 SER A CA 1 ATOM 100 C C . SER A 1 14 ? 8.794 24.168 119.365 1.00 58.56 ? 22 SER A C 1 ATOM 101 O O . SER A 1 14 ? 7.926 23.933 120.203 1.00 61.51 ? 22 SER A O 1 ATOM 102 C CB . SER A 1 14 ? 10.611 22.451 119.491 1.00 57.27 ? 22 SER A CB 1 ATOM 103 O OG . SER A 1 14 ? 10.243 22.000 118.196 1.00 54.68 ? 22 SER A OG 1 ATOM 104 N N . THR A 1 15 ? 8.521 24.637 118.152 1.00 61.59 ? 23 THR A N 1 ATOM 105 C CA . THR A 1 15 ? 7.158 24.962 117.751 1.00 69.00 ? 23 THR A CA 1 ATOM 106 C C . THR A 1 15 ? 6.679 24.059 116.616 1.00 67.92 ? 23 THR A C 1 ATOM 107 O O . THR A 1 15 ? 5.660 24.333 115.978 1.00 74.56 ? 23 THR A O 1 ATOM 108 C CB . THR A 1 15 ? 7.035 26.438 117.320 1.00 73.05 ? 23 THR A CB 1 ATOM 109 O OG1 . THR A 1 15 ? 5.701 26.701 116.864 1.00 81.29 ? 23 THR A OG1 1 ATOM 110 C CG2 . THR A 1 15 ? 8.020 26.756 116.205 1.00 66.81 ? 23 THR A CG2 1 ATOM 111 N N . GLU A 1 16 ? 7.416 22.980 116.375 1.00 50.06 ? 24 GLU A N 1 ATOM 112 C CA . GLU A 1 16 ? 7.091 22.056 115.293 1.00 48.72 ? 24 GLU A CA 1 ATOM 113 C C . GLU A 1 16 ? 5.789 21.312 115.557 1.00 50.17 ? 24 GLU A C 1 ATOM 114 O O . GLU A 1 16 ? 5.587 20.767 116.640 1.00 63.48 ? 24 GLU A O 1 ATOM 115 C CB . GLU A 1 16 ? 8.226 21.053 115.087 1.00 54.04 ? 24 GLU A CB 1 ATOM 116 C CG . GLU A 1 16 ? 9.590 21.694 114.906 1.00 75.24 ? 24 GLU A CG 1 ATOM 117 C CD . GLU A 1 16 ? 10.627 20.718 114.390 1.00 87.78 ? 24 GLU A CD 1 ATOM 118 O OE1 . GLU A 1 16 ? 10.537 20.337 113.203 1.00 95.37 ? 24 GLU A OE1 1 ATOM 119 O OE2 . GLU A 1 16 ? 11.525 20.326 115.168 1.00 84.80 ? 24 GLU A OE2 1 ATOM 120 N N . LYS A 1 17 ? 4.911 21.292 114.560 1.00 41.60 ? 25 LYS A N 1 ATOM 121 C CA . LYS A 1 17 ? 3.644 20.579 114.670 1.00 43.10 ? 25 LYS A CA 1 ATOM 122 C C . LYS A 1 17 ? 3.644 19.289 113.849 1.00 40.94 ? 25 LYS A C 1 ATOM 123 O O . LYS A 1 17 ? 4.244 19.221 112.776 1.00 40.27 ? 25 LYS A O 1 ATOM 124 C CB . LYS A 1 17 ? 2.477 21.470 114.232 1.00 47.99 ? 25 LYS A CB 1 ATOM 125 C CG . LYS A 1 17 ? 1.711 22.134 115.369 1.00 49.62 ? 25 LYS A CG 1 ATOM 126 C CD . LYS A 1 17 ? 2.408 23.382 115.878 1.00 59.52 ? 25 LYS A CD 1 ATOM 127 C CE . LYS A 1 17 ? 1.515 24.132 116.854 1.00 71.11 ? 25 LYS A CE 1 ATOM 128 N NZ . LYS A 1 17 ? 2.124 25.415 117.305 1.00 78.08 ? 25 LYS A NZ 1 ATOM 129 N N . VAL A 1 18 ? 2.970 18.266 114.369 1.00 30.24 ? 26 VAL A N 1 ATOM 130 C CA . VAL A 1 18 ? 2.758 17.019 113.642 1.00 29.49 ? 26 VAL A CA 1 ATOM 131 C C . VAL A 1 18 ? 1.320 16.546 113.821 1.00 35.00 ? 26 VAL A C 1 ATOM 132 O O . VAL A 1 18 ? 0.627 16.970 114.747 1.00 29.30 ? 26 VAL A O 1 ATOM 133 C CB . VAL A 1 18 ? 3.692 15.897 114.130 1.00 34.32 ? 26 VAL A CB 1 ATOM 134 C CG1 . VAL A 1 18 ? 5.148 16.230 113.827 1.00 43.32 ? 26 VAL A CG1 1 ATOM 135 C CG2 . VAL A 1 18 ? 3.491 15.655 115.613 1.00 35.18 ? 26 VAL A CG2 1 ATOM 136 N N . ASP A 1 19 ? 0.875 15.663 112.935 1.00 34.53 ? 27 ASP A N 1 ATOM 137 C CA . ASP A 1 19 ? -0.468 15.105 113.024 1.00 40.80 ? 27 ASP A CA 1 ATOM 138 C C . ASP A 1 19 ? -0.408 13.631 113.401 1.00 42.70 ? 27 ASP A C 1 ATOM 139 O O . ASP A 1 19 ? 0.534 12.928 113.038 1.00 56.11 ? 27 ASP A O 1 ATOM 140 C CB . ASP A 1 19 ? -1.210 15.273 111.697 1.00 52.92 ? 27 ASP A CB 1 ATOM 141 C CG . ASP A 1 19 ? -1.606 16.712 111.422 1.00 69.93 ? 27 ASP A CG 1 ATOM 142 O OD1 . ASP A 1 19 ? -1.099 17.618 112.118 1.00 74.50 ? 27 ASP A OD1 1 ATOM 143 O OD2 . ASP A 1 19 ? -2.421 16.937 110.502 1.00 73.81 ? 27 ASP A OD2 1 ATOM 144 N N . THR A 1 20 ? -1.410 13.168 114.142 1.00 32.44 ? 28 THR A N 1 ATOM 145 C CA . THR A 1 20 ? -1.519 11.750 114.463 1.00 36.98 ? 28 THR A CA 1 ATOM 146 C C . THR A 1 20 ? -2.873 11.222 114.028 1.00 41.17 ? 28 THR A C 1 ATOM 147 O O . THR A 1 20 ? -3.728 11.978 113.565 1.00 54.54 ? 28 THR A O 1 ATOM 148 C CB . THR A 1 20 ? -1.376 11.481 115.970 1.00 39.09 ? 28 THR A CB 1 ATOM 149 O OG1 . THR A 1 20 ? -2.617 11.768 116.626 1.00 39.65 ? 28 THR A OG1 1 ATOM 150 C CG2 . THR A 1 20 ? -0.265 12.325 116.571 1.00 36.67 ? 28 THR A CG2 1 ATOM 151 N N . ILE A 1 21 ? -3.071 9.920 114.194 1.00 32.83 ? 29 ILE A N 1 ATOM 152 C CA . ILE A 1 21 ? -4.339 9.303 113.842 1.00 36.82 ? 29 ILE A CA 1 ATOM 153 C C . ILE A 1 21 ? -5.434 9.717 114.822 1.00 40.65 ? 29 ILE A C 1 ATOM 154 O O . ILE A 1 21 ? -6.618 9.556 114.541 1.00 47.02 ? 29 ILE A O 1 ATOM 155 C CB . ILE A 1 21 ? -4.222 7.757 113.802 1.00 33.10 ? 29 ILE A CB 1 ATOM 156 C CG1 . ILE A 1 21 ? -5.338 7.148 112.947 1.00 45.42 ? 29 ILE A CG1 1 ATOM 157 C CG2 . ILE A 1 21 ? -4.227 7.178 115.207 1.00 37.47 ? 29 ILE A CG2 1 ATOM 158 C CD1 . ILE A 1 21 ? -5.286 7.550 111.492 1.00 55.46 ? 29 ILE A CD1 1 ATOM 159 N N . LEU A 1 22 ? -5.034 10.272 115.962 1.00 39.98 ? 30 LEU A N 1 ATOM 160 C CA . LEU A 1 22 ? -5.978 10.614 117.022 1.00 39.69 ? 30 LEU A CA 1 ATOM 161 C C . LEU A 1 22 ? -6.140 12.120 117.184 1.00 46.79 ? 30 LEU A C 1 ATOM 162 O O . LEU A 1 22 ? -7.254 12.636 117.270 1.00 56.10 ? 30 LEU A O 1 ATOM 163 C CB . LEU A 1 22 ? -5.518 10.010 118.348 1.00 25.86 ? 30 LEU A CB 1 ATOM 164 C CG . LEU A 1 22 ? -6.464 9.056 119.066 1.00 34.01 ? 30 LEU A CG 1 ATOM 165 C CD1 . LEU A 1 22 ? -6.975 7.981 118.119 1.00 29.42 ? 30 LEU A CD1 1 ATOM 166 C CD2 . LEU A 1 22 ? -5.752 8.428 120.254 1.00 34.63 ? 30 LEU A CD2 1 ATOM 167 N N . GLU A 1 23 ? -5.014 12.819 117.244 1.00 44.66 ? 31 GLU A N 1 ATOM 168 C CA . GLU A 1 23 ? -5.012 14.255 117.465 1.00 35.10 ? 31 GLU A CA 1 ATOM 169 C C . GLU A 1 23 ? -4.284 14.928 116.313 1.00 37.52 ? 31 GLU A C 1 ATOM 170 O O . GLU A 1 23 ? -3.489 14.294 115.624 1.00 45.83 ? 31 GLU A O 1 ATOM 171 C CB . GLU A 1 23 ? -4.313 14.569 118.789 1.00 42.84 ? 31 GLU A CB 1 ATOM 172 C CG . GLU A 1 23 ? -4.933 15.705 119.583 1.00 61.02 ? 31 GLU A CG 1 ATOM 173 C CD . GLU A 1 23 ? -4.420 15.757 121.014 1.00 65.85 ? 31 GLU A CD 1 ATOM 174 O OE1 . GLU A 1 23 ? -3.611 14.880 121.393 1.00 52.81 ? 31 GLU A OE1 1 ATOM 175 O OE2 . GLU A 1 23 ? -4.831 16.674 121.760 1.00 75.88 ? 31 GLU A OE2 1 ATOM 176 N N . ARG A 1 24 ? -4.564 16.208 116.094 1.00 38.74 ? 32 ARG A N 1 ATOM 177 C CA . ARG A 1 24 ? -3.875 16.964 115.055 1.00 38.05 ? 32 ARG A CA 1 ATOM 178 C C . ARG A 1 24 ? -3.217 18.217 115.633 1.00 42.22 ? 32 ARG A C 1 ATOM 179 O O . ARG A 1 24 ? -3.547 18.647 116.741 1.00 42.92 ? 32 ARG A O 1 ATOM 180 C CB . ARG A 1 24 ? -4.833 17.311 113.914 1.00 34.99 ? 32 ARG A CB 1 ATOM 181 C CG . ARG A 1 24 ? -5.207 16.111 113.053 1.00 55.58 ? 32 ARG A CG 1 ATOM 182 C CD . ARG A 1 24 ? -6.378 16.414 112.131 1.00 76.37 ? 32 ARG A CD 1 ATOM 183 N NE . ARG A 1 24 ? -6.694 15.285 111.259 1.00 90.23 ? 32 ARG A NE 1 ATOM 184 C CZ . ARG A 1 24 ? -7.806 15.187 110.537 1.00 94.91 ? 32 ARG A CZ 1 ATOM 185 N NH1 . ARG A 1 24 ? -8.717 16.150 110.589 1.00 99.10 ? 32 ARG A NH1 1 ATOM 186 N NH2 . ARG A 1 24 ? -8.012 14.126 109.767 1.00 86.27 ? 32 ARG A NH2 1 ATOM 187 N N . ASN A 1 25 ? -2.274 18.777 114.881 1.00 41.67 ? 33 ASN A N 1 ATOM 188 C CA . ASN A 1 25 ? -1.528 19.965 115.296 1.00 49.13 ? 33 ASN A CA 1 ATOM 189 C C . ASN A 1 25 ? -0.826 19.827 116.650 1.00 48.34 ? 33 ASN A C 1 ATOM 190 O O . ASN A 1 25 ? -0.814 20.765 117.448 1.00 58.98 ? 33 ASN A O 1 ATOM 191 C CB . ASN A 1 25 ? -2.431 21.201 115.293 1.00 59.72 ? 33 ASN A CB 1 ATOM 192 C CG . ASN A 1 25 ? -1.869 22.328 114.451 1.00 73.34 ? 33 ASN A CG 1 ATOM 193 O OD1 . ASN A 1 25 ? -1.156 22.092 113.473 1.00 75.18 ? 33 ASN A OD1 1 ATOM 194 N ND2 . ASN A 1 25 ? -2.182 23.564 114.830 1.00 74.26 ? 33 ASN A ND2 1 ATOM 195 N N . VAL A 1 26 ? -0.236 18.661 116.897 1.00 31.20 ? 34 VAL A N 1 ATOM 196 C CA . VAL A 1 26 ? 0.466 18.402 118.152 1.00 30.44 ? 34 VAL A CA 1 ATOM 197 C C . VAL A 1 26 ? 1.907 18.909 118.118 1.00 30.90 ? 34 VAL A C 1 ATOM 198 O O . VAL A 1 26 ? 2.680 18.547 117.232 1.00 35.66 ? 34 VAL A O 1 ATOM 199 C CB . VAL A 1 26 ? 0.481 16.898 118.484 1.00 29.73 ? 34 VAL A CB 1 ATOM 200 C CG1 . VAL A 1 26 ? 1.156 16.657 119.824 1.00 29.90 ? 34 VAL A CG1 1 ATOM 201 C CG2 . VAL A 1 26 ? -0.931 16.343 118.488 1.00 31.46 ? 34 VAL A CG2 1 ATOM 202 N N . THR A 1 27 ? 2.267 19.740 119.092 1.00 33.13 ? 35 THR A N 1 ATOM 203 C CA . THR A 1 27 ? 3.621 20.279 119.189 1.00 41.67 ? 35 THR A CA 1 ATOM 204 C C . THR A 1 27 ? 4.582 19.259 119.800 1.00 42.73 ? 35 THR A C 1 ATOM 205 O O . THR A 1 27 ? 4.279 18.648 120.825 1.00 44.11 ? 35 THR A O 1 ATOM 206 C CB . THR A 1 27 ? 3.650 21.563 120.046 1.00 45.68 ? 35 THR A CB 1 ATOM 207 O OG1 . THR A 1 27 ? 2.571 22.427 119.665 1.00 49.79 ? 35 THR A OG1 1 ATOM 208 C CG2 . THR A 1 27 ? 4.972 22.293 119.872 1.00 35.73 ? 35 THR A CG2 1 ATOM 209 N N . VAL A 1 28 ? 5.741 19.080 119.171 1.00 31.78 ? 36 VAL A N 1 ATOM 210 C CA . VAL A 1 28 ? 6.739 18.119 119.644 1.00 43.74 ? 36 VAL A CA 1 ATOM 211 C C . VAL A 1 28 ? 8.100 18.788 119.854 1.00 42.44 ? 36 VAL A C 1 ATOM 212 O O . VAL A 1 28 ? 8.337 19.882 119.341 1.00 47.39 ? 36 VAL A O 1 ATOM 213 C CB . VAL A 1 28 ? 6.899 16.939 118.658 1.00 36.77 ? 36 VAL A CB 1 ATOM 214 C CG1 . VAL A 1 28 ? 5.597 16.155 118.548 1.00 30.16 ? 36 VAL A CG1 1 ATOM 215 C CG2 . VAL A 1 28 ? 7.338 17.442 117.294 1.00 35.01 ? 36 VAL A CG2 1 ATOM 216 N N . THR A 1 29 ? 8.990 18.141 120.607 1.00 42.67 ? 37 THR A N 1 ATOM 217 C CA . THR A 1 29 ? 10.311 18.718 120.868 1.00 52.15 ? 37 THR A CA 1 ATOM 218 C C . THR A 1 29 ? 11.199 18.644 119.635 1.00 57.46 ? 37 THR A C 1 ATOM 219 O O . THR A 1 29 ? 12.039 19.515 119.409 1.00 70.43 ? 37 THR A O 1 ATOM 220 C CB . THR A 1 29 ? 11.048 18.031 122.042 1.00 50.45 ? 37 THR A CB 1 ATOM 221 O OG1 . THR A 1 29 ? 12.062 17.150 121.538 1.00 44.80 ? 37 THR A OG1 1 ATOM 222 C CG2 . THR A 1 29 ? 10.082 17.255 122.913 1.00 50.37 ? 37 THR A CG2 1 ATOM 223 N N . HIS A 1 30 ? 11.016 17.593 118.844 1.00 44.24 ? 38 HIS A N 1 ATOM 224 C CA . HIS A 1 30 ? 11.793 17.423 117.626 1.00 41.48 ? 38 HIS A CA 1 ATOM 225 C C . HIS A 1 30 ? 11.056 16.549 116.617 1.00 41.11 ? 38 HIS A C 1 ATOM 226 O O . HIS A 1 30 ? 10.268 15.678 116.986 1.00 46.05 ? 38 HIS A O 1 ATOM 227 C CB . HIS A 1 30 ? 13.169 16.834 117.941 1.00 37.59 ? 38 HIS A CB 1 ATOM 228 C CG . HIS A 1 30 ? 14.139 16.939 116.805 1.00 52.46 ? 38 HIS A CG 1 ATOM 229 N ND1 . HIS A 1 30 ? 14.231 18.061 116.012 1.00 65.68 ? 38 HIS A ND1 1 ATOM 230 C CD2 . HIS A 1 30 ? 15.052 16.061 116.329 1.00 60.80 ? 38 HIS A CD2 1 ATOM 231 C CE1 . HIS A 1 30 ? 15.161 17.870 115.092 1.00 76.73 ? 38 HIS A CE1 1 ATOM 232 N NE2 . HIS A 1 30 ? 15.674 16.666 115.263 1.00 74.87 ? 38 HIS A NE2 1 ATOM 233 N N . ALA A 1 31 ? 11.319 16.790 115.339 1.00 33.56 ? 39 ALA A N 1 ATOM 234 C CA . ALA A 1 31 ? 10.642 16.071 114.274 1.00 30.53 ? 39 ALA A CA 1 ATOM 235 C C . ALA A 1 31 ? 11.536 15.963 113.046 1.00 42.59 ? 39 ALA A C 1 ATOM 236 O O . ALA A 1 31 ? 12.538 16.667 112.937 1.00 51.07 ? 39 ALA A O 1 ATOM 237 C CB . ALA A 1 31 ? 9.340 16.768 113.925 1.00 31.31 ? 39 ALA A CB 1 ATOM 238 N N . LYS A 1 32 ? 11.177 15.071 112.129 1.00 31.86 ? 40 LYS A N 1 ATOM 239 C CA . LYS A 1 32 ? 11.920 14.927 110.886 1.00 31.80 ? 40 LYS A CA 1 ATOM 240 C C . LYS A 1 32 ? 10.981 14.855 109.694 1.00 43.62 ? 40 LYS A C 1 ATOM 241 O O . LYS A 1 32 ? 10.040 14.064 109.681 1.00 44.25 ? 40 LYS A O 1 ATOM 242 C CB . LYS A 1 32 ? 12.823 13.694 110.920 1.00 39.22 ? 40 LYS A CB 1 ATOM 243 C CG . LYS A 1 32 ? 13.550 13.451 109.610 1.00 51.76 ? 40 LYS A CG 1 ATOM 244 C CD . LYS A 1 32 ? 14.855 12.698 109.809 1.00 52.71 ? 40 LYS A CD 1 ATOM 245 C CE . LYS A 1 32 ? 15.633 12.614 108.503 1.00 54.13 ? 40 LYS A CE 1 ATOM 246 N NZ . LYS A 1 32 ? 15.875 13.963 107.909 1.00 52.33 ? 40 LYS A NZ 1 ATOM 247 N N . ASP A 1 33 ? 11.242 15.695 108.699 1.00 59.56 ? 41 ASP A N 1 ATOM 248 C CA . ASP A 1 33 ? 10.425 15.728 107.498 1.00 59.63 ? 41 ASP A CA 1 ATOM 249 C C . ASP A 1 33 ? 10.964 14.717 106.497 1.00 53.27 ? 41 ASP A C 1 ATOM 250 O O . ASP A 1 33 ? 12.133 14.774 106.114 1.00 62.69 ? 41 ASP A O 1 ATOM 251 C CB . ASP A 1 33 ? 10.430 17.131 106.890 1.00 69.24 ? 41 ASP A CB 1 ATOM 252 C CG . ASP A 1 33 ? 9.244 17.376 105.976 1.00 87.37 ? 41 ASP A CG 1 ATOM 253 O OD1 . ASP A 1 33 ? 8.241 17.957 106.442 1.00 97.65 ? 41 ASP A OD1 1 ATOM 254 O OD2 . ASP A 1 33 ? 9.312 16.986 104.793 1.00 88.90 ? 41 ASP A OD2 1 ATOM 255 N N . ILE A 1 34 ? 10.112 13.785 106.081 1.00 28.58 ? 42 ILE A N 1 ATOM 256 C CA . ILE A 1 34 ? 10.519 12.754 105.134 1.00 28.13 ? 42 ILE A CA 1 ATOM 257 C C . ILE A 1 34 ? 10.062 13.077 103.714 1.00 43.20 ? 42 ILE A C 1 ATOM 258 O O . ILE A 1 34 ? 10.089 12.217 102.834 1.00 38.71 ? 42 ILE A O 1 ATOM 259 C CB . ILE A 1 34 ? 9.978 11.373 105.539 1.00 27.41 ? 42 ILE A CB 1 ATOM 260 C CG1 . ILE A 1 34 ? 8.451 11.410 105.625 1.00 33.16 ? 42 ILE A CG1 1 ATOM 261 C CG2 . ILE A 1 34 ? 10.578 10.934 106.867 1.00 27.41 ? 42 ILE A CG2 1 ATOM 262 C CD1 . ILE A 1 34 ? 7.833 10.118 106.084 1.00 26.47 ? 42 ILE A CD1 1 ATOM 263 N N . LEU A 1 35 ? 9.648 14.322 103.497 1.00 56.87 ? 43 LEU A N 1 ATOM 264 C CA . LEU A 1 35 ? 9.198 14.764 102.179 1.00 47.37 ? 43 LEU A CA 1 ATOM 265 C C . LEU A 1 35 ? 10.193 15.741 101.548 1.00 48.83 ? 43 LEU A C 1 ATOM 266 O O . LEU A 1 35 ? 10.493 16.789 102.120 1.00 57.69 ? 43 LEU A O 1 ATOM 267 C CB . LEU A 1 35 ? 7.812 15.410 102.274 1.00 35.56 ? 43 LEU A CB 1 ATOM 268 C CG . LEU A 1 35 ? 7.146 15.803 100.955 1.00 28.78 ? 43 LEU A CG 1 ATOM 269 C CD1 . LEU A 1 35 ? 6.808 14.563 100.143 1.00 47.80 ? 43 LEU A CD1 1 ATOM 270 C CD2 . LEU A 1 35 ? 5.903 16.641 101.199 1.00 29.84 ? 43 LEU A CD2 1 ATOM 271 N N . GLU A 1 36 ? 10.703 15.392 100.369 1.00 47.35 ? 44 GLU A N 1 ATOM 272 C CA . GLU A 1 36 ? 11.631 16.261 99.646 1.00 47.17 ? 44 GLU A CA 1 ATOM 273 C C . GLU A 1 36 ? 10.870 17.327 98.865 1.00 52.42 ? 44 GLU A C 1 ATOM 274 O O . GLU A 1 36 ? 10.154 17.018 97.913 1.00 56.15 ? 44 GLU A O 1 ATOM 275 C CB . GLU A 1 36 ? 12.526 15.450 98.706 1.00 43.63 ? 44 GLU A CB 1 ATOM 276 C CG . GLU A 1 36 ? 14.019 15.574 98.998 1.00 61.37 ? 44 GLU A CG 1 ATOM 277 C CD . GLU A 1 36 ? 14.575 16.965 98.715 1.00 83.47 ? 44 GLU A CD 1 ATOM 278 O OE1 . GLU A 1 36 ? 13.917 17.746 97.994 1.00 91.80 ? 44 GLU A OE1 1 ATOM 279 O OE2 . GLU A 1 36 ? 15.678 17.277 99.214 1.00 87.65 ? 44 GLU A OE2 1 ATOM 280 N N . LYS A 1 37 ? 11.035 18.581 99.272 1.00 50.84 ? 45 LYS A N 1 ATOM 281 C CA . LYS A 1 37 ? 10.246 19.673 98.720 1.00 46.33 ? 45 LYS A CA 1 ATOM 282 C C . LYS A 1 37 ? 11.083 20.626 97.871 1.00 54.39 ? 45 LYS A C 1 ATOM 283 O O . LYS A 1 37 ? 10.567 21.594 97.310 1.00 59.39 ? 45 LYS A O 1 ATOM 284 C CB . LYS A 1 37 ? 9.546 20.428 99.855 1.00 47.82 ? 45 LYS A CB 1 ATOM 285 C CG . LYS A 1 37 ? 8.364 19.657 100.437 1.00 50.82 ? 45 LYS A CG 1 ATOM 286 C CD . LYS A 1 37 ? 7.852 20.236 101.749 1.00 55.68 ? 45 LYS A CD 1 ATOM 287 C CE . LYS A 1 37 ? 8.693 19.774 102.931 1.00 65.79 ? 45 LYS A CE 1 ATOM 288 N NZ . LYS A 1 37 ? 7.916 19.798 104.208 1.00 73.17 ? 45 LYS A NZ 1 ATOM 289 N N . THR A 1 38 ? 12.373 20.327 97.758 1.00 58.82 ? 46 THR A N 1 ATOM 290 C CA . THR A 1 38 ? 13.337 21.244 97.158 1.00 55.33 ? 46 THR A CA 1 ATOM 291 C C . THR A 1 38 ? 13.374 21.239 95.633 1.00 65.08 ? 46 THR A C 1 ATOM 292 O O . THR A 1 38 ? 13.541 20.196 95.008 1.00 68.08 ? 46 THR A O 1 ATOM 293 C CB . THR A 1 38 ? 14.756 20.970 97.698 1.00 59.05 ? 46 THR A CB 1 ATOM 294 O OG1 . THR A 1 38 ? 14.852 21.454 99.044 1.00 72.05 ? 46 THR A OG1 1 ATOM 295 C CG2 . THR A 1 38 ? 15.802 21.668 96.848 1.00 57.63 ? 46 THR A CG2 1 ATOM 296 N N . HIS A 1 39 ? 13.210 22.422 95.047 1.00 89.35 ? 47 HIS A N 1 ATOM 297 C CA . HIS A 1 39 ? 13.405 22.627 93.613 1.00 88.41 ? 47 HIS A CA 1 ATOM 298 C C . HIS A 1 39 ? 14.450 23.717 93.377 1.00 84.78 ? 47 HIS A C 1 ATOM 299 O O . HIS A 1 39 ? 14.121 24.902 93.312 1.00 79.91 ? 47 HIS A O 1 ATOM 300 C CB . HIS A 1 39 ? 12.084 22.978 92.914 1.00 84.26 ? 47 HIS A CB 1 ATOM 301 C CG . HIS A 1 39 ? 11.182 23.869 93.709 1.00 88.88 ? 47 HIS A CG 1 ATOM 302 N ND1 . HIS A 1 39 ? 11.648 24.937 94.457 1.00 93.66 ? 47 HIS A ND1 1 ATOM 303 C CD2 . HIS A 1 39 ? 9.838 23.871 93.867 1.00 88.66 ? 47 HIS A CD2 1 ATOM 304 C CE1 . HIS A 1 39 ? 10.634 25.541 95.039 1.00 91.60 ? 47 HIS A CE1 1 ATOM 305 N NE2 . HIS A 1 39 ? 9.518 24.915 94.698 1.00 89.64 ? 47 HIS A NE2 1 ATOM 306 N N . ASN A 1 40 ? 15.708 23.307 93.245 1.00 78.12 ? 48 ASN A N 1 ATOM 307 C CA . ASN A 1 40 ? 16.821 24.251 93.188 1.00 71.20 ? 48 ASN A CA 1 ATOM 308 C C . ASN A 1 40 ? 16.992 24.971 91.851 1.00 67.83 ? 48 ASN A C 1 ATOM 309 O O . ASN A 1 40 ? 17.780 25.911 91.743 1.00 78.28 ? 48 ASN A O 1 ATOM 310 C CB . ASN A 1 40 ? 18.135 23.572 93.594 1.00 69.51 ? 48 ASN A CB 1 ATOM 311 C CG . ASN A 1 40 ? 18.492 22.398 92.703 1.00 72.54 ? 48 ASN A CG 1 ATOM 312 O OD1 . ASN A 1 40 ? 17.781 22.087 91.748 1.00 79.07 ? 48 ASN A OD1 1 ATOM 313 N ND2 . ASN A 1 40 ? 19.606 21.741 93.010 1.00 69.46 ? 48 ASN A ND2 1 ATOM 314 N N . GLY A 1 41 ? 16.261 24.524 90.836 1.00 56.97 ? 49 GLY A N 1 ATOM 315 C CA . GLY A 1 41 ? 16.316 25.152 89.527 1.00 58.15 ? 49 GLY A CA 1 ATOM 316 C C . GLY A 1 41 ? 17.479 24.675 88.672 1.00 63.69 ? 49 GLY A C 1 ATOM 317 O O . GLY A 1 41 ? 17.544 24.960 87.477 1.00 69.86 ? 49 GLY A O 1 ATOM 318 N N . LYS A 1 42 ? 18.401 23.942 89.286 1.00 68.57 ? 50 LYS A N 1 ATOM 319 C CA . LYS A 1 42 ? 19.568 23.432 88.575 1.00 70.49 ? 50 LYS A CA 1 ATOM 320 C C . LYS A 1 42 ? 19.224 22.264 87.663 1.00 70.09 ? 50 LYS A C 1 ATOM 321 O O . LYS A 1 42 ? 18.311 21.491 87.945 1.00 64.34 ? 50 LYS A O 1 ATOM 322 C CB . LYS A 1 42 ? 20.652 22.988 89.560 1.00 74.77 ? 50 LYS A CB 1 ATOM 323 C CG . LYS A 1 42 ? 21.527 24.099 90.094 1.00 82.55 ? 50 LYS A CG 1 ATOM 324 C CD . LYS A 1 42 ? 22.865 23.537 90.556 1.00 91.23 ? 50 LYS A CD 1 ATOM 325 C CE . LYS A 1 42 ? 23.771 24.618 91.119 1.00 88.72 ? 50 LYS A CE 1 ATOM 326 N NZ . LYS A 1 42 ? 23.354 25.045 92.483 1.00 85.26 ? 50 LYS A NZ 1 ATOM 327 N N . LEU A 1 43 ? 19.965 22.146 86.566 1.00 69.77 ? 51 LEU A N 1 ATOM 328 C CA . LEU A 1 43 ? 19.906 20.960 85.722 1.00 63.52 ? 51 LEU A CA 1 ATOM 329 C C . LEU A 1 43 ? 21.288 20.339 85.627 1.00 57.76 ? 51 LEU A C 1 ATOM 330 O O . LEU A 1 43 ? 22.171 20.862 84.955 1.00 53.75 ? 51 LEU A O 1 ATOM 331 C CB . LEU A 1 43 ? 19.378 21.295 84.329 1.00 58.82 ? 51 LEU A CB 1 ATOM 332 C CG . LEU A 1 43 ? 17.861 21.479 84.266 1.00 54.11 ? 51 LEU A CG 1 ATOM 333 C CD1 . LEU A 1 43 ? 17.485 22.929 84.549 1.00 62.71 ? 51 LEU A CD1 1 ATOM 334 C CD2 . LEU A 1 43 ? 17.335 21.015 82.925 1.00 43.52 ? 51 LEU A CD2 1 ATOM 335 N N . CYS A 1 44 ? 21.467 19.217 86.310 1.00 54.91 ? 52 CYS A N 1 ATOM 336 C CA . CYS A 1 44 ? 22.774 18.587 86.424 1.00 50.09 ? 52 CYS A CA 1 ATOM 337 C C . CYS A 1 44 ? 22.966 17.493 85.385 1.00 52.51 ? 52 CYS A C 1 ATOM 338 O O . CYS A 1 44 ? 22.142 17.329 84.484 1.00 51.34 ? 52 CYS A O 1 ATOM 339 C CB . CYS A 1 44 ? 22.936 17.998 87.826 1.00 34.05 ? 52 CYS A CB 1 ATOM 340 S SG . CYS A 1 44 ? 22.760 19.201 89.163 1.00 206.97 ? 52 CYS A SG 1 ATOM 341 N N . LYS A 1 45 ? 24.063 16.752 85.506 1.00 33.53 ? 53 LYS A N 1 ATOM 342 C CA . LYS A 1 45 ? 24.203 15.511 84.758 1.00 46.96 ? 53 LYS A CA 1 ATOM 343 C C . LYS A 1 45 ? 23.659 14.349 85.583 1.00 39.41 ? 53 LYS A C 1 ATOM 344 O O . LYS A 1 45 ? 23.447 14.477 86.788 1.00 35.12 ? 53 LYS A O 1 ATOM 345 C CB . LYS A 1 45 ? 25.645 15.263 84.285 1.00 57.52 ? 53 LYS A CB 1 ATOM 346 C CG . LYS A 1 45 ? 26.770 15.652 85.233 1.00 64.01 ? 53 LYS A CG 1 ATOM 347 C CD . LYS A 1 45 ? 27.832 16.475 84.498 1.00 62.26 ? 53 LYS A CD 1 ATOM 348 C CE . LYS A 1 45 ? 29.196 16.409 85.176 1.00 65.87 ? 53 LYS A CE 1 ATOM 349 N NZ . LYS A 1 45 ? 29.203 16.934 86.575 1.00 66.17 ? 53 LYS A NZ 1 ATOM 350 N N . LEU A 1 46 A 23.421 13.224 84.922 1.00 47.07 ? 53 LEU A N 1 ATOM 351 C CA . LEU A 1 46 A 22.724 12.104 85.540 1.00 48.27 ? 53 LEU A CA 1 ATOM 352 C C . LEU A 1 46 A 23.643 10.897 85.694 1.00 54.79 ? 53 LEU A C 1 ATOM 353 O O . LEU A 1 46 A 24.017 10.263 84.706 1.00 64.67 ? 53 LEU A O 1 ATOM 354 C CB . LEU A 1 46 A 21.503 11.737 84.695 1.00 52.20 ? 53 LEU A CB 1 ATOM 355 C CG . LEU A 1 46 A 20.256 11.180 85.379 1.00 57.05 ? 53 LEU A CG 1 ATOM 356 C CD1 . LEU A 1 46 A 20.461 9.739 85.809 1.00 60.70 ? 53 LEU A CD1 1 ATOM 357 C CD2 . LEU A 1 46 A 19.880 12.050 86.566 1.00 66.08 ? 53 LEU A CD2 1 ATOM 358 N N . ASN A 1 47 ? 23.993 10.586 86.939 1.00 52.36 ? 54 ASN A N 1 ATOM 359 C CA . ASN A 1 47 ? 24.873 9.462 87.255 1.00 60.02 ? 54 ASN A CA 1 ATOM 360 C C . ASN A 1 47 ? 26.228 9.526 86.555 1.00 66.24 ? 54 ASN A C 1 ATOM 361 O O . ASN A 1 47 ? 26.798 8.497 86.190 1.00 72.55 ? 54 ASN A O 1 ATOM 362 C CB . ASN A 1 47 ? 24.181 8.124 86.980 1.00 59.78 ? 54 ASN A CB 1 ATOM 363 C CG . ASN A 1 47 ? 23.166 7.765 88.050 1.00 63.11 ? 54 ASN A CG 1 ATOM 364 O OD1 . ASN A 1 47 ? 21.960 7.765 87.804 1.00 56.87 ? 54 ASN A OD1 1 ATOM 365 N ND2 . ASN A 1 47 ? 23.652 7.456 89.248 1.00 70.53 ? 54 ASN A ND2 1 ATOM 366 N N . GLY A 1 48 ? 26.735 10.740 86.366 1.00 70.69 ? 55 GLY A N 1 ATOM 367 C CA . GLY A 1 48 ? 28.065 10.930 85.819 1.00 79.01 ? 55 GLY A CA 1 ATOM 368 C C . GLY A 1 48 ? 28.098 11.406 84.380 1.00 78.21 ? 55 GLY A C 1 ATOM 369 O O . GLY A 1 48 ? 29.110 11.935 83.922 1.00 84.36 ? 55 GLY A O 1 ATOM 370 N N . ILE A 1 49 ? 26.992 11.229 83.665 1.00 66.98 ? 56 ILE A N 1 ATOM 371 C CA . ILE A 1 49 ? 26.951 11.558 82.242 1.00 61.61 ? 56 ILE A CA 1 ATOM 372 C C . ILE A 1 49 ? 25.970 12.691 81.932 1.00 57.57 ? 56 ILE A C 1 ATOM 373 O O . ILE A 1 49 ? 24.832 12.676 82.395 1.00 56.23 ? 56 ILE A O 1 ATOM 374 C CB . ILE A 1 49 ? 26.611 10.317 81.386 1.00 49.91 ? 56 ILE A CB 1 ATOM 375 C CG1 . ILE A 1 49 ? 26.518 9.066 82.267 1.00 56.62 ? 56 ILE A CG1 1 ATOM 376 C CG2 . ILE A 1 49 ? 27.649 10.126 80.297 1.00 46.36 ? 56 ILE A CG2 1 ATOM 377 C CD1 . ILE A 1 49 ? 26.610 7.761 81.498 1.00 60.90 ? 56 ILE A CD1 1 ATOM 378 N N . PRO A 1 50 ? 26.419 13.685 81.149 1.00 58.57 ? 57 PRO A N 1 ATOM 379 C CA . PRO A 1 50 ? 25.620 14.874 80.826 1.00 60.13 ? 57 PRO A CA 1 ATOM 380 C C . PRO A 1 50 ? 24.451 14.578 79.895 1.00 54.99 ? 57 PRO A C 1 ATOM 381 O O . PRO A 1 50 ? 24.461 13.558 79.213 1.00 62.67 ? 57 PRO A O 1 ATOM 382 C CB . PRO A 1 50 ? 26.630 15.786 80.121 1.00 58.54 ? 57 PRO A CB 1 ATOM 383 C CG . PRO A 1 50 ? 27.606 14.854 79.522 1.00 61.52 ? 57 PRO A CG 1 ATOM 384 C CD . PRO A 1 50 ? 27.745 13.732 80.511 1.00 59.69 ? 57 PRO A CD 1 ATOM 385 N N . PRO A 1 51 ? 23.444 15.463 79.874 1.00 36.43 ? 58 PRO A N 1 ATOM 386 C CA . PRO A 1 51 ? 22.320 15.311 78.949 1.00 36.50 ? 58 PRO A CA 1 ATOM 387 C C . PRO A 1 51 ? 22.606 15.936 77.588 1.00 42.90 ? 58 PRO A C 1 ATOM 388 O O . PRO A 1 51 ? 23.365 16.900 77.490 1.00 50.31 ? 58 PRO A O 1 ATOM 389 C CB . PRO A 1 51 ? 21.210 16.098 79.637 1.00 37.32 ? 58 PRO A CB 1 ATOM 390 C CG . PRO A 1 51 ? 21.932 17.185 80.347 1.00 41.56 ? 58 PRO A CG 1 ATOM 391 C CD . PRO A 1 51 ? 23.227 16.571 80.822 1.00 41.38 ? 58 PRO A CD 1 ATOM 392 N N . LEU A 1 52 ? 21.991 15.387 76.548 1.00 45.32 ? 59 LEU A N 1 ATOM 393 C CA . LEU A 1 52 ? 22.067 15.971 75.220 1.00 48.79 ? 59 LEU A CA 1 ATOM 394 C C . LEU A 1 52 ? 21.121 17.163 75.155 1.00 60.57 ? 59 LEU A C 1 ATOM 395 O O . LEU A 1 52 ? 19.913 17.013 75.342 1.00 74.20 ? 59 LEU A O 1 ATOM 396 C CB . LEU A 1 52 ? 21.670 14.933 74.172 1.00 47.07 ? 59 LEU A CB 1 ATOM 397 C CG . LEU A 1 52 ? 21.719 15.385 72.713 1.00 54.97 ? 59 LEU A CG 1 ATOM 398 C CD1 . LEU A 1 52 ? 23.133 15.273 72.158 1.00 67.31 ? 59 LEU A CD1 1 ATOM 399 C CD2 . LEU A 1 52 ? 20.732 14.588 71.871 1.00 49.21 ? 59 LEU A CD2 1 ATOM 400 N N . GLU A 1 53 ? 21.667 18.347 74.897 1.00 54.99 ? 60 GLU A N 1 ATOM 401 C CA . GLU A 1 53 ? 20.856 19.563 74.873 1.00 62.17 ? 60 GLU A CA 1 ATOM 402 C C . GLU A 1 53 ? 20.572 20.072 73.461 1.00 59.43 ? 60 GLU A C 1 ATOM 403 O O . GLU A 1 53 ? 21.423 20.693 72.828 1.00 63.61 ? 60 GLU A O 1 ATOM 404 C CB . GLU A 1 53 ? 21.492 20.658 75.733 1.00 65.91 ? 60 GLU A CB 1 ATOM 405 C CG . GLU A 1 53 ? 23.010 20.664 75.728 1.00 65.11 ? 60 GLU A CG 1 ATOM 406 C CD . GLU A 1 53 ? 23.587 21.551 76.816 1.00 69.75 ? 60 GLU A CD 1 ATOM 407 O OE1 . GLU A 1 53 ? 24.812 21.481 77.051 1.00 69.52 ? 60 GLU A OE1 1 ATOM 408 O OE2 . GLU A 1 53 ? 22.818 22.318 77.437 1.00 68.86 ? 60 GLU A OE2 1 ATOM 409 N N . LEU A 1 54 ? 19.356 19.815 72.987 1.00 48.90 ? 61 LEU A N 1 ATOM 410 C CA . LEU A 1 54 ? 18.951 20.171 71.630 1.00 47.49 ? 61 LEU A CA 1 ATOM 411 C C . LEU A 1 54 ? 18.454 21.610 71.515 1.00 53.11 ? 61 LEU A C 1 ATOM 412 O O . LEU A 1 54 ? 18.525 22.212 70.444 1.00 57.52 ? 61 LEU A O 1 ATOM 413 C CB . LEU A 1 54 ? 17.869 19.207 71.135 1.00 43.96 ? 61 LEU A CB 1 ATOM 414 C CG . LEU A 1 54 ? 18.303 17.741 71.031 1.00 47.75 ? 61 LEU A CG 1 ATOM 415 C CD1 . LEU A 1 54 ? 17.124 16.844 70.685 1.00 49.88 ? 61 LEU A CD1 1 ATOM 416 C CD2 . LEU A 1 54 ? 19.414 17.592 70.006 1.00 43.67 ? 61 LEU A CD2 1 ATOM 417 N N . GLY A 1 55 ? 17.951 22.154 72.618 1.00 58.37 ? 62 GLY A N 1 ATOM 418 C CA . GLY A 1 55 ? 17.445 23.514 72.629 1.00 65.50 ? 62 GLY A CA 1 ATOM 419 C C . GLY A 1 55 ? 16.177 23.674 71.813 1.00 65.90 ? 62 GLY A C 1 ATOM 420 O O . GLY A 1 55 ? 15.163 23.044 72.104 1.00 72.25 ? 62 GLY A O 1 ATOM 421 N N . ASP A 1 56 ? 16.231 24.521 70.789 1.00 63.04 ? 63 ASP A N 1 ATOM 422 C CA . ASP A 1 56 ? 15.073 24.758 69.932 1.00 74.69 ? 63 ASP A CA 1 ATOM 423 C C . ASP A 1 56 ? 14.920 23.662 68.888 1.00 73.96 ? 63 ASP A C 1 ATOM 424 O O . ASP A 1 56 ? 13.839 23.458 68.333 1.00 67.54 ? 63 ASP A O 1 ATOM 425 C CB . ASP A 1 56 ? 15.176 26.121 69.245 1.00 84.94 ? 63 ASP A CB 1 ATOM 426 C CG . ASP A 1 56 ? 14.698 27.252 70.128 1.00 96.78 ? 63 ASP A CG 1 ATOM 427 O OD1 . ASP A 1 56 ? 13.978 26.967 71.109 1.00 100.72 ? 63 ASP A OD1 1 ATOM 428 O OD2 . ASP A 1 56 ? 15.031 28.421 69.839 1.00 103.17 ? 63 ASP A OD2 1 ATOM 429 N N . CYS A 1 57 ? 16.013 22.957 68.631 1.00 77.11 ? 64 CYS A N 1 ATOM 430 C CA . CYS A 1 57 ? 16.043 21.915 67.617 1.00 68.67 ? 64 CYS A CA 1 ATOM 431 C C . CYS A 1 57 ? 15.246 20.692 68.063 1.00 58.30 ? 64 CYS A C 1 ATOM 432 O O . CYS A 1 57 ? 14.861 20.579 69.227 1.00 55.17 ? 64 CYS A O 1 ATOM 433 C CB . CYS A 1 57 ? 17.493 21.528 67.331 1.00 62.16 ? 64 CYS A CB 1 ATOM 434 S SG . CYS A 1 57 ? 17.754 20.490 65.882 1.00 279.54 ? 64 CYS A SG 1 ATOM 435 N N . SER A 1 58 ? 14.999 19.779 67.129 1.00 51.49 ? 65 SER A N 1 ATOM 436 C CA . SER A 1 58 ? 14.299 18.535 67.435 1.00 49.48 ? 65 SER A CA 1 ATOM 437 C C . SER A 1 58 ? 15.085 17.339 66.909 1.00 53.74 ? 65 SER A C 1 ATOM 438 O O . SER A 1 58 ? 15.940 17.488 66.036 1.00 67.78 ? 65 SER A O 1 ATOM 439 C CB . SER A 1 58 ? 12.895 18.545 66.832 1.00 49.50 ? 65 SER A CB 1 ATOM 440 O OG . SER A 1 58 ? 12.950 18.501 65.417 1.00 53.18 ? 65 SER A OG 1 ATOM 441 N N . ILE A 1 59 ? 14.785 16.157 67.443 1.00 46.71 ? 66 ILE A N 1 ATOM 442 C CA . ILE A 1 59 ? 15.493 14.931 67.082 1.00 48.20 ? 66 ILE A CA 1 ATOM 443 C C . ILE A 1 59 ? 15.486 14.691 65.573 1.00 53.06 ? 66 ILE A C 1 ATOM 444 O O . ILE A 1 59 ? 16.490 14.261 64.996 1.00 54.93 ? 66 ILE A O 1 ATOM 445 C CB . ILE A 1 59 ? 14.903 13.694 67.803 1.00 38.99 ? 66 ILE A CB 1 ATOM 446 C CG1 . ILE A 1 59 ? 14.899 13.905 69.318 1.00 42.39 ? 66 ILE A CG1 1 ATOM 447 C CG2 . ILE A 1 59 ? 15.687 12.442 67.449 1.00 33.60 ? 66 ILE A CG2 1 ATOM 448 C CD1 . ILE A 1 59 ? 13.581 14.413 69.864 1.00 53.92 ? 66 ILE A CD1 1 ATOM 449 N N . ALA A 1 60 ? 14.357 14.990 64.938 1.00 45.91 ? 67 ALA A N 1 ATOM 450 C CA . ALA A 1 60 ? 14.238 14.855 63.493 1.00 46.77 ? 67 ALA A CA 1 ATOM 451 C C . ALA A 1 60 ? 15.183 15.813 62.783 1.00 43.62 ? 67 ALA A C 1 ATOM 452 O O . ALA A 1 60 ? 15.962 15.407 61.922 1.00 50.89 ? 67 ALA A O 1 ATOM 453 C CB . ALA A 1 60 ? 12.804 15.112 63.054 1.00 52.34 ? 67 ALA A CB 1 ATOM 454 N N . GLY A 1 61 ? 15.115 17.084 63.160 1.00 42.98 ? 68 GLY A N 1 ATOM 455 C CA . GLY A 1 61 ? 15.945 18.104 62.550 1.00 47.01 ? 68 GLY A CA 1 ATOM 456 C C . GLY A 1 61 ? 17.418 17.871 62.813 1.00 44.45 ? 68 GLY A C 1 ATOM 457 O O . GLY A 1 61 ? 18.264 18.163 61.969 1.00 51.46 ? 68 GLY A O 1 ATOM 458 N N . TRP A 1 62 ? 17.714 17.330 63.989 1.00 40.45 ? 69 TRP A N 1 ATOM 459 C CA . TRP A 1 62 ? 19.086 17.089 64.420 1.00 41.93 ? 69 TRP A CA 1 ATOM 460 C C . TRP A 1 62 ? 19.766 15.999 63.595 1.00 44.76 ? 69 TRP A C 1 ATOM 461 O O . TRP A 1 62 ? 20.888 16.173 63.121 1.00 52.06 ? 69 TRP A O 1 ATOM 462 C CB . TRP A 1 62 ? 19.103 16.722 65.906 1.00 40.54 ? 69 TRP A CB 1 ATOM 463 C CG . TRP A 1 62 ? 20.465 16.456 66.464 1.00 52.13 ? 69 TRP A CG 1 ATOM 464 C CD1 . TRP A 1 62 ? 21.516 17.324 66.514 1.00 55.09 ? 69 TRP A CD1 1 ATOM 465 C CD2 . TRP A 1 62 ? 20.916 15.243 67.078 1.00 57.28 ? 69 TRP A CD2 1 ATOM 466 N NE1 . TRP A 1 62 ? 22.599 16.723 67.109 1.00 54.98 ? 69 TRP A NE1 1 ATOM 467 C CE2 . TRP A 1 62 ? 22.255 15.445 67.465 1.00 58.06 ? 69 TRP A CE2 1 ATOM 468 C CE3 . TRP A 1 62 ? 20.318 14.004 67.332 1.00 56.38 ? 69 TRP A CE3 1 ATOM 469 C CZ2 . TRP A 1 62 ? 23.008 14.455 68.093 1.00 63.91 ? 69 TRP A CZ2 1 ATOM 470 C CZ3 . TRP A 1 62 ? 21.067 13.022 67.955 1.00 55.73 ? 69 TRP A CZ3 1 ATOM 471 C CH2 . TRP A 1 62 ? 22.397 13.253 68.327 1.00 62.74 ? 69 TRP A CH2 1 ATOM 472 N N . LEU A 1 63 ? 19.074 14.878 63.425 1.00 39.57 ? 70 LEU A N 1 ATOM 473 C CA . LEU A 1 63 ? 19.617 13.739 62.698 1.00 36.77 ? 70 LEU A CA 1 ATOM 474 C C . LEU A 1 63 ? 19.697 13.999 61.196 1.00 37.12 ? 70 LEU A C 1 ATOM 475 O O . LEU A 1 63 ? 20.713 13.711 60.559 1.00 39.80 ? 70 LEU A O 1 ATOM 476 C CB . LEU A 1 63 ? 18.768 12.494 62.961 1.00 35.23 ? 70 LEU A CB 1 ATOM 477 C CG . LEU A 1 63 ? 18.781 11.929 64.381 1.00 30.41 ? 70 LEU A CG 1 ATOM 478 C CD1 . LEU A 1 63 ? 17.744 10.827 64.517 1.00 23.61 ? 70 LEU A CD1 1 ATOM 479 C CD2 . LEU A 1 63 ? 20.166 11.409 64.733 1.00 32.07 ? 70 LEU A CD2 1 ATOM 480 N N . LEU A 1 64 ? 18.617 14.537 60.635 1.00 26.01 ? 71 LEU A N 1 ATOM 481 C CA . LEU A 1 64 ? 18.540 14.792 59.198 1.00 39.85 ? 71 LEU A CA 1 ATOM 482 C C . LEU A 1 64 ? 19.521 15.870 58.737 1.00 51.56 ? 71 LEU A C 1 ATOM 483 O O . LEU A 1 64 ? 20.039 15.815 57.620 1.00 59.66 ? 71 LEU A O 1 ATOM 484 C CB . LEU A 1 64 ? 17.113 15.174 58.798 1.00 24.25 ? 71 LEU A CB 1 ATOM 485 C CG . LEU A 1 64 ? 16.092 14.036 58.866 1.00 38.46 ? 71 LEU A CG 1 ATOM 486 C CD1 . LEU A 1 64 ? 14.697 14.524 58.498 1.00 23.19 ? 71 LEU A CD1 1 ATOM 487 C CD2 . LEU A 1 64 ? 16.522 12.899 57.958 1.00 40.51 ? 71 LEU A CD2 1 ATOM 488 N N . GLY A 1 65 ? 19.784 16.841 59.603 1.00 46.64 ? 72 GLY A N 1 ATOM 489 C CA . GLY A 1 65 ? 20.642 17.950 59.241 1.00 40.67 ? 72 GLY A CA 1 ATOM 490 C C . GLY A 1 65 ? 19.828 19.140 58.776 1.00 44.46 ? 72 GLY A C 1 ATOM 491 O O . GLY A 1 65 ? 20.086 19.711 57.716 1.00 55.98 ? 72 GLY A O 1 ATOM 492 N N . ASN A 1 66 ? 18.829 19.500 59.573 1.00 42.89 ? 73 ASN A N 1 ATOM 493 C CA . ASN A 1 66 ? 18.035 20.694 59.332 1.00 48.37 ? 73 ASN A CA 1 ATOM 494 C C . ASN A 1 66 ? 18.938 21.922 59.415 1.00 61.06 ? 73 ASN A C 1 ATOM 495 O O . ASN A 1 66 ? 19.605 22.130 60.429 1.00 76.80 ? 73 ASN A O 1 ATOM 496 C CB . ASN A 1 66 ? 16.917 20.780 60.375 1.00 49.16 ? 73 ASN A CB 1 ATOM 497 C CG . ASN A 1 66 ? 15.784 21.697 59.955 1.00 55.35 ? 73 ASN A CG 1 ATOM 498 O OD1 . ASN A 1 66 ? 15.992 22.685 59.250 1.00 68.58 ? 73 ASN A OD1 1 ATOM 499 N ND2 . ASN A 1 66 ? 14.573 21.374 60.397 1.00 46.16 ? 73 ASN A ND2 1 ATOM 500 N N . PRO A 1 67 ? 18.975 22.728 58.342 1.00 63.37 ? 74 PRO A N 1 ATOM 501 C CA . PRO A 1 67 ? 19.812 23.934 58.272 1.00 76.44 ? 74 PRO A CA 1 ATOM 502 C C . PRO A 1 67 ? 19.548 24.932 59.403 1.00 77.26 ? 74 PRO A C 1 ATOM 503 O O . PRO A 1 67 ? 20.387 25.795 59.664 1.00 71.73 ? 74 PRO A O 1 ATOM 504 C CB . PRO A 1 67 ? 19.418 24.547 56.927 1.00 81.12 ? 74 PRO A CB 1 ATOM 505 C CG . PRO A 1 67 ? 18.992 23.385 56.104 1.00 79.21 ? 74 PRO A CG 1 ATOM 506 C CD . PRO A 1 67 ? 18.302 22.449 57.061 1.00 69.46 ? 74 PRO A CD 1 ATOM 507 N N . GLU A 1 68 ? 18.401 24.807 60.062 1.00 85.78 ? 75 GLU A N 1 ATOM 508 C CA . GLU A 1 68 ? 18.020 25.723 61.131 1.00 93.80 ? 75 GLU A CA 1 ATOM 509 C C . GLU A 1 68 ? 18.482 25.200 62.490 1.00 89.36 ? 75 GLU A C 1 ATOM 510 O O . GLU A 1 68 ? 18.107 25.728 63.538 1.00 87.70 ? 75 GLU A O 1 ATOM 511 C CB . GLU A 1 68 ? 16.503 25.916 61.125 1.00 103.89 ? 75 GLU A CB 1 ATOM 512 C CG . GLU A 1 68 ? 16.021 27.218 61.736 1.00 114.57 ? 75 GLU A CG 1 ATOM 513 C CD . GLU A 1 68 ? 14.588 27.528 61.357 1.00 119.24 ? 75 GLU A CD 1 ATOM 514 O OE1 . GLU A 1 68 ? 13.971 28.399 62.006 1.00 124.06 ? 75 GLU A OE1 1 ATOM 515 O OE2 . GLU A 1 68 ? 14.080 26.898 60.407 1.00 117.40 ? 75 GLU A OE2 1 ATOM 516 N N . CYS A 1 69 ? 19.309 24.159 62.461 1.00 79.51 ? 76 CYS A N 1 ATOM 517 C CA . CYS A 1 69 ? 19.752 23.486 63.677 1.00 72.23 ? 76 CYS A CA 1 ATOM 518 C C . CYS A 1 69 ? 21.275 23.412 63.739 1.00 80.85 ? 76 CYS A C 1 ATOM 519 O O . CYS A 1 69 ? 21.923 22.991 62.779 1.00 82.26 ? 76 CYS A O 1 ATOM 520 C CB . CYS A 1 69 ? 19.154 22.078 63.731 1.00 65.98 ? 76 CYS A CB 1 ATOM 521 S SG . CYS A 1 69 ? 19.563 21.100 65.190 1.00 93.14 ? 76 CYS A SG 1 ATOM 522 N N . ASP A 1 70 ? 21.841 23.821 64.872 1.00 92.15 ? 77 ASP A N 1 ATOM 523 C CA . ASP A 1 70 ? 23.292 23.815 65.053 1.00 97.34 ? 77 ASP A CA 1 ATOM 524 C C . ASP A 1 70 ? 23.806 22.513 65.670 1.00 102.98 ? 77 ASP A C 1 ATOM 525 O O . ASP A 1 70 ? 23.409 22.130 66.772 1.00 93.38 ? 77 ASP A O 1 ATOM 526 C CB . ASP A 1 70 ? 23.743 25.015 65.887 1.00 93.87 ? 77 ASP A CB 1 ATOM 527 C CG . ASP A 1 70 ? 23.322 26.336 65.279 1.00 97.33 ? 77 ASP A CG 1 ATOM 528 O OD1 . ASP A 1 70 ? 23.281 26.436 64.033 1.00 96.58 ? 77 ASP A OD1 1 ATOM 529 O OD2 . ASP A 1 70 ? 23.025 27.269 66.053 1.00 99.29 ? 77 ASP A OD2 1 ATOM 530 N N . ARG A 1 71 ? 24.694 21.843 64.942 1.00 113.47 ? 78 ARG A N 1 ATOM 531 C CA . ARG A 1 71 ? 25.254 20.567 65.373 1.00 115.15 ? 78 ARG A CA 1 ATOM 532 C C . ARG A 1 71 ? 26.120 20.720 66.627 1.00 128.15 ? 78 ARG A C 1 ATOM 533 O O . ARG A 1 71 ? 26.212 19.797 67.433 1.00 128.48 ? 78 ARG A O 1 ATOM 534 C CB . ARG A 1 71 ? 26.074 19.952 64.233 1.00 107.14 ? 78 ARG A CB 1 ATOM 535 C CG . ARG A 1 71 ? 26.730 18.618 64.554 1.00 106.30 ? 78 ARG A CG 1 ATOM 536 C CD . ARG A 1 71 ? 25.712 17.486 64.674 1.00 112.58 ? 78 ARG A CD 1 ATOM 537 N NE . ARG A 1 71 ? 26.317 16.291 65.257 1.00 113.08 ? 78 ARG A NE 1 ATOM 538 C CZ . ARG A 1 71 ? 25.917 15.044 65.025 1.00 99.96 ? 78 ARG A CZ 1 ATOM 539 N NH1 . ARG A 1 71 ? 24.900 14.799 64.205 1.00 80.58 ? 78 ARG A NH1 1 ATOM 540 N NH2 . ARG A 1 71 ? 26.546 14.035 65.613 1.00 99.53 ? 78 ARG A NH2 1 ATOM 541 N N . LEU A 1 72 ? 26.718 21.904 66.779 1.00 142.85 ? 79 LEU A N 1 ATOM 542 C CA . LEU A 1 72 ? 27.707 22.271 67.820 1.00 149.15 ? 79 LEU A CA 1 ATOM 543 C C . LEU A 1 72 ? 28.031 21.288 68.962 1.00 149.89 ? 79 LEU A C 1 ATOM 544 O O . LEU A 1 72 ? 29.164 21.251 69.442 1.00 146.94 ? 79 LEU A O 1 ATOM 545 C CB . LEU A 1 72 ? 27.388 23.667 68.388 1.00 149.42 ? 79 LEU A CB 1 ATOM 546 C CG . LEU A 1 72 ? 26.664 23.817 69.731 1.00 145.16 ? 79 LEU A CG 1 ATOM 547 C CD1 . LEU A 1 72 ? 27.652 24.110 70.858 1.00 144.49 ? 79 LEU A CD1 1 ATOM 548 C CD2 . LEU A 1 72 ? 25.603 24.908 69.652 1.00 141.50 ? 79 LEU A CD2 1 ATOM 549 N N . LEU A 1 73 ? 27.043 20.513 69.400 1.00 156.59 ? 80 LEU A N 1 ATOM 550 C CA . LEU A 1 73 ? 27.229 19.559 70.489 1.00 153.40 ? 80 LEU A CA 1 ATOM 551 C C . LEU A 1 73 ? 28.166 18.426 70.084 1.00 148.67 ? 80 LEU A C 1 ATOM 552 O O . LEU A 1 73 ? 29.363 18.476 70.364 1.00 149.76 ? 80 LEU A O 1 ATOM 553 C CB . LEU A 1 73 ? 25.887 18.967 70.911 1.00 148.85 ? 80 LEU A CB 1 ATOM 554 C CG . LEU A 1 73 ? 24.638 19.844 70.847 1.00 148.21 ? 80 LEU A CG 1 ATOM 555 C CD1 . LEU A 1 73 ? 23.426 18.998 71.196 1.00 150.26 ? 80 LEU A CD1 1 ATOM 556 C CD2 . LEU A 1 73 ? 24.747 21.044 71.774 1.00 146.84 ? 80 LEU A CD2 1 ATOM 557 N N . SER A 1 74 ? 27.605 17.417 69.419 1.00 126.42 ? 81 SER A N 1 ATOM 558 C CA . SER A 1 74 ? 28.336 16.210 69.020 1.00 106.65 ? 81 SER A CA 1 ATOM 559 C C . SER A 1 74 ? 28.938 15.459 70.207 1.00 97.36 ? 81 SER A C 1 ATOM 560 O O . SER A 1 74 ? 30.154 15.289 70.300 1.00 104.13 ? 81 SER A O 1 ATOM 561 C CB . SER A 1 74 ? 29.414 16.530 67.980 1.00 95.26 ? 81 SER A CB 1 ATOM 562 O OG . SER A 1 74 ? 28.829 16.994 66.777 1.00 86.97 ? 81 SER A OG 1 ATOM 563 N N . VAL A 1 75 A 28.074 15.004 71.108 1.00 80.02 ? 81 VAL A N 1 ATOM 564 C CA . VAL A 1 75 A 28.507 14.247 72.275 1.00 76.45 ? 81 VAL A CA 1 ATOM 565 C C . VAL A 1 75 A 28.368 12.750 72.012 1.00 74.47 ? 81 VAL A C 1 ATOM 566 O O . VAL A 1 75 A 27.331 12.294 71.533 1.00 82.79 ? 81 VAL A O 1 ATOM 567 C CB . VAL A 1 75 A 27.692 14.627 73.527 1.00 73.62 ? 81 VAL A CB 1 ATOM 568 C CG1 . VAL A 1 75 A 28.624 14.999 74.672 1.00 73.93 ? 81 VAL A CG1 1 ATOM 569 C CG2 . VAL A 1 75 A 26.745 15.776 73.214 1.00 69.12 ? 81 VAL A CG2 1 ATOM 570 N N . PRO A 1 76 ? 29.419 11.979 72.325 1.00 64.46 ? 82 PRO A N 1 ATOM 571 C CA . PRO A 1 76 ? 29.437 10.542 72.041 1.00 61.33 ? 82 PRO A CA 1 ATOM 572 C C . PRO A 1 76 ? 28.518 9.759 72.974 1.00 66.66 ? 82 PRO A C 1 ATOM 573 O O . PRO A 1 76 ? 28.225 8.598 72.701 1.00 66.47 ? 82 PRO A O 1 ATOM 574 C CB . PRO A 1 76 ? 30.895 10.162 72.305 1.00 53.82 ? 82 PRO A CB 1 ATOM 575 C CG . PRO A 1 76 ? 31.336 11.125 73.342 1.00 50.23 ? 82 PRO A CG 1 ATOM 576 C CD . PRO A 1 76 ? 30.655 12.421 72.994 1.00 60.30 ? 82 PRO A CD 1 ATOM 577 N N . GLU A 1 77 ? 28.069 10.389 74.054 1.00 65.75 ? 83 GLU A N 1 ATOM 578 C CA . GLU A 1 77 ? 27.281 9.699 75.069 1.00 56.06 ? 83 GLU A CA 1 ATOM 579 C C . GLU A 1 77 ? 26.445 10.701 75.856 1.00 52.18 ? 83 GLU A C 1 ATOM 580 O O . GLU A 1 77 ? 26.878 11.829 76.082 1.00 57.16 ? 83 GLU A O 1 ATOM 581 C CB . GLU A 1 77 ? 28.218 8.938 76.011 1.00 57.49 ? 83 GLU A CB 1 ATOM 582 C CG . GLU A 1 77 ? 27.526 8.066 77.042 1.00 75.51 ? 83 GLU A CG 1 ATOM 583 C CD . GLU A 1 77 ? 28.503 7.432 78.020 1.00 88.54 ? 83 GLU A CD 1 ATOM 584 O OE1 . GLU A 1 77 ? 29.639 7.942 78.139 1.00 84.38 ? 83 GLU A OE1 1 ATOM 585 O OE2 . GLU A 1 77 ? 28.138 6.425 78.668 1.00 92.66 ? 83 GLU A OE2 1 ATOM 586 N N . TRP A 1 78 ? 25.247 10.293 76.263 1.00 45.23 ? 84 TRP A N 1 ATOM 587 C CA . TRP A 1 78 ? 24.402 11.138 77.103 1.00 48.09 ? 84 TRP A CA 1 ATOM 588 C C . TRP A 1 78 ? 23.415 10.331 77.954 1.00 52.33 ? 84 TRP A C 1 ATOM 589 O O . TRP A 1 78 ? 23.117 9.171 77.658 1.00 45.71 ? 84 TRP A O 1 ATOM 590 C CB . TRP A 1 78 ? 23.665 12.195 76.270 1.00 44.20 ? 84 TRP A CB 1 ATOM 591 C CG . TRP A 1 78 ? 22.654 11.644 75.321 1.00 49.27 ? 84 TRP A CG 1 ATOM 592 C CD1 . TRP A 1 78 ? 21.384 11.247 75.616 1.00 56.71 ? 84 TRP A CD1 1 ATOM 593 C CD2 . TRP A 1 78 ? 22.818 11.449 73.912 1.00 47.88 ? 84 TRP A CD2 1 ATOM 594 N NE1 . TRP A 1 78 ? 20.751 10.803 74.481 1.00 47.81 ? 84 TRP A NE1 1 ATOM 595 C CE2 . TRP A 1 78 ? 21.611 10.919 73.421 1.00 37.63 ? 84 TRP A CE2 1 ATOM 596 C CE3 . TRP A 1 78 ? 23.875 11.666 73.021 1.00 59.32 ? 84 TRP A CE3 1 ATOM 597 C CZ2 . TRP A 1 78 ? 21.428 10.602 72.078 1.00 36.70 ? 84 TRP A CZ2 1 ATOM 598 C CZ3 . TRP A 1 78 ? 23.690 11.350 71.685 1.00 51.54 ? 84 TRP A CZ3 1 ATOM 599 C CH2 . TRP A 1 78 ? 22.476 10.825 71.227 1.00 39.54 ? 84 TRP A CH2 1 ATOM 600 N N . SER A 1 79 ? 22.906 10.967 79.006 1.00 59.28 ? 85 SER A N 1 ATOM 601 C CA . SER A 1 79 ? 22.013 10.314 79.960 1.00 55.94 ? 85 SER A CA 1 ATOM 602 C C . SER A 1 79 ? 20.543 10.539 79.618 1.00 51.12 ? 85 SER A C 1 ATOM 603 O O . SER A 1 79 ? 19.775 9.588 79.501 1.00 59.26 ? 85 SER A O 1 ATOM 604 C CB . SER A 1 79 ? 22.296 10.823 81.370 1.00 58.13 ? 85 SER A CB 1 ATOM 605 O OG . SER A 1 79 ? 22.221 12.238 81.408 1.00 72.72 ? 85 SER A OG 1 ATOM 606 N N . TYR A 1 80 ? 20.157 11.804 79.481 1.00 38.34 ? 86 TYR A N 1 ATOM 607 C CA . TYR A 1 80 ? 18.818 12.156 79.013 1.00 32.69 ? 86 TYR A CA 1 ATOM 608 C C . TYR A 1 80 ? 18.883 13.213 77.911 1.00 34.51 ? 86 TYR A C 1 ATOM 609 O O . TYR A 1 80 ? 19.968 13.592 77.471 1.00 49.15 ? 86 TYR A O 1 ATOM 610 C CB . TYR A 1 80 ? 17.913 12.610 80.169 1.00 33.79 ? 86 TYR A CB 1 ATOM 611 C CG . TYR A 1 80 ? 18.399 13.813 80.957 1.00 48.13 ? 86 TYR A CG 1 ATOM 612 C CD1 . TYR A 1 80 ? 17.865 15.078 80.735 1.00 43.66 ? 86 TYR A CD1 1 ATOM 613 C CD2 . TYR A 1 80 ? 19.375 13.678 81.941 1.00 48.34 ? 86 TYR A CD2 1 ATOM 614 C CE1 . TYR A 1 80 ? 18.297 16.175 81.463 1.00 44.49 ? 86 TYR A CE1 1 ATOM 615 C CE2 . TYR A 1 80 ? 19.814 14.771 82.671 1.00 35.94 ? 86 TYR A CE2 1 ATOM 616 C CZ . TYR A 1 80 ? 19.272 16.014 82.428 1.00 40.77 ? 86 TYR A CZ 1 ATOM 617 O OH . TYR A 1 80 ? 19.708 17.098 83.153 1.00 45.81 ? 86 TYR A OH 1 ATOM 618 N N . ILE A 1 81 ? 17.723 13.667 77.449 1.00 29.49 ? 87 ILE A N 1 ATOM 619 C CA . ILE A 1 81 ? 17.666 14.701 76.420 1.00 36.77 ? 87 ILE A CA 1 ATOM 620 C C . ILE A 1 81 ? 16.813 15.872 76.884 1.00 47.99 ? 87 ILE A C 1 ATOM 621 O O . ILE A 1 81 ? 15.677 15.686 77.318 1.00 58.49 ? 87 ILE A O 1 ATOM 622 C CB . ILE A 1 81 ? 17.064 14.172 75.108 1.00 42.72 ? 87 ILE A CB 1 ATOM 623 C CG1 . ILE A 1 81 ? 17.853 12.971 74.581 1.00 44.49 ? 87 ILE A CG1 1 ATOM 624 C CG2 . ILE A 1 81 ? 17.020 15.280 74.065 1.00 46.94 ? 87 ILE A CG2 1 ATOM 625 C CD1 . ILE A 1 81 ? 17.314 12.429 73.267 1.00 33.98 ? 87 ILE A CD1 1 ATOM 626 N N . MET A 1 82 ? 17.355 17.080 76.786 1.00 49.99 ? 88 MET A N 1 ATOM 627 C CA . MET A 1 82 ? 16.601 18.266 77.173 1.00 56.98 ? 88 MET A CA 1 ATOM 628 C C . MET A 1 82 ? 16.255 19.163 75.986 1.00 60.10 ? 88 MET A C 1 ATOM 629 O O . MET A 1 82 ? 17.048 19.321 75.057 1.00 62.91 ? 88 MET A O 1 ATOM 630 C CB . MET A 1 82 ? 17.332 19.053 78.265 1.00 62.78 ? 88 MET A CB 1 ATOM 631 C CG . MET A 1 82 ? 18.794 19.322 77.975 1.00 68.90 ? 88 MET A CG 1 ATOM 632 S SD . MET A 1 82 ? 19.615 20.083 79.387 1.00 89.63 ? 88 MET A SD 1 ATOM 633 C CE . MET A 1 82 ? 18.647 21.577 79.570 1.00 88.27 ? 88 MET A CE 1 ATOM 634 N N . GLU A 1 83 ? 15.061 19.745 76.028 1.00 57.88 ? 89 GLU A N 1 ATOM 635 C CA . GLU A 1 83 ? 14.580 20.589 74.943 1.00 68.13 ? 89 GLU A CA 1 ATOM 636 C C . GLU A 1 83 ? 13.956 21.886 75.441 1.00 80.56 ? 89 GLU A C 1 ATOM 637 O O . GLU A 1 83 ? 14.329 22.423 76.485 1.00 68.35 ? 89 GLU A O 1 ATOM 638 C CB . GLU A 1 83 ? 13.542 19.840 74.104 1.00 68.90 ? 89 GLU A CB 1 ATOM 639 C CG . GLU A 1 83 ? 14.095 18.739 73.216 1.00 70.42 ? 89 GLU A CG 1 ATOM 640 C CD . GLU A 1 83 ? 13.007 18.056 72.399 1.00 79.03 ? 89 GLU A CD 1 ATOM 641 O OE1 . GLU A 1 83 ? 11.814 18.233 72.726 1.00 78.56 ? 89 GLU A OE1 1 ATOM 642 O OE2 . GLU A 1 83 ? 13.341 17.343 71.428 1.00 85.33 ? 89 GLU A OE2 1 ATOM 643 N N . LYS A 1 84 ? 12.989 22.369 74.669 1.00 115.69 ? 90 LYS A N 1 ATOM 644 C CA . LYS A 1 84 ? 12.287 23.607 74.949 1.00 127.40 ? 90 LYS A CA 1 ATOM 645 C C . LYS A 1 84 ? 10.869 23.425 74.421 1.00 135.29 ? 90 LYS A C 1 ATOM 646 O O . LYS A 1 84 ? 10.585 22.455 73.719 1.00 132.64 ? 90 LYS A O 1 ATOM 647 C CB . LYS A 1 84 ? 12.976 24.764 74.220 1.00 128.35 ? 90 LYS A CB 1 ATOM 648 C CG . LYS A 1 84 ? 12.723 26.150 74.797 1.00 128.68 ? 90 LYS A CG 1 ATOM 649 C CD . LYS A 1 84 ? 11.750 26.963 73.953 1.00 125.10 ? 90 LYS A CD 1 ATOM 650 C CE . LYS A 1 84 ? 12.308 28.348 73.646 1.00 117.48 ? 90 LYS A CE 1 ATOM 651 N NZ . LYS A 1 84 ? 11.336 29.192 72.895 1.00 111.34 ? 90 LYS A NZ 1 ATOM 652 N N . GLU A 1 85 ? 9.980 24.347 74.765 1.00 137.33 ? 91 GLU A N 1 ATOM 653 C CA . GLU A 1 85 ? 8.636 24.362 74.204 1.00 139.87 ? 91 GLU A CA 1 ATOM 654 C C . GLU A 1 85 ? 8.681 24.645 72.698 1.00 138.31 ? 91 GLU A C 1 ATOM 655 O O . GLU A 1 85 ? 9.412 25.536 72.262 1.00 140.61 ? 91 GLU A O 1 ATOM 656 C CB . GLU A 1 85 ? 7.796 25.427 74.911 1.00 142.74 ? 91 GLU A CB 1 ATOM 657 C CG . GLU A 1 85 ? 6.654 24.881 75.741 1.00 145.38 ? 91 GLU A CG 1 ATOM 658 C CD . GLU A 1 85 ? 5.362 25.632 75.498 1.00 148.91 ? 91 GLU A CD 1 ATOM 659 O OE1 . GLU A 1 85 ? 5.114 26.639 76.195 1.00 150.17 ? 91 GLU A OE1 1 ATOM 660 O OE2 . GLU A 1 85 ? 4.596 25.219 74.604 1.00 147.84 ? 91 GLU A OE2 1 ATOM 661 N N . ASN A 1 86 ? 7.914 23.874 71.920 1.00 119.56 ? 92 ASN A N 1 ATOM 662 C CA . ASN A 1 86 ? 7.774 24.055 70.461 1.00 118.16 ? 92 ASN A CA 1 ATOM 663 C C . ASN A 1 86 ? 9.026 23.727 69.625 1.00 115.66 ? 92 ASN A C 1 ATOM 664 O O . ASN A 1 86 ? 10.127 24.188 69.937 1.00 109.77 ? 92 ASN A O 1 ATOM 665 C CB . ASN A 1 86 ? 7.268 25.467 70.127 1.00 123.09 ? 92 ASN A CB 1 ATOM 666 C CG . ASN A 1 86 ? 6.179 25.462 69.066 1.00 124.71 ? 92 ASN A CG 1 ATOM 667 O OD1 . ASN A 1 86 ? 6.085 24.543 68.249 1.00 125.04 ? 92 ASN A OD1 1 ATOM 668 N ND2 . ASN A 1 86 ? 5.352 26.498 69.071 1.00 122.32 ? 92 ASN A ND2 1 ATOM 669 N N . PRO A 1 87 ? 8.859 22.908 68.572 1.00 136.46 ? 93 PRO A N 1 ATOM 670 C CA . PRO A 1 87 ? 9.956 22.684 67.625 1.00 135.70 ? 93 PRO A CA 1 ATOM 671 C C . PRO A 1 87 ? 9.980 23.711 66.492 1.00 135.67 ? 93 PRO A C 1 ATOM 672 O O . PRO A 1 87 ? 8.918 24.122 66.013 1.00 137.71 ? 93 PRO A O 1 ATOM 673 C CB . PRO A 1 87 ? 9.653 21.294 67.054 1.00 134.49 ? 93 PRO A CB 1 ATOM 674 C CG . PRO A 1 87 ? 8.509 20.732 67.874 1.00 134.55 ? 93 PRO A CG 1 ATOM 675 C CD . PRO A 1 87 ? 7.772 21.933 68.390 1.00 137.52 ? 93 PRO A CD 1 ATOM 676 N N . ARG A 1 88 ? 11.181 24.106 66.068 1.00 121.71 ? 94 ARG A N 1 ATOM 677 C CA . ARG A 1 88 ? 11.350 24.980 64.903 1.00 111.40 ? 94 ARG A CA 1 ATOM 678 C C . ARG A 1 88 ? 12.803 24.995 64.434 1.00 95.63 ? 94 ARG A C 1 ATOM 679 O O . ARG A 1 88 ? 13.496 23.983 64.492 1.00 80.43 ? 94 ARG A O 1 ATOM 680 C CB . ARG A 1 88 ? 10.904 26.419 65.210 1.00 114.26 ? 94 ARG A CB 1 ATOM 681 C CG . ARG A 1 88 ? 11.970 27.278 65.871 1.00 119.51 ? 94 ARG A CG 1 ATOM 682 C CD . ARG A 1 88 ? 11.983 27.069 67.375 1.00 124.86 ? 94 ARG A CD 1 ATOM 683 N NE . ARG A 1 88 ? 10.795 27.642 68.000 1.00 128.43 ? 94 ARG A NE 1 ATOM 684 C CZ . ARG A 1 88 ? 10.487 27.511 69.286 1.00 127.79 ? 94 ARG A CZ 1 ATOM 685 N NH1 . ARG A 1 88 ? 11.278 26.814 70.093 1.00 129.43 ? 94 ARG A NH1 1 ATOM 686 N NH2 . ARG A 1 88 ? 9.385 28.074 69.765 1.00 124.37 ? 94 ARG A NH2 1 ATOM 687 N N . LEU A 1 91 ? 10.399 20.808 60.797 1.00 50.70 ? 96 LEU A N 1 ATOM 688 C CA . LEU A 1 91 ? 11.227 20.462 59.646 1.00 53.40 ? 96 LEU A CA 1 ATOM 689 C C . LEU A 1 91 ? 11.095 21.500 58.541 1.00 59.18 ? 96 LEU A C 1 ATOM 690 O O . LEU A 1 91 ? 10.015 22.045 58.315 1.00 57.39 ? 96 LEU A O 1 ATOM 691 C CB . LEU A 1 91 ? 10.852 19.081 59.107 1.00 52.29 ? 96 LEU A CB 1 ATOM 692 C CG . LEU A 1 91 ? 11.318 17.869 59.914 1.00 46.71 ? 96 LEU A CG 1 ATOM 693 C CD1 . LEU A 1 91 ? 10.858 16.587 59.237 1.00 48.61 ? 96 LEU A CD1 1 ATOM 694 C CD2 . LEU A 1 91 ? 12.830 17.894 60.069 1.00 29.37 ? 96 LEU A CD2 1 ATOM 695 N N . CYS A 1 92 ? 12.198 21.763 57.849 1.00 71.45 ? 97 CYS A N 1 ATOM 696 C CA . CYS A 1 92 ? 12.228 22.800 56.824 1.00 72.58 ? 97 CYS A CA 1 ATOM 697 C C . CYS A 1 92 ? 11.406 22.399 55.602 1.00 69.47 ? 97 CYS A C 1 ATOM 698 O O . CYS A 1 92 ? 10.613 23.188 55.088 1.00 69.97 ? 97 CYS A O 1 ATOM 699 C CB . CYS A 1 92 ? 13.670 23.108 56.421 1.00 72.81 ? 97 CYS A CB 1 ATOM 700 S SG . CYS A 1 92 ? 14.517 21.760 55.576 1.00 183.98 ? 97 CYS A SG 1 ATOM 701 N N . TYR A 1 93 ? 11.608 21.169 55.142 1.00 58.02 ? 98 TYR A N 1 ATOM 702 C CA . TYR A 1 93 ? 10.798 20.605 54.072 1.00 49.24 ? 98 TYR A CA 1 ATOM 703 C C . TYR A 1 93 ? 9.693 19.778 54.710 1.00 43.38 ? 98 TYR A C 1 ATOM 704 O O . TYR A 1 93 ? 9.966 18.777 55.372 1.00 49.77 ? 98 TYR A O 1 ATOM 705 C CB . TYR A 1 93 ? 11.652 19.727 53.154 1.00 55.16 ? 98 TYR A CB 1 ATOM 706 C CG . TYR A 1 93 ? 11.099 19.569 51.754 1.00 59.40 ? 98 TYR A CG 1 ATOM 707 C CD1 . TYR A 1 93 ? 11.773 20.095 50.659 1.00 55.67 ? 98 TYR A CD1 1 ATOM 708 C CD2 . TYR A 1 93 ? 9.903 18.900 51.527 1.00 61.04 ? 98 TYR A CD2 1 ATOM 709 C CE1 . TYR A 1 93 ? 11.276 19.957 49.380 1.00 52.50 ? 98 TYR A CE1 1 ATOM 710 C CE2 . TYR A 1 93 ? 9.394 18.761 50.248 1.00 56.10 ? 98 TYR A CE2 1 ATOM 711 C CZ . TYR A 1 93 ? 10.085 19.291 49.178 1.00 56.01 ? 98 TYR A CZ 1 ATOM 712 O OH . TYR A 1 93 ? 9.587 19.155 47.901 1.00 60.51 ? 98 TYR A OH 1 ATOM 713 N N . PRO A 1 94 ? 8.435 20.196 54.511 1.00 29.87 ? 99 PRO A N 1 ATOM 714 C CA . PRO A 1 94 ? 7.273 19.575 55.156 1.00 28.39 ? 99 PRO A CA 1 ATOM 715 C C . PRO A 1 94 ? 7.178 18.078 54.886 1.00 39.93 ? 99 PRO A C 1 ATOM 716 O O . PRO A 1 94 ? 7.665 17.597 53.864 1.00 50.76 ? 99 PRO A O 1 ATOM 717 C CB . PRO A 1 94 ? 6.081 20.306 54.518 1.00 31.56 ? 99 PRO A CB 1 ATOM 718 C CG . PRO A 1 94 ? 6.619 20.898 53.254 1.00 40.97 ? 99 PRO A CG 1 ATOM 719 C CD . PRO A 1 94 ? 8.038 21.253 53.567 1.00 30.11 ? 99 PRO A CD 1 ATOM 720 N N . GLY A 1 95 ? 6.560 17.352 55.809 1.00 45.80 ? 100 GLY A N 1 ATOM 721 C CA . GLY A 1 95 ? 6.413 15.918 55.669 1.00 46.23 ? 100 GLY A CA 1 ATOM 722 C C . GLY A 1 95 ? 6.158 15.243 57.000 1.00 38.06 ? 100 GLY A C 1 ATOM 723 O O . GLY A 1 95 ? 5.652 15.858 57.937 1.00 42.14 ? 100 GLY A O 1 ATOM 724 N N . SER A 1 96 ? 6.517 13.969 57.085 1.00 27.83 ? 101 SER A N 1 ATOM 725 C CA . SER A 1 96 ? 6.274 13.196 58.290 1.00 32.74 ? 101 SER A CA 1 ATOM 726 C C . SER A 1 96 ? 7.449 12.274 58.580 1.00 35.78 ? 101 SER A C 1 ATOM 727 O O . SER A 1 96 ? 8.292 12.032 57.718 1.00 40.86 ? 101 SER A O 1 ATOM 728 C CB . SER A 1 96 ? 4.996 12.371 58.144 1.00 42.08 ? 101 SER A CB 1 ATOM 729 O OG . SER A 1 96 ? 5.173 11.327 57.203 1.00 42.66 ? 101 SER A OG 1 ATOM 730 N N . PHE A 1 97 ? 7.492 11.760 59.802 1.00 34.86 ? 102 PHE A N 1 ATOM 731 C CA . PHE A 1 97 ? 8.536 10.841 60.215 1.00 33.20 ? 102 PHE A CA 1 ATOM 732 C C . PHE A 1 97 ? 7.870 9.589 60.771 1.00 42.74 ? 102 PHE A C 1 ATOM 733 O O . PHE A 1 97 ? 7.142 9.655 61.761 1.00 58.21 ? 102 PHE A O 1 ATOM 734 C CB . PHE A 1 97 ? 9.399 11.492 61.291 1.00 32.76 ? 102 PHE A CB 1 ATOM 735 C CG . PHE A 1 97 ? 10.849 11.115 61.225 1.00 33.48 ? 102 PHE A CG 1 ATOM 736 C CD1 . PHE A 1 97 ? 11.803 12.051 60.863 1.00 33.21 ? 102 PHE A CD1 1 ATOM 737 C CD2 . PHE A 1 97 ? 11.262 9.830 61.539 1.00 39.75 ? 102 PHE A CD2 1 ATOM 738 C CE1 . PHE A 1 97 ? 13.145 11.714 60.809 1.00 34.92 ? 102 PHE A CE1 1 ATOM 739 C CE2 . PHE A 1 97 ? 12.604 9.484 61.486 1.00 34.46 ? 102 PHE A CE2 1 ATOM 740 C CZ . PHE A 1 97 ? 13.546 10.428 61.120 1.00 29.29 ? 102 PHE A CZ 1 ATOM 741 N N . ASN A 1 98 ? 8.112 8.452 60.128 1.00 27.58 ? 103 ASN A N 1 ATOM 742 C CA . ASN A 1 98 ? 7.506 7.197 60.556 1.00 24.39 ? 103 ASN A CA 1 ATOM 743 C C . ASN A 1 98 ? 8.145 6.620 61.819 1.00 31.50 ? 103 ASN A C 1 ATOM 744 O O . ASN A 1 98 ? 9.370 6.565 61.940 1.00 43.68 ? 103 ASN A O 1 ATOM 745 C CB . ASN A 1 98 ? 7.526 6.179 59.418 1.00 23.35 ? 103 ASN A CB 1 ATOM 746 C CG . ASN A 1 98 ? 6.600 6.567 58.284 1.00 43.89 ? 103 ASN A CG 1 ATOM 747 O OD1 . ASN A 1 98 ? 5.510 7.093 58.514 1.00 50.47 ? 103 ASN A OD1 1 ATOM 748 N ND2 . ASN A 1 98 ? 7.031 6.318 57.052 1.00 53.19 ? 103 ASN A ND2 1 ATOM 749 N N . ASP A 1 99 ? 7.295 6.192 62.749 1.00 26.10 ? 104 ASP A N 1 ATOM 750 C CA . ASP A 1 99 ? 7.719 5.691 64.055 1.00 32.84 ? 104 ASP A CA 1 ATOM 751 C C . ASP A 1 99 ? 8.620 6.682 64.782 1.00 38.40 ? 104 ASP A C 1 ATOM 752 O O . ASP A 1 99 ? 9.597 6.292 65.421 1.00 43.87 ? 104 ASP A O 1 ATOM 753 C CB . ASP A 1 99 ? 8.398 4.325 63.928 1.00 35.75 ? 104 ASP A CB 1 ATOM 754 C CG . ASP A 1 99 ? 7.437 3.240 63.475 1.00 56.29 ? 104 ASP A CG 1 ATOM 755 O OD1 . ASP A 1 99 ? 6.230 3.347 63.785 1.00 67.66 ? 104 ASP A OD1 1 ATOM 756 O OD2 . ASP A 1 99 ? 7.887 2.286 62.805 1.00 62.99 ? 104 ASP A OD2 1 ATOM 757 N N . TYR A 1 100 ? 8.274 7.962 64.685 1.00 35.79 ? 105 TYR A N 1 ATOM 758 C CA . TYR A 1 100 ? 9.080 9.030 65.267 1.00 30.30 ? 105 TYR A CA 1 ATOM 759 C C . TYR A 1 100 ? 9.246 8.895 66.779 1.00 36.12 ? 105 TYR A C 1 ATOM 760 O O . TYR A 1 100 ? 10.330 9.137 67.313 1.00 41.79 ? 105 TYR A O 1 ATOM 761 C CB . TYR A 1 100 ? 8.488 10.399 64.919 1.00 24.10 ? 105 TYR A CB 1 ATOM 762 C CG . TYR A 1 100 ? 9.334 11.566 65.368 1.00 17.92 ? 105 TYR A CG 1 ATOM 763 C CD1 . TYR A 1 100 ? 10.669 11.654 65.006 1.00 25.34 ? 105 TYR A CD1 1 ATOM 764 C CD2 . TYR A 1 100 ? 8.796 12.587 66.140 1.00 38.51 ? 105 TYR A CD2 1 ATOM 765 C CE1 . TYR A 1 100 ? 11.450 12.718 65.409 1.00 22.39 ? 105 TYR A CE1 1 ATOM 766 C CE2 . TYR A 1 100 ? 9.569 13.658 66.546 1.00 37.54 ? 105 TYR A CE2 1 ATOM 767 C CZ . TYR A 1 100 ? 10.897 13.718 66.177 1.00 32.97 ? 105 TYR A CZ 1 ATOM 768 O OH . TYR A 1 100 ? 11.676 14.781 66.579 1.00 43.23 ? 105 TYR A OH 1 ATOM 769 N N . GLU A 1 101 ? 8.176 8.501 67.463 1.00 45.75 ? 106 GLU A N 1 ATOM 770 C CA . GLU A 1 101 ? 8.201 8.405 68.919 1.00 47.63 ? 106 GLU A CA 1 ATOM 771 C C . GLU A 1 101 ? 9.125 7.286 69.383 1.00 45.83 ? 106 GLU A C 1 ATOM 772 O O . GLU A 1 101 ? 9.908 7.462 70.318 1.00 42.29 ? 106 GLU A O 1 ATOM 773 C CB . GLU A 1 101 ? 6.794 8.191 69.475 1.00 52.64 ? 106 GLU A CB 1 ATOM 774 C CG . GLU A 1 101 ? 6.404 9.185 70.556 1.00 64.74 ? 106 GLU A CG 1 ATOM 775 C CD . GLU A 1 101 ? 6.010 10.535 69.988 1.00 80.09 ? 106 GLU A CD 1 ATOM 776 O OE1 . GLU A 1 101 ? 5.702 10.601 68.779 1.00 80.16 ? 106 GLU A OE1 1 ATOM 777 O OE2 . GLU A 1 101 ? 6.009 11.528 70.748 1.00 89.60 ? 106 GLU A OE2 1 ATOM 778 N N . GLU A 1 102 ? 9.026 6.136 68.722 1.00 41.83 ? 107 GLU A N 1 ATOM 779 C CA . GLU A 1 102 ? 9.918 5.015 68.984 1.00 32.03 ? 107 GLU A CA 1 ATOM 780 C C . GLU A 1 102 ? 11.376 5.434 68.841 1.00 38.80 ? 107 GLU A C 1 ATOM 781 O O . GLU A 1 102 ? 12.236 4.970 69.587 1.00 52.71 ? 107 GLU A O 1 ATOM 782 C CB . GLU A 1 102 ? 9.618 3.857 68.032 1.00 33.60 ? 107 GLU A CB 1 ATOM 783 C CG . GLU A 1 102 ? 8.398 3.036 68.413 1.00 54.36 ? 107 GLU A CG 1 ATOM 784 C CD . GLU A 1 102 ? 8.675 2.070 69.553 1.00 64.58 ? 107 GLU A CD 1 ATOM 785 O OE1 . GLU A 1 102 ? 9.852 1.684 69.734 1.00 56.83 ? 107 GLU A OE1 1 ATOM 786 O OE2 . GLU A 1 102 ? 7.716 1.699 70.267 1.00 66.44 ? 107 GLU A OE2 1 ATOM 787 N N . LEU A 1 103 ? 11.648 6.319 67.887 1.00 32.42 ? 108 LEU A N 1 ATOM 788 C CA . LEU A 1 103 ? 13.008 6.796 67.664 1.00 31.86 ? 108 LEU A CA 1 ATOM 789 C C . LEU A 1 103 ? 13.462 7.718 68.790 1.00 40.60 ? 108 LEU A C 1 ATOM 790 O O . LEU A 1 103 ? 14.611 7.655 69.228 1.00 47.05 ? 108 LEU A O 1 ATOM 791 C CB . LEU A 1 103 ? 13.128 7.506 66.313 1.00 28.94 ? 108 LEU A CB 1 ATOM 792 C CG . LEU A 1 103 ? 14.515 8.057 65.969 1.00 31.61 ? 108 LEU A CG 1 ATOM 793 C CD1 . LEU A 1 103 ? 15.567 6.959 66.021 1.00 31.32 ? 108 LEU A CD1 1 ATOM 794 C CD2 . LEU A 1 103 ? 14.508 8.729 64.601 1.00 31.48 ? 108 LEU A CD2 1 ATOM 795 N N . LYS A 1 104 ? 12.554 8.571 69.258 1.00 37.14 ? 109 LYS A N 1 ATOM 796 C CA . LYS A 1 104 ? 12.868 9.485 70.350 1.00 35.03 ? 109 LYS A CA 1 ATOM 797 C C . LYS A 1 104 ? 13.172 8.707 71.624 1.00 32.80 ? 109 LYS A C 1 ATOM 798 O O . LYS A 1 104 ? 14.073 9.066 72.382 1.00 40.60 ? 109 LYS A O 1 ATOM 799 C CB . LYS A 1 104 ? 11.725 10.474 70.595 1.00 19.57 ? 109 LYS A CB 1 ATOM 800 C CG . LYS A 1 104 ? 11.402 11.359 69.401 1.00 24.30 ? 109 LYS A CG 1 ATOM 801 C CD . LYS A 1 104 ? 10.503 12.522 69.793 1.00 26.22 ? 109 LYS A CD 1 ATOM 802 C CE . LYS A 1 104 ? 9.187 12.046 70.385 1.00 31.51 ? 109 LYS A CE 1 ATOM 803 N NZ . LYS A 1 104 ? 8.322 13.183 70.823 1.00 29.56 ? 109 LYS A NZ 1 ATOM 804 N N . TYR A 1 105 ? 12.415 7.640 71.854 1.00 34.67 ? 110 TYR A N 1 ATOM 805 C CA . TYR A 1 105 ? 12.643 6.790 73.014 1.00 40.28 ? 110 TYR A CA 1 ATOM 806 C C . TYR A 1 105 ? 13.975 6.058 72.887 1.00 44.41 ? 110 TYR A C 1 ATOM 807 O O . TYR A 1 105 ? 14.698 5.893 73.870 1.00 52.59 ? 110 TYR A O 1 ATOM 808 C CB . TYR A 1 105 ? 11.490 5.798 73.193 1.00 37.91 ? 110 TYR A CB 1 ATOM 809 C CG . TYR A 1 105 ? 11.778 4.678 74.169 1.00 37.56 ? 110 TYR A CG 1 ATOM 810 C CD1 . TYR A 1 105 ? 11.569 4.844 75.530 1.00 34.25 ? 110 TYR A CD1 1 ATOM 811 C CD2 . TYR A 1 105 ? 12.249 3.448 73.724 1.00 59.82 ? 110 TYR A CD2 1 ATOM 812 C CE1 . TYR A 1 105 ? 11.828 3.821 76.420 1.00 58.85 ? 110 TYR A CE1 1 ATOM 813 C CE2 . TYR A 1 105 ? 12.511 2.422 74.605 1.00 75.14 ? 110 TYR A CE2 1 ATOM 814 C CZ . TYR A 1 105 ? 12.298 2.610 75.950 1.00 81.71 ? 110 TYR A CZ 1 ATOM 815 O OH . TYR A 1 105 ? 12.563 1.578 76.824 1.00 97.76 ? 110 TYR A OH 1 ATOM 816 N N . LEU A 1 106 ? 14.293 5.625 71.671 1.00 38.96 ? 111 LEU A N 1 ATOM 817 C CA . LEU A 1 106 ? 15.532 4.898 71.419 1.00 38.79 ? 111 LEU A CA 1 ATOM 818 C C . LEU A 1 106 ? 16.742 5.777 71.703 1.00 39.98 ? 111 LEU A C 1 ATOM 819 O O . LEU A 1 106 ? 17.749 5.316 72.244 1.00 43.80 ? 111 LEU A O 1 ATOM 820 C CB . LEU A 1 106 ? 15.586 4.411 69.970 1.00 35.58 ? 111 LEU A CB 1 ATOM 821 C CG . LEU A 1 106 ? 16.936 3.848 69.513 1.00 32.29 ? 111 LEU A CG 1 ATOM 822 C CD1 . LEU A 1 106 ? 16.957 2.327 69.581 1.00 21.94 ? 111 LEU A CD1 1 ATOM 823 C CD2 . LEU A 1 106 ? 17.281 4.339 68.115 1.00 33.00 ? 111 LEU A CD2 1 ATOM 824 N N . LEU A 1 107 ? 16.626 7.050 71.342 1.00 38.58 ? 112 LEU A N 1 ATOM 825 C CA . LEU A 1 107 ? 17.738 7.984 71.452 1.00 37.43 ? 112 LEU A CA 1 ATOM 826 C C . LEU A 1 107 ? 17.731 8.752 72.769 1.00 44.90 ? 112 LEU A C 1 ATOM 827 O O . LEU A 1 107 ? 18.599 9.594 73.000 1.00 44.96 ? 112 LEU A O 1 ATOM 828 C CB . LEU A 1 107 ? 17.729 8.962 70.276 1.00 28.53 ? 112 LEU A CB 1 ATOM 829 C CG . LEU A 1 107 ? 18.033 8.353 68.908 1.00 34.74 ? 112 LEU A CG 1 ATOM 830 C CD1 . LEU A 1 107 ? 17.774 9.364 67.811 1.00 33.30 ? 112 LEU A CD1 1 ATOM 831 C CD2 . LEU A 1 107 ? 19.470 7.873 68.857 1.00 38.67 ? 112 LEU A CD2 1 ATOM 832 N N . SER A 1 108 ? 16.760 8.453 73.630 1.00 35.44 ? 113 SER A N 1 ATOM 833 C CA . SER A 1 108 ? 16.644 9.126 74.923 1.00 34.53 ? 113 SER A CA 1 ATOM 834 C C . SER A 1 108 ? 17.895 8.925 75.784 1.00 39.92 ? 113 SER A C 1 ATOM 835 O O . SER A 1 108 ? 18.174 9.718 76.679 1.00 37.91 ? 113 SER A O 1 ATOM 836 C CB . SER A 1 108 ? 15.405 8.639 75.675 1.00 39.12 ? 113 SER A CB 1 ATOM 837 O OG . SER A 1 108 ? 15.554 7.288 76.074 1.00 54.53 ? 113 SER A OG 1 ATOM 838 N N . SER A 1 109 ? 18.638 7.859 75.506 1.00 44.61 ? 114 SER A N 1 ATOM 839 C CA . SER A 1 109 ? 19.909 7.597 76.169 1.00 36.83 ? 114 SER A CA 1 ATOM 840 C C . SER A 1 109 ? 20.774 6.701 75.294 1.00 43.32 ? 114 SER A C 1 ATOM 841 O O . SER A 1 109 ? 20.279 5.750 74.690 1.00 47.70 ? 114 SER A O 1 ATOM 842 C CB . SER A 1 109 ? 19.684 6.914 77.517 1.00 34.17 ? 114 SER A CB 1 ATOM 843 O OG . SER A 1 109 ? 20.169 5.578 77.489 1.00 50.48 ? 114 SER A OG 1 ATOM 844 N N . VAL A 1 110 ? 22.066 7.004 75.228 1.00 42.01 ? 115 VAL A N 1 ATOM 845 C CA . VAL A 1 110 ? 23.009 6.167 74.494 1.00 36.74 ? 115 VAL A CA 1 ATOM 846 C C . VAL A 1 110 ? 24.312 5.992 75.265 1.00 43.98 ? 115 VAL A C 1 ATOM 847 O O . VAL A 1 110 ? 24.706 6.859 76.047 1.00 40.95 ? 115 VAL A O 1 ATOM 848 C CB . VAL A 1 110 ? 23.347 6.747 73.101 1.00 27.70 ? 115 VAL A CB 1 ATOM 849 C CG1 . VAL A 1 110 ? 22.102 6.820 72.221 1.00 25.55 ? 115 VAL A CG1 1 ATOM 850 C CG2 . VAL A 1 110 ? 23.991 8.113 73.236 1.00 29.87 ? 115 VAL A CG2 1 ATOM 851 N N . LYS A 1 111 ? 24.976 4.862 75.046 1.00 64.48 ? 116 LYS A N 1 ATOM 852 C CA . LYS A 1 111 ? 26.308 4.639 75.591 1.00 60.53 ? 116 LYS A CA 1 ATOM 853 C C . LYS A 1 111 ? 27.330 5.177 74.601 1.00 59.08 ? 116 LYS A C 1 ATOM 854 O O . LYS A 1 111 ? 28.361 5.721 74.989 1.00 67.34 ? 116 LYS A O 1 ATOM 855 C CB . LYS A 1 111 ? 26.554 3.150 75.847 1.00 60.95 ? 116 LYS A CB 1 ATOM 856 C CG . LYS A 1 111 ? 27.910 2.840 76.473 1.00 67.11 ? 116 LYS A CG 1 ATOM 857 C CD . LYS A 1 111 ? 28.229 1.351 76.420 1.00 72.21 ? 116 LYS A CD 1 ATOM 858 C CE . LYS A 1 111 ? 28.553 0.800 77.801 1.00 75.65 ? 116 LYS A CE 1 ATOM 859 N NZ . LYS A 1 111 ? 29.547 1.636 78.531 1.00 74.68 ? 116 LYS A NZ 1 ATOM 860 N N . HIS A 1 112 A 27.032 5.024 73.314 1.00 45.98 ? 116 HIS A N 1 ATOM 861 C CA . HIS A 1 112 A 27.912 5.519 72.262 1.00 54.80 ? 116 HIS A CA 1 ATOM 862 C C . HIS A 1 112 A 27.116 5.949 71.030 1.00 57.62 ? 116 HIS A C 1 ATOM 863 O O . HIS A 1 112 A 26.231 5.226 70.569 1.00 42.41 ? 116 HIS A O 1 ATOM 864 C CB . HIS A 1 112 A 28.950 4.460 71.886 1.00 65.12 ? 116 HIS A CB 1 ATOM 865 C CG . HIS A 1 112 A 30.126 5.006 71.137 1.00 71.56 ? 116 HIS A CG 1 ATOM 866 N ND1 . HIS A 1 112 A 30.224 4.953 69.765 1.00 69.27 ? 116 HIS A ND1 1 ATOM 867 C CD2 . HIS A 1 112 A 31.251 5.621 71.575 1.00 80.33 ? 116 HIS A CD2 1 ATOM 868 C CE1 . HIS A 1 112 A 31.363 5.511 69.387 1.00 78.88 ? 116 HIS A CE1 1 ATOM 869 N NE2 . HIS A 1 112 A 32.002 5.923 70.464 1.00 84.63 ? 116 HIS A NE2 1 ATOM 870 N N . PHE A 1 113 B 27.437 7.128 70.503 1.00 66.38 ? 116 PHE A N 1 ATOM 871 C CA . PHE A 1 113 B 26.755 7.664 69.327 1.00 55.20 ? 116 PHE A CA 1 ATOM 872 C C . PHE A 1 113 B 27.752 8.375 68.419 1.00 64.53 ? 116 PHE A C 1 ATOM 873 O O . PHE A 1 113 B 28.310 9.409 68.784 1.00 70.25 ? 116 PHE A O 1 ATOM 874 C CB . PHE A 1 113 B 25.638 8.623 69.745 1.00 41.26 ? 116 PHE A CB 1 ATOM 875 C CG . PHE A 1 113 B 24.706 9.001 68.626 1.00 45.55 ? 116 PHE A CG 1 ATOM 876 C CD1 . PHE A 1 113 B 23.598 8.219 68.335 1.00 53.01 ? 116 PHE A CD1 1 ATOM 877 C CD2 . PHE A 1 113 B 24.928 10.146 67.876 1.00 46.04 ? 116 PHE A CD2 1 ATOM 878 C CE1 . PHE A 1 113 B 22.733 8.567 67.310 1.00 51.03 ? 116 PHE A CE1 1 ATOM 879 C CE2 . PHE A 1 113 B 24.068 10.500 66.849 1.00 41.01 ? 116 PHE A CE2 1 ATOM 880 C CZ . PHE A 1 113 B 22.969 9.709 66.566 1.00 43.21 ? 116 PHE A CZ 1 ATOM 881 N N . GLU A 1 114 C 27.972 7.812 67.236 1.00 70.33 ? 116 GLU A N 1 ATOM 882 C CA . GLU A 1 114 C 28.993 8.314 66.323 1.00 69.08 ? 116 GLU A CA 1 ATOM 883 C C . GLU A 1 114 C 28.477 8.361 64.888 1.00 67.03 ? 116 GLU A C 1 ATOM 884 O O . GLU A 1 114 C 28.109 7.334 64.316 1.00 65.56 ? 116 GLU A O 1 ATOM 885 C CB . GLU A 1 114 C 30.249 7.439 66.409 1.00 70.75 ? 116 GLU A CB 1 ATOM 886 C CG . GLU A 1 114 C 31.400 7.886 65.521 1.00 76.91 ? 116 GLU A CG 1 ATOM 887 C CD . GLU A 1 114 C 32.610 6.970 65.621 1.00 81.32 ? 116 GLU A CD 1 ATOM 888 O OE1 . GLU A 1 114 C 32.604 6.055 66.474 1.00 79.12 ? 116 GLU A OE1 1 ATOM 889 O OE2 . GLU A 1 114 C 33.569 7.164 64.844 1.00 80.52 ? 116 GLU A OE2 1 ATOM 890 N N . LYS A 1 115 ? 28.445 9.560 64.313 1.00 59.63 ? 117 LYS A N 1 ATOM 891 C CA . LYS A 1 115 ? 28.000 9.731 62.935 1.00 53.77 ? 117 LYS A CA 1 ATOM 892 C C . LYS A 1 115 ? 29.110 9.373 61.955 1.00 49.44 ? 117 LYS A C 1 ATOM 893 O O . LYS A 1 115 ? 30.186 9.968 61.981 1.00 53.14 ? 117 LYS A O 1 ATOM 894 C CB . LYS A 1 115 ? 27.525 11.165 62.684 1.00 53.27 ? 117 LYS A CB 1 ATOM 895 C CG . LYS A 1 115 ? 27.052 11.406 61.256 1.00 57.91 ? 117 LYS A CG 1 ATOM 896 C CD . LYS A 1 115 ? 26.414 12.778 61.087 1.00 69.08 ? 117 LYS A CD 1 ATOM 897 C CE . LYS A 1 115 ? 27.423 13.821 60.630 1.00 69.46 ? 117 LYS A CE 1 ATOM 898 N NZ . LYS A 1 115 ? 26.769 15.135 60.358 1.00 61.24 ? 117 LYS A NZ 1 ATOM 899 N N . VAL A 1 116 ? 28.842 8.398 61.092 1.00 45.41 ? 118 VAL A N 1 ATOM 900 C CA . VAL A 1 116 ? 29.816 7.965 60.097 1.00 44.67 ? 118 VAL A CA 1 ATOM 901 C C . VAL A 1 116 ? 29.235 7.997 58.687 1.00 51.02 ? 118 VAL A C 1 ATOM 902 O O . VAL A 1 116 ? 28.033 7.813 58.493 1.00 51.72 ? 118 VAL A O 1 ATOM 903 C CB . VAL A 1 116 ? 30.340 6.547 60.401 1.00 52.17 ? 118 VAL A CB 1 ATOM 904 C CG1 . VAL A 1 116 ? 31.045 6.520 61.751 1.00 60.13 ? 118 VAL A CG1 1 ATOM 905 C CG2 . VAL A 1 116 ? 29.203 5.538 60.367 1.00 42.88 ? 118 VAL A CG2 1 ATOM 906 N N . LYS A 1 117 ? 30.099 8.234 57.704 1.00 59.04 ? 119 LYS A N 1 ATOM 907 C CA . LYS A 1 117 ? 29.679 8.307 56.309 1.00 50.13 ? 119 LYS A CA 1 ATOM 908 C C . LYS A 1 117 ? 29.543 6.909 55.712 1.00 47.47 ? 119 LYS A C 1 ATOM 909 O O . LYS A 1 117 ? 30.443 6.078 55.847 1.00 42.41 ? 119 LYS A O 1 ATOM 910 C CB . LYS A 1 117 ? 30.670 9.148 55.497 1.00 40.06 ? 119 LYS A CB 1 ATOM 911 C CG . LYS A 1 117 ? 30.297 9.334 54.031 1.00 45.79 ? 119 LYS A CG 1 ATOM 912 C CD . LYS A 1 117 ? 31.137 10.425 53.380 1.00 55.51 ? 119 LYS A CD 1 ATOM 913 C CE . LYS A 1 117 ? 30.965 11.753 54.107 1.00 66.16 ? 119 LYS A CE 1 ATOM 914 N NZ . LYS A 1 117 ? 31.756 12.855 53.488 1.00 70.42 ? 119 LYS A NZ 1 ATOM 915 N N . ILE A 1 118 ? 28.415 6.650 55.059 1.00 48.19 ? 120 ILE A N 1 ATOM 916 C CA . ILE A 1 118 ? 28.148 5.325 54.516 1.00 55.44 ? 120 ILE A CA 1 ATOM 917 C C . ILE A 1 118 ? 27.935 5.330 53.000 1.00 57.99 ? 120 ILE A C 1 ATOM 918 O O . ILE A 1 118 ? 28.502 4.502 52.288 1.00 53.99 ? 120 ILE A O 1 ATOM 919 C CB . ILE A 1 118 ? 26.952 4.661 55.226 1.00 54.56 ? 120 ILE A CB 1 ATOM 920 C CG1 . ILE A 1 118 ? 25.770 5.629 55.330 1.00 52.53 ? 120 ILE A CG1 1 ATOM 921 C CG2 . ILE A 1 118 ? 27.355 4.205 56.620 1.00 54.99 ? 120 ILE A CG2 1 ATOM 922 C CD1 . ILE A 1 118 ? 24.555 5.046 56.014 1.00 47.59 ? 120 ILE A CD1 1 ATOM 923 N N . LEU A 1 119 ? 27.122 6.263 52.514 1.00 53.28 ? 121 LEU A N 1 ATOM 924 C CA . LEU A 1 119 ? 26.866 6.392 51.084 1.00 56.73 ? 121 LEU A CA 1 ATOM 925 C C . LEU A 1 119 ? 27.186 7.811 50.632 1.00 62.53 ? 121 LEU A C 1 ATOM 926 O O . LEU A 1 119 ? 26.298 8.661 50.579 1.00 64.15 ? 121 LEU A O 1 ATOM 927 C CB . LEU A 1 119 ? 25.410 6.052 50.766 1.00 51.89 ? 121 LEU A CB 1 ATOM 928 C CG . LEU A 1 119 ? 24.917 4.656 51.153 1.00 44.47 ? 121 LEU A CG 1 ATOM 929 C CD1 . LEU A 1 119 ? 23.417 4.557 50.953 1.00 38.24 ? 121 LEU A CD1 1 ATOM 930 C CD2 . LEU A 1 119 ? 25.636 3.575 50.357 1.00 45.27 ? 121 LEU A CD2 1 ATOM 931 N N . PRO A 1 120 ? 28.465 8.065 50.308 1.00 55.09 ? 122 PRO A N 1 ATOM 932 C CA . PRO A 1 120 ? 29.011 9.386 49.973 1.00 52.93 ? 122 PRO A CA 1 ATOM 933 C C . PRO A 1 120 ? 28.221 10.072 48.870 1.00 54.51 ? 122 PRO A C 1 ATOM 934 O O . PRO A 1 120 ? 27.775 9.413 47.939 1.00 41.57 ? 122 PRO A O 1 ATOM 935 C CB . PRO A 1 120 ? 30.422 9.061 49.481 1.00 50.33 ? 122 PRO A CB 1 ATOM 936 C CG . PRO A 1 120 ? 30.768 7.791 50.171 1.00 43.97 ? 122 PRO A CG 1 ATOM 937 C CD . PRO A 1 120 ? 29.491 7.013 50.212 1.00 47.27 ? 122 PRO A CD 1 ATOM 938 N N . LYS A 1 121 ? 28.058 11.385 48.981 1.00 70.96 ? 123 LYS A N 1 ATOM 939 C CA . LYS A 1 121 ? 27.218 12.137 48.055 1.00 63.21 ? 123 LYS A CA 1 ATOM 940 C C . LYS A 1 121 ? 27.675 11.979 46.608 1.00 60.62 ? 123 LYS A C 1 ATOM 941 O O . LYS A 1 121 ? 26.859 11.915 45.692 1.00 63.89 ? 123 LYS A O 1 ATOM 942 C CB . LYS A 1 121 ? 27.200 13.620 48.435 1.00 57.35 ? 123 LYS A CB 1 ATOM 943 C CG . LYS A 1 121 ? 26.097 14.411 47.754 1.00 50.74 ? 123 LYS A CG 1 ATOM 944 C CD . LYS A 1 121 ? 26.191 15.901 48.062 1.00 59.50 ? 123 LYS A CD 1 ATOM 945 C CE . LYS A 1 121 ? 26.140 16.164 49.558 1.00 72.81 ? 123 LYS A CE 1 ATOM 946 N NZ . LYS A 1 121 ? 24.856 15.710 50.164 1.00 78.38 ? 123 LYS A NZ 1 ATOM 947 N N . ASP A 1 122 ? 28.986 11.904 46.411 1.00 52.52 ? 125 ASP A N 1 ATOM 948 C CA . ASP A 1 122 ? 29.556 11.880 45.069 1.00 53.60 ? 125 ASP A CA 1 ATOM 949 C C . ASP A 1 122 ? 29.632 10.479 44.464 1.00 48.81 ? 125 ASP A C 1 ATOM 950 O O . ASP A 1 122 ? 30.185 10.301 43.379 1.00 51.99 ? 125 ASP A O 1 ATOM 951 C CB . ASP A 1 122 ? 30.944 12.522 45.075 1.00 67.51 ? 125 ASP A CB 1 ATOM 952 C CG . ASP A 1 122 ? 31.829 11.979 46.178 1.00 79.04 ? 125 ASP A CG 1 ATOM 953 O OD1 . ASP A 1 122 ? 32.593 11.024 45.916 1.00 74.31 ? 125 ASP A OD1 1 ATOM 954 O OD2 . ASP A 1 122 ? 31.760 12.505 47.310 1.00 87.60 ? 125 ASP A OD2 1 ATOM 955 N N . ARG A 1 123 ? 29.082 9.487 45.158 1.00 47.90 ? 126 ARG A N 1 ATOM 956 C CA . ARG A 1 123 ? 29.111 8.119 44.649 1.00 52.32 ? 126 ARG A CA 1 ATOM 957 C C . ARG A 1 123 ? 28.093 7.923 43.529 1.00 54.70 ? 126 ARG A C 1 ATOM 958 O O . ARG A 1 123 ? 28.220 7.008 42.723 1.00 59.48 ? 126 ARG A O 1 ATOM 959 C CB . ARG A 1 123 ? 28.880 7.100 45.770 1.00 69.68 ? 126 ARG A CB 1 ATOM 960 C CG . ARG A 1 123 ? 27.423 6.944 46.186 1.00 77.86 ? 126 ARG A CG 1 ATOM 961 C CD . ARG A 1 123 ? 27.239 5.847 47.230 1.00 72.54 ? 126 ARG A CD 1 ATOM 962 N NE . ARG A 1 123 ? 27.455 4.510 46.679 1.00 76.67 ? 126 ARG A NE 1 ATOM 963 C CZ . ARG A 1 123 ? 26.573 3.858 45.926 1.00 72.36 ? 126 ARG A CZ 1 ATOM 964 N NH1 . ARG A 1 123 ? 25.412 4.422 45.618 1.00 65.05 ? 126 ARG A NH1 1 ATOM 965 N NH2 . ARG A 1 123 ? 26.856 2.643 45.474 1.00 71.51 ? 126 ARG A NH2 1 ATOM 966 N N . TRP A 1 124 ? 27.085 8.790 43.484 1.00 50.94 ? 127 TRP A N 1 ATOM 967 C CA . TRP A 1 124 ? 26.065 8.730 42.440 1.00 60.16 ? 127 TRP A CA 1 ATOM 968 C C . TRP A 1 124 ? 26.525 9.495 41.203 1.00 67.97 ? 127 TRP A C 1 ATOM 969 O O . TRP A 1 124 ? 26.390 10.719 41.136 1.00 80.54 ? 127 TRP A O 1 ATOM 970 C CB . TRP A 1 124 ? 24.742 9.324 42.928 1.00 62.60 ? 127 TRP A CB 1 ATOM 971 C CG . TRP A 1 124 ? 24.392 9.011 44.349 1.00 64.13 ? 127 TRP A CG 1 ATOM 972 C CD1 . TRP A 1 124 ? 24.700 9.755 45.446 1.00 70.29 ? 127 TRP A CD1 1 ATOM 973 C CD2 . TRP A 1 124 ? 23.636 7.889 44.823 1.00 57.49 ? 127 TRP A CD2 1 ATOM 974 N NE1 . TRP A 1 124 ? 24.197 9.162 46.579 1.00 60.48 ? 127 TRP A NE1 1 ATOM 975 C CE2 . TRP A 1 124 ? 23.541 8.016 46.223 1.00 53.92 ? 127 TRP A CE2 1 ATOM 976 C CE3 . TRP A 1 124 ? 23.041 6.788 44.202 1.00 50.43 ? 127 TRP A CE3 1 ATOM 977 C CZ2 . TRP A 1 124 ? 22.876 7.081 47.011 1.00 45.71 ? 127 TRP A CZ2 1 ATOM 978 C CZ3 . TRP A 1 124 ? 22.379 5.860 44.989 1.00 44.65 ? 127 TRP A CZ3 1 ATOM 979 C CH2 . TRP A 1 124 ? 22.302 6.013 46.379 1.00 41.15 ? 127 TRP A CH2 1 ATOM 980 N N . THR A 1 125 ? 27.060 8.775 40.224 1.00 58.35 ? 128 THR A N 1 ATOM 981 C CA . THR A 1 125 ? 27.552 9.402 39.005 1.00 54.69 ? 128 THR A CA 1 ATOM 982 C C . THR A 1 125 ? 26.465 9.471 37.935 1.00 56.50 ? 128 THR A C 1 ATOM 983 O O . THR A 1 125 ? 26.630 10.141 36.917 1.00 63.93 ? 128 THR A O 1 ATOM 984 C CB . THR A 1 125 ? 28.751 8.633 38.430 1.00 49.56 ? 128 THR A CB 1 ATOM 985 O OG1 . THR A 1 125 ? 28.287 7.453 37.761 1.00 54.38 ? 128 THR A OG1 1 ATOM 986 C CG2 . THR A 1 125 ? 29.709 8.239 39.541 1.00 39.98 ? 128 THR A CG2 1 ATOM 987 N N . GLN A 1 126 ? 25.357 8.776 38.167 1.00 54.62 ? 129 GLN A N 1 ATOM 988 C CA . GLN A 1 126 ? 24.284 8.717 37.180 1.00 51.36 ? 129 GLN A CA 1 ATOM 989 C C . GLN A 1 126 ? 23.058 9.517 37.606 1.00 57.97 ? 129 GLN A C 1 ATOM 990 O O . GLN A 1 126 ? 21.991 9.401 37.002 1.00 59.36 ? 129 GLN A O 1 ATOM 991 C CB . GLN A 1 126 ? 23.887 7.265 36.907 1.00 49.98 ? 129 GLN A CB 1 ATOM 992 C CG . GLN A 1 126 ? 25.015 6.399 36.369 1.00 58.06 ? 129 GLN A CG 1 ATOM 993 C CD . GLN A 1 126 ? 25.587 6.921 35.065 1.00 59.69 ? 129 GLN A CD 1 ATOM 994 O OE1 . GLN A 1 126 ? 26.740 7.349 35.010 1.00 64.25 ? 129 GLN A OE1 1 ATOM 995 N NE2 . GLN A 1 126 ? 24.786 6.883 34.006 1.00 54.51 ? 129 GLN A NE2 1 ATOM 996 N N . HIS A 1 127 ? 23.207 10.321 38.652 1.00 58.91 ? 130 HIS A N 1 ATOM 997 C CA . HIS A 1 127 ? 22.099 11.133 39.136 1.00 51.30 ? 130 HIS A CA 1 ATOM 998 C C . HIS A 1 127 ? 22.573 12.504 39.576 1.00 60.65 ? 130 HIS A C 1 ATOM 999 O O . HIS A 1 127 ? 23.772 12.786 39.585 1.00 74.59 ? 130 HIS A O 1 ATOM 1000 C CB . HIS A 1 127 ? 21.376 10.433 40.286 1.00 46.85 ? 130 HIS A CB 1 ATOM 1001 C CG . HIS A 1 127 ? 20.850 9.079 39.926 1.00 48.57 ? 130 HIS A CG 1 ATOM 1002 N ND1 . HIS A 1 127 ? 21.648 7.958 39.897 1.00 51.96 ? 130 HIS A ND1 1 ATOM 1003 C CD2 . HIS A 1 127 ? 19.611 8.672 39.559 1.00 48.36 ? 130 HIS A CD2 1 ATOM 1004 C CE1 . HIS A 1 127 ? 20.921 6.913 39.535 1.00 59.09 ? 130 HIS A CE1 1 ATOM 1005 N NE2 . HIS A 1 127 ? 19.684 7.320 39.325 1.00 55.19 ? 130 HIS A NE2 1 ATOM 1006 N N . THR A 1 128 ? 21.622 13.357 39.938 1.00 50.54 ? 131 THR A N 1 ATOM 1007 C CA . THR A 1 128 ? 21.949 14.689 40.419 1.00 54.43 ? 131 THR A CA 1 ATOM 1008 C C . THR A 1 128 ? 21.839 14.754 41.935 1.00 61.51 ? 131 THR A C 1 ATOM 1009 O O . THR A 1 128 ? 20.741 14.723 42.491 1.00 59.71 ? 131 THR A O 1 ATOM 1010 C CB . THR A 1 128 ? 21.029 15.753 39.809 1.00 54.27 ? 131 THR A CB 1 ATOM 1011 O OG1 . THR A 1 128 ? 21.135 15.714 38.382 1.00 59.09 ? 131 THR A OG1 1 ATOM 1012 C CG2 . THR A 1 128 ? 21.425 17.131 40.306 1.00 52.80 ? 131 THR A CG2 1 ATOM 1013 N N . THR A 1 129 ? 22.990 14.842 42.592 1.00 71.51 ? 132 THR A N 1 ATOM 1014 C CA . THR A 1 129 ? 23.053 14.923 44.041 1.00 61.78 ? 132 THR A CA 1 ATOM 1015 C C . THR A 1 129 ? 22.734 16.340 44.490 1.00 58.09 ? 132 THR A C 1 ATOM 1016 O O . THR A 1 129 ? 22.338 16.569 45.635 1.00 61.98 ? 132 THR A O 1 ATOM 1017 C CB . THR A 1 129 ? 24.451 14.556 44.543 1.00 63.64 ? 132 THR A CB 1 ATOM 1018 O OG1 . THR A 1 129 ? 25.248 15.743 44.646 1.00 77.94 ? 132 THR A OG1 1 ATOM 1019 C CG2 . THR A 1 129 ? 25.113 13.581 43.579 1.00 55.85 ? 132 THR A CG2 1 ATOM 1020 N N . THR A 1 130 ? 22.913 17.289 43.578 1.00 62.46 ? 133 THR A N 1 ATOM 1021 C CA . THR A 1 130 ? 22.573 18.680 43.834 1.00 61.57 ? 133 THR A CA 1 ATOM 1022 C C . THR A 1 130 ? 21.067 18.786 44.011 1.00 66.09 ? 133 THR A C 1 ATOM 1023 O O . THR A 1 130 ? 20.330 17.850 43.693 1.00 69.30 ? 133 THR A O 1 ATOM 1024 C CB . THR A 1 130 ? 22.979 19.574 42.637 1.00 62.83 ? 133 THR A CB 1 ATOM 1025 O OG1 . THR A 1 130 ? 24.159 19.041 42.023 1.00 75.58 ? 133 THR A OG1 1 ATOM 1026 C CG2 . THR A 1 130 ? 23.237 21.003 43.089 1.00 59.20 ? 133 THR A CG2 1 ATOM 1027 N N . GLY A 1 131 ? 20.600 19.915 44.525 1.00 53.66 ? 134 GLY A N 1 ATOM 1028 C CA . GLY A 1 131 ? 19.171 20.134 44.609 1.00 55.09 ? 134 GLY A CA 1 ATOM 1029 C C . GLY A 1 131 ? 18.646 20.386 46.003 1.00 50.62 ? 134 GLY A C 1 ATOM 1030 O O . GLY A 1 131 ? 19.134 19.834 46.990 1.00 58.28 ? 134 GLY A O 1 ATOM 1031 N N . GLY A 1 132 ? 17.632 21.237 46.068 1.00 37.32 ? 135 GLY A N 1 ATOM 1032 C CA . GLY A 1 132 ? 17.033 21.644 47.321 1.00 35.60 ? 135 GLY A CA 1 ATOM 1033 C C . GLY A 1 132 ? 16.078 22.786 47.050 1.00 48.01 ? 135 GLY A C 1 ATOM 1034 O O . GLY A 1 132 ? 15.791 23.107 45.894 1.00 60.99 ? 135 GLY A O 1 ATOM 1035 N N . SER A 1 133 ? 15.581 23.403 48.114 1.00 43.02 ? 136 SER A N 1 ATOM 1036 C CA . SER A 1 133 ? 14.679 24.534 47.979 1.00 50.72 ? 136 SER A CA 1 ATOM 1037 C C . SER A 1 133 ? 15.125 25.623 48.940 1.00 61.58 ? 136 SER A C 1 ATOM 1038 O O . SER A 1 133 ? 16.064 25.426 49.709 1.00 61.82 ? 136 SER A O 1 ATOM 1039 C CB . SER A 1 133 ? 13.242 24.111 48.288 1.00 44.89 ? 136 SER A CB 1 ATOM 1040 O OG . SER A 1 133 ? 12.969 24.211 49.676 1.00 47.22 ? 136 SER A OG 1 ATOM 1041 N N . ARG A 1 134 ? 14.456 26.769 48.899 1.00 62.64 ? 137 ARG A N 1 ATOM 1042 C CA . ARG A 1 134 ? 14.800 27.850 49.809 1.00 63.25 ? 137 ARG A CA 1 ATOM 1043 C C . ARG A 1 134 ? 14.003 27.755 51.110 1.00 56.89 ? 137 ARG A C 1 ATOM 1044 O O . ARG A 1 134 ? 14.211 28.541 52.037 1.00 57.56 ? 137 ARG A O 1 ATOM 1045 C CB . ARG A 1 134 ? 14.634 29.219 49.142 1.00 72.44 ? 137 ARG A CB 1 ATOM 1046 C CG . ARG A 1 134 ? 13.223 29.556 48.712 1.00 76.77 ? 137 ARG A CG 1 ATOM 1047 C CD . ARG A 1 134 ? 13.111 31.036 48.385 1.00 82.45 ? 137 ARG A CD 1 ATOM 1048 N NE . ARG A 1 134 ? 11.730 31.438 48.136 1.00 90.82 ? 137 ARG A NE 1 ATOM 1049 C CZ . ARG A 1 134 ? 11.256 32.659 48.365 1.00 90.57 ? 137 ARG A CZ 1 ATOM 1050 N NH1 . ARG A 1 134 ? 12.050 33.601 48.857 1.00 86.80 ? 137 ARG A NH1 1 ATOM 1051 N NH2 . ARG A 1 134 ? 9.984 32.937 48.108 1.00 87.41 ? 137 ARG A NH2 1 ATOM 1052 N N . ALA A 1 135 ? 13.098 26.782 51.178 1.00 53.17 ? 138 ALA A N 1 ATOM 1053 C CA . ALA A 1 135 ? 12.417 26.469 52.430 1.00 62.59 ? 138 ALA A CA 1 ATOM 1054 C C . ALA A 1 135 ? 13.441 25.938 53.430 1.00 66.08 ? 138 ALA A C 1 ATOM 1055 O O . ALA A 1 135 ? 13.291 26.100 54.641 1.00 60.31 ? 138 ALA A O 1 ATOM 1056 C CB . ALA A 1 135 ? 11.309 25.448 52.202 1.00 51.46 ? 138 ALA A CB 1 ATOM 1057 N N . CYS A 1 136 ? 14.484 25.303 52.900 1.00 67.23 ? 139 CYS A N 1 ATOM 1058 C CA . CYS A 1 136 ? 15.643 24.904 53.685 1.00 70.71 ? 139 CYS A CA 1 ATOM 1059 C C . CYS A 1 136 ? 16.829 25.727 53.207 1.00 70.25 ? 139 CYS A C 1 ATOM 1060 O O . CYS A 1 136 ? 17.531 25.327 52.283 1.00 77.37 ? 139 CYS A O 1 ATOM 1061 C CB . CYS A 1 136 ? 15.938 23.417 53.489 1.00 71.82 ? 139 CYS A CB 1 ATOM 1062 S SG . CYS A 1 136 ? 14.495 22.339 53.629 1.00 102.51 ? 139 CYS A SG 1 ATOM 1063 N N . ALA A 1 137 ? 17.054 26.876 53.836 1.00 64.53 ? 140 ALA A N 1 ATOM 1064 C CA . ALA A 1 137 ? 18.015 27.845 53.312 1.00 62.31 ? 140 ALA A CA 1 ATOM 1065 C C . ALA A 1 137 ? 19.241 28.089 54.193 1.00 74.09 ? 140 ALA A C 1 ATOM 1066 O O . ALA A 1 137 ? 19.123 28.328 55.393 1.00 79.22 ? 140 ALA A O 1 ATOM 1067 C CB . ALA A 1 137 ? 17.319 29.162 53.002 1.00 52.33 ? 140 ALA A CB 1 ATOM 1068 N N . VAL A 1 138 ? 20.416 28.035 53.572 1.00 89.79 ? 141 VAL A N 1 ATOM 1069 C CA . VAL A 1 138 ? 21.671 28.382 54.231 1.00 96.65 ? 141 VAL A CA 1 ATOM 1070 C C . VAL A 1 138 ? 22.238 29.667 53.629 1.00 99.31 ? 141 VAL A C 1 ATOM 1071 O O . VAL A 1 138 ? 22.525 29.728 52.432 1.00 94.07 ? 141 VAL A O 1 ATOM 1072 C CB . VAL A 1 138 ? 22.709 27.241 54.118 1.00 96.62 ? 141 VAL A CB 1 ATOM 1073 C CG1 . VAL A 1 138 ? 24.104 27.737 54.484 1.00 98.44 ? 141 VAL A CG1 1 ATOM 1074 C CG2 . VAL A 1 138 ? 22.307 26.065 54.994 1.00 97.29 ? 141 VAL A CG2 1 ATOM 1075 N N . SER A 1 139 ? 22.380 30.691 54.469 1.00 102.18 ? 142 SER A N 1 ATOM 1076 C CA . SER A 1 139 ? 22.903 31.994 54.052 1.00 101.59 ? 142 SER A CA 1 ATOM 1077 C C . SER A 1 139 ? 22.108 32.619 52.903 1.00 100.96 ? 142 SER A C 1 ATOM 1078 O O . SER A 1 139 ? 22.676 33.273 52.028 1.00 109.14 ? 142 SER A O 1 ATOM 1079 C CB . SER A 1 139 ? 24.389 31.895 53.684 1.00 98.52 ? 142 SER A CB 1 ATOM 1080 O OG . SER A 1 139 ? 25.145 31.358 54.757 1.00 92.52 ? 142 SER A OG 1 ATOM 1081 N N . GLY A 1 140 ? 20.794 32.416 52.913 1.00 78.39 ? 143 GLY A N 1 ATOM 1082 C CA . GLY A 1 140 ? 19.928 32.981 51.894 1.00 74.56 ? 143 GLY A CA 1 ATOM 1083 C C . GLY A 1 140 ? 19.818 32.113 50.654 1.00 75.47 ? 143 GLY A C 1 ATOM 1084 O O . GLY A 1 140 ? 18.855 32.215 49.894 1.00 75.85 ? 143 GLY A O 1 ATOM 1085 N N . ASN A 1 141 ? 20.814 31.256 50.448 1.00 85.11 ? 144 ASN A N 1 ATOM 1086 C CA . ASN A 1 141 ? 20.816 30.325 49.326 1.00 82.35 ? 144 ASN A CA 1 ATOM 1087 C C . ASN A 1 141 ? 19.903 29.132 49.577 1.00 86.03 ? 144 ASN A C 1 ATOM 1088 O O . ASN A 1 141 ? 19.716 28.723 50.721 1.00 96.95 ? 144 ASN A O 1 ATOM 1089 C CB . ASN A 1 141 ? 22.237 29.826 49.049 1.00 76.76 ? 144 ASN A CB 1 ATOM 1090 C CG . ASN A 1 141 ? 23.145 30.916 48.526 1.00 83.53 ? 144 ASN A CG 1 ATOM 1091 O OD1 . ASN A 1 141 ? 22.686 31.889 47.928 1.00 90.45 ? 144 ASN A OD1 1 ATOM 1092 N ND2 . ASN A 1 141 ? 24.447 30.756 48.743 1.00 83.38 ? 144 ASN A ND2 1 ATOM 1093 N N . PRO A 1 142 ? 19.326 28.571 48.505 1.00 73.90 ? 145 PRO A N 1 ATOM 1094 C CA . PRO A 1 142 ? 18.537 27.343 48.635 1.00 72.24 ? 145 PRO A CA 1 ATOM 1095 C C . PRO A 1 142 ? 19.428 26.150 48.975 1.00 67.53 ? 145 PRO A C 1 ATOM 1096 O O . PRO A 1 142 ? 20.509 26.004 48.404 1.00 66.82 ? 145 PRO A O 1 ATOM 1097 C CB . PRO A 1 142 ? 17.928 27.173 47.241 1.00 73.81 ? 145 PRO A CB 1 ATOM 1098 C CG . PRO A 1 142 ? 18.855 27.902 46.332 1.00 76.15 ? 145 PRO A CG 1 ATOM 1099 C CD . PRO A 1 142 ? 19.342 29.075 47.122 1.00 76.28 ? 145 PRO A CD 1 ATOM 1100 N N . SER A 1 143 ? 18.976 25.309 49.899 1.00 70.79 ? 146 SER A N 1 ATOM 1101 C CA . SER A 1 143 ? 19.761 24.161 50.332 1.00 71.70 ? 146 SER A CA 1 ATOM 1102 C C . SER A 1 143 ? 18.865 22.979 50.683 1.00 72.66 ? 146 SER A C 1 ATOM 1103 O O . SER A 1 143 ? 17.713 22.913 50.254 1.00 87.45 ? 146 SER A O 1 ATOM 1104 C CB . SER A 1 143 ? 20.628 24.539 51.534 1.00 68.15 ? 146 SER A CB 1 ATOM 1105 O OG . SER A 1 143 ? 21.952 24.052 51.386 1.00 71.42 ? 146 SER A OG 1 ATOM 1106 N N . PHE A 1 144 ? 19.401 22.051 51.468 1.00 46.76 ? 147 PHE A N 1 ATOM 1107 C CA . PHE A 1 144 ? 18.683 20.832 51.814 1.00 42.09 ? 147 PHE A CA 1 ATOM 1108 C C . PHE A 1 144 ? 19.218 20.288 53.133 1.00 50.35 ? 147 PHE A C 1 ATOM 1109 O O . PHE A 1 144 ? 20.129 20.868 53.722 1.00 62.23 ? 147 PHE A O 1 ATOM 1110 C CB . PHE A 1 144 ? 18.856 19.795 50.699 1.00 42.69 ? 147 PHE A CB 1 ATOM 1111 C CG . PHE A 1 144 ? 17.851 18.677 50.738 1.00 41.78 ? 147 PHE A CG 1 ATOM 1112 C CD1 . PHE A 1 144 ? 16.492 18.944 50.679 1.00 41.88 ? 147 PHE A CD1 1 ATOM 1113 C CD2 . PHE A 1 144 ? 18.269 17.359 50.815 1.00 30.73 ? 147 PHE A CD2 1 ATOM 1114 C CE1 . PHE A 1 144 ? 15.569 17.917 50.709 1.00 38.87 ? 147 PHE A CE1 1 ATOM 1115 C CE2 . PHE A 1 144 ? 17.353 16.329 50.843 1.00 33.02 ? 147 PHE A CE2 1 ATOM 1116 C CZ . PHE A 1 144 ? 16.000 16.607 50.790 1.00 42.25 ? 147 PHE A CZ 1 ATOM 1117 N N . PHE A 1 145 ? 18.640 19.185 53.599 1.00 45.91 ? 148 PHE A N 1 ATOM 1118 C CA . PHE A 1 145 ? 19.136 18.495 54.785 1.00 43.78 ? 148 PHE A CA 1 ATOM 1119 C C . PHE A 1 145 ? 20.590 18.088 54.576 1.00 52.66 ? 148 PHE A C 1 ATOM 1120 O O . PHE A 1 145 ? 20.946 17.546 53.528 1.00 69.70 ? 148 PHE A O 1 ATOM 1121 C CB . PHE A 1 145 ? 18.285 17.261 55.087 1.00 44.41 ? 148 PHE A CB 1 ATOM 1122 C CG . PHE A 1 145 ? 16.834 17.566 55.326 1.00 44.76 ? 148 PHE A CG 1 ATOM 1123 C CD1 . PHE A 1 145 ? 16.396 17.983 56.571 1.00 43.61 ? 148 PHE A CD1 1 ATOM 1124 C CD2 . PHE A 1 145 ? 15.906 17.429 54.307 1.00 41.17 ? 148 PHE A CD2 1 ATOM 1125 C CE1 . PHE A 1 145 ? 15.059 18.262 56.795 1.00 45.62 ? 148 PHE A CE1 1 ATOM 1126 C CE2 . PHE A 1 145 ? 14.568 17.706 54.523 1.00 36.48 ? 148 PHE A CE2 1 ATOM 1127 C CZ . PHE A 1 145 ? 14.143 18.123 55.769 1.00 37.22 ? 148 PHE A CZ 1 ATOM 1128 N N . ARG A 1 146 ? 21.423 18.352 55.576 1.00 40.01 ? 149 ARG A N 1 ATOM 1129 C CA . ARG A 1 146 ? 22.864 18.157 55.449 1.00 41.04 ? 149 ARG A CA 1 ATOM 1130 C C . ARG A 1 146 ? 23.269 16.693 55.277 1.00 43.35 ? 149 ARG A C 1 ATOM 1131 O O . ARG A 1 146 ? 24.135 16.374 54.457 1.00 56.51 ? 149 ARG A O 1 ATOM 1132 C CB . ARG A 1 146 ? 23.596 18.774 56.643 1.00 26.60 ? 149 ARG A CB 1 ATOM 1133 C CG . ARG A 1 146 ? 23.248 20.232 56.906 1.00 59.79 ? 149 ARG A CG 1 ATOM 1134 C CD . ARG A 1 146 ? 24.140 20.819 57.990 1.00 65.31 ? 149 ARG A CD 1 ATOM 1135 N NE . ARG A 1 146 ? 24.279 19.913 59.128 1.00 68.91 ? 149 ARG A NE 1 ATOM 1136 C CZ . ARG A 1 146 ? 23.617 20.035 60.274 1.00 67.14 ? 149 ARG A CZ 1 ATOM 1137 N NH1 . ARG A 1 146 ? 22.765 21.039 60.448 1.00 57.47 ? 149 ARG A NH1 1 ATOM 1138 N NH2 . ARG A 1 146 ? 23.810 19.154 61.249 1.00 71.02 ? 149 ARG A NH2 1 ATOM 1139 N N . ASN A 1 147 ? 22.642 15.806 56.044 1.00 31.93 ? 150 ASN A N 1 ATOM 1140 C CA . ASN A 1 147 ? 23.004 14.392 56.009 1.00 36.13 ? 150 ASN A CA 1 ATOM 1141 C C . ASN A 1 147 ? 22.142 13.585 55.041 1.00 40.48 ? 150 ASN A C 1 ATOM 1142 O O . ASN A 1 147 ? 22.087 12.356 55.122 1.00 43.55 ? 150 ASN A O 1 ATOM 1143 C CB . ASN A 1 147 ? 22.917 13.780 57.405 1.00 46.70 ? 150 ASN A CB 1 ATOM 1144 C CG . ASN A 1 147 ? 23.513 14.678 58.471 1.00 60.43 ? 150 ASN A CG 1 ATOM 1145 O OD1 . ASN A 1 147 ? 24.731 14.851 58.549 1.00 66.03 ? 150 ASN A OD1 1 ATOM 1146 N ND2 . ASN A 1 147 ? 22.653 15.257 59.299 1.00 61.56 ? 150 ASN A ND2 1 ATOM 1147 N N . MET A 1 148 ? 21.467 14.279 54.129 1.00 41.35 ? 151 MET A N 1 ATOM 1148 C CA . MET A 1 148 ? 20.600 13.620 53.156 1.00 44.44 ? 151 MET A CA 1 ATOM 1149 C C . MET A 1 148 ? 20.952 14.019 51.728 1.00 43.28 ? 151 MET A C 1 ATOM 1150 O O . MET A 1 148 ? 21.499 15.095 51.487 1.00 51.68 ? 151 MET A O 1 ATOM 1151 C CB . MET A 1 148 ? 19.129 13.942 53.442 1.00 55.10 ? 151 MET A CB 1 ATOM 1152 C CG . MET A 1 148 ? 18.663 13.572 54.847 1.00 62.44 ? 151 MET A CG 1 ATOM 1153 S SD . MET A 1 148 ? 18.699 11.799 55.182 1.00 44.79 ? 151 MET A SD 1 ATOM 1154 C CE . MET A 1 148 ? 17.444 11.208 54.048 1.00 73.31 ? 151 MET A CE 1 ATOM 1155 N N . VAL A 1 149 ? 20.633 13.141 50.783 1.00 40.88 ? 152 VAL A N 1 ATOM 1156 C CA . VAL A 1 149 ? 20.887 13.402 49.370 1.00 31.95 ? 152 VAL A CA 1 ATOM 1157 C C . VAL A 1 149 ? 19.604 13.289 48.545 1.00 44.71 ? 152 VAL A C 1 ATOM 1158 O O . VAL A 1 149 ? 18.909 12.272 48.592 1.00 47.85 ? 152 VAL A O 1 ATOM 1159 C CB . VAL A 1 149 ? 21.938 12.438 48.789 1.00 29.97 ? 152 VAL A CB 1 ATOM 1160 C CG1 . VAL A 1 149 ? 22.240 12.792 47.338 1.00 38.49 ? 152 VAL A CG1 1 ATOM 1161 C CG2 . VAL A 1 149 ? 23.210 12.468 49.623 1.00 33.46 ? 152 VAL A CG2 1 ATOM 1162 N N . TRP A 1 150 ? 19.301 14.340 47.788 1.00 48.27 ? 153 TRP A N 1 ATOM 1163 C CA . TRP A 1 150 ? 18.102 14.385 46.957 1.00 34.01 ? 153 TRP A CA 1 ATOM 1164 C C . TRP A 1 150 ? 18.429 13.985 45.520 1.00 30.31 ? 153 TRP A C 1 ATOM 1165 O O . TRP A 1 150 ? 18.923 14.793 44.737 1.00 46.79 ? 153 TRP A O 1 ATOM 1166 C CB . TRP A 1 150 ? 17.494 15.790 46.997 1.00 33.16 ? 153 TRP A CB 1 ATOM 1167 C CG . TRP A 1 150 ? 16.154 15.926 46.325 1.00 31.08 ? 153 TRP A CG 1 ATOM 1168 C CD1 . TRP A 1 150 ? 15.515 14.997 45.558 1.00 35.78 ? 153 TRP A CD1 1 ATOM 1169 C CD2 . TRP A 1 150 ? 15.289 17.069 46.374 1.00 34.26 ? 153 TRP A CD2 1 ATOM 1170 N NE1 . TRP A 1 150 ? 14.308 15.490 45.124 1.00 41.10 ? 153 TRP A NE1 1 ATOM 1171 C CE2 . TRP A 1 150 ? 14.145 16.758 45.609 1.00 37.20 ? 153 TRP A CE2 1 ATOM 1172 C CE3 . TRP A 1 150 ? 15.371 18.321 46.987 1.00 35.39 ? 153 TRP A CE3 1 ATOM 1173 C CZ2 . TRP A 1 150 ? 13.094 17.659 45.444 1.00 33.77 ? 153 TRP A CZ2 1 ATOM 1174 C CZ3 . TRP A 1 150 ? 14.328 19.212 46.822 1.00 30.48 ? 153 TRP A CZ3 1 ATOM 1175 C CH2 . TRP A 1 150 ? 13.203 18.877 46.057 1.00 30.80 ? 153 TRP A CH2 1 ATOM 1176 N N . LEU A 1 151 ? 18.135 12.736 45.180 1.00 24.52 ? 154 LEU A N 1 ATOM 1177 C CA . LEU A 1 151 ? 18.415 12.212 43.849 1.00 31.55 ? 154 LEU A CA 1 ATOM 1178 C C . LEU A 1 151 ? 17.388 12.671 42.820 1.00 35.06 ? 154 LEU A C 1 ATOM 1179 O O . LEU A 1 151 ? 16.204 12.359 42.937 1.00 45.36 ? 154 LEU A O 1 ATOM 1180 C CB . LEU A 1 151 ? 18.467 10.681 43.869 1.00 24.91 ? 154 LEU A CB 1 ATOM 1181 C CG . LEU A 1 151 ? 19.701 10.017 44.476 1.00 25.30 ? 154 LEU A CG 1 ATOM 1182 C CD1 . LEU A 1 151 ? 20.967 10.688 43.964 1.00 55.61 ? 154 LEU A CD1 1 ATOM 1183 C CD2 . LEU A 1 151 ? 19.658 10.032 45.995 1.00 50.87 ? 154 LEU A CD2 1 ATOM 1184 N N . THR A 1 152 ? 17.847 13.408 41.812 1.00 31.39 ? 155 THR A N 1 ATOM 1185 C CA . THR A 1 152 ? 16.995 13.779 40.687 1.00 44.73 ? 155 THR A CA 1 ATOM 1186 C C . THR A 1 152 ? 17.579 13.204 39.398 1.00 57.93 ? 155 THR A C 1 ATOM 1187 O O . THR A 1 152 ? 18.549 12.445 39.435 1.00 57.41 ? 155 THR A O 1 ATOM 1188 C CB . THR A 1 152 ? 16.846 15.309 40.549 1.00 48.34 ? 155 THR A CB 1 ATOM 1189 O OG1 . THR A 1 152 ? 17.881 15.824 39.700 1.00 49.27 ? 155 THR A OG1 1 ATOM 1190 C CG2 . THR A 1 152 ? 16.914 15.983 41.911 1.00 26.51 ? 155 THR A CG2 1 ATOM 1191 N N . LYS A 1 153 ? 16.995 13.569 38.261 1.00 71.67 ? 156 LYS A N 1 ATOM 1192 C CA . LYS A 1 153 ? 17.437 13.033 36.978 1.00 65.27 ? 156 LYS A CA 1 ATOM 1193 C C . LYS A 1 153 ? 18.706 13.710 36.472 1.00 64.20 ? 156 LYS A C 1 ATOM 1194 O O . LYS A 1 153 ? 18.944 14.889 36.737 1.00 64.65 ? 156 LYS A O 1 ATOM 1195 C CB . LYS A 1 153 ? 16.326 13.144 35.928 1.00 60.72 ? 156 LYS A CB 1 ATOM 1196 C CG . LYS A 1 153 ? 16.045 14.555 35.440 1.00 59.35 ? 156 LYS A CG 1 ATOM 1197 C CD . LYS A 1 153 ? 14.982 14.547 34.353 1.00 64.39 ? 156 LYS A CD 1 ATOM 1198 C CE . LYS A 1 153 ? 14.777 15.927 33.744 1.00 74.22 ? 156 LYS A CE 1 ATOM 1199 N NZ . LYS A 1 153 ? 13.745 15.905 32.668 1.00 76.21 ? 156 LYS A NZ 1 ATOM 1200 N N . LYS A 1 154 ? 19.519 12.948 35.747 1.00 64.53 ? 157 LYS A N 1 ATOM 1201 C CA . LYS A 1 154 ? 20.718 13.480 35.107 1.00 68.44 ? 157 LYS A CA 1 ATOM 1202 C C . LYS A 1 154 ? 20.756 13.093 33.633 1.00 66.50 ? 157 LYS A C 1 ATOM 1203 O O . LYS A 1 154 ? 20.669 11.914 33.290 1.00 72.10 ? 157 LYS A O 1 ATOM 1204 C CB . LYS A 1 154 ? 21.984 12.990 35.816 1.00 68.93 ? 157 LYS A CB 1 ATOM 1205 C CG . LYS A 1 154 ? 23.225 13.027 34.936 1.00 71.25 ? 157 LYS A CG 1 ATOM 1206 C CD . LYS A 1 154 ? 24.493 12.722 35.714 1.00 65.12 ? 157 LYS A CD 1 ATOM 1207 C CE . LYS A 1 154 ? 24.962 13.934 36.498 1.00 64.65 ? 157 LYS A CE 1 ATOM 1208 N NZ . LYS A 1 154 ? 26.331 13.736 37.048 1.00 64.92 ? 157 LYS A NZ 1 ATOM 1209 N N . GLY A 1 155 ? 20.884 14.093 32.766 1.00 54.78 ? 158 GLY A N 1 ATOM 1210 C CA . GLY A 1 155 ? 20.887 13.869 31.331 1.00 59.12 ? 158 GLY A CA 1 ATOM 1211 C C . GLY A 1 155 ? 19.507 13.521 30.801 1.00 64.28 ? 158 GLY A C 1 ATOM 1212 O O . GLY A 1 155 ? 19.375 12.734 29.863 1.00 61.86 ? 158 GLY A O 1 ATOM 1213 N N . SER A 1 156 ? 18.483 14.122 31.405 1.00 69.54 ? 159 SER A N 1 ATOM 1214 C CA . SER A 1 156 ? 17.085 13.813 31.101 1.00 75.41 ? 159 SER A CA 1 ATOM 1215 C C . SER A 1 156 ? 16.784 12.317 31.174 1.00 79.04 ? 159 SER A C 1 ATOM 1216 O O . SER A 1 156 ? 16.068 11.773 30.332 1.00 81.44 ? 159 SER A O 1 ATOM 1217 C CB . SER A 1 156 ? 16.668 14.387 29.744 1.00 80.37 ? 159 SER A CB 1 ATOM 1218 O OG . SER A 1 156 ? 16.189 15.717 29.888 1.00 83.53 ? 159 SER A OG 1 ATOM 1219 N N . ASP A 1 157 ? 17.336 11.659 32.187 1.00 86.14 ? 160 ASP A N 1 ATOM 1220 C CA . ASP A 1 157 ? 17.107 10.235 32.391 1.00 84.51 ? 160 ASP A CA 1 ATOM 1221 C C . ASP A 1 157 ? 17.347 9.863 33.853 1.00 77.15 ? 160 ASP A C 1 ATOM 1222 O O . ASP A 1 157 ? 18.348 10.264 34.451 1.00 74.95 ? 160 ASP A O 1 ATOM 1223 C CB . ASP A 1 157 ? 18.017 9.407 31.479 1.00 86.99 ? 160 ASP A CB 1 ATOM 1224 C CG . ASP A 1 157 ? 17.370 8.112 31.035 1.00 94.13 ? 160 ASP A CG 1 ATOM 1225 O OD1 . ASP A 1 157 ? 16.201 8.153 30.593 1.00 100.28 ? 160 ASP A OD1 1 ATOM 1226 O OD2 . ASP A 1 157 ? 18.022 7.051 31.138 1.00 92.22 ? 160 ASP A OD2 1 ATOM 1227 N N . TYR A 1 158 ? 16.419 9.103 34.424 1.00 57.57 ? 161 TYR A N 1 ATOM 1228 C CA . TYR A 1 158 ? 16.578 8.588 35.779 1.00 44.34 ? 161 TYR A CA 1 ATOM 1229 C C . TYR A 1 158 ? 16.632 7.073 35.708 1.00 49.23 ? 161 TYR A C 1 ATOM 1230 O O . TYR A 1 158 ? 15.603 6.408 35.818 1.00 49.18 ? 161 TYR A O 1 ATOM 1231 C CB . TYR A 1 158 ? 15.415 9.035 36.671 1.00 46.49 ? 161 TYR A CB 1 ATOM 1232 C CG . TYR A 1 158 ? 15.636 8.899 38.173 1.00 49.16 ? 161 TYR A CG 1 ATOM 1233 C CD1 . TYR A 1 158 ? 15.264 9.924 39.037 1.00 57.69 ? 161 TYR A CD1 1 ATOM 1234 C CD2 . TYR A 1 158 ? 16.186 7.747 38.730 1.00 47.65 ? 161 TYR A CD2 1 ATOM 1235 C CE1 . TYR A 1 158 ? 15.448 9.815 40.403 1.00 58.68 ? 161 TYR A CE1 1 ATOM 1236 C CE2 . TYR A 1 158 ? 16.372 7.633 40.098 1.00 51.09 ? 161 TYR A CE2 1 ATOM 1237 C CZ . TYR A 1 158 ? 16.001 8.670 40.926 1.00 51.96 ? 161 TYR A CZ 1 ATOM 1238 O OH . TYR A 1 158 ? 16.181 8.561 42.285 1.00 49.92 ? 161 TYR A OH 1 ATOM 1239 N N . PRO A 1 159 ? 17.838 6.521 35.513 1.00 60.99 ? 162 PRO A N 1 ATOM 1240 C CA . PRO A 1 159 ? 18.017 5.070 35.548 1.00 56.41 ? 162 PRO A CA 1 ATOM 1241 C C . PRO A 1 159 ? 17.960 4.621 36.998 1.00 57.19 ? 162 PRO A C 1 ATOM 1242 O O . PRO A 1 159 ? 18.295 5.413 37.881 1.00 57.62 ? 162 PRO A O 1 ATOM 1243 C CB . PRO A 1 159 ? 19.426 4.886 34.986 1.00 53.75 ? 162 PRO A CB 1 ATOM 1244 C CG . PRO A 1 159 ? 20.137 6.132 35.375 1.00 51.37 ? 162 PRO A CG 1 ATOM 1245 C CD . PRO A 1 159 ? 19.112 7.232 35.310 1.00 58.44 ? 162 PRO A CD 1 ATOM 1246 N N . VAL A 1 160 ? 17.530 3.386 37.235 1.00 57.36 ? 163 VAL A N 1 ATOM 1247 C CA . VAL A 1 160 ? 17.359 2.874 38.593 1.00 49.55 ? 163 VAL A CA 1 ATOM 1248 C C . VAL A 1 160 ? 18.613 3.082 39.449 1.00 49.90 ? 163 VAL A C 1 ATOM 1249 O O . VAL A 1 160 ? 19.707 2.627 39.106 1.00 52.81 ? 163 VAL A O 1 ATOM 1250 C CB . VAL A 1 160 ? 16.940 1.388 38.594 1.00 37.44 ? 163 VAL A CB 1 ATOM 1251 C CG1 . VAL A 1 160 ? 17.749 0.595 37.566 1.00 37.43 ? 163 VAL A CG1 1 ATOM 1252 C CG2 . VAL A 1 160 ? 17.086 0.793 39.986 1.00 42.07 ? 163 VAL A CG2 1 ATOM 1253 N N . ALA A 1 161 ? 18.442 3.803 40.553 1.00 40.68 ? 164 ALA A N 1 ATOM 1254 C CA . ALA A 1 161 ? 19.537 4.077 41.471 1.00 36.57 ? 164 ALA A CA 1 ATOM 1255 C C . ALA A 1 161 ? 19.657 2.963 42.499 1.00 40.74 ? 164 ALA A C 1 ATOM 1256 O O . ALA A 1 161 ? 18.696 2.651 43.204 1.00 33.33 ? 164 ALA A O 1 ATOM 1257 C CB . ALA A 1 161 ? 19.327 5.413 42.164 1.00 32.33 ? 164 ALA A CB 1 ATOM 1258 N N . LYS A 1 162 ? 20.840 2.366 42.587 1.00 43.55 ? 165 LYS A N 1 ATOM 1259 C CA . LYS A 1 162 ? 21.083 1.348 43.597 1.00 40.87 ? 165 LYS A CA 1 ATOM 1260 C C . LYS A 1 162 ? 22.122 1.828 44.598 1.00 48.73 ? 165 LYS A C 1 ATOM 1261 O O . LYS A 1 162 ? 22.866 2.772 44.338 1.00 58.37 ? 165 LYS A O 1 ATOM 1262 C CB . LYS A 1 162 ? 21.515 0.027 42.957 1.00 43.12 ? 165 LYS A CB 1 ATOM 1263 C CG . LYS A 1 162 ? 20.513 -0.522 41.951 1.00 60.18 ? 165 LYS A CG 1 ATOM 1264 C CD . LYS A 1 162 ? 20.708 -2.011 41.702 1.00 72.50 ? 165 LYS A CD 1 ATOM 1265 C CE . LYS A 1 162 ? 19.880 -2.482 40.513 1.00 81.95 ? 165 LYS A CE 1 ATOM 1266 N NZ . LYS A 1 162 ? 20.464 -2.030 39.214 1.00 84.36 ? 165 LYS A NZ 1 ATOM 1267 N N . GLY A 1 163 ? 22.154 1.176 45.753 1.00 49.40 ? 166 GLY A N 1 ATOM 1268 C CA . GLY A 1 163 ? 23.113 1.495 46.789 1.00 47.42 ? 166 GLY A CA 1 ATOM 1269 C C . GLY A 1 163 ? 23.068 0.449 47.880 1.00 47.27 ? 166 GLY A C 1 ATOM 1270 O O . GLY A 1 163 ? 21.996 -0.030 48.245 1.00 51.72 ? 166 GLY A O 1 ATOM 1271 N N . SER A 1 164 ? 24.232 0.078 48.395 1.00 51.30 ? 167 SER A N 1 ATOM 1272 C CA . SER A 1 164 ? 24.278 -0.856 49.507 1.00 52.09 ? 167 SER A CA 1 ATOM 1273 C C . SER A 1 164 ? 25.372 -0.492 50.500 1.00 52.32 ? 167 SER A C 1 ATOM 1274 O O . SER A 1 164 ? 26.362 0.156 50.150 1.00 46.66 ? 167 SER A O 1 ATOM 1275 C CB . SER A 1 164 ? 24.460 -2.300 49.020 1.00 56.18 ? 167 SER A CB 1 ATOM 1276 O OG . SER A 1 164 ? 25.829 -2.632 48.868 1.00 74.60 ? 167 SER A OG 1 ATOM 1277 N N . TYR A 1 165 ? 25.176 -0.913 51.744 1.00 49.84 ? 168 TYR A N 1 ATOM 1278 C CA . TYR A 1 165 ? 26.181 -0.743 52.778 1.00 53.68 ? 168 TYR A CA 1 ATOM 1279 C C . TYR A 1 165 ? 26.256 -1.976 53.669 1.00 59.16 ? 168 TYR A C 1 ATOM 1280 O O . TYR A 1 165 ? 25.295 -2.315 54.355 1.00 58.69 ? 168 TYR A O 1 ATOM 1281 C CB . TYR A 1 165 ? 25.892 0.492 53.631 1.00 57.08 ? 168 TYR A CB 1 ATOM 1282 C CG . TYR A 1 165 ? 26.886 0.674 54.756 1.00 65.75 ? 168 TYR A CG 1 ATOM 1283 C CD1 . TYR A 1 165 ? 28.150 1.187 54.510 1.00 67.85 ? 168 TYR A CD1 1 ATOM 1284 C CD2 . TYR A 1 165 ? 26.564 0.323 56.061 1.00 65.65 ? 168 TYR A CD2 1 ATOM 1285 C CE1 . TYR A 1 165 ? 29.065 1.351 55.529 1.00 67.43 ? 168 TYR A CE1 1 ATOM 1286 C CE2 . TYR A 1 165 ? 27.473 0.483 57.088 1.00 57.32 ? 168 TYR A CE2 1 ATOM 1287 C CZ . TYR A 1 165 ? 28.722 0.997 56.816 1.00 62.63 ? 168 TYR A CZ 1 ATOM 1288 O OH . TYR A 1 165 ? 29.634 1.161 57.833 1.00 71.36 ? 168 TYR A OH 1 ATOM 1289 N N . ASN A 1 166 ? 27.403 -2.645 53.644 1.00 62.83 ? 169 ASN A N 1 ATOM 1290 C CA . ASN A 1 166 ? 27.677 -3.739 54.560 1.00 53.17 ? 169 ASN A CA 1 ATOM 1291 C C . ASN A 1 166 ? 28.265 -3.151 55.836 1.00 54.41 ? 169 ASN A C 1 ATOM 1292 O O . ASN A 1 166 ? 29.285 -2.470 55.794 1.00 62.27 ? 169 ASN A O 1 ATOM 1293 C CB . ASN A 1 166 ? 28.656 -4.720 53.916 1.00 57.85 ? 169 ASN A CB 1 ATOM 1294 C CG . ASN A 1 166 ? 28.679 -6.066 54.608 1.00 61.99 ? 169 ASN A CG 1 ATOM 1295 O OD1 . ASN A 1 166 ? 27.880 -6.330 55.507 1.00 48.23 ? 169 ASN A OD1 1 ATOM 1296 N ND2 . ASN A 1 166 ? 29.589 -6.934 54.176 1.00 79.25 ? 169 ASN A ND2 1 ATOM 1297 N N . ASN A 1 167 ? 27.620 -3.402 56.971 1.00 55.53 ? 170 ASN A N 1 ATOM 1298 C CA . ASN A 1 167 ? 27.997 -2.739 58.222 1.00 59.99 ? 170 ASN A CA 1 ATOM 1299 C C . ASN A 1 167 ? 29.178 -3.368 58.966 1.00 75.52 ? 170 ASN A C 1 ATOM 1300 O O . ASN A 1 167 ? 29.095 -4.489 59.448 1.00 84.37 ? 170 ASN A O 1 ATOM 1301 C CB . ASN A 1 167 ? 26.787 -2.642 59.157 1.00 53.09 ? 170 ASN A CB 1 ATOM 1302 C CG . ASN A 1 167 ? 27.112 -1.959 60.477 1.00 51.25 ? 170 ASN A CG 1 ATOM 1303 O OD1 . ASN A 1 167 ? 28.005 -1.113 60.559 1.00 51.55 ? 170 ASN A OD1 1 ATOM 1304 N ND2 . ASN A 1 167 ? 26.384 -2.333 61.521 1.00 44.85 ? 170 ASN A ND2 1 ATOM 1305 N N . THR A 1 168 ? 30.274 -2.626 59.059 1.00 75.40 ? 171 THR A N 1 ATOM 1306 C CA . THR A 1 168 ? 31.391 -3.008 59.903 1.00 77.70 ? 171 THR A CA 1 ATOM 1307 C C . THR A 1 168 ? 31.952 -1.801 60.635 1.00 82.83 ? 171 THR A C 1 ATOM 1308 O O . THR A 1 168 ? 32.961 -1.219 60.222 1.00 97.55 ? 171 THR A O 1 ATOM 1309 C CB . THR A 1 168 ? 32.523 -3.676 59.092 1.00 78.55 ? 171 THR A CB 1 ATOM 1310 O OG1 . THR A 1 168 ? 33.763 -3.517 59.795 1.00 87.61 ? 171 THR A OG1 1 ATOM 1311 C CG2 . THR A 1 168 ? 32.644 -3.032 57.710 1.00 56.30 ? 171 THR A CG2 1 ATOM 1312 N N . SER A 1 169 ? 31.288 -1.424 61.721 1.00 68.43 ? 172 SER A N 1 ATOM 1313 C CA . SER A 1 169 ? 31.806 -0.381 62.592 1.00 76.46 ? 172 SER A CA 1 ATOM 1314 C C . SER A 1 169 ? 31.855 -0.975 63.998 1.00 80.94 ? 172 SER A C 1 ATOM 1315 O O . SER A 1 169 ? 32.272 -0.330 64.966 1.00 88.67 ? 172 SER A O 1 ATOM 1316 C CB . SER A 1 169 ? 30.927 0.870 62.546 1.00 84.99 ? 172 SER A CB 1 ATOM 1317 O OG . SER A 1 169 ? 31.707 2.052 62.550 1.00 96.66 ? 172 SER A OG 1 ATOM 1318 N N . GLY A 1 170 ? 31.418 -2.228 64.085 1.00 82.52 ? 173 GLY A N 1 ATOM 1319 C CA . GLY A 1 170 ? 31.446 -2.984 65.321 1.00 85.96 ? 173 GLY A CA 1 ATOM 1320 C C . GLY A 1 170 ? 30.267 -2.657 66.205 1.00 83.78 ? 173 GLY A C 1 ATOM 1321 O O . GLY A 1 170 ? 30.198 -3.095 67.354 1.00 86.62 ? 173 GLY A O 1 ATOM 1322 N N . GLU A 1 171 ? 29.340 -1.874 65.665 1.00 82.99 ? 174 GLU A N 1 ATOM 1323 C CA . GLU A 1 171 ? 28.145 -1.499 66.403 1.00 76.03 ? 174 GLU A CA 1 ATOM 1324 C C . GLU A 1 171 ? 26.904 -1.470 65.525 1.00 58.39 ? 174 GLU A C 1 ATOM 1325 O O . GLU A 1 171 ? 26.988 -1.399 64.297 1.00 52.55 ? 174 GLU A O 1 ATOM 1326 C CB . GLU A 1 171 ? 28.327 -0.137 67.067 1.00 83.32 ? 174 GLU A CB 1 ATOM 1327 C CG . GLU A 1 171 ? 29.300 -0.147 68.232 1.00 85.84 ? 174 GLU A CG 1 ATOM 1328 C CD . GLU A 1 171 ? 29.427 1.209 68.887 1.00 82.80 ? 174 GLU A CD 1 ATOM 1329 O OE1 . GLU A 1 171 ? 29.969 1.278 70.008 1.00 93.51 ? 174 GLU A OE1 1 ATOM 1330 O OE2 . GLU A 1 171 ? 28.987 2.209 68.281 1.00 67.99 ? 174 GLU A OE2 1 ATOM 1331 N N . GLN A 1 172 ? 25.750 -1.526 66.178 1.00 51.91 ? 175 GLN A N 1 ATOM 1332 C CA . GLN A 1 172 ? 24.467 -1.396 65.509 1.00 39.06 ? 175 GLN A CA 1 ATOM 1333 C C . GLN A 1 172 ? 24.351 0.019 64.959 1.00 43.43 ? 175 GLN A C 1 ATOM 1334 O O . GLN A 1 172 ? 24.779 0.978 65.606 1.00 45.91 ? 175 GLN A O 1 ATOM 1335 C CB . GLN A 1 172 ? 23.342 -1.672 66.501 1.00 32.14 ? 175 GLN A CB 1 ATOM 1336 C CG . GLN A 1 172 ? 22.143 -2.365 65.896 1.00 46.93 ? 175 GLN A CG 1 ATOM 1337 C CD . GLN A 1 172 ? 21.089 -2.705 66.930 1.00 60.27 ? 175 GLN A CD 1 ATOM 1338 O OE1 . GLN A 1 172 ? 21.087 -2.159 68.035 1.00 63.32 ? 175 GLN A OE1 1 ATOM 1339 N NE2 . GLN A 1 172 ? 20.186 -3.615 66.578 1.00 58.84 ? 175 GLN A NE2 1 ATOM 1340 N N . MET A 1 173 ? 23.782 0.152 63.765 1.00 40.05 ? 176 MET A N 1 ATOM 1341 C CA . MET A 1 173 ? 23.740 1.448 63.094 1.00 38.37 ? 176 MET A CA 1 ATOM 1342 C C . MET A 1 173 ? 22.333 1.920 62.733 1.00 42.80 ? 176 MET A C 1 ATOM 1343 O O . MET A 1 173 ? 21.564 1.203 62.092 1.00 49.10 ? 176 MET A O 1 ATOM 1344 C CB . MET A 1 173 ? 24.626 1.445 61.844 1.00 35.39 ? 176 MET A CB 1 ATOM 1345 C CG . MET A 1 173 ? 24.829 2.827 61.236 1.00 35.98 ? 176 MET A CG 1 ATOM 1346 S SD . MET A 1 173 ? 25.820 2.831 59.727 1.00 58.02 ? 176 MET A SD 1 ATOM 1347 C CE . MET A 1 173 ? 27.369 2.156 60.324 1.00 29.77 ? 176 MET A CE 1 ATOM 1348 N N . LEU A 1 174 ? 22.015 3.140 63.153 1.00 37.40 ? 177 LEU A N 1 ATOM 1349 C CA . LEU A 1 174 ? 20.766 3.797 62.795 1.00 27.76 ? 177 LEU A CA 1 ATOM 1350 C C . LEU A 1 174 ? 20.897 4.420 61.415 1.00 31.92 ? 177 LEU A C 1 ATOM 1351 O O . LEU A 1 174 ? 21.809 5.209 61.175 1.00 37.96 ? 177 LEU A O 1 ATOM 1352 C CB . LEU A 1 174 ? 20.433 4.879 63.823 1.00 35.21 ? 177 LEU A CB 1 ATOM 1353 C CG . LEU A 1 174 ? 19.367 5.902 63.440 1.00 32.59 ? 177 LEU A CG 1 ATOM 1354 C CD1 . LEU A 1 174 ? 18.022 5.224 63.276 1.00 35.46 ? 177 LEU A CD1 1 ATOM 1355 C CD2 . LEU A 1 174 ? 19.283 7.013 64.474 1.00 23.03 ? 177 LEU A CD2 1 ATOM 1356 N N . ILE A 1 175 ? 19.988 4.063 60.511 1.00 44.47 ? 178 ILE A N 1 ATOM 1357 C CA . ILE A 1 175 ? 20.004 4.598 59.150 1.00 44.43 ? 178 ILE A CA 1 ATOM 1358 C C . ILE A 1 175 ? 18.648 5.194 58.774 1.00 39.91 ? 178 ILE A C 1 ATOM 1359 O O . ILE A 1 175 ? 17.612 4.550 58.938 1.00 35.26 ? 178 ILE A O 1 ATOM 1360 C CB . ILE A 1 175 ? 20.399 3.519 58.120 1.00 36.36 ? 178 ILE A CB 1 ATOM 1361 C CG1 . ILE A 1 175 ? 21.724 2.864 58.513 1.00 36.34 ? 178 ILE A CG1 1 ATOM 1362 C CG2 . ILE A 1 175 ? 20.499 4.117 56.726 1.00 30.10 ? 178 ILE A CG2 1 ATOM 1363 C CD1 . ILE A 1 175 ? 22.186 1.798 57.552 1.00 44.57 ? 178 ILE A CD1 1 ATOM 1364 N N . ILE A 1 176 ? 18.664 6.427 58.274 1.00 28.32 ? 179 ILE A N 1 ATOM 1365 C CA . ILE A 1 176 ? 17.433 7.147 57.957 1.00 28.20 ? 179 ILE A CA 1 ATOM 1366 C C . ILE A 1 176 ? 17.339 7.463 56.470 1.00 34.15 ? 179 ILE A C 1 ATOM 1367 O O . ILE A 1 176 ? 18.282 7.984 55.886 1.00 43.52 ? 179 ILE A O 1 ATOM 1368 C CB . ILE A 1 176 ? 17.358 8.479 58.736 1.00 33.45 ? 179 ILE A CB 1 ATOM 1369 C CG1 . ILE A 1 176 ? 17.597 8.248 60.230 1.00 39.79 ? 179 ILE A CG1 1 ATOM 1370 C CG2 . ILE A 1 176 ? 16.024 9.176 58.496 1.00 19.26 ? 179 ILE A CG2 1 ATOM 1371 C CD1 . ILE A 1 176 ? 17.521 9.510 61.061 1.00 39.12 ? 179 ILE A CD1 1 ATOM 1372 N N . TRP A 1 177 ? 16.202 7.151 55.855 1.00 42.30 ? 180 TRP A N 1 ATOM 1373 C CA . TRP A 1 177 ? 15.966 7.538 54.466 1.00 45.25 ? 180 TRP A CA 1 ATOM 1374 C C . TRP A 1 177 ? 14.607 8.210 54.320 1.00 40.77 ? 180 TRP A C 1 ATOM 1375 O O . TRP A 1 177 ? 13.843 8.286 55.279 1.00 52.86 ? 180 TRP A O 1 ATOM 1376 C CB . TRP A 1 177 ? 16.061 6.331 53.528 1.00 40.21 ? 180 TRP A CB 1 ATOM 1377 C CG . TRP A 1 177 ? 14.899 5.402 53.627 1.00 31.89 ? 180 TRP A CG 1 ATOM 1378 C CD1 . TRP A 1 177 ? 13.773 5.411 52.857 1.00 37.28 ? 180 TRP A CD1 1 ATOM 1379 C CD2 . TRP A 1 177 ? 14.746 4.323 54.553 1.00 39.01 ? 180 TRP A CD2 1 ATOM 1380 N NE1 . TRP A 1 177 ? 12.926 4.401 53.248 1.00 48.62 ? 180 TRP A NE1 1 ATOM 1381 C CE2 . TRP A 1 177 ? 13.500 3.720 54.287 1.00 48.24 ? 180 TRP A CE2 1 ATOM 1382 C CE3 . TRP A 1 177 ? 15.540 3.808 55.580 1.00 37.30 ? 180 TRP A CE3 1 ATOM 1383 C CZ2 . TRP A 1 177 ? 13.031 2.627 55.013 1.00 46.65 ? 180 TRP A CZ2 1 ATOM 1384 C CZ3 . TRP A 1 177 ? 15.074 2.724 56.299 1.00 42.73 ? 180 TRP A CZ3 1 ATOM 1385 C CH2 . TRP A 1 177 ? 13.831 2.145 56.012 1.00 42.68 ? 180 TRP A CH2 1 ATOM 1386 N N . GLY A 1 178 ? 14.308 8.691 53.117 1.00 27.22 ? 181 GLY A N 1 ATOM 1387 C CA . GLY A 1 178 ? 13.036 9.343 52.864 1.00 30.08 ? 181 GLY A CA 1 ATOM 1388 C C . GLY A 1 178 ? 12.555 9.203 51.433 1.00 32.72 ? 181 GLY A C 1 ATOM 1389 O O . GLY A 1 178 ? 13.347 8.933 50.532 1.00 43.43 ? 181 GLY A O 1 ATOM 1390 N N . VAL A 1 179 ? 11.251 9.372 51.225 1.00 31.00 ? 182 VAL A N 1 ATOM 1391 C CA . VAL A 1 179 ? 10.703 9.444 49.872 1.00 39.28 ? 182 VAL A CA 1 ATOM 1392 C C . VAL A 1 179 ? 9.988 10.781 49.646 1.00 46.60 ? 182 VAL A C 1 ATOM 1393 O O . VAL A 1 179 ? 9.542 11.428 50.595 1.00 51.43 ? 182 VAL A O 1 ATOM 1394 C CB . VAL A 1 179 ? 9.756 8.258 49.543 1.00 22.58 ? 182 VAL A CB 1 ATOM 1395 C CG1 . VAL A 1 179 ? 10.116 7.040 50.376 1.00 32.63 ? 182 VAL A CG1 1 ATOM 1396 C CG2 . VAL A 1 179 ? 8.300 8.641 49.754 1.00 22.35 ? 182 VAL A CG2 1 ATOM 1397 N N . HIS A 1 180 ? 9.896 11.196 48.386 1.00 37.27 ? 183 HIS A N 1 ATOM 1398 C CA . HIS A 1 180 ? 9.273 12.470 48.043 1.00 36.68 ? 183 HIS A CA 1 ATOM 1399 C C . HIS A 1 180 ? 7.854 12.280 47.516 1.00 41.01 ? 183 HIS A C 1 ATOM 1400 O O . HIS A 1 180 ? 7.624 11.511 46.589 1.00 58.18 ? 183 HIS A O 1 ATOM 1401 C CB . HIS A 1 180 ? 10.125 13.214 47.010 1.00 42.57 ? 183 HIS A CB 1 ATOM 1402 C CG . HIS A 1 180 ? 9.615 14.583 46.676 1.00 47.87 ? 183 HIS A CG 1 ATOM 1403 N ND1 . HIS A 1 180 ? 9.848 15.184 45.456 1.00 53.57 ? 183 HIS A ND1 1 ATOM 1404 C CD2 . HIS A 1 180 ? 8.893 15.467 47.398 1.00 56.97 ? 183 HIS A CD2 1 ATOM 1405 C CE1 . HIS A 1 180 ? 9.285 16.379 45.443 1.00 60.89 ? 183 HIS A CE1 1 ATOM 1406 N NE2 . HIS A 1 180 ? 8.698 16.576 46.612 1.00 63.20 ? 183 HIS A NE2 1 ATOM 1407 N N . HIS A 1 181 ? 6.905 12.981 48.127 1.00 37.85 ? 184 HIS A N 1 ATOM 1408 C CA . HIS A 1 181 ? 5.521 12.975 47.673 1.00 36.90 ? 184 HIS A CA 1 ATOM 1409 C C . HIS A 1 181 ? 5.189 14.305 47.006 1.00 40.11 ? 184 HIS A C 1 ATOM 1410 O O . HIS A 1 181 ? 4.917 15.295 47.687 1.00 42.73 ? 184 HIS A O 1 ATOM 1411 C CB . HIS A 1 181 ? 4.574 12.739 48.848 1.00 40.61 ? 184 HIS A CB 1 ATOM 1412 C CG . HIS A 1 181 ? 4.807 11.445 49.564 1.00 48.66 ? 184 HIS A CG 1 ATOM 1413 N ND1 . HIS A 1 181 ? 4.485 10.225 49.016 1.00 54.96 ? 184 HIS A ND1 1 ATOM 1414 C CD2 . HIS A 1 181 ? 5.321 11.185 50.791 1.00 61.34 ? 184 HIS A CD2 1 ATOM 1415 C CE1 . HIS A 1 181 ? 4.795 9.264 49.871 1.00 63.08 ? 184 HIS A CE1 1 ATOM 1416 N NE2 . HIS A 1 181 ? 5.303 9.821 50.954 1.00 66.33 ? 184 HIS A NE2 1 ATOM 1417 N N . PRO A 1 182 ? 5.208 14.328 45.666 1.00 30.48 ? 185 PRO A N 1 ATOM 1418 C CA . PRO A 1 182 ? 5.016 15.549 44.879 1.00 20.81 ? 185 PRO A CA 1 ATOM 1419 C C . PRO A 1 182 ? 3.621 16.149 45.010 1.00 46.64 ? 185 PRO A C 1 ATOM 1420 O O . PRO A 1 182 ? 2.670 15.453 45.373 1.00 42.84 ? 185 PRO A O 1 ATOM 1421 C CB . PRO A 1 182 ? 5.224 15.069 43.438 1.00 23.06 ? 185 PRO A CB 1 ATOM 1422 C CG . PRO A 1 182 ? 5.963 13.788 43.551 1.00 23.98 ? 185 PRO A CG 1 ATOM 1423 C CD . PRO A 1 182 ? 5.460 13.162 44.806 1.00 30.02 ? 185 PRO A CD 1 ATOM 1424 N N . ASN A 1 183 ? 3.513 17.438 44.694 1.00 41.17 ? 186 ASN A N 1 ATOM 1425 C CA . ASN A 1 183 ? 2.238 18.147 44.694 1.00 38.64 ? 186 ASN A CA 1 ATOM 1426 C C . ASN A 1 183 ? 1.472 17.937 43.389 1.00 46.27 ? 186 ASN A C 1 ATOM 1427 O O . ASN A 1 183 ? 0.242 17.986 43.358 1.00 46.78 ? 186 ASN A O 1 ATOM 1428 C CB . ASN A 1 183 ? 2.468 19.643 44.931 1.00 38.12 ? 186 ASN A CB 1 ATOM 1429 C CG . ASN A 1 183 ? 1.176 20.440 44.963 1.00 54.63 ? 186 ASN A CG 1 ATOM 1430 O OD1 . ASN A 1 183 ? 0.512 20.526 45.996 1.00 61.19 ? 186 ASN A OD1 1 ATOM 1431 N ND2 . ASN A 1 183 ? 0.816 21.033 43.829 1.00 58.44 ? 186 ASN A ND2 1 ATOM 1432 N N . ASP A 1 184 ? 2.210 17.694 42.312 1.00 47.92 ? 187 ASP A N 1 ATOM 1433 C CA . ASP A 1 184 ? 1.611 17.561 40.991 1.00 49.12 ? 187 ASP A CA 1 ATOM 1434 C C . ASP A 1 184 ? 2.477 16.704 40.077 1.00 46.15 ? 187 ASP A C 1 ATOM 1435 O O . ASP A 1 184 ? 3.666 16.511 40.335 1.00 39.42 ? 187 ASP A O 1 ATOM 1436 C CB . ASP A 1 184 ? 1.398 18.943 40.377 1.00 66.15 ? 187 ASP A CB 1 ATOM 1437 C CG . ASP A 1 184 ? 2.611 19.839 40.534 1.00 70.43 ? 187 ASP A CG 1 ATOM 1438 O OD1 . ASP A 1 184 ? 2.477 20.927 41.134 1.00 72.82 ? 187 ASP A OD1 1 ATOM 1439 O OD2 . ASP A 1 184 ? 3.699 19.454 40.055 1.00 67.77 ? 187 ASP A OD2 1 ATOM 1440 N N . GLU A 1 185 ? 1.870 16.191 39.011 1.00 45.23 ? 188 GLU A N 1 ATOM 1441 C CA . GLU A 1 185 ? 2.565 15.327 38.063 1.00 35.08 ? 188 GLU A CA 1 ATOM 1442 C C . GLU A 1 185 ? 3.738 16.062 37.426 1.00 37.31 ? 188 GLU A C 1 ATOM 1443 O O . GLU A 1 185 ? 4.748 15.453 37.073 1.00 39.73 ? 188 GLU A O 1 ATOM 1444 C CB . GLU A 1 185 ? 1.601 14.846 36.975 1.00 44.62 ? 188 GLU A CB 1 ATOM 1445 C CG . GLU A 1 185 ? 2.214 13.878 35.974 1.00 60.86 ? 188 GLU A CG 1 ATOM 1446 C CD . GLU A 1 185 ? 1.378 13.719 34.715 1.00 68.90 ? 188 GLU A CD 1 ATOM 1447 O OE1 . GLU A 1 185 ? 0.352 14.424 34.586 1.00 75.50 ? 188 GLU A OE1 1 ATOM 1448 O OE2 . GLU A 1 185 ? 1.750 12.892 33.852 1.00 58.64 ? 188 GLU A OE2 1 ATOM 1449 N N . THR A 1 186 ? 3.598 17.378 37.299 1.00 44.72 ? 189 THR A N 1 ATOM 1450 C CA . THR A 1 186 ? 4.599 18.204 36.633 1.00 41.50 ? 189 THR A CA 1 ATOM 1451 C C . THR A 1 186 ? 5.971 18.143 37.302 1.00 38.47 ? 189 THR A C 1 ATOM 1452 O O . THR A 1 186 ? 6.986 17.969 36.626 1.00 35.73 ? 189 THR A O 1 ATOM 1453 C CB . THR A 1 186 ? 4.142 19.671 36.536 1.00 41.32 ? 189 THR A CB 1 ATOM 1454 O OG1 . THR A 1 186 ? 2.906 19.737 35.813 1.00 43.36 ? 189 THR A OG1 1 ATOM 1455 C CG2 . THR A 1 186 ? 5.188 20.502 35.815 1.00 36.17 ? 189 THR A CG2 1 ATOM 1456 N N . GLU A 1 187 ? 6.008 18.281 38.624 1.00 38.91 ? 190 GLU A N 1 ATOM 1457 C CA . GLU A 1 187 ? 7.281 18.197 39.335 1.00 41.21 ? 190 GLU A CA 1 ATOM 1458 C C . GLU A 1 187 ? 7.800 16.762 39.366 1.00 38.68 ? 190 GLU A C 1 ATOM 1459 O O . GLU A 1 187 ? 9.006 16.535 39.433 1.00 45.92 ? 190 GLU A O 1 ATOM 1460 C CB . GLU A 1 187 ? 7.192 18.779 40.751 1.00 38.59 ? 190 GLU A CB 1 ATOM 1461 C CG . GLU A 1 187 ? 6.382 17.954 41.732 1.00 55.66 ? 190 GLU A CG 1 ATOM 1462 C CD . GLU A 1 187 ? 6.602 18.385 43.174 1.00 71.33 ? 190 GLU A CD 1 ATOM 1463 O OE1 . GLU A 1 187 ? 5.610 18.481 43.928 1.00 78.27 ? 190 GLU A OE1 1 ATOM 1464 O OE2 . GLU A 1 187 ? 7.767 18.628 43.554 1.00 73.27 ? 190 GLU A OE2 1 ATOM 1465 N N . GLN A 1 188 ? 6.888 15.797 39.305 1.00 29.14 ? 191 GLN A N 1 ATOM 1466 C CA . GLN A 1 188 ? 7.277 14.394 39.235 1.00 32.75 ? 191 GLN A CA 1 ATOM 1467 C C . GLN A 1 188 ? 8.054 14.135 37.951 1.00 48.75 ? 191 GLN A C 1 ATOM 1468 O O . GLN A 1 188 ? 9.128 13.530 37.968 1.00 55.63 ? 191 GLN A O 1 ATOM 1469 C CB . GLN A 1 188 ? 6.048 13.486 39.289 1.00 28.44 ? 191 GLN A CB 1 ATOM 1470 C CG . GLN A 1 188 ? 6.365 12.012 39.088 1.00 28.15 ? 191 GLN A CG 1 ATOM 1471 C CD . GLN A 1 188 ? 7.177 11.431 40.229 1.00 33.92 ? 191 GLN A CD 1 ATOM 1472 O OE1 . GLN A 1 188 ? 6.915 11.713 41.398 1.00 32.88 ? 191 GLN A OE1 1 ATOM 1473 N NE2 . GLN A 1 188 ? 8.170 10.615 39.895 1.00 35.43 ? 191 GLN A NE2 1 ATOM 1474 N N . ARG A 1 189 ? 7.501 14.613 36.842 1.00 47.59 ? 192 ARG A N 1 ATOM 1475 C CA . ARG A 1 189 ? 8.108 14.435 35.531 1.00 44.86 ? 192 ARG A CA 1 ATOM 1476 C C . ARG A 1 189 ? 9.424 15.192 35.403 1.00 48.76 ? 192 ARG A C 1 ATOM 1477 O O . ARG A 1 189 ? 10.423 14.640 34.950 1.00 49.50 ? 192 ARG A O 1 ATOM 1478 C CB . ARG A 1 189 ? 7.140 14.896 34.443 1.00 45.34 ? 192 ARG A CB 1 ATOM 1479 C CG . ARG A 1 189 ? 5.883 14.059 34.332 1.00 39.33 ? 192 ARG A CG 1 ATOM 1480 C CD . ARG A 1 189 ? 5.982 13.087 33.173 1.00 41.44 ? 192 ARG A CD 1 ATOM 1481 N NE . ARG A 1 189 ? 4.782 12.267 33.056 1.00 44.87 ? 192 ARG A NE 1 ATOM 1482 C CZ . ARG A 1 189 ? 4.616 11.317 32.143 1.00 56.14 ? 192 ARG A CZ 1 ATOM 1483 N NH1 . ARG A 1 189 ? 5.574 11.071 31.258 1.00 67.17 ? 192 ARG A NH1 1 ATOM 1484 N NH2 . ARG A 1 189 ? 3.491 10.615 32.114 1.00 51.20 ? 192 ARG A NH2 1 ATOM 1485 N N . THR A 1 190 ? 9.423 16.461 35.800 1.00 50.80 ? 193 THR A N 1 ATOM 1486 C CA . THR A 1 190 ? 10.607 17.303 35.641 1.00 56.73 ? 193 THR A CA 1 ATOM 1487 C C . THR A 1 190 ? 11.784 16.855 36.506 1.00 53.36 ? 193 THR A C 1 ATOM 1488 O O . THR A 1 190 ? 12.940 17.043 36.131 1.00 56.03 ? 193 THR A O 1 ATOM 1489 C CB . THR A 1 190 ? 10.301 18.792 35.921 1.00 58.11 ? 193 THR A CB 1 ATOM 1490 O OG1 . THR A 1 190 ? 9.683 18.923 37.205 1.00 65.24 ? 193 THR A OG1 1 ATOM 1491 C CG2 . THR A 1 190 ? 9.365 19.356 34.862 1.00 64.85 ? 193 THR A CG2 1 ATOM 1492 N N . LEU A 1 191 ? 11.489 16.256 37.655 1.00 45.70 ? 194 LEU A N 1 ATOM 1493 C CA . LEU A 1 191 ? 12.537 15.867 38.595 1.00 42.22 ? 194 LEU A CA 1 ATOM 1494 C C . LEU A 1 191 ? 13.032 14.437 38.414 1.00 45.75 ? 194 LEU A C 1 ATOM 1495 O O . LEU A 1 191 ? 14.237 14.193 38.374 1.00 49.04 ? 194 LEU A O 1 ATOM 1496 C CB . LEU A 1 191 ? 12.076 16.075 40.038 1.00 37.60 ? 194 LEU A CB 1 ATOM 1497 C CG . LEU A 1 191 ? 12.232 17.493 40.576 1.00 39.07 ? 194 LEU A CG 1 ATOM 1498 C CD1 . LEU A 1 191 ? 11.260 17.742 41.711 1.00 31.50 ? 194 LEU A CD1 1 ATOM 1499 C CD2 . LEU A 1 191 ? 13.661 17.716 41.045 1.00 50.25 ? 194 LEU A CD2 1 ATOM 1500 N N . TYR A 1 192 ? 12.103 13.493 38.317 1.00 41.28 ? 195 TYR A N 1 ATOM 1501 C CA . TYR A 1 192 ? 12.467 12.081 38.295 1.00 39.93 ? 195 TYR A CA 1 ATOM 1502 C C . TYR A 1 192 ? 12.185 11.436 36.940 1.00 39.18 ? 195 TYR A C 1 ATOM 1503 O O . TYR A 1 192 ? 12.313 10.217 36.783 1.00 31.60 ? 195 TYR A O 1 ATOM 1504 C CB . TYR A 1 192 ? 11.751 11.331 39.421 1.00 39.29 ? 195 TYR A CB 1 ATOM 1505 C CG . TYR A 1 192 ? 11.837 12.038 40.756 1.00 39.68 ? 195 TYR A CG 1 ATOM 1506 C CD1 . TYR A 1 192 ? 13.025 12.063 41.475 1.00 42.01 ? 195 TYR A CD1 1 ATOM 1507 C CD2 . TYR A 1 192 ? 10.733 12.686 41.294 1.00 37.50 ? 195 TYR A CD2 1 ATOM 1508 C CE1 . TYR A 1 192 ? 13.111 12.712 42.694 1.00 40.40 ? 195 TYR A CE1 1 ATOM 1509 C CE2 . TYR A 1 192 ? 10.809 13.337 42.513 1.00 33.44 ? 195 TYR A CE2 1 ATOM 1510 C CZ . TYR A 1 192 ? 12.000 13.346 43.208 1.00 36.21 ? 195 TYR A CZ 1 ATOM 1511 O OH . TYR A 1 192 ? 12.082 13.992 44.422 1.00 37.25 ? 195 TYR A OH 1 ATOM 1512 N N . GLN A 1 193 ? 11.780 12.264 35.979 1.00 38.56 ? 196 GLN A N 1 ATOM 1513 C CA . GLN A 1 193 ? 11.616 11.861 34.579 1.00 41.10 ? 196 GLN A CA 1 ATOM 1514 C C . GLN A 1 193 ? 10.490 10.856 34.323 1.00 40.01 ? 196 GLN A C 1 ATOM 1515 O O . GLN A 1 193 ? 9.967 10.778 33.213 1.00 40.51 ? 196 GLN A O 1 ATOM 1516 C CB . GLN A 1 193 ? 12.945 11.356 34.003 1.00 52.42 ? 196 GLN A CB 1 ATOM 1517 C CG . GLN A 1 193 ? 13.280 11.920 32.634 1.00 64.82 ? 196 GLN A CG 1 ATOM 1518 C CD . GLN A 1 193 ? 12.579 11.183 31.517 1.00 71.45 ? 196 GLN A CD 1 ATOM 1519 O OE1 . GLN A 1 193 ? 11.900 11.791 30.688 1.00 62.99 ? 196 GLN A OE1 1 ATOM 1520 N NE2 . GLN A 1 193 ? 12.742 9.863 31.484 1.00 77.11 ? 196 GLN A NE2 1 ATOM 1521 N N . ASN A 1 194 ? 10.112 10.106 35.353 1.00 45.20 ? 197 ASN A N 1 ATOM 1522 C CA . ASN A 1 194 ? 9.128 9.041 35.211 1.00 40.60 ? 197 ASN A CA 1 ATOM 1523 C C . ASN A 1 194 ? 8.015 9.114 36.246 1.00 45.03 ? 197 ASN A C 1 ATOM 1524 O O . ASN A 1 194 ? 8.201 9.654 37.334 1.00 52.22 ? 197 ASN A O 1 ATOM 1525 C CB . ASN A 1 194 ? 9.821 7.682 35.314 1.00 46.65 ? 197 ASN A CB 1 ATOM 1526 C CG . ASN A 1 194 ? 10.646 7.357 34.090 1.00 67.82 ? 197 ASN A CG 1 ATOM 1527 O OD1 . ASN A 1 194 ? 10.150 7.407 32.964 1.00 70.64 ? 197 ASN A OD1 1 ATOM 1528 N ND2 . ASN A 1 194 ? 11.917 7.027 34.301 1.00 75.77 ? 197 ASN A ND2 1 ATOM 1529 N N . VAL A 1 195 ? 6.853 8.574 35.895 1.00 44.73 ? 198 VAL A N 1 ATOM 1530 C CA . VAL A 1 195 ? 5.794 8.355 36.871 1.00 48.59 ? 198 VAL A CA 1 ATOM 1531 C C . VAL A 1 195 ? 5.710 6.856 37.122 1.00 50.12 ? 198 VAL A C 1 ATOM 1532 O O . VAL A 1 195 ? 6.260 6.068 36.355 1.00 58.34 ? 198 VAL A O 1 ATOM 1533 C CB . VAL A 1 195 ? 4.433 8.878 36.383 1.00 51.66 ? 198 VAL A CB 1 ATOM 1534 C CG1 . VAL A 1 195 ? 3.551 9.234 37.573 1.00 56.49 ? 198 VAL A CG1 1 ATOM 1535 C CG2 . VAL A 1 195 ? 4.623 10.093 35.499 1.00 54.51 ? 198 VAL A CG2 1 ATOM 1536 N N . GLY A 1 196 ? 5.027 6.461 38.190 1.00 51.33 ? 199 GLY A N 1 ATOM 1537 C CA . GLY A 1 196 ? 4.941 5.059 38.546 1.00 53.20 ? 199 GLY A CA 1 ATOM 1538 C C . GLY A 1 196 ? 6.274 4.555 39.056 1.00 56.68 ? 199 GLY A C 1 ATOM 1539 O O . GLY A 1 196 ? 6.687 3.434 38.758 1.00 68.42 ? 199 GLY A O 1 ATOM 1540 N N . THR A 1 197 ? 6.954 5.395 39.827 1.00 52.37 ? 200 THR A N 1 ATOM 1541 C CA . THR A 1 197 ? 8.237 5.029 40.407 1.00 50.80 ? 200 THR A CA 1 ATOM 1542 C C . THR A 1 197 ? 8.032 4.320 41.741 1.00 46.28 ? 200 THR A C 1 ATOM 1543 O O . THR A 1 197 ? 6.897 4.154 42.188 1.00 50.85 ? 200 THR A O 1 ATOM 1544 C CB . THR A 1 197 ? 9.137 6.266 40.597 1.00 52.54 ? 200 THR A CB 1 ATOM 1545 O OG1 . THR A 1 197 ? 8.446 7.247 41.380 1.00 45.33 ? 200 THR A OG1 1 ATOM 1546 C CG2 . THR A 1 197 ? 9.486 6.871 39.249 1.00 57.80 ? 200 THR A CG2 1 ATOM 1547 N N . TYR A 1 198 ? 9.127 3.889 42.363 1.00 42.48 ? 201 TYR A N 1 ATOM 1548 C CA . TYR A 1 198 ? 9.062 3.211 43.655 1.00 31.89 ? 201 TYR A CA 1 ATOM 1549 C C . TYR A 1 198 ? 10.383 3.343 44.404 1.00 37.20 ? 201 TYR A C 1 ATOM 1550 O O . TYR A 1 198 ? 11.442 3.485 43.794 1.00 39.14 ? 201 TYR A O 1 ATOM 1551 C CB . TYR A 1 198 ? 8.727 1.728 43.476 1.00 25.98 ? 201 TYR A CB 1 ATOM 1552 C CG . TYR A 1 198 ? 9.823 0.922 42.814 1.00 45.23 ? 201 TYR A CG 1 ATOM 1553 C CD1 . TYR A 1 198 ? 10.770 0.237 43.571 1.00 56.84 ? 201 TYR A CD1 1 ATOM 1554 C CD2 . TYR A 1 198 ? 9.912 0.846 41.431 1.00 52.22 ? 201 TYR A CD2 1 ATOM 1555 C CE1 . TYR A 1 198 ? 11.772 -0.498 42.964 1.00 64.63 ? 201 TYR A CE1 1 ATOM 1556 C CE2 . TYR A 1 198 ? 10.910 0.113 40.819 1.00 60.45 ? 201 TYR A CE2 1 ATOM 1557 C CZ . TYR A 1 198 ? 11.837 -0.555 41.588 1.00 61.89 ? 201 TYR A CZ 1 ATOM 1558 O OH . TYR A 1 198 ? 12.830 -1.285 40.978 1.00 59.23 ? 201 TYR A OH 1 ATOM 1559 N N . VAL A 1 199 ? 10.317 3.294 45.730 1.00 38.04 ? 202 VAL A N 1 ATOM 1560 C CA . VAL A 1 199 ? 11.518 3.252 46.553 1.00 31.71 ? 202 VAL A CA 1 ATOM 1561 C C . VAL A 1 199 ? 11.550 1.939 47.320 1.00 26.15 ? 202 VAL A C 1 ATOM 1562 O O . VAL A 1 199 ? 10.581 1.583 47.991 1.00 32.35 ? 202 VAL A O 1 ATOM 1563 C CB . VAL A 1 199 ? 11.576 4.430 47.541 1.00 19.50 ? 202 VAL A CB 1 ATOM 1564 C CG1 . VAL A 1 199 ? 12.733 4.253 48.510 1.00 19.59 ? 202 VAL A CG1 1 ATOM 1565 C CG2 . VAL A 1 199 ? 11.706 5.745 46.788 1.00 27.15 ? 202 VAL A CG2 1 ATOM 1566 N N . SER A 1 200 ? 12.659 1.215 47.221 1.00 29.74 ? 203 SER A N 1 ATOM 1567 C CA A SER A 1 200 ? 12.765 -0.086 47.868 1.00 34.88 ? 203 SER A CA 1 ATOM 1568 C CA B SER A 1 200 ? 12.761 -0.082 47.876 0.00 36.37 ? 203 SER A CA 1 ATOM 1569 C C . SER A 1 200 ? 13.968 -0.164 48.805 1.00 41.06 ? 203 SER A C 1 ATOM 1570 O O . SER A 1 200 ? 15.100 0.096 48.398 1.00 53.73 ? 203 SER A O 1 ATOM 1571 C CB A SER A 1 200 ? 12.843 -1.192 46.817 1.00 37.49 ? 203 SER A CB 1 ATOM 1572 C CB B SER A 1 200 ? 12.809 -1.206 46.843 0.00 39.58 ? 203 SER A CB 1 ATOM 1573 O OG A SER A 1 200 ? 12.077 -2.311 47.215 1.00 46.38 ? 203 SER A OG 1 ATOM 1574 O OG B SER A 1 200 ? 12.179 -2.368 47.346 0.00 41.15 ? 203 SER A OG 1 ATOM 1575 N N . VAL A 1 201 ? 13.713 -0.522 50.060 1.00 36.78 ? 204 VAL A N 1 ATOM 1576 C CA . VAL A 1 201 ? 14.772 -0.676 51.049 1.00 32.57 ? 204 VAL A CA 1 ATOM 1577 C C . VAL A 1 201 ? 14.705 -2.057 51.690 1.00 31.73 ? 204 VAL A C 1 ATOM 1578 O O . VAL A 1 201 ? 13.672 -2.453 52.228 1.00 40.33 ? 204 VAL A O 1 ATOM 1579 C CB . VAL A 1 201 ? 14.680 0.390 52.153 1.00 32.99 ? 204 VAL A CB 1 ATOM 1580 C CG1 . VAL A 1 201 ? 15.795 0.195 53.164 1.00 36.98 ? 204 VAL A CG1 1 ATOM 1581 C CG2 . VAL A 1 201 ? 14.740 1.784 51.551 1.00 30.57 ? 204 VAL A CG2 1 ATOM 1582 N N . GLY A 1 202 ? 15.811 -2.789 51.631 1.00 28.53 ? 205 GLY A N 1 ATOM 1583 C CA . GLY A 1 202 ? 15.854 -4.124 52.197 1.00 37.31 ? 205 GLY A CA 1 ATOM 1584 C C . GLY A 1 202 ? 17.101 -4.451 52.998 1.00 43.82 ? 205 GLY A C 1 ATOM 1585 O O . GLY A 1 202 ? 18.212 -4.054 52.634 1.00 42.62 ? 205 GLY A O 1 ATOM 1586 N N . THR A 1 203 ? 16.906 -5.170 54.103 1.00 51.44 ? 206 THR A N 1 ATOM 1587 C CA . THR A 1 203 ? 18.009 -5.756 54.865 1.00 46.54 ? 206 THR A CA 1 ATOM 1588 C C . THR A 1 203 ? 17.697 -7.226 55.149 1.00 46.44 ? 206 THR A C 1 ATOM 1589 O O . THR A 1 203 ? 16.896 -7.847 54.446 1.00 51.62 ? 206 THR A O 1 ATOM 1590 C CB . THR A 1 203 ? 18.235 -5.042 56.215 1.00 36.34 ? 206 THR A CB 1 ATOM 1591 O OG1 . THR A 1 203 ? 17.142 -5.327 57.098 1.00 37.19 ? 206 THR A OG1 1 ATOM 1592 C CG2 . THR A 1 203 ? 18.360 -3.536 56.029 1.00 33.99 ? 206 THR A CG2 1 ATOM 1593 N N . SER A 1 204 ? 18.328 -7.781 56.180 1.00 36.12 ? 207 SER A N 1 ATOM 1594 C CA . SER A 1 204 ? 18.050 -9.154 56.591 1.00 32.02 ? 207 SER A CA 1 ATOM 1595 C C . SER A 1 204 ? 16.675 -9.244 57.239 1.00 39.88 ? 207 SER A C 1 ATOM 1596 O O . SER A 1 204 ? 15.937 -10.209 57.033 1.00 35.28 ? 207 SER A O 1 ATOM 1597 C CB . SER A 1 204 ? 19.117 -9.651 57.565 1.00 36.64 ? 207 SER A CB 1 ATOM 1598 O OG . SER A 1 204 ? 20.386 -9.712 56.936 1.00 49.82 ? 207 SER A OG 1 ATOM 1599 N N . THR A 1 205 ? 16.338 -8.224 58.022 1.00 64.13 ? 208 THR A N 1 ATOM 1600 C CA . THR A 1 205 ? 15.065 -8.182 58.729 1.00 60.77 ? 208 THR A CA 1 ATOM 1601 C C . THR A 1 205 ? 14.050 -7.351 57.958 1.00 54.33 ? 208 THR A C 1 ATOM 1602 O O . THR A 1 205 ? 12.853 -7.637 57.976 1.00 58.46 ? 208 THR A O 1 ATOM 1603 C CB . THR A 1 205 ? 15.217 -7.541 60.125 1.00 59.81 ? 208 THR A CB 1 ATOM 1604 O OG1 . THR A 1 205 ? 14.946 -6.134 60.042 1.00 63.03 ? 208 THR A OG1 1 ATOM 1605 C CG2 . THR A 1 205 ? 16.621 -7.758 60.671 1.00 60.64 ? 208 THR A CG2 1 ATOM 1606 N N . LEU A 1 206 ? 14.535 -6.317 57.282 1.00 31.85 ? 209 LEU A N 1 ATOM 1607 C CA . LEU A 1 206 ? 13.653 -5.330 56.674 1.00 39.76 ? 209 LEU A CA 1 ATOM 1608 C C . LEU A 1 206 ? 13.351 -5.578 55.202 1.00 44.93 ? 209 LEU A C 1 ATOM 1609 O O . LEU A 1 206 ? 14.232 -5.931 54.419 1.00 48.26 ? 209 LEU A O 1 ATOM 1610 C CB . LEU A 1 206 ? 14.226 -3.922 56.856 1.00 44.10 ? 209 LEU A CB 1 ATOM 1611 C CG . LEU A 1 206 ? 13.385 -2.783 56.276 1.00 19.46 ? 209 LEU A CG 1 ATOM 1612 C CD1 . LEU A 1 206 ? 12.022 -2.723 56.951 1.00 54.16 ? 209 LEU A CD1 1 ATOM 1613 C CD2 . LEU A 1 206 ? 14.114 -1.458 56.405 1.00 33.74 ? 209 LEU A CD2 1 ATOM 1614 N N . ASN A 1 207 ? 12.083 -5.393 54.848 1.00 44.20 ? 210 ASN A N 1 ATOM 1615 C CA . ASN A 1 207 ? 11.647 -5.366 53.459 1.00 33.16 ? 210 ASN A CA 1 ATOM 1616 C C . ASN A 1 207 ? 10.531 -4.344 53.300 1.00 26.24 ? 210 ASN A C 1 ATOM 1617 O O . ASN A 1 207 ? 9.361 -4.639 53.545 1.00 29.79 ? 210 ASN A O 1 ATOM 1618 C CB . ASN A 1 207 ? 11.170 -6.745 52.996 1.00 35.31 ? 210 ASN A CB 1 ATOM 1619 C CG . ASN A 1 207 ? 10.413 -6.685 51.684 1.00 45.80 ? 210 ASN A CG 1 ATOM 1620 O OD1 . ASN A 1 207 ? 10.998 -6.444 50.627 1.00 53.28 ? 210 ASN A OD1 1 ATOM 1621 N ND2 . ASN A 1 207 ? 9.101 -6.889 51.747 1.00 57.09 ? 210 ASN A ND2 1 ATOM 1622 N N . LYS A 1 208 ? 10.896 -3.134 52.899 1.00 29.97 ? 211 LYS A N 1 ATOM 1623 C CA . LYS A 1 208 ? 9.917 -2.063 52.792 1.00 34.45 ? 211 LYS A CA 1 ATOM 1624 C C . LYS A 1 208 ? 9.919 -1.389 51.428 1.00 44.19 ? 211 LYS A C 1 ATOM 1625 O O . LYS A 1 208 ? 10.964 -0.972 50.928 1.00 46.60 ? 211 LYS A O 1 ATOM 1626 C CB . LYS A 1 208 ? 10.129 -1.023 53.891 1.00 30.59 ? 211 LYS A CB 1 ATOM 1627 C CG . LYS A 1 208 ? 9.313 0.229 53.669 1.00 41.50 ? 211 LYS A CG 1 ATOM 1628 C CD . LYS A 1 208 ? 8.895 0.885 54.967 1.00 54.80 ? 211 LYS A CD 1 ATOM 1629 C CE . LYS A 1 208 ? 7.916 2.013 54.684 1.00 61.61 ? 211 LYS A CE 1 ATOM 1630 N NZ . LYS A 1 208 ? 7.804 2.969 55.817 1.00 60.29 ? 211 LYS A NZ 1 ATOM 1631 N N . ARG A 1 209 ? 8.735 -1.282 50.836 1.00 52.78 ? 212 ARG A N 1 ATOM 1632 C CA . ARG A 1 209 ? 8.578 -0.627 49.548 1.00 47.48 ? 212 ARG A CA 1 ATOM 1633 C C . ARG A 1 209 ? 7.574 0.512 49.658 1.00 40.35 ? 212 ARG A C 1 ATOM 1634 O O . ARG A 1 209 ? 6.496 0.353 50.229 1.00 51.66 ? 212 ARG A O 1 ATOM 1635 C CB . ARG A 1 209 ? 8.133 -1.635 48.489 1.00 52.13 ? 212 ARG A CB 1 ATOM 1636 C CG . ARG A 1 209 ? 8.079 -1.081 47.080 1.00 53.49 ? 212 ARG A CG 1 ATOM 1637 C CD . ARG A 1 209 ? 7.936 -2.200 46.062 1.00 58.03 ? 212 ARG A CD 1 ATOM 1638 N NE . ARG A 1 209 ? 7.777 -1.688 44.705 1.00 62.04 ? 212 ARG A NE 1 ATOM 1639 C CZ . ARG A 1 209 ? 6.617 -1.292 44.191 1.00 65.96 ? 212 ARG A CZ 1 ATOM 1640 N NH1 . ARG A 1 209 ? 5.513 -1.347 44.925 1.00 69.91 ? 212 ARG A NH1 1 ATOM 1641 N NH2 . ARG A 1 209 ? 6.560 -0.838 42.946 1.00 64.90 ? 212 ARG A NH2 1 ATOM 1642 N N . SER A 1 210 ? 7.942 1.665 49.115 1.00 29.53 ? 213 SER A N 1 ATOM 1643 C CA . SER A 1 210 ? 7.098 2.847 49.174 1.00 29.73 ? 213 SER A CA 1 ATOM 1644 C C . SER A 1 210 ? 6.938 3.435 47.778 1.00 33.31 ? 213 SER A C 1 ATOM 1645 O O . SER A 1 210 ? 7.835 3.321 46.945 1.00 33.82 ? 213 SER A O 1 ATOM 1646 C CB . SER A 1 210 ? 7.708 3.880 50.124 1.00 37.13 ? 213 SER A CB 1 ATOM 1647 O OG . SER A 1 210 ? 6.830 4.973 50.335 1.00 44.34 ? 213 SER A OG 1 ATOM 1648 N N . THR A 1 211 ? 5.791 4.056 47.523 1.00 47.81 ? 214 THR A N 1 ATOM 1649 C CA . THR A 1 211 ? 5.521 4.667 46.226 1.00 45.92 ? 214 THR A CA 1 ATOM 1650 C C . THR A 1 211 ? 5.317 6.172 46.389 1.00 44.56 ? 214 THR A C 1 ATOM 1651 O O . THR A 1 211 ? 4.925 6.631 47.460 1.00 54.66 ? 214 THR A O 1 ATOM 1652 C CB . THR A 1 211 ? 4.267 4.056 45.579 1.00 48.32 ? 214 THR A CB 1 ATOM 1653 O OG1 . THR A 1 211 ? 3.158 4.171 46.479 1.00 61.74 ? 214 THR A OG1 1 ATOM 1654 C CG2 . THR A 1 211 ? 4.497 2.589 45.251 1.00 37.32 ? 214 THR A CG2 1 ATOM 1655 N N . PRO A 1 212 ? 5.589 6.950 45.331 1.00 36.54 ? 215 PRO A N 1 ATOM 1656 C CA . PRO A 1 212 ? 5.292 8.381 45.415 1.00 30.79 ? 215 PRO A CA 1 ATOM 1657 C C . PRO A 1 212 ? 3.788 8.599 45.427 1.00 42.84 ? 215 PRO A C 1 ATOM 1658 O O . PRO A 1 212 ? 3.061 7.950 44.674 1.00 54.91 ? 215 PRO A O 1 ATOM 1659 C CB . PRO A 1 212 ? 5.895 8.938 44.125 1.00 31.61 ? 215 PRO A CB 1 ATOM 1660 C CG . PRO A 1 212 ? 5.870 7.795 43.178 1.00 43.20 ? 215 PRO A CG 1 ATOM 1661 C CD . PRO A 1 212 ? 6.158 6.582 44.024 1.00 48.11 ? 215 PRO A CD 1 ATOM 1662 N N . GLU A 1 213 ? 3.324 9.499 46.282 1.00 38.57 ? 216 GLU A N 1 ATOM 1663 C CA . GLU A 1 213 ? 1.907 9.813 46.338 1.00 45.57 ? 216 GLU A CA 1 ATOM 1664 C C . GLU A 1 213 ? 1.691 11.229 45.839 1.00 48.55 ? 216 GLU A C 1 ATOM 1665 O O . GLU A 1 213 ? 1.851 12.195 46.582 1.00 65.48 ? 216 GLU A O 1 ATOM 1666 C CB . GLU A 1 213 ? 1.372 9.641 47.757 1.00 61.74 ? 216 GLU A CB 1 ATOM 1667 C CG . GLU A 1 213 ? 1.589 8.243 48.313 1.00 70.96 ? 216 GLU A CG 1 ATOM 1668 C CD . GLU A 1 213 ? 1.020 8.077 49.703 1.00 77.33 ? 216 GLU A CD 1 ATOM 1669 O OE1 . GLU A 1 213 ? 0.429 9.048 50.220 1.00 81.99 ? 216 GLU A OE1 1 ATOM 1670 O OE2 . GLU A 1 213 ? 1.162 6.977 50.276 1.00 79.94 ? 216 GLU A OE2 1 ATOM 1671 N N . ILE A 1 214 ? 1.337 11.339 44.566 1.00 46.88 ? 217 ILE A N 1 ATOM 1672 C CA . ILE A 1 214 ? 1.180 12.634 43.925 1.00 51.00 ? 217 ILE A CA 1 ATOM 1673 C C . ILE A 1 214 ? -0.226 13.190 44.137 1.00 53.43 ? 217 ILE A C 1 ATOM 1674 O O . ILE A 1 214 ? -1.203 12.638 43.625 1.00 63.69 ? 217 ILE A O 1 ATOM 1675 C CB . ILE A 1 214 ? 1.465 12.532 42.420 1.00 49.32 ? 217 ILE A CB 1 ATOM 1676 C CG1 . ILE A 1 214 ? 2.643 11.587 42.168 1.00 50.68 ? 217 ILE A CG1 1 ATOM 1677 C CG2 . ILE A 1 214 ? 1.733 13.906 41.842 1.00 23.69 ? 217 ILE A CG2 1 ATOM 1678 C CD1 . ILE A 1 214 ? 2.921 11.321 40.704 1.00 52.40 ? 217 ILE A CD1 1 ATOM 1679 N N . ALA A 1 215 ? -0.322 14.277 44.897 1.00 27.68 ? 218 ALA A N 1 ATOM 1680 C CA . ALA A 1 215 ? -1.599 14.952 45.119 1.00 35.14 ? 218 ALA A CA 1 ATOM 1681 C C . ALA A 1 215 ? -1.396 16.380 45.621 1.00 40.53 ? 218 ALA A C 1 ATOM 1682 O O . ALA A 1 215 ? -0.354 16.703 46.189 1.00 36.48 ? 218 ALA A O 1 ATOM 1683 C CB . ALA A 1 215 ? -2.458 14.167 46.089 1.00 39.15 ? 218 ALA A CB 1 ATOM 1684 N N . THR A 1 216 ? -2.402 17.228 45.416 1.00 53.13 ? 219 THR A N 1 ATOM 1685 C CA . THR A 1 216 ? -2.311 18.633 45.804 1.00 50.09 ? 219 THR A CA 1 ATOM 1686 C C . THR A 1 216 ? -2.707 18.834 47.264 1.00 53.63 ? 219 THR A C 1 ATOM 1687 O O . THR A 1 216 ? -3.826 18.519 47.663 1.00 66.31 ? 219 THR A O 1 ATOM 1688 C CB . THR A 1 216 ? -3.205 19.528 44.922 1.00 49.72 ? 219 THR A CB 1 ATOM 1689 O OG1 . THR A 1 216 ? -3.219 19.024 43.582 1.00 59.08 ? 219 THR A OG1 1 ATOM 1690 C CG2 . THR A 1 216 ? -2.692 20.964 44.920 1.00 48.95 ? 219 THR A CG2 1 ATOM 1691 N N . ARG A 1 217 ? -1.784 19.372 48.053 1.00 47.19 ? 220 ARG A N 1 ATOM 1692 C CA . ARG A 1 217 ? -2.003 19.568 49.480 1.00 34.38 ? 220 ARG A CA 1 ATOM 1693 C C . ARG A 1 217 ? -1.854 21.042 49.846 1.00 40.08 ? 220 ARG A C 1 ATOM 1694 O O . ARG A 1 217 ? -1.245 21.805 49.099 1.00 49.78 ? 220 ARG A O 1 ATOM 1695 C CB . ARG A 1 217 ? -1.001 18.724 50.271 1.00 29.91 ? 220 ARG A CB 1 ATOM 1696 C CG . ARG A 1 217 ? -0.972 17.262 49.855 1.00 31.16 ? 220 ARG A CG 1 ATOM 1697 C CD . ARG A 1 217 ? 0.167 16.510 50.519 1.00 31.10 ? 220 ARG A CD 1 ATOM 1698 N NE . ARG A 1 217 ? 0.416 15.231 49.862 1.00 42.42 ? 220 ARG A NE 1 ATOM 1699 C CZ . ARG A 1 217 ? 1.237 15.074 48.829 1.00 43.64 ? 220 ARG A CZ 1 ATOM 1700 N NH1 . ARG A 1 217 ? 1.892 16.117 48.336 1.00 38.68 ? 220 ARG A NH1 1 ATOM 1701 N NH2 . ARG A 1 217 ? 1.406 13.875 48.289 1.00 46.63 ? 220 ARG A NH2 1 ATOM 1702 N N . PRO A 1 218 ? -2.425 21.453 50.991 1.00 35.93 ? 221 PRO A N 1 ATOM 1703 C CA . PRO A 1 218 ? -2.226 22.812 51.503 1.00 40.10 ? 221 PRO A CA 1 ATOM 1704 C C . PRO A 1 218 ? -0.747 23.153 51.616 1.00 43.89 ? 221 PRO A C 1 ATOM 1705 O O . PRO A 1 218 ? 0.077 22.261 51.808 1.00 44.04 ? 221 PRO A O 1 ATOM 1706 C CB . PRO A 1 218 ? -2.856 22.747 52.894 1.00 42.21 ? 221 PRO A CB 1 ATOM 1707 C CG . PRO A 1 218 ? -3.929 21.745 52.754 1.00 35.68 ? 221 PRO A CG 1 ATOM 1708 C CD . PRO A 1 218 ? -3.402 20.706 51.802 1.00 40.24 ? 221 PRO A CD 1 ATOM 1709 N N . LYS A 1 219 ? -0.416 24.433 51.495 1.00 48.88 ? 222 LYS A N 1 ATOM 1710 C CA . LYS A 1 219 ? 0.981 24.848 51.455 1.00 49.15 ? 222 LYS A CA 1 ATOM 1711 C C . LYS A 1 219 ? 1.602 24.975 52.845 1.00 47.05 ? 222 LYS A C 1 ATOM 1712 O O . LYS A 1 219 ? 1.119 25.728 53.690 1.00 51.43 ? 222 LYS A O 1 ATOM 1713 C CB . LYS A 1 219 ? 1.144 26.152 50.663 1.00 56.64 ? 222 LYS A CB 1 ATOM 1714 C CG . LYS A 1 219 ? 1.265 25.959 49.151 1.00 62.97 ? 222 LYS A CG 1 ATOM 1715 C CD . LYS A 1 219 ? -0.035 25.464 48.530 1.00 69.47 ? 222 LYS A CD 1 ATOM 1716 C CE . LYS A 1 219 ? 0.179 24.941 47.118 1.00 69.43 ? 222 LYS A CE 1 ATOM 1717 N NZ . LYS A 1 219 ? -0.987 24.146 46.627 1.00 68.58 ? 222 LYS A NZ 1 ATOM 1718 N N . VAL A 1 220 ? 2.667 24.213 53.071 1.00 49.51 ? 223 VAL A N 1 ATOM 1719 C CA . VAL A 1 220 ? 3.474 24.333 54.279 1.00 51.96 ? 223 VAL A CA 1 ATOM 1720 C C . VAL A 1 220 ? 4.868 24.784 53.869 1.00 51.86 ? 223 VAL A C 1 ATOM 1721 O O . VAL A 1 220 ? 5.541 24.105 53.092 1.00 49.26 ? 223 VAL A O 1 ATOM 1722 C CB . VAL A 1 220 ? 3.574 22.995 55.034 1.00 46.48 ? 223 VAL A CB 1 ATOM 1723 C CG1 . VAL A 1 220 ? 4.472 23.140 56.250 1.00 44.61 ? 223 VAL A CG1 1 ATOM 1724 C CG2 . VAL A 1 220 ? 2.190 22.509 55.441 1.00 32.61 ? 223 VAL A CG2 1 ATOM 1725 N N . ASN A 1 221 ? 5.294 25.932 54.388 1.00 54.13 ? 224 ASN A N 1 ATOM 1726 C CA . ASN A 1 221 ? 6.504 26.598 53.911 1.00 54.78 ? 224 ASN A CA 1 ATOM 1727 C C . ASN A 1 221 ? 6.493 26.780 52.396 1.00 56.59 ? 224 ASN A C 1 ATOM 1728 O O . ASN A 1 221 ? 7.534 26.715 51.742 1.00 58.51 ? 224 ASN A O 1 ATOM 1729 C CB . ASN A 1 221 ? 7.767 25.860 54.355 1.00 51.40 ? 224 ASN A CB 1 ATOM 1730 C CG . ASN A 1 221 ? 7.989 25.939 55.851 1.00 53.44 ? 224 ASN A CG 1 ATOM 1731 O OD1 . ASN A 1 221 ? 7.437 26.809 56.526 1.00 63.53 ? 224 ASN A OD1 1 ATOM 1732 N ND2 . ASN A 1 221 ? 8.805 25.034 56.377 1.00 53.78 ? 224 ASN A ND2 1 ATOM 1733 N N . GLY A 1 222 ? 5.303 26.998 51.844 1.00 58.18 ? 225 GLY A N 1 ATOM 1734 C CA . GLY A 1 222 ? 5.157 27.294 50.431 1.00 58.59 ? 225 GLY A CA 1 ATOM 1735 C C . GLY A 1 222 ? 4.978 26.076 49.547 1.00 45.96 ? 225 GLY A C 1 ATOM 1736 O O . GLY A 1 222 ? 4.519 26.194 48.410 1.00 41.03 ? 225 GLY A O 1 ATOM 1737 N N . LEU A 1 223 ? 5.333 24.905 50.069 1.00 37.36 ? 226 LEU A N 1 ATOM 1738 C CA . LEU A 1 223 ? 5.258 23.669 49.293 1.00 34.02 ? 226 LEU A CA 1 ATOM 1739 C C . LEU A 1 223 ? 3.980 22.879 49.555 1.00 33.63 ? 226 LEU A C 1 ATOM 1740 O O . LEU A 1 223 ? 3.502 22.802 50.686 1.00 38.89 ? 226 LEU A O 1 ATOM 1741 C CB . LEU A 1 223 ? 6.473 22.787 49.579 1.00 31.90 ? 226 LEU A CB 1 ATOM 1742 C CG . LEU A 1 223 ? 7.829 23.451 49.351 1.00 38.56 ? 226 LEU A CG 1 ATOM 1743 C CD1 . LEU A 1 223 ? 8.952 22.519 49.766 1.00 22.54 ? 226 LEU A CD1 1 ATOM 1744 C CD2 . LEU A 1 223 ? 7.979 23.865 47.897 1.00 34.73 ? 226 LEU A CD2 1 ATOM 1745 N N . GLY A 1 224 ? 3.432 22.296 48.494 1.00 43.65 ? 227 GLY A N 1 ATOM 1746 C CA . GLY A 1 224 ? 2.303 21.394 48.613 1.00 52.01 ? 227 GLY A CA 1 ATOM 1747 C C . GLY A 1 224 ? 2.785 19.956 48.617 1.00 51.93 ? 227 GLY A C 1 ATOM 1748 O O . GLY A 1 224 ? 2.018 19.029 48.881 1.00 55.79 ? 227 GLY A O 1 ATOM 1749 N N . SER A 1 225 ? 4.067 19.776 48.317 1.00 43.83 ? 228 SER A N 1 ATOM 1750 C CA . SER A 1 225 ? 4.684 18.455 48.319 1.00 44.60 ? 228 SER A CA 1 ATOM 1751 C C . SER A 1 225 ? 5.143 18.086 49.728 1.00 42.31 ? 228 SER A C 1 ATOM 1752 O O . SER A 1 225 ? 5.141 18.927 50.626 1.00 53.23 ? 228 SER A O 1 ATOM 1753 C CB . SER A 1 225 ? 5.865 18.412 47.344 1.00 50.44 ? 228 SER A CB 1 ATOM 1754 O OG . SER A 1 225 ? 6.833 19.398 47.666 1.00 53.48 ? 228 SER A OG 1 ATOM 1755 N N . ARG A 1 226 ? 5.529 16.827 49.923 1.00 27.66 ? 229 ARG A N 1 ATOM 1756 C CA . ARG A 1 226 ? 5.952 16.347 51.240 1.00 20.73 ? 229 ARG A CA 1 ATOM 1757 C C . ARG A 1 226 ? 7.179 15.446 51.149 1.00 27.81 ? 229 ARG A C 1 ATOM 1758 O O . ARG A 1 226 ? 7.485 14.911 50.085 1.00 32.45 ? 229 ARG A O 1 ATOM 1759 C CB . ARG A 1 226 ? 4.824 15.561 51.906 1.00 27.42 ? 229 ARG A CB 1 ATOM 1760 C CG . ARG A 1 226 ? 3.509 16.304 52.019 1.00 29.65 ? 229 ARG A CG 1 ATOM 1761 C CD . ARG A 1 226 ? 3.578 17.363 53.091 1.00 23.95 ? 229 ARG A CD 1 ATOM 1762 N NE . ARG A 1 226 ? 2.282 17.993 53.313 1.00 31.38 ? 229 ARG A NE 1 ATOM 1763 C CZ . ARG A 1 226 ? 1.949 19.191 52.848 1.00 42.28 ? 229 ARG A CZ 1 ATOM 1764 N NH1 . ARG A 1 226 ? 2.823 19.891 52.136 1.00 42.24 ? 229 ARG A NH1 1 ATOM 1765 N NH2 . ARG A 1 226 ? 0.746 19.692 53.100 1.00 51.21 ? 229 ARG A NH2 1 ATOM 1766 N N . MET A 1 227 ? 7.874 15.278 52.271 1.00 31.11 ? 230 MET A N 1 ATOM 1767 C CA . MET A 1 227 ? 8.948 14.293 52.365 1.00 26.98 ? 230 MET A CA 1 ATOM 1768 C C . MET A 1 227 ? 8.777 13.392 53.580 1.00 32.56 ? 230 MET A C 1 ATOM 1769 O O . MET A 1 227 ? 8.935 13.824 54.721 1.00 38.94 ? 230 MET A O 1 ATOM 1770 C CB . MET A 1 227 ? 10.320 14.961 52.389 1.00 34.41 ? 230 MET A CB 1 ATOM 1771 C CG . MET A 1 227 ? 10.743 15.487 51.037 1.00 39.17 ? 230 MET A CG 1 ATOM 1772 S SD . MET A 1 227 ? 12.514 15.746 50.875 1.00 50.06 ? 230 MET A SD 1 ATOM 1773 C CE . MET A 1 227 ? 12.585 16.334 49.185 1.00 58.75 ? 230 MET A CE 1 ATOM 1774 N N . GLU A 1 228 ? 8.463 12.131 53.314 1.00 32.31 ? 231 GLU A N 1 ATOM 1775 C CA . GLU A 1 228 ? 8.191 11.156 54.358 1.00 32.54 ? 231 GLU A CA 1 ATOM 1776 C C . GLU A 1 228 ? 9.437 10.336 54.671 1.00 33.77 ? 231 GLU A C 1 ATOM 1777 O O . GLU A 1 228 ? 9.989 9.678 53.792 1.00 39.29 ? 231 GLU A O 1 ATOM 1778 C CB . GLU A 1 228 ? 7.044 10.251 53.911 1.00 35.16 ? 231 GLU A CB 1 ATOM 1779 C CG . GLU A 1 228 ? 6.844 9.001 54.729 1.00 43.94 ? 231 GLU A CG 1 ATOM 1780 C CD . GLU A 1 228 ? 5.834 8.075 54.085 1.00 59.31 ? 231 GLU A CD 1 ATOM 1781 O OE1 . GLU A 1 228 ? 4.729 8.551 53.747 1.00 71.53 ? 231 GLU A OE1 1 ATOM 1782 O OE2 . GLU A 1 228 ? 6.148 6.880 53.897 1.00 58.13 ? 231 GLU A OE2 1 ATOM 1783 N N . PHE A 1 229 ? 9.880 10.382 55.923 1.00 25.87 ? 232 PHE A N 1 ATOM 1784 C CA . PHE A 1 229 ? 11.089 9.672 56.327 1.00 28.96 ? 232 PHE A CA 1 ATOM 1785 C C . PHE A 1 229 ? 10.798 8.405 57.133 1.00 32.46 ? 232 PHE A C 1 ATOM 1786 O O . PHE A 1 229 ? 9.863 8.360 57.935 1.00 34.93 ? 232 PHE A O 1 ATOM 1787 C CB . PHE A 1 229 ? 12.019 10.593 57.125 1.00 23.32 ? 232 PHE A CB 1 ATOM 1788 C CG . PHE A 1 229 ? 12.485 11.800 56.359 1.00 23.45 ? 232 PHE A CG 1 ATOM 1789 C CD1 . PHE A 1 229 ? 13.621 11.740 55.568 1.00 29.18 ? 232 PHE A CD1 1 ATOM 1790 C CD2 . PHE A 1 229 ? 11.790 12.995 56.435 1.00 29.72 ? 232 PHE A CD2 1 ATOM 1791 C CE1 . PHE A 1 229 ? 14.051 12.852 54.864 1.00 33.26 ? 232 PHE A CE1 1 ATOM 1792 C CE2 . PHE A 1 229 ? 12.214 14.108 55.734 1.00 32.98 ? 232 PHE A CE2 1 ATOM 1793 C CZ . PHE A 1 229 ? 13.345 14.037 54.947 1.00 31.20 ? 232 PHE A CZ 1 ATOM 1794 N N . SER A 1 230 ? 11.604 7.375 56.899 1.00 30.79 ? 233 SER A N 1 ATOM 1795 C CA . SER A 1 230 ? 11.560 6.154 57.693 1.00 32.49 ? 233 SER A CA 1 ATOM 1796 C C . SER A 1 230 ? 12.969 5.851 58.175 1.00 45.26 ? 233 SER A C 1 ATOM 1797 O O . SER A 1 230 ? 13.938 6.423 57.673 1.00 54.21 ? 233 SER A O 1 ATOM 1798 C CB . SER A 1 230 ? 11.030 4.983 56.865 1.00 32.42 ? 233 SER A CB 1 ATOM 1799 O OG . SER A 1 230 ? 9.767 5.281 56.297 1.00 38.92 ? 233 SER A OG 1 ATOM 1800 N N . TRP A 1 231 ? 13.089 4.954 59.146 1.00 47.92 ? 234 TRP A N 1 ATOM 1801 C CA . TRP A 1 231 ? 14.398 4.618 59.697 1.00 41.00 ? 234 TRP A CA 1 ATOM 1802 C C . TRP A 1 231 ? 14.502 3.138 60.036 1.00 33.78 ? 234 TRP A C 1 ATOM 1803 O O . TRP A 1 231 ? 13.506 2.415 60.017 1.00 38.32 ? 234 TRP A O 1 ATOM 1804 C CB . TRP A 1 231 ? 14.689 5.459 60.941 1.00 35.47 ? 234 TRP A CB 1 ATOM 1805 C CG . TRP A 1 231 ? 13.740 5.207 62.079 1.00 37.41 ? 234 TRP A CG 1 ATOM 1806 C CD1 . TRP A 1 231 ? 12.482 5.720 62.231 1.00 38.51 ? 234 TRP A CD1 1 ATOM 1807 C CD2 . TRP A 1 231 ? 13.977 4.381 63.223 1.00 31.18 ? 234 TRP A CD2 1 ATOM 1808 N NE1 . TRP A 1 231 ? 11.923 5.264 63.400 1.00 30.51 ? 234 TRP A NE1 1 ATOM 1809 C CE2 . TRP A 1 231 ? 12.819 4.441 64.028 1.00 34.71 ? 234 TRP A CE2 1 ATOM 1810 C CE3 . TRP A 1 231 ? 15.053 3.596 63.647 1.00 31.88 ? 234 TRP A CE3 1 ATOM 1811 C CZ2 . TRP A 1 231 ? 12.711 3.747 65.231 1.00 36.99 ? 234 TRP A CZ2 1 ATOM 1812 C CZ3 . TRP A 1 231 ? 14.945 2.909 64.842 1.00 38.21 ? 234 TRP A CZ3 1 ATOM 1813 C CH2 . TRP A 1 231 ? 13.781 2.989 65.620 1.00 41.30 ? 234 TRP A CH2 1 ATOM 1814 N N . THR A 1 232 ? 15.716 2.693 60.339 1.00 27.38 ? 235 THR A N 1 ATOM 1815 C CA . THR A 1 232 ? 15.943 1.307 60.728 1.00 40.19 ? 235 THR A CA 1 ATOM 1816 C C . THR A 1 232 ? 17.240 1.157 61.517 1.00 43.21 ? 235 THR A C 1 ATOM 1817 O O . THR A 1 232 ? 18.092 2.048 61.508 1.00 42.64 ? 235 THR A O 1 ATOM 1818 C CB . THR A 1 232 ? 15.989 0.370 59.501 1.00 36.84 ? 235 THR A CB 1 ATOM 1819 O OG1 . THR A 1 232 ? 16.104 -0.992 59.935 1.00 35.21 ? 235 THR A OG1 1 ATOM 1820 C CG2 . THR A 1 232 ? 17.170 0.714 58.605 1.00 29.03 ? 235 THR A CG2 1 ATOM 1821 N N . LEU A 1 233 ? 17.375 0.031 62.209 1.00 33.75 ? 236 LEU A N 1 ATOM 1822 C CA . LEU A 1 233 ? 18.634 -0.328 62.847 1.00 31.27 ? 236 LEU A CA 1 ATOM 1823 C C . LEU A 1 233 ? 19.303 -1.455 62.076 1.00 37.21 ? 236 LEU A C 1 ATOM 1824 O O . LEU A 1 233 ? 18.851 -2.600 62.116 1.00 54.19 ? 236 LEU A O 1 ATOM 1825 C CB . LEU A 1 233 ? 18.417 -0.764 64.298 1.00 30.40 ? 236 LEU A CB 1 ATOM 1826 C CG . LEU A 1 233 ? 18.247 0.317 65.365 1.00 31.23 ? 236 LEU A CG 1 ATOM 1827 C CD1 . LEU A 1 233 ? 18.568 -0.253 66.733 1.00 21.83 ? 236 LEU A CD1 1 ATOM 1828 C CD2 . LEU A 1 233 ? 19.130 1.515 65.068 1.00 49.47 ? 236 LEU A CD2 1 ATOM 1829 N N . LEU A 1 234 ? 20.380 -1.127 61.372 1.00 22.69 ? 237 LEU A N 1 ATOM 1830 C CA . LEU A 1 234 ? 21.146 -2.127 60.639 1.00 27.79 ? 237 LEU A CA 1 ATOM 1831 C C . LEU A 1 234 ? 22.092 -2.844 61.595 1.00 39.38 ? 237 LEU A C 1 ATOM 1832 O O . LEU A 1 234 ? 22.950 -2.218 62.221 1.00 49.04 ? 237 LEU A O 1 ATOM 1833 C CB . LEU A 1 234 ? 21.934 -1.473 59.503 1.00 23.35 ? 237 LEU A CB 1 ATOM 1834 C CG . LEU A 1 234 ? 22.691 -2.387 58.538 1.00 24.12 ? 237 LEU A CG 1 ATOM 1835 C CD1 . LEU A 1 234 ? 21.729 -3.190 57.678 1.00 36.27 ? 237 LEU A CD1 1 ATOM 1836 C CD2 . LEU A 1 234 ? 23.633 -1.573 57.669 1.00 65.53 ? 237 LEU A CD2 1 ATOM 1837 N N . ASP A 1 235 ? 21.928 -4.158 61.710 1.00 50.89 ? 238 ASP A N 1 ATOM 1838 C CA . ASP A 1 235 ? 22.742 -4.954 62.620 1.00 59.72 ? 238 ASP A CA 1 ATOM 1839 C C . ASP A 1 235 ? 24.192 -5.003 62.158 1.00 67.26 ? 238 ASP A C 1 ATOM 1840 O O . ASP A 1 235 ? 24.523 -4.557 61.059 1.00 68.69 ? 238 ASP A O 1 ATOM 1841 C CB . ASP A 1 235 ? 22.187 -6.374 62.725 1.00 64.91 ? 238 ASP A CB 1 ATOM 1842 C CG . ASP A 1 235 ? 20.690 -6.398 62.956 1.00 79.04 ? 238 ASP A CG 1 ATOM 1843 O OD1 . ASP A 1 235 ? 20.270 -6.346 64.131 1.00 82.12 ? 238 ASP A OD1 1 ATOM 1844 O OD2 . ASP A 1 235 ? 19.934 -6.469 61.962 1.00 83.23 ? 238 ASP A OD2 1 ATOM 1845 N N . MET A 1 236 ? 25.055 -5.549 63.005 1.00 69.41 ? 239 MET A N 1 ATOM 1846 C CA . MET A 1 236 ? 26.454 -5.720 62.646 1.00 61.13 ? 239 MET A CA 1 ATOM 1847 C C . MET A 1 236 ? 26.604 -6.797 61.574 1.00 62.09 ? 239 MET A C 1 ATOM 1848 O O . MET A 1 236 ? 25.858 -7.780 61.560 1.00 68.94 ? 239 MET A O 1 ATOM 1849 C CB . MET A 1 236 ? 27.281 -6.063 63.884 1.00 57.34 ? 239 MET A CB 1 ATOM 1850 C CG . MET A 1 236 ? 27.395 -4.918 64.878 1.00 53.69 ? 239 MET A CG 1 ATOM 1851 S SD . MET A 1 236 ? 28.131 -5.408 66.448 1.00 98.60 ? 239 MET A SD 1 ATOM 1852 C CE . MET A 1 236 ? 26.713 -6.114 67.286 1.00 62.05 ? 239 MET A CE 1 ATOM 1853 N N . TRP A 1 237 ? 27.562 -6.586 60.673 1.00 54.72 ? 240 TRP A N 1 ATOM 1854 C CA . TRP A 1 237 ? 27.851 -7.505 59.568 1.00 56.08 ? 240 TRP A CA 1 ATOM 1855 C C . TRP A 1 237 ? 26.673 -7.712 58.618 1.00 57.53 ? 240 TRP A C 1 ATOM 1856 O O . TRP A 1 237 ? 26.655 -8.670 57.846 1.00 69.15 ? 240 TRP A O 1 ATOM 1857 C CB . TRP A 1 237 ? 28.364 -8.855 60.086 1.00 60.03 ? 240 TRP A CB 1 ATOM 1858 C CG . TRP A 1 237 ? 29.113 -8.752 61.377 1.00 69.00 ? 240 TRP A CG 1 ATOM 1859 C CD1 . TRP A 1 237 ? 28.789 -9.347 62.561 1.00 76.39 ? 240 TRP A CD1 1 ATOM 1860 C CD2 . TRP A 1 237 ? 30.301 -7.988 61.622 1.00 62.04 ? 240 TRP A CD2 1 ATOM 1861 N NE1 . TRP A 1 237 ? 29.708 -9.009 63.526 1.00 75.03 ? 240 TRP A NE1 1 ATOM 1862 C CE2 . TRP A 1 237 ? 30.645 -8.175 62.975 1.00 65.55 ? 240 TRP A CE2 1 ATOM 1863 C CE3 . TRP A 1 237 ? 31.109 -7.167 60.827 1.00 51.00 ? 240 TRP A CE3 1 ATOM 1864 C CZ2 . TRP A 1 237 ? 31.759 -7.575 63.551 1.00 68.49 ? 240 TRP A CZ2 1 ATOM 1865 C CZ3 . TRP A 1 237 ? 32.214 -6.571 61.401 1.00 55.17 ? 240 TRP A CZ3 1 ATOM 1866 C CH2 . TRP A 1 237 ? 32.530 -6.780 62.750 1.00 67.24 ? 240 TRP A CH2 1 ATOM 1867 N N . ASP A 1 238 ? 25.700 -6.809 58.669 1.00 42.57 ? 241 ASP A N 1 ATOM 1868 C CA . ASP A 1 238 ? 24.522 -6.916 57.816 1.00 40.10 ? 241 ASP A CA 1 ATOM 1869 C C . ASP A 1 238 ? 24.516 -5.822 56.758 1.00 40.17 ? 241 ASP A C 1 ATOM 1870 O O . ASP A 1 238 ? 25.010 -4.719 56.990 1.00 44.28 ? 241 ASP A O 1 ATOM 1871 C CB . ASP A 1 238 ? 23.243 -6.854 58.651 1.00 49.30 ? 241 ASP A CB 1 ATOM 1872 C CG . ASP A 1 238 ? 21.996 -7.127 57.831 1.00 58.38 ? 241 ASP A CG 1 ATOM 1873 O OD1 . ASP A 1 238 ? 22.112 -7.792 56.780 1.00 61.63 ? 241 ASP A OD1 1 ATOM 1874 O OD2 . ASP A 1 238 ? 20.901 -6.683 58.240 1.00 57.95 ? 241 ASP A OD2 1 ATOM 1875 N N . THR A 1 239 ? 23.958 -6.137 55.596 1.00 43.98 ? 242 THR A N 1 ATOM 1876 C CA . THR A 1 239 ? 23.936 -5.207 54.476 1.00 47.25 ? 242 THR A CA 1 ATOM 1877 C C . THR A 1 239 ? 22.558 -4.566 54.343 1.00 49.45 ? 242 THR A C 1 ATOM 1878 O O . THR A 1 239 ? 21.551 -5.162 54.715 1.00 53.99 ? 242 THR A O 1 ATOM 1879 C CB . THR A 1 239 ? 24.311 -5.924 53.159 1.00 52.12 ? 242 THR A CB 1 ATOM 1880 O OG1 . THR A 1 239 ? 25.372 -6.854 53.411 1.00 59.65 ? 242 THR A OG1 1 ATOM 1881 C CG2 . THR A 1 239 ? 24.763 -4.922 52.104 1.00 53.06 ? 242 THR A CG2 1 ATOM 1882 N N . ILE A 1 240 ? 22.523 -3.338 53.842 1.00 49.04 ? 243 ILE A N 1 ATOM 1883 C CA . ILE A 1 240 ? 21.266 -2.667 53.543 1.00 45.83 ? 243 ILE A CA 1 ATOM 1884 C C . ILE A 1 240 ? 21.214 -2.465 52.032 1.00 57.38 ? 243 ILE A C 1 ATOM 1885 O O . ILE A 1 240 ? 22.252 -2.316 51.396 1.00 66.86 ? 243 ILE A O 1 ATOM 1886 C CB . ILE A 1 240 ? 21.154 -1.318 54.292 1.00 37.05 ? 243 ILE A CB 1 ATOM 1887 C CG1 . ILE A 1 240 ? 19.749 -0.715 54.151 1.00 29.79 ? 243 ILE A CG1 1 ATOM 1888 C CG2 . ILE A 1 240 ? 22.226 -0.338 53.819 1.00 24.69 ? 243 ILE A CG2 1 ATOM 1889 C CD1 . ILE A 1 240 ? 19.503 0.481 55.060 1.00 22.55 ? 243 ILE A CD1 1 ATOM 1890 N N . ASN A 1 241 ? 20.021 -2.487 51.446 1.00 56.14 ? 244 ASN A N 1 ATOM 1891 C CA . ASN A 1 241 ? 19.896 -2.318 49.999 1.00 48.71 ? 244 ASN A CA 1 ATOM 1892 C C . ASN A 1 241 ? 18.880 -1.266 49.580 1.00 50.30 ? 244 ASN A C 1 ATOM 1893 O O . ASN A 1 241 ? 17.676 -1.482 49.675 1.00 63.62 ? 244 ASN A O 1 ATOM 1894 C CB . ASN A 1 241 ? 19.576 -3.651 49.316 1.00 52.25 ? 244 ASN A CB 1 ATOM 1895 C CG . ASN A 1 241 ? 20.819 -4.455 49.000 1.00 62.47 ? 244 ASN A CG 1 ATOM 1896 O OD1 . ASN A 1 241 ? 21.362 -4.370 47.898 1.00 70.17 ? 244 ASN A OD1 1 ATOM 1897 N ND2 . ASN A 1 241 ? 21.280 -5.241 49.965 1.00 64.30 ? 244 ASN A ND2 1 ATOM 1898 N N . PHE A 1 242 ? 19.375 -0.125 49.113 1.00 40.83 ? 245 PHE A N 1 ATOM 1899 C CA . PHE A 1 242 ? 18.507 0.885 48.525 1.00 37.96 ? 245 PHE A CA 1 ATOM 1900 C C . PHE A 1 242 ? 18.359 0.640 47.024 1.00 40.48 ? 245 PHE A C 1 ATOM 1901 O O . PHE A 1 242 ? 19.327 0.310 46.342 1.00 51.68 ? 245 PHE A O 1 ATOM 1902 C CB . PHE A 1 242 ? 19.036 2.292 48.792 1.00 22.71 ? 245 PHE A CB 1 ATOM 1903 C CG . PHE A 1 242 ? 19.084 2.654 50.247 1.00 35.32 ? 245 PHE A CG 1 ATOM 1904 C CD1 . PHE A 1 242 ? 17.942 3.068 50.911 1.00 36.11 ? 245 PHE A CD1 1 ATOM 1905 C CD2 . PHE A 1 242 ? 20.274 2.582 50.952 1.00 35.83 ? 245 PHE A CD2 1 ATOM 1906 C CE1 . PHE A 1 242 ? 17.984 3.404 52.254 1.00 41.35 ? 245 PHE A CE1 1 ATOM 1907 C CE2 . PHE A 1 242 ? 20.325 2.919 52.293 1.00 36.84 ? 245 PHE A CE2 1 ATOM 1908 C CZ . PHE A 1 242 ? 19.179 3.330 52.945 1.00 45.29 ? 245 PHE A CZ 1 ATOM 1909 N N . GLU A 1 243 ? 17.136 0.789 46.526 1.00 39.19 ? 246 GLU A N 1 ATOM 1910 C CA . GLU A 1 243 ? 16.829 0.596 45.112 1.00 46.49 ? 246 GLU A CA 1 ATOM 1911 C C . GLU A 1 243 ? 15.606 1.421 44.749 1.00 50.20 ? 246 GLU A C 1 ATOM 1912 O O . GLU A 1 243 ? 14.521 1.187 45.282 1.00 59.03 ? 246 GLU A O 1 ATOM 1913 C CB . GLU A 1 243 ? 16.555 -0.881 44.824 1.00 58.44 ? 246 GLU A CB 1 ATOM 1914 C CG . GLU A 1 243 ? 16.044 -1.172 43.418 1.00 79.59 ? 246 GLU A CG 1 ATOM 1915 C CD . GLU A 1 243 ? 15.780 -2.652 43.198 1.00 95.38 ? 246 GLU A CD 1 ATOM 1916 O OE1 . GLU A 1 243 ? 16.186 -3.452 44.067 1.00 98.53 ? 246 GLU A OE1 1 ATOM 1917 O OE2 . GLU A 1 243 ? 15.172 -3.017 42.164 1.00 98.02 ? 246 GLU A OE2 1 ATOM 1918 N N . SER A 1 244 ? 15.775 2.383 43.848 1.00 41.92 ? 247 SER A N 1 ATOM 1919 C CA . SER A 1 244 ? 14.672 3.271 43.499 1.00 46.47 ? 247 SER A CA 1 ATOM 1920 C C . SER A 1 244 ? 14.720 3.824 42.071 1.00 48.86 ? 247 SER A C 1 ATOM 1921 O O . SER A 1 244 ? 15.783 4.192 41.561 1.00 35.02 ? 247 SER A O 1 ATOM 1922 C CB . SER A 1 244 ? 14.590 4.428 44.496 1.00 51.98 ? 247 SER A CB 1 ATOM 1923 O OG . SER A 1 244 ? 14.628 5.678 43.822 1.00 69.02 ? 247 SER A OG 1 ATOM 1924 N N . THR A 1 245 ? 13.547 3.889 41.442 1.00 56.71 ? 248 THR A N 1 ATOM 1925 C CA . THR A 1 245 ? 13.396 4.462 40.109 1.00 48.57 ? 248 THR A CA 1 ATOM 1926 C C . THR A 1 245 ? 13.001 5.926 40.203 1.00 42.65 ? 248 THR A C 1 ATOM 1927 O O . THR A 1 245 ? 12.668 6.554 39.200 1.00 45.87 ? 248 THR A O 1 ATOM 1928 C CB . THR A 1 245 ? 12.309 3.736 39.312 1.00 49.42 ? 248 THR A CB 1 ATOM 1929 O OG1 . THR A 1 245 ? 11.141 3.581 40.129 1.00 53.14 ? 248 THR A OG1 1 ATOM 1930 C CG2 . THR A 1 245 ? 12.797 2.367 38.872 1.00 50.67 ? 248 THR A CG2 1 ATOM 1931 N N . GLY A 1 246 ? 13.028 6.462 41.418 1.00 43.82 ? 249 GLY A N 1 ATOM 1932 C CA . GLY A 1 246 ? 12.699 7.855 41.636 1.00 43.95 ? 249 GLY A CA 1 ATOM 1933 C C . GLY A 1 246 ? 12.232 8.151 43.047 1.00 46.73 ? 249 GLY A C 1 ATOM 1934 O O . GLY A 1 246 ? 11.934 7.240 43.822 1.00 47.84 ? 249 GLY A O 1 ATOM 1935 N N . ASN A 1 247 ? 12.193 9.441 43.373 1.00 45.64 ? 250 ASN A N 1 ATOM 1936 C CA . ASN A 1 247 ? 11.633 9.942 44.629 1.00 42.03 ? 250 ASN A CA 1 ATOM 1937 C C . ASN A 1 247 ? 12.414 9.586 45.898 1.00 49.94 ? 250 ASN A C 1 ATOM 1938 O O . ASN A 1 247 ? 12.020 9.973 46.997 1.00 51.12 ? 250 ASN A O 1 ATOM 1939 C CB . ASN A 1 247 ? 10.167 9.525 44.773 1.00 27.71 ? 250 ASN A CB 1 ATOM 1940 C CG . ASN A 1 247 ? 9.330 9.926 43.578 1.00 34.63 ? 250 ASN A CG 1 ATOM 1941 O OD1 . ASN A 1 247 ? 9.355 9.267 42.539 1.00 39.94 ? 250 ASN A OD1 1 ATOM 1942 N ND2 . ASN A 1 247 ? 8.580 11.010 43.720 1.00 44.48 ? 250 ASN A ND2 1 ATOM 1943 N N . LEU A 1 248 ? 13.518 8.863 45.749 1.00 39.12 ? 251 LEU A N 1 ATOM 1944 C CA . LEU A 1 248 ? 14.332 8.488 46.900 1.00 27.49 ? 251 LEU A CA 1 ATOM 1945 C C . LEU A 1 248 ? 15.119 9.671 47.447 1.00 31.64 ? 251 LEU A C 1 ATOM 1946 O O . LEU A 1 248 ? 15.752 10.412 46.695 1.00 45.09 ? 251 LEU A O 1 ATOM 1947 C CB . LEU A 1 248 ? 15.300 7.361 46.538 1.00 33.66 ? 251 LEU A CB 1 ATOM 1948 C CG . LEU A 1 248 ? 16.439 7.111 47.530 1.00 21.64 ? 251 LEU A CG 1 ATOM 1949 C CD1 . LEU A 1 248 ? 15.913 6.555 48.845 1.00 23.05 ? 251 LEU A CD1 1 ATOM 1950 C CD2 . LEU A 1 248 ? 17.485 6.187 46.929 1.00 41.95 ? 251 LEU A CD2 1 ATOM 1951 N N . ILE A 1 249 ? 15.066 9.843 48.762 1.00 31.52 ? 252 ILE A N 1 ATOM 1952 C CA . ILE A 1 249 ? 15.926 10.794 49.448 1.00 38.04 ? 252 ILE A CA 1 ATOM 1953 C C . ILE A 1 249 ? 16.913 9.996 50.285 1.00 37.41 ? 252 ILE A C 1 ATOM 1954 O O . ILE A 1 249 ? 16.569 9.485 51.354 1.00 33.82 ? 252 ILE A O 1 ATOM 1955 C CB . ILE A 1 249 ? 15.120 11.739 50.350 1.00 37.44 ? 252 ILE A CB 1 ATOM 1956 C CG1 . ILE A 1 249 ? 13.975 12.366 49.559 1.00 20.51 ? 252 ILE A CG1 1 ATOM 1957 C CG2 . ILE A 1 249 ? 16.018 12.821 50.929 1.00 27.10 ? 252 ILE A CG2 1 ATOM 1958 C CD1 . ILE A 1 249 ? 14.438 13.099 48.327 1.00 46.74 ? 252 ILE A CD1 1 ATOM 1959 N N . ALA A 1 250 ? 18.140 9.889 49.787 1.00 22.10 ? 253 ALA A N 1 ATOM 1960 C CA . ALA A 1 250 ? 19.102 8.941 50.334 1.00 30.40 ? 253 ALA A CA 1 ATOM 1961 C C . ALA A 1 250 ? 19.906 9.469 51.516 1.00 35.22 ? 253 ALA A C 1 ATOM 1962 O O . ALA A 1 250 ? 20.183 10.664 51.606 1.00 38.56 ? 253 ALA A O 1 ATOM 1963 C CB . ALA A 1 250 ? 20.034 8.454 49.241 1.00 24.94 ? 253 ALA A CB 1 ATOM 1964 N N . PRO A 1 251 ? 20.277 8.567 52.436 1.00 36.67 ? 254 PRO A N 1 ATOM 1965 C CA . PRO A 1 251 ? 21.195 8.907 53.524 1.00 38.51 ? 254 PRO A CA 1 ATOM 1966 C C . PRO A 1 251 ? 22.627 8.971 53.022 1.00 45.92 ? 254 PRO A C 1 ATOM 1967 O O . PRO A 1 251 ? 23.032 8.156 52.191 1.00 49.11 ? 254 PRO A O 1 ATOM 1968 C CB . PRO A 1 251 ? 21.043 7.728 54.486 1.00 41.06 ? 254 PRO A CB 1 ATOM 1969 C CG . PRO A 1 251 ? 20.647 6.589 53.622 1.00 39.25 ? 254 PRO A CG 1 ATOM 1970 C CD . PRO A 1 251 ? 19.778 7.184 52.545 1.00 36.86 ? 254 PRO A CD 1 ATOM 1971 N N . GLU A 1 252 ? 23.378 9.948 53.513 1.00 56.23 ? 255 GLU A N 1 ATOM 1972 C CA . GLU A 1 252 ? 24.801 10.028 53.226 1.00 55.88 ? 255 GLU A CA 1 ATOM 1973 C C . GLU A 1 252 ? 25.547 9.505 54.443 1.00 56.33 ? 255 GLU A C 1 ATOM 1974 O O . GLU A 1 252 ? 26.683 9.045 54.338 1.00 41.01 ? 255 GLU A O 1 ATOM 1975 C CB . GLU A 1 252 ? 25.215 11.470 52.921 1.00 53.63 ? 255 GLU A CB 1 ATOM 1976 C CG . GLU A 1 252 ? 26.618 11.608 52.351 1.00 65.56 ? 255 GLU A CG 1 ATOM 1977 C CD . GLU A 1 252 ? 27.008 13.050 52.067 1.00 78.27 ? 255 GLU A CD 1 ATOM 1978 O OE1 . GLU A 1 252 ? 26.175 13.953 52.300 1.00 79.81 ? 255 GLU A OE1 1 ATOM 1979 O OE2 . GLU A 1 252 ? 28.154 13.279 51.621 1.00 81.88 ? 255 GLU A OE2 1 ATOM 1980 N N . TYR A 1 253 ? 24.885 9.561 55.597 1.00 71.05 ? 256 TYR A N 1 ATOM 1981 C CA . TYR A 1 253 ? 25.491 9.144 56.858 1.00 62.44 ? 256 TYR A CA 1 ATOM 1982 C C . TYR A 1 253 ? 24.632 8.143 57.629 1.00 57.66 ? 256 TYR A C 1 ATOM 1983 O O . TYR A 1 253 ? 23.406 8.113 57.489 1.00 55.36 ? 256 TYR A O 1 ATOM 1984 C CB . TYR A 1 253 ? 25.760 10.360 57.752 1.00 55.53 ? 256 TYR A CB 1 ATOM 1985 C CG . TYR A 1 253 ? 26.659 11.412 57.140 1.00 60.11 ? 256 TYR A CG 1 ATOM 1986 C CD1 . TYR A 1 253 ? 28.021 11.424 57.400 1.00 60.70 ? 256 TYR A CD1 1 ATOM 1987 C CD2 . TYR A 1 253 ? 26.142 12.398 56.312 1.00 63.74 ? 256 TYR A CD2 1 ATOM 1988 C CE1 . TYR A 1 253 ? 28.847 12.385 56.849 1.00 64.26 ? 256 TYR A CE1 1 ATOM 1989 C CE2 . TYR A 1 253 ? 26.957 13.366 55.754 1.00 70.84 ? 256 TYR A CE2 1 ATOM 1990 C CZ . TYR A 1 253 ? 28.310 13.354 56.026 1.00 70.86 ? 256 TYR A CZ 1 ATOM 1991 O OH . TYR A 1 253 ? 29.127 14.312 55.474 1.00 74.96 ? 256 TYR A OH 1 ATOM 1992 N N . GLY A 1 254 ? 25.296 7.331 58.448 1.00 45.08 ? 257 GLY A N 1 ATOM 1993 C CA . GLY A 1 254 ? 24.627 6.460 59.397 1.00 40.09 ? 257 GLY A CA 1 ATOM 1994 C C . GLY A 1 254 ? 25.095 6.796 60.801 1.00 42.93 ? 257 GLY A C 1 ATOM 1995 O O . GLY A 1 254 ? 26.022 7.587 60.971 1.00 48.48 ? 257 GLY A O 1 ATOM 1996 N N . PHE A 1 255 ? 24.467 6.200 61.811 1.00 49.27 ? 258 PHE A N 1 ATOM 1997 C CA . PHE A 1 255 ? 24.824 6.491 63.198 1.00 46.18 ? 258 PHE A CA 1 ATOM 1998 C C . PHE A 1 255 ? 25.107 5.224 64.005 1.00 50.18 ? 258 PHE A C 1 ATOM 1999 O O . PHE A 1 255 ? 24.212 4.409 64.215 1.00 51.68 ? 258 PHE A O 1 ATOM 2000 C CB . PHE A 1 255 ? 23.707 7.284 63.884 1.00 32.22 ? 258 PHE A CB 1 ATOM 2001 C CG . PHE A 1 255 ? 23.335 8.557 63.176 1.00 31.36 ? 258 PHE A CG 1 ATOM 2002 C CD1 . PHE A 1 255 ? 24.100 9.700 63.327 1.00 33.53 ? 258 PHE A CD1 1 ATOM 2003 C CD2 . PHE A 1 255 ? 22.205 8.614 62.377 1.00 36.84 ? 258 PHE A CD2 1 ATOM 2004 C CE1 . PHE A 1 255 ? 23.752 10.872 62.682 1.00 38.98 ? 258 PHE A CE1 1 ATOM 2005 C CE2 . PHE A 1 255 ? 21.852 9.781 61.731 1.00 32.98 ? 258 PHE A CE2 1 ATOM 2006 C CZ . PHE A 1 255 ? 22.625 10.912 61.884 1.00 34.49 ? 258 PHE A CZ 1 ATOM 2007 N N . LYS A 1 256 ? 26.346 5.064 64.461 1.00 49.28 ? 259 LYS A N 1 ATOM 2008 C CA . LYS A 1 256 ? 26.682 3.966 65.362 1.00 47.31 ? 259 LYS A CA 1 ATOM 2009 C C . LYS A 1 256 ? 25.971 4.201 66.685 1.00 48.93 ? 259 LYS A C 1 ATOM 2010 O O . LYS A 1 256 ? 25.899 5.333 67.161 1.00 54.39 ? 259 LYS A O 1 ATOM 2011 C CB . LYS A 1 256 ? 28.187 3.902 65.610 1.00 50.71 ? 259 LYS A CB 1 ATOM 2012 C CG . LYS A 1 256 ? 29.042 3.916 64.363 1.00 56.78 ? 259 LYS A CG 1 ATOM 2013 C CD . LYS A 1 256 ? 30.507 4.146 64.714 1.00 61.93 ? 259 LYS A CD 1 ATOM 2014 C CE . LYS A 1 256 ? 31.037 3.101 65.689 1.00 67.08 ? 259 LYS A CE 1 ATOM 2015 N NZ . LYS A 1 256 ? 32.506 3.241 65.924 1.00 65.34 ? 259 LYS A NZ 1 ATOM 2016 N N . ILE A 1 257 ? 25.455 3.138 67.291 1.00 44.34 ? 260 ILE A N 1 ATOM 2017 C CA . ILE A 1 257 ? 24.674 3.302 68.513 1.00 42.64 ? 260 ILE A CA 1 ATOM 2018 C C . ILE A 1 257 ? 24.849 2.153 69.516 1.00 48.68 ? 260 ILE A C 1 ATOM 2019 O O . ILE A 1 257 ? 25.099 1.007 69.138 1.00 26.24 ? 260 ILE A O 1 ATOM 2020 C CB . ILE A 1 257 ? 23.176 3.537 68.183 1.00 35.36 ? 260 ILE A CB 1 ATOM 2021 C CG1 . ILE A 1 257 ? 22.487 4.329 69.293 1.00 36.72 ? 260 ILE A CG1 1 ATOM 2022 C CG2 . ILE A 1 257 ? 22.457 2.223 67.904 1.00 38.01 ? 260 ILE A CG2 1 ATOM 2023 C CD1 . ILE A 1 257 ? 21.029 4.585 69.019 1.00 42.65 ? 260 ILE A CD1 1 ATOM 2024 N N . SER A 1 258 ? 24.740 2.488 70.800 1.00 59.15 ? 261 SER A N 1 ATOM 2025 C CA . SER A 1 258 ? 24.809 1.515 71.887 1.00 50.26 ? 261 SER A CA 1 ATOM 2026 C C . SER A 1 258 ? 23.884 1.945 73.015 1.00 56.48 ? 261 SER A C 1 ATOM 2027 O O . SER A 1 258 ? 23.722 3.137 73.271 1.00 61.44 ? 261 SER A O 1 ATOM 2028 C CB . SER A 1 258 ? 26.236 1.397 72.427 1.00 43.29 ? 261 SER A CB 1 ATOM 2029 O OG . SER A 1 258 ? 27.094 0.763 71.495 1.00 54.27 ? 261 SER A OG 1 ATOM 2030 N N . LYS A 1 259 ? 23.274 0.978 73.691 1.00 65.40 ? 262 LYS A N 1 ATOM 2031 C CA . LYS A 1 259 ? 22.383 1.286 74.803 1.00 67.84 ? 262 LYS A CA 1 ATOM 2032 C C . LYS A 1 259 ? 22.570 0.324 75.969 1.00 79.80 ? 262 LYS A C 1 ATOM 2033 O O . LYS A 1 259 ? 22.540 -0.895 75.792 1.00 85.04 ? 262 LYS A O 1 ATOM 2034 C CB . LYS A 1 259 ? 20.917 1.258 74.357 1.00 55.69 ? 262 LYS A CB 1 ATOM 2035 C CG . LYS A 1 259 ? 20.558 2.247 73.259 1.00 39.71 ? 262 LYS A CG 1 ATOM 2036 C CD . LYS A 1 259 ? 19.061 2.483 73.209 1.00 39.49 ? 262 LYS A CD 1 ATOM 2037 C CE . LYS A 1 259 ? 18.563 3.060 74.527 1.00 58.82 ? 262 LYS A CE 1 ATOM 2038 N NZ . LYS A 1 259 ? 17.109 3.387 74.515 1.00 67.99 ? 262 LYS A NZ 1 ATOM 2039 N N . ARG A 1 260 ? 22.769 0.879 77.161 1.00 80.83 ? 263 ARG A N 1 ATOM 2040 C CA . ARG A 1 260 ? 22.732 0.089 78.387 1.00 72.47 ? 263 ARG A CA 1 ATOM 2041 C C . ARG A 1 260 ? 21.308 0.086 78.924 1.00 61.89 ? 263 ARG A C 1 ATOM 2042 O O . ARG A 1 260 ? 20.915 -0.801 79.681 1.00 66.79 ? 263 ARG A O 1 ATOM 2043 C CB . ARG A 1 260 ? 23.683 0.658 79.444 1.00 77.34 ? 263 ARG A CB 1 ATOM 2044 C CG . ARG A 1 260 ? 25.158 0.372 79.197 1.00 89.01 ? 263 ARG A CG 1 ATOM 2045 C CD . ARG A 1 260 ? 26.027 0.984 80.292 1.00 103.03 ? 263 ARG A CD 1 ATOM 2046 N NE . ARG A 1 260 ? 25.906 0.286 81.572 1.00 111.56 ? 263 ARG A NE 1 ATOM 2047 C CZ . ARG A 1 260 ? 26.777 -0.615 82.019 1.00 110.73 ? 263 ARG A CZ 1 ATOM 2048 N NH1 . ARG A 1 260 ? 27.839 -0.932 81.291 1.00 113.63 ? 263 ARG A NH1 1 ATOM 2049 N NH2 . ARG A 1 260 ? 26.589 -1.197 83.197 1.00 102.72 ? 263 ARG A NH2 1 ATOM 2050 N N . GLY A 1 261 A 20.540 1.090 78.518 1.00 53.58 ? 263 GLY A N 1 ATOM 2051 C CA . GLY A 1 261 A 19.177 1.264 78.982 1.00 52.06 ? 263 GLY A CA 1 ATOM 2052 C C . GLY A 1 261 A 18.570 2.503 78.356 1.00 58.27 ? 263 GLY A C 1 ATOM 2053 O O . GLY A 1 261 A 19.245 3.236 77.633 1.00 76.33 ? 263 GLY A O 1 ATOM 2054 N N . SER A 1 262 ? 17.296 2.747 78.636 1.00 51.17 ? 264 SER A N 1 ATOM 2055 C CA . SER A 1 262 ? 16.603 3.886 78.044 1.00 52.89 ? 264 SER A CA 1 ATOM 2056 C C . SER A 1 262 ? 16.431 5.018 79.050 1.00 52.99 ? 264 SER A C 1 ATOM 2057 O O . SER A 1 262 ? 16.758 4.869 80.226 1.00 51.71 ? 264 SER A O 1 ATOM 2058 C CB . SER A 1 262 ? 15.237 3.461 77.510 1.00 64.09 ? 264 SER A CB 1 ATOM 2059 O OG . SER A 1 262 ? 14.335 3.185 78.569 1.00 75.94 ? 264 SER A OG 1 ATOM 2060 N N . SER A 1 263 ? 15.901 6.144 78.583 1.00 51.39 ? 265 SER A N 1 ATOM 2061 C CA . SER A 1 263 ? 15.676 7.300 79.437 1.00 46.83 ? 265 SER A CA 1 ATOM 2062 C C . SER A 1 263 ? 14.456 8.090 78.985 1.00 38.11 ? 265 SER A C 1 ATOM 2063 O O . SER A 1 263 ? 13.468 7.514 78.535 1.00 47.84 ? 265 SER A O 1 ATOM 2064 C CB . SER A 1 263 ? 16.907 8.200 79.421 1.00 56.65 ? 265 SER A CB 1 ATOM 2065 O OG . SER A 1 263 ? 16.699 9.377 80.180 1.00 57.23 ? 265 SER A OG 1 ATOM 2066 N N . GLY A 1 264 ? 14.530 9.411 79.102 1.00 27.00 ? 266 GLY A N 1 ATOM 2067 C CA . GLY A 1 264 ? 13.413 10.265 78.741 1.00 32.85 ? 266 GLY A CA 1 ATOM 2068 C C . GLY A 1 264 ? 13.830 11.603 78.163 1.00 33.49 ? 266 GLY A C 1 ATOM 2069 O O . GLY A 1 264 ? 15.017 11.870 77.982 1.00 27.36 ? 266 GLY A O 1 ATOM 2070 N N . ILE A 1 265 ? 12.845 12.439 77.850 1.00 41.37 ? 267 ILE A N 1 ATOM 2071 C CA . ILE A 1 265 ? 13.106 13.751 77.271 1.00 38.59 ? 267 ILE A CA 1 ATOM 2072 C C . ILE A 1 265 ? 12.434 14.844 78.092 1.00 44.53 ? 267 ILE A C 1 ATOM 2073 O O . ILE A 1 265 ? 11.237 14.789 78.366 1.00 60.85 ? 267 ILE A O 1 ATOM 2074 C CB . ILE A 1 265 ? 12.634 13.828 75.805 1.00 40.55 ? 267 ILE A CB 1 ATOM 2075 C CG1 . ILE A 1 265 ? 13.444 12.858 74.943 1.00 45.08 ? 267 ILE A CG1 1 ATOM 2076 C CG2 . ILE A 1 265 ? 12.756 15.247 75.282 1.00 36.82 ? 267 ILE A CG2 1 ATOM 2077 C CD1 . ILE A 1 265 ? 12.905 12.693 73.538 1.00 46.92 ? 267 ILE A CD1 1 ATOM 2078 N N . MET A 1 266 ? 13.222 15.837 78.482 1.00 44.02 ? 268 MET A N 1 ATOM 2079 C CA . MET A 1 266 ? 12.782 16.846 79.432 1.00 49.74 ? 268 MET A CA 1 ATOM 2080 C C . MET A 1 266 ? 12.726 18.235 78.803 1.00 65.60 ? 268 MET A C 1 ATOM 2081 O O . MET A 1 266 ? 13.655 18.649 78.114 1.00 80.84 ? 268 MET A O 1 ATOM 2082 C CB . MET A 1 266 ? 13.726 16.843 80.636 1.00 43.03 ? 268 MET A CB 1 ATOM 2083 C CG . MET A 1 266 ? 13.366 17.820 81.731 1.00 43.03 ? 268 MET A CG 1 ATOM 2084 S SD . MET A 1 266 ? 14.350 17.538 83.216 1.00 70.05 ? 268 MET A SD 1 ATOM 2085 C CE . MET A 1 266 ? 13.778 15.913 83.700 1.00 121.97 ? 268 MET A CE 1 ATOM 2086 N N . LYS A 1 267 ? 11.633 18.954 79.041 1.00 59.78 ? 269 LYS A N 1 ATOM 2087 C CA . LYS A 1 267 ? 11.492 20.317 78.532 1.00 62.33 ? 269 LYS A CA 1 ATOM 2088 C C . LYS A 1 267 ? 11.713 21.308 79.676 1.00 70.43 ? 269 LYS A C 1 ATOM 2089 O O . LYS A 1 267 ? 11.006 21.268 80.680 1.00 73.60 ? 269 LYS A O 1 ATOM 2090 C CB . LYS A 1 267 ? 10.106 20.514 77.920 1.00 60.63 ? 269 LYS A CB 1 ATOM 2091 C CG . LYS A 1 267 ? 9.711 19.435 76.923 1.00 66.57 ? 269 LYS A CG 1 ATOM 2092 C CD . LYS A 1 267 ? 8.330 19.696 76.347 1.00 77.51 ? 269 LYS A CD 1 ATOM 2093 C CE . LYS A 1 267 ? 7.838 18.499 75.547 1.00 81.79 ? 269 LYS A CE 1 ATOM 2094 N NZ . LYS A 1 267 ? 6.478 18.738 74.986 1.00 85.25 ? 269 LYS A NZ 1 ATOM 2095 N N . THR A 1 268 ? 12.695 22.194 79.522 1.00 85.11 ? 270 THR A N 1 ATOM 2096 C CA . THR A 1 268 ? 13.104 23.088 80.601 1.00 98.62 ? 270 THR A CA 1 ATOM 2097 C C . THR A 1 268 ? 13.224 24.540 80.159 1.00 112.94 ? 270 THR A C 1 ATOM 2098 O O . THR A 1 268 ? 12.761 25.440 80.863 1.00 117.79 ? 270 THR A O 1 ATOM 2099 C CB . THR A 1 268 ? 14.435 22.653 81.200 1.00 104.55 ? 270 THR A CB 1 ATOM 2100 O OG1 . THR A 1 268 ? 14.280 21.408 81.894 1.00 102.13 ? 270 THR A OG1 1 ATOM 2101 C CG2 . THR A 1 268 ? 14.960 23.700 82.171 1.00 111.24 ? 270 THR A CG2 1 ATOM 2102 N N . GLU A 1 269 ? 13.863 24.748 79.009 1.00 125.32 ? 271 GLU A N 1 ATOM 2103 C CA . GLU A 1 269 ? 14.154 26.078 78.475 1.00 131.25 ? 271 GLU A CA 1 ATOM 2104 C C . GLU A 1 269 ? 15.204 26.806 79.320 1.00 131.17 ? 271 GLU A C 1 ATOM 2105 O O . GLU A 1 269 ? 14.908 27.808 79.971 1.00 131.02 ? 271 GLU A O 1 ATOM 2106 C CB . GLU A 1 269 ? 12.874 26.921 78.315 1.00 132.68 ? 271 GLU A CB 1 ATOM 2107 C CG . GLU A 1 269 ? 13.049 28.260 77.624 1.00 135.71 ? 271 GLU A CG 1 ATOM 2108 C CD . GLU A 1 269 ? 11.747 28.800 77.076 1.00 136.83 ? 271 GLU A CD 1 ATOM 2109 O OE1 . GLU A 1 269 ? 10.702 28.143 77.271 1.00 135.96 ? 271 GLU A OE1 1 ATOM 2110 O OE2 . GLU A 1 269 ? 11.776 29.878 76.445 1.00 137.53 ? 271 GLU A OE2 1 ATOM 2111 N N . GLY A 1 270 ? 16.432 26.297 79.330 1.00 118.94 ? 272 GLY A N 1 ATOM 2112 C CA . GLY A 1 270 ? 17.486 27.007 80.027 1.00 118.83 ? 272 GLY A CA 1 ATOM 2113 C C . GLY A 1 270 ? 18.527 26.273 80.851 1.00 116.26 ? 272 GLY A C 1 ATOM 2114 O O . GLY A 1 270 ? 18.218 25.441 81.709 1.00 107.20 ? 272 GLY A O 1 ATOM 2115 N N . THR A 1 271 ? 19.780 26.612 80.561 1.00 145.89 ? 273 THR A N 1 ATOM 2116 C CA . THR A 1 271 ? 20.922 26.409 81.459 1.00 145.79 ? 273 THR A CA 1 ATOM 2117 C C . THR A 1 271 ? 21.207 25.008 82.002 1.00 134.76 ? 273 THR A C 1 ATOM 2118 O O . THR A 1 271 ? 20.655 24.601 83.024 1.00 143.56 ? 273 THR A O 1 ATOM 2119 C CB . THR A 1 271 ? 20.861 27.364 82.672 1.00 150.61 ? 273 THR A CB 1 ATOM 2120 O OG1 . THR A 1 271 ? 19.784 26.983 83.539 1.00 153.03 ? 273 THR A OG1 1 ATOM 2121 C CG2 . THR A 1 271 ? 20.666 28.803 82.209 1.00 144.57 ? 273 THR A CG2 1 ATOM 2122 N N . LEU A 1 272 ? 22.105 24.292 81.336 1.00 86.42 ? 274 LEU A N 1 ATOM 2123 C CA . LEU A 1 272 ? 22.706 23.100 81.920 1.00 73.08 ? 274 LEU A CA 1 ATOM 2124 C C . LEU A 1 272 ? 23.906 23.530 82.753 1.00 79.73 ? 274 LEU A C 1 ATOM 2125 O O . LEU A 1 272 ? 24.792 24.232 82.266 1.00 92.74 ? 274 LEU A O 1 ATOM 2126 C CB . LEU A 1 272 ? 23.137 22.117 80.828 1.00 59.12 ? 274 LEU A CB 1 ATOM 2127 C CG . LEU A 1 272 ? 24.159 21.044 81.236 1.00 44.32 ? 274 LEU A CG 1 ATOM 2128 C CD1 . LEU A 1 272 ? 23.607 20.093 82.282 1.00 43.08 ? 274 LEU A CD1 1 ATOM 2129 C CD2 . LEU A 1 272 ? 24.615 20.265 80.022 1.00 39.90 ? 274 LEU A CD2 1 ATOM 2130 N N . GLU A 1 273 ? 23.924 23.113 84.014 1.00 81.56 ? 275 GLU A N 1 ATOM 2131 C CA . GLU A 1 273 ? 24.975 23.516 84.939 1.00 86.01 ? 275 GLU A CA 1 ATOM 2132 C C . GLU A 1 273 ? 25.779 22.309 85.411 1.00 86.75 ? 275 GLU A C 1 ATOM 2133 O O . GLU A 1 273 ? 25.292 21.181 85.386 1.00 92.88 ? 275 GLU A O 1 ATOM 2134 C CB . GLU A 1 273 ? 24.366 24.259 86.128 1.00 92.53 ? 275 GLU A CB 1 ATOM 2135 C CG . GLU A 1 273 ? 22.957 24.759 85.853 1.00 105.70 ? 275 GLU A CG 1 ATOM 2136 C CD . GLU A 1 273 ? 22.623 26.033 86.600 1.00 114.77 ? 275 GLU A CD 1 ATOM 2137 O OE1 . GLU A 1 273 ? 23.433 26.463 87.450 1.00 110.16 ? 275 GLU A OE1 1 ATOM 2138 O OE2 . GLU A 1 273 ? 21.546 26.606 86.330 1.00 121.72 ? 275 GLU A OE2 1 ATOM 2139 N N . ASN A 1 274 ? 27.015 22.552 85.835 1.00 91.71 ? 276 ASN A N 1 ATOM 2140 C CA . ASN A 1 274 ? 27.902 21.476 86.268 1.00 96.36 ? 276 ASN A CA 1 ATOM 2141 C C . ASN A 1 274 ? 27.604 20.967 87.678 1.00 102.43 ? 276 ASN A C 1 ATOM 2142 O O . ASN A 1 274 ? 27.935 21.623 88.666 1.00 108.64 ? 276 ASN A O 1 ATOM 2143 C CB . ASN A 1 274 ? 29.365 21.918 86.171 1.00 90.86 ? 276 ASN A CB 1 ATOM 2144 C CG . ASN A 1 274 ? 30.329 20.857 86.672 1.00 91.25 ? 276 ASN A CG 1 ATOM 2145 O OD1 . ASN A 1 274 ? 30.634 20.791 87.864 1.00 93.02 ? 276 ASN A OD1 1 ATOM 2146 N ND2 . ASN A 1 274 ? 30.812 20.018 85.762 1.00 91.92 ? 276 ASN A ND2 1 ATOM 2147 N N . CYS A 1 275 ? 26.986 19.791 87.756 1.00 98.38 ? 277 CYS A N 1 ATOM 2148 C CA . CYS A 1 275 ? 26.703 19.134 89.030 1.00 92.59 ? 277 CYS A CA 1 ATOM 2149 C C . CYS A 1 275 ? 26.268 17.695 88.783 1.00 89.04 ? 277 CYS A C 1 ATOM 2150 O O . CYS A 1 275 ? 25.995 17.315 87.651 1.00 93.77 ? 277 CYS A O 1 ATOM 2151 C CB . CYS A 1 275 ? 25.626 19.890 89.816 1.00 84.35 ? 277 CYS A CB 1 ATOM 2152 S SG . CYS A 1 275 ? 24.260 20.525 88.823 1.00 162.27 ? 277 CYS A SG 1 ATOM 2153 N N . GLU A 1 276 ? 26.204 16.897 89.842 1.00 76.89 ? 278 GLU A N 1 ATOM 2154 C CA . GLU A 1 276 ? 25.778 15.508 89.724 1.00 69.94 ? 278 GLU A CA 1 ATOM 2155 C C . GLU A 1 276 ? 24.508 15.263 90.532 1.00 65.93 ? 278 GLU A C 1 ATOM 2156 O O . GLU A 1 276 ? 24.406 15.679 91.686 1.00 72.53 ? 278 GLU A O 1 ATOM 2157 C CB . GLU A 1 276 ? 26.902 14.565 90.174 1.00 76.42 ? 278 GLU A CB 1 ATOM 2158 C CG . GLU A 1 276 ? 26.440 13.283 90.865 1.00 91.77 ? 278 GLU A CG 1 ATOM 2159 C CD . GLU A 1 276 ? 25.907 12.239 89.900 1.00 100.52 ? 278 GLU A CD 1 ATOM 2160 O OE1 . GLU A 1 276 ? 26.049 12.427 88.673 1.00 104.70 ? 278 GLU A OE1 1 ATOM 2161 O OE2 . GLU A 1 276 ? 25.346 11.227 90.375 1.00 96.83 ? 278 GLU A OE2 1 ATOM 2162 N N . THR A 1 277 ? 23.534 14.603 89.916 1.00 48.63 ? 279 THR A N 1 ATOM 2163 C CA . THR A 1 277 ? 22.315 14.230 90.620 1.00 45.15 ? 279 THR A CA 1 ATOM 2164 C C . THR A 1 277 ? 21.847 12.846 90.189 1.00 44.75 ? 279 THR A C 1 ATOM 2165 O O . THR A 1 277 ? 22.102 12.423 89.064 1.00 51.43 ? 279 THR A O 1 ATOM 2166 C CB . THR A 1 277 ? 21.189 15.263 90.409 1.00 50.75 ? 279 THR A CB 1 ATOM 2167 O OG1 . THR A 1 277 ? 20.058 14.915 91.218 1.00 62.78 ? 279 THR A OG1 1 ATOM 2168 C CG2 . THR A 1 277 ? 20.767 15.319 88.951 1.00 40.27 ? 279 THR A CG2 1 ATOM 2169 N N . LYS A 1 278 ? 21.184 12.135 91.095 1.00 49.38 ? 280 LYS A N 1 ATOM 2170 C CA . LYS A 1 278 ? 20.656 10.813 90.780 1.00 52.72 ? 280 LYS A CA 1 ATOM 2171 C C . LYS A 1 278 ? 19.221 10.930 90.288 1.00 56.18 ? 280 LYS A C 1 ATOM 2172 O O . LYS A 1 278 ? 18.722 10.056 89.579 1.00 56.34 ? 280 LYS A O 1 ATOM 2173 C CB . LYS A 1 278 ? 20.723 9.886 91.995 1.00 58.90 ? 280 LYS A CB 1 ATOM 2174 C CG . LYS A 1 278 ? 22.134 9.480 92.398 1.00 64.98 ? 280 LYS A CG 1 ATOM 2175 C CD . LYS A 1 278 ? 22.103 8.383 93.449 1.00 64.27 ? 280 LYS A CD 1 ATOM 2176 C CE . LYS A 1 278 ? 23.282 8.491 94.400 1.00 67.17 ? 280 LYS A CE 1 ATOM 2177 N NZ . LYS A 1 278 ? 23.181 7.506 95.513 1.00 65.08 ? 280 LYS A NZ 1 ATOM 2178 N N . CYS A 1 279 ? 18.561 12.017 90.673 1.00 58.70 ? 281 CYS A N 1 ATOM 2179 C CA . CYS A 1 279 ? 17.209 12.288 90.207 1.00 55.62 ? 281 CYS A CA 1 ATOM 2180 C C . CYS A 1 279 ? 17.098 13.708 89.662 1.00 61.66 ? 281 CYS A C 1 ATOM 2181 O O . CYS A 1 279 ? 17.546 14.665 90.294 1.00 72.54 ? 281 CYS A O 1 ATOM 2182 C CB . CYS A 1 279 ? 16.186 12.067 91.322 1.00 53.08 ? 281 CYS A CB 1 ATOM 2183 S SG . CYS A 1 279 ? 14.486 12.260 90.758 1.00 67.90 ? 281 CYS A SG 1 ATOM 2184 N N . GLN A 1 280 ? 16.498 13.834 88.484 1.00 47.36 ? 282 GLN A N 1 ATOM 2185 C CA . GLN A 1 280 ? 16.377 15.122 87.815 1.00 32.79 ? 282 GLN A CA 1 ATOM 2186 C C . GLN A 1 280 ? 14.921 15.447 87.500 1.00 30.21 ? 282 GLN A C 1 ATOM 2187 O O . GLN A 1 280 ? 14.184 14.596 87.002 1.00 33.18 ? 282 GLN A O 1 ATOM 2188 C CB . GLN A 1 280 ? 17.198 15.116 86.524 1.00 35.11 ? 282 GLN A CB 1 ATOM 2189 C CG . GLN A 1 280 ? 17.097 16.391 85.701 1.00 49.82 ? 282 GLN A CG 1 ATOM 2190 C CD . GLN A 1 280 ? 17.783 17.566 86.363 1.00 60.72 ? 282 GLN A CD 1 ATOM 2191 O OE1 . GLN A 1 280 ? 19.011 17.646 86.397 1.00 58.21 ? 282 GLN A OE1 1 ATOM 2192 N NE2 . GLN A 1 280 ? 16.990 18.483 86.901 1.00 68.89 ? 282 GLN A NE2 1 ATOM 2193 N N . THR A 1 281 ? 14.509 16.677 87.797 1.00 38.66 ? 283 THR A N 1 ATOM 2194 C CA . THR A 1 281 ? 13.165 17.142 87.457 1.00 41.35 ? 283 THR A CA 1 ATOM 2195 C C . THR A 1 281 ? 13.261 18.438 86.651 1.00 38.58 ? 283 THR A C 1 ATOM 2196 O O . THR A 1 281 ? 14.291 19.109 86.687 1.00 44.44 ? 283 THR A O 1 ATOM 2197 C CB . THR A 1 281 ? 12.299 17.376 88.716 1.00 40.05 ? 283 THR A CB 1 ATOM 2198 O OG1 . THR A 1 281 ? 12.097 18.781 88.913 1.00 42.62 ? 283 THR A OG1 1 ATOM 2199 C CG2 . THR A 1 281 ? 12.955 16.774 89.953 1.00 34.48 ? 283 THR A CG2 1 ATOM 2200 N N . PRO A 1 282 ? 12.199 18.786 85.904 1.00 41.21 ? 284 PRO A N 1 ATOM 2201 C CA . PRO A 1 282 ? 12.157 20.060 85.175 1.00 50.16 ? 284 PRO A CA 1 ATOM 2202 C C . PRO A 1 282 ? 12.383 21.279 86.067 1.00 50.97 ? 284 PRO A C 1 ATOM 2203 O O . PRO A 1 282 ? 12.925 22.281 85.601 1.00 66.16 ? 284 PRO A O 1 ATOM 2204 C CB . PRO A 1 282 ? 10.738 20.077 84.607 1.00 51.64 ? 284 PRO A CB 1 ATOM 2205 C CG . PRO A 1 282 ? 10.439 18.649 84.366 1.00 45.86 ? 284 PRO A CG 1 ATOM 2206 C CD . PRO A 1 282 ? 11.104 17.891 85.489 1.00 40.15 ? 284 PRO A CD 1 ATOM 2207 N N . LEU A 1 283 ? 11.977 21.188 87.329 1.00 37.37 ? 285 LEU A N 1 ATOM 2208 C CA . LEU A 1 283 ? 12.137 22.300 88.261 1.00 43.99 ? 285 LEU A CA 1 ATOM 2209 C C . LEU A 1 283 ? 13.474 22.279 89.002 1.00 52.10 ? 285 LEU A C 1 ATOM 2210 O O . LEU A 1 283 ? 13.776 23.200 89.762 1.00 73.11 ? 285 LEU A O 1 ATOM 2211 C CB . LEU A 1 283 ? 10.989 22.341 89.271 1.00 42.65 ? 285 LEU A CB 1 ATOM 2212 C CG . LEU A 1 283 ? 9.748 23.136 88.877 1.00 48.14 ? 285 LEU A CG 1 ATOM 2213 C CD1 . LEU A 1 283 ? 8.760 22.263 88.121 1.00 54.88 ? 285 LEU A CD1 1 ATOM 2214 C CD2 . LEU A 1 283 ? 9.100 23.761 90.107 1.00 51.71 ? 285 LEU A CD2 1 ATOM 2215 N N . GLY A 1 284 ? 14.265 21.229 88.795 1.00 33.22 ? 286 GLY A N 1 ATOM 2216 C CA . GLY A 1 284 ? 15.564 21.126 89.440 1.00 37.85 ? 286 GLY A CA 1 ATOM 2217 C C . GLY A 1 284 ? 16.001 19.709 89.765 1.00 37.67 ? 286 GLY A C 1 ATOM 2218 O O . GLY A 1 284 ? 15.429 18.743 89.265 1.00 45.80 ? 286 GLY A O 1 ATOM 2219 N N . ALA A 1 285 ? 17.028 19.590 90.603 1.00 36.56 ? 287 ALA A N 1 ATOM 2220 C CA . ALA A 1 285 ? 17.509 18.290 91.064 1.00 35.64 ? 287 ALA A CA 1 ATOM 2221 C C . ALA A 1 285 ? 17.051 18.043 92.497 1.00 43.05 ? 287 ALA A C 1 ATOM 2222 O O . ALA A 1 285 ? 16.571 18.961 93.160 1.00 56.19 ? 287 ALA A O 1 ATOM 2223 C CB . ALA A 1 285 ? 19.029 18.224 90.974 1.00 38.39 ? 287 ALA A CB 1 ATOM 2224 N N . ILE A 1 286 ? 17.196 16.808 92.969 1.00 38.86 ? 288 ILE A N 1 ATOM 2225 C CA . ILE A 1 286 ? 16.791 16.455 94.330 1.00 49.23 ? 288 ILE A CA 1 ATOM 2226 C C . ILE A 1 286 ? 17.761 15.486 95.016 1.00 73.04 ? 288 ILE A C 1 ATOM 2227 O O . ILE A 1 286 ? 18.461 14.713 94.358 1.00 71.82 ? 288 ILE A O 1 ATOM 2228 C CB . ILE A 1 286 ? 15.359 15.891 94.371 1.00 38.17 ? 288 ILE A CB 1 ATOM 2229 C CG1 . ILE A 1 286 ? 15.065 15.086 93.108 1.00 55.34 ? 288 ILE A CG1 1 ATOM 2230 C CG2 . ILE A 1 286 ? 14.343 17.014 94.505 1.00 28.13 ? 288 ILE A CG2 1 ATOM 2231 C CD1 . ILE A 1 286 ? 13.601 14.736 92.957 1.00 65.37 ? 288 ILE A CD1 1 ATOM 2232 N N . ASN A 1 287 ? 17.782 15.538 96.346 1.00 100.06 ? 289 ASN A N 1 ATOM 2233 C CA . ASN A 1 287 ? 18.794 14.855 97.153 1.00 106.72 ? 289 ASN A CA 1 ATOM 2234 C C . ASN A 1 287 ? 18.622 13.334 97.241 1.00 109.43 ? 289 ASN A C 1 ATOM 2235 O O . ASN A 1 287 ? 19.523 12.636 97.703 1.00 118.58 ? 289 ASN A O 1 ATOM 2236 C CB . ASN A 1 287 ? 18.837 15.461 98.562 1.00 107.36 ? 289 ASN A CB 1 ATOM 2237 C CG . ASN A 1 287 ? 20.197 15.317 99.226 1.00 107.19 ? 289 ASN A CG 1 ATOM 2238 O OD1 . ASN A 1 287 ? 20.465 15.943 100.253 1.00 98.69 ? 289 ASN A OD1 1 ATOM 2239 N ND2 . ASN A 1 287 ? 21.066 14.502 98.638 1.00 112.29 ? 289 ASN A ND2 1 ATOM 2240 N N . THR A 1 288 ? 17.455 12.840 96.824 1.00 83.40 ? 290 THR A N 1 ATOM 2241 C CA . THR A 1 288 ? 17.147 11.399 96.724 1.00 74.71 ? 290 THR A CA 1 ATOM 2242 C C . THR A 1 288 ? 17.178 10.578 98.031 1.00 67.64 ? 290 THR A C 1 ATOM 2243 O O . THR A 1 288 ? 16.807 9.400 98.040 1.00 67.49 ? 290 THR A O 1 ATOM 2244 C CB . THR A 1 288 ? 17.969 10.690 95.597 1.00 71.20 ? 290 THR A CB 1 ATOM 2245 O OG1 . THR A 1 288 ? 17.135 9.749 94.908 1.00 68.26 ? 290 THR A OG1 1 ATOM 2246 C CG2 . THR A 1 288 ? 19.199 9.970 96.149 1.00 68.79 ? 290 THR A CG2 1 ATOM 2247 N N . THR A 1 289 ? 17.580 11.211 99.130 1.00 61.57 ? 291 THR A N 1 ATOM 2248 C CA . THR A 1 289 ? 17.728 10.528 100.415 1.00 54.12 ? 291 THR A CA 1 ATOM 2249 C C . THR A 1 289 ? 16.404 10.050 101.015 1.00 53.51 ? 291 THR A C 1 ATOM 2250 O O . THR A 1 289 ? 16.318 8.945 101.551 1.00 56.68 ? 291 THR A O 1 ATOM 2251 C CB . THR A 1 289 ? 18.422 11.436 101.447 1.00 55.20 ? 291 THR A CB 1 ATOM 2252 O OG1 . THR A 1 289 ? 19.508 12.132 100.825 1.00 68.23 ? 291 THR A OG1 1 ATOM 2253 C CG2 . THR A 1 289 ? 18.943 10.620 102.622 1.00 46.39 ? 291 THR A CG2 1 ATOM 2254 N N . LEU A 1 290 ? 15.379 10.893 100.937 1.00 44.29 ? 292 LEU A N 1 ATOM 2255 C CA . LEU A 1 290 ? 14.078 10.592 101.533 1.00 31.46 ? 292 LEU A CA 1 ATOM 2256 C C . LEU A 1 290 ? 13.199 9.764 100.590 1.00 39.61 ? 292 LEU A C 1 ATOM 2257 O O . LEU A 1 290 ? 13.403 9.777 99.378 1.00 49.85 ? 292 LEU A O 1 ATOM 2258 C CB . LEU A 1 290 ? 13.371 11.894 101.917 1.00 30.72 ? 292 LEU A CB 1 ATOM 2259 C CG . LEU A 1 290 ? 14.197 12.869 102.761 1.00 32.75 ? 292 LEU A CG 1 ATOM 2260 C CD1 . LEU A 1 290 ? 13.368 14.088 103.145 1.00 26.77 ? 292 LEU A CD1 1 ATOM 2261 C CD2 . LEU A 1 290 ? 14.762 12.183 103.996 1.00 34.46 ? 292 LEU A CD2 1 ATOM 2262 N N . PRO A 1 291 ? 12.219 9.031 101.144 1.00 43.46 ? 293 PRO A N 1 ATOM 2263 C CA . PRO A 1 291 ? 11.365 8.177 100.308 1.00 41.81 ? 293 PRO A CA 1 ATOM 2264 C C . PRO A 1 291 ? 10.294 8.911 99.497 1.00 40.45 ? 293 PRO A C 1 ATOM 2265 O O . PRO A 1 291 ? 9.748 8.319 98.565 1.00 44.15 ? 293 PRO A O 1 ATOM 2266 C CB . PRO A 1 291 ? 10.695 7.251 101.327 1.00 41.73 ? 293 PRO A CB 1 ATOM 2267 C CG . PRO A 1 291 ? 10.702 8.023 102.594 1.00 46.49 ? 293 PRO A CG 1 ATOM 2268 C CD . PRO A 1 291 ? 11.993 8.793 102.580 1.00 49.26 ? 293 PRO A CD 1 ATOM 2269 N N . PHE A 1 292 ? 9.989 10.160 99.836 1.00 33.48 ? 294 PHE A N 1 ATOM 2270 C CA . PHE A 1 292 ? 8.910 10.868 99.148 1.00 29.89 ? 294 PHE A CA 1 ATOM 2271 C C . PHE A 1 292 ? 9.296 12.279 98.710 1.00 32.65 ? 294 PHE A C 1 ATOM 2272 O O . PHE A 1 292 ? 10.099 12.946 99.366 1.00 38.31 ? 294 PHE A O 1 ATOM 2273 C CB . PHE A 1 292 ? 7.654 10.924 100.025 1.00 29.23 ? 294 PHE A CB 1 ATOM 2274 C CG . PHE A 1 292 ? 7.210 9.583 100.542 1.00 29.46 ? 294 PHE A CG 1 ATOM 2275 C CD1 . PHE A 1 292 ? 6.646 8.648 99.691 1.00 22.80 ? 294 PHE A CD1 1 ATOM 2276 C CD2 . PHE A 1 292 ? 7.346 9.264 101.885 1.00 30.03 ? 294 PHE A CD2 1 ATOM 2277 C CE1 . PHE A 1 292 ? 6.235 7.417 100.165 1.00 22.51 ? 294 PHE A CE1 1 ATOM 2278 C CE2 . PHE A 1 292 ? 6.936 8.034 102.366 1.00 26.16 ? 294 PHE A CE2 1 ATOM 2279 C CZ . PHE A 1 292 ? 6.381 7.109 101.504 1.00 23.51 ? 294 PHE A CZ 1 ATOM 2280 N N . HIS A 1 293 ? 8.712 12.724 97.600 1.00 29.52 ? 295 HIS A N 1 ATOM 2281 C CA . HIS A 1 293 ? 8.900 14.085 97.111 1.00 27.43 ? 295 HIS A CA 1 ATOM 2282 C C . HIS A 1 293 ? 7.600 14.593 96.501 1.00 35.73 ? 295 HIS A C 1 ATOM 2283 O O . HIS A 1 293 ? 6.766 13.801 96.060 1.00 26.46 ? 295 HIS A O 1 ATOM 2284 C CB . HIS A 1 293 ? 10.024 14.148 96.076 1.00 26.55 ? 295 HIS A CB 1 ATOM 2285 C CG . HIS A 1 293 ? 9.615 13.705 94.711 1.00 34.04 ? 295 HIS A CG 1 ATOM 2286 N ND1 . HIS A 1 293 ? 9.044 14.558 93.785 1.00 30.67 ? 295 HIS A ND1 1 ATOM 2287 C CD2 . HIS A 1 293 ? 9.697 12.499 94.101 1.00 44.61 ? 295 HIS A CD2 1 ATOM 2288 C CE1 . HIS A 1 293 ? 8.795 13.898 92.675 1.00 31.06 ? 295 HIS A CE1 1 ATOM 2289 N NE2 . HIS A 1 293 ? 9.181 12.642 92.837 1.00 42.24 ? 295 HIS A NE2 1 ATOM 2290 N N . ASN A 1 294 ? 7.430 15.912 96.476 1.00 40.50 ? 296 ASN A N 1 ATOM 2291 C CA . ASN A 1 294 ? 6.232 16.519 95.898 1.00 39.32 ? 296 ASN A CA 1 ATOM 2292 C C . ASN A 1 294 ? 6.592 17.558 94.851 1.00 39.57 ? 296 ASN A C 1 ATOM 2293 O O . ASN A 1 294 ? 5.764 18.391 94.481 1.00 51.46 ? 296 ASN A O 1 ATOM 2294 C CB . ASN A 1 294 ? 5.375 17.159 96.992 1.00 34.21 ? 296 ASN A CB 1 ATOM 2295 C CG . ASN A 1 294 ? 6.102 18.283 97.705 1.00 58.01 ? 296 ASN A CG 1 ATOM 2296 O OD1 . ASN A 1 294 ? 7.335 18.361 97.669 1.00 67.30 ? 296 ASN A OD1 1 ATOM 2297 N ND2 . ASN A 1 294 ? 5.349 19.154 98.361 1.00 70.69 ? 296 ASN A ND2 1 ATOM 2298 N N . VAL A 1 295 ? 7.835 17.502 94.385 1.00 30.99 ? 297 VAL A N 1 ATOM 2299 C CA . VAL A 1 295 ? 8.363 18.505 93.472 1.00 37.43 ? 297 VAL A CA 1 ATOM 2300 C C . VAL A 1 295 ? 7.673 18.490 92.113 1.00 40.66 ? 297 VAL A C 1 ATOM 2301 O O . VAL A 1 295 ? 6.918 19.404 91.788 1.00 41.23 ? 297 VAL A O 1 ATOM 2302 C CB . VAL A 1 295 ? 9.884 18.331 93.264 1.00 34.22 ? 297 VAL A CB 1 ATOM 2303 C CG1 . VAL A 1 295 ? 10.435 19.472 92.429 1.00 24.07 ? 297 VAL A CG1 1 ATOM 2304 C CG2 . VAL A 1 295 ? 10.587 18.258 94.610 1.00 42.67 ? 297 VAL A CG2 1 ATOM 2305 N N . HIS A 1 296 ? 7.922 17.448 91.325 1.00 44.95 ? 298 HIS A N 1 ATOM 2306 C CA . HIS A 1 296 ? 7.380 17.385 89.974 1.00 42.05 ? 298 HIS A CA 1 ATOM 2307 C C . HIS A 1 296 ? 7.136 15.951 89.510 1.00 40.90 ? 298 HIS A C 1 ATOM 2308 O O . HIS A 1 296 ? 7.982 15.076 89.699 1.00 50.64 ? 298 HIS A O 1 ATOM 2309 C CB . HIS A 1 296 ? 8.319 18.102 89.002 1.00 44.13 ? 298 HIS A CB 1 ATOM 2310 C CG . HIS A 1 296 ? 7.641 18.602 87.767 1.00 51.58 ? 298 HIS A CG 1 ATOM 2311 N ND1 . HIS A 1 296 ? 7.912 18.099 86.512 1.00 54.24 ? 298 HIS A ND1 1 ATOM 2312 C CD2 . HIS A 1 296 ? 6.694 19.555 87.592 1.00 62.99 ? 298 HIS A CD2 1 ATOM 2313 C CE1 . HIS A 1 296 ? 7.165 18.722 85.620 1.00 63.71 ? 298 HIS A CE1 1 ATOM 2314 N NE2 . HIS A 1 296 ? 6.417 19.610 86.248 1.00 66.93 ? 298 HIS A NE2 1 ATOM 2315 N N . PRO A 1 297 ? 5.972 15.712 88.885 1.00 32.72 ? 299 PRO A N 1 ATOM 2316 C CA . PRO A 1 297 ? 5.571 14.390 88.390 1.00 30.28 ? 299 PRO A CA 1 ATOM 2317 C C . PRO A 1 297 ? 6.517 13.853 87.319 1.00 39.88 ? 299 PRO A C 1 ATOM 2318 O O . PRO A 1 297 ? 6.916 12.689 87.379 1.00 47.16 ? 299 PRO A O 1 ATOM 2319 C CB . PRO A 1 297 ? 4.190 14.651 87.774 1.00 36.54 ? 299 PRO A CB 1 ATOM 2320 C CG . PRO A 1 297 ? 3.703 15.900 88.434 1.00 35.29 ? 299 PRO A CG 1 ATOM 2321 C CD . PRO A 1 297 ? 4.930 16.725 88.646 1.00 33.79 ? 299 PRO A CD 1 ATOM 2322 N N . LEU A 1 298 ? 6.856 14.693 86.345 1.00 49.48 ? 300 LEU A N 1 ATOM 2323 C CA . LEU A 1 298 ? 7.793 14.310 85.295 1.00 44.39 ? 300 LEU A CA 1 ATOM 2324 C C . LEU A 1 298 ? 9.191 14.249 85.886 1.00 47.26 ? 300 LEU A C 1 ATOM 2325 O O . LEU A 1 298 ? 9.692 15.233 86.421 1.00 63.73 ? 300 LEU A O 1 ATOM 2326 C CB . LEU A 1 298 ? 7.738 15.301 84.131 1.00 34.01 ? 300 LEU A CB 1 ATOM 2327 C CG . LEU A 1 298 ? 6.356 15.466 83.489 1.00 40.78 ? 300 LEU A CG 1 ATOM 2328 C CD1 . LEU A 1 298 ? 6.437 16.277 82.204 1.00 48.43 ? 300 LEU A CD1 1 ATOM 2329 C CD2 . LEU A 1 298 ? 5.720 14.106 83.232 1.00 44.31 ? 300 LEU A CD2 1 ATOM 2330 N N . THR A 1 299 ? 9.822 13.086 85.791 1.00 31.92 ? 301 THR A N 1 ATOM 2331 C CA . THR A 1 299 ? 11.048 12.844 86.532 1.00 31.98 ? 301 THR A CA 1 ATOM 2332 C C . THR A 1 299 ? 11.942 11.834 85.809 1.00 42.65 ? 301 THR A C 1 ATOM 2333 O O . THR A 1 299 ? 11.452 10.951 85.100 1.00 59.21 ? 301 THR A O 1 ATOM 2334 C CB . THR A 1 299 ? 10.713 12.377 87.980 1.00 37.14 ? 301 THR A CB 1 ATOM 2335 O OG1 . THR A 1 299 ? 11.443 13.161 88.929 1.00 42.74 ? 301 THR A OG1 1 ATOM 2336 C CG2 . THR A 1 299 ? 11.019 10.897 88.186 1.00 37.10 ? 301 THR A CG2 1 ATOM 2337 N N . ILE A 1 300 ? 13.256 11.988 85.958 1.00 26.14 ? 302 ILE A N 1 ATOM 2338 C CA . ILE A 1 300 ? 14.203 11.023 85.401 1.00 25.63 ? 302 ILE A CA 1 ATOM 2339 C C . ILE A 1 300 ? 15.290 10.669 86.409 1.00 28.42 ? 302 ILE A C 1 ATOM 2340 O O . ILE A 1 300 ? 15.982 11.551 86.923 1.00 28.33 ? 302 ILE A O 1 ATOM 2341 C CB . ILE A 1 300 ? 14.911 11.543 84.131 1.00 31.60 ? 302 ILE A CB 1 ATOM 2342 C CG1 . ILE A 1 300 ? 13.918 12.158 83.145 1.00 35.04 ? 302 ILE A CG1 1 ATOM 2343 C CG2 . ILE A 1 300 ? 15.679 10.411 83.465 1.00 20.86 ? 302 ILE A CG2 1 ATOM 2344 C CD1 . ILE A 1 300 ? 14.583 12.757 81.921 1.00 22.31 ? 302 ILE A CD1 1 ATOM 2345 N N . GLY A 1 301 ? 15.446 9.377 86.681 1.00 34.75 ? 303 GLY A N 1 ATOM 2346 C CA . GLY A 1 301 ? 16.495 8.911 87.571 1.00 29.11 ? 303 GLY A CA 1 ATOM 2347 C C . GLY A 1 301 ? 16.011 7.977 88.664 1.00 45.25 ? 303 GLY A C 1 ATOM 2348 O O . GLY A 1 301 ? 14.867 7.521 88.643 1.00 51.95 ? 303 GLY A O 1 ATOM 2349 N N . GLU A 1 302 ? 16.892 7.680 89.616 1.00 46.59 ? 304 GLU A N 1 ATOM 2350 C CA . GLU A 1 302 ? 16.507 6.926 90.804 1.00 40.14 ? 304 GLU A CA 1 ATOM 2351 C C . GLU A 1 302 ? 15.840 7.882 91.774 1.00 41.51 ? 304 GLU A C 1 ATOM 2352 O O . GLU A 1 302 ? 16.514 8.589 92.522 1.00 46.53 ? 304 GLU A O 1 ATOM 2353 C CB . GLU A 1 302 ? 17.725 6.289 91.469 1.00 50.41 ? 304 GLU A CB 1 ATOM 2354 C CG . GLU A 1 302 ? 18.439 5.253 90.623 1.00 61.26 ? 304 GLU A CG 1 ATOM 2355 C CD . GLU A 1 302 ? 19.521 5.858 89.753 1.00 68.21 ? 304 GLU A CD 1 ATOM 2356 O OE1 . GLU A 1 302 ? 20.309 5.091 89.163 1.00 70.71 ? 304 GLU A OE1 1 ATOM 2357 O OE2 . GLU A 1 302 ? 19.589 7.101 89.664 1.00 73.76 ? 304 GLU A OE2 1 ATOM 2358 N N . CYS A 1 303 ? 14.513 7.892 91.765 1.00 49.54 ? 305 CYS A N 1 ATOM 2359 C CA . CYS A 1 303 ? 13.761 8.964 92.399 1.00 45.85 ? 305 CYS A CA 1 ATOM 2360 C C . CYS A 1 303 ? 12.823 8.496 93.506 1.00 44.41 ? 305 CYS A C 1 ATOM 2361 O O . CYS A 1 303 ? 12.361 7.354 93.500 1.00 47.92 ? 305 CYS A O 1 ATOM 2362 C CB . CYS A 1 303 ? 12.970 9.719 91.330 1.00 32.88 ? 305 CYS A CB 1 ATOM 2363 S SG . CYS A 1 303 ? 13.998 10.427 90.033 1.00 167.48 ? 305 CYS A SG 1 ATOM 2364 N N . PRO A 1 304 ? 12.540 9.389 94.467 1.00 30.76 ? 306 PRO A N 1 ATOM 2365 C CA . PRO A 1 304 ? 11.555 9.124 95.520 1.00 36.44 ? 306 PRO A CA 1 ATOM 2366 C C . PRO A 1 304 ? 10.148 9.038 94.944 1.00 32.73 ? 306 PRO A C 1 ATOM 2367 O O . PRO A 1 304 ? 9.922 9.446 93.804 1.00 38.56 ? 306 PRO A O 1 ATOM 2368 C CB . PRO A 1 304 ? 11.676 10.352 96.433 1.00 38.01 ? 306 PRO A CB 1 ATOM 2369 C CG . PRO A 1 304 ? 13.014 10.924 96.136 1.00 35.21 ? 306 PRO A CG 1 ATOM 2370 C CD . PRO A 1 304 ? 13.238 10.667 94.680 1.00 28.28 ? 306 PRO A CD 1 ATOM 2371 N N . ARG A 1 305 ? 9.216 8.509 95.727 1.00 21.66 ? 307 ARG A N 1 ATOM 2372 C CA . ARG A 1 305 ? 7.841 8.358 95.275 1.00 24.63 ? 307 ARG A CA 1 ATOM 2373 C C . ARG A 1 305 ? 7.122 9.698 95.276 1.00 32.68 ? 307 ARG A C 1 ATOM 2374 O O . ARG A 1 305 ? 7.151 10.429 96.264 1.00 48.99 ? 307 ARG A O 1 ATOM 2375 C CB . ARG A 1 305 ? 7.092 7.365 96.162 1.00 23.71 ? 307 ARG A CB 1 ATOM 2376 C CG . ARG A 1 305 ? 7.794 6.032 96.323 1.00 21.57 ? 307 ARG A CG 1 ATOM 2377 C CD . ARG A 1 305 ? 7.953 5.311 94.996 1.00 22.24 ? 307 ARG A CD 1 ATOM 2378 N NE . ARG A 1 305 ? 8.873 4.186 95.119 1.00 49.37 ? 307 ARG A NE 1 ATOM 2379 C CZ . ARG A 1 305 ? 9.817 3.885 94.232 1.00 77.49 ? 307 ARG A CZ 1 ATOM 2380 N NH1 . ARG A 1 305 ? 9.968 4.623 93.139 1.00 83.75 ? 307 ARG A NH1 1 ATOM 2381 N NH2 . ARG A 1 305 ? 10.609 2.841 94.437 1.00 87.41 ? 307 ARG A NH2 1 ATOM 2382 N N . TYR A 1 306 ? 6.478 10.017 94.160 1.00 24.00 ? 308 TYR A N 1 ATOM 2383 C CA . TYR A 1 306 ? 5.739 11.262 94.058 1.00 32.60 ? 308 TYR A CA 1 ATOM 2384 C C . TYR A 1 306 ? 4.404 11.145 94.782 1.00 47.33 ? 308 TYR A C 1 ATOM 2385 O O . TYR A 1 306 ? 3.620 10.232 94.521 1.00 56.65 ? 308 TYR A O 1 ATOM 2386 C CB . TYR A 1 306 ? 5.528 11.648 92.595 1.00 33.73 ? 308 TYR A CB 1 ATOM 2387 C CG . TYR A 1 306 ? 4.859 12.989 92.420 1.00 32.53 ? 308 TYR A CG 1 ATOM 2388 C CD1 . TYR A 1 306 ? 5.430 14.143 92.940 1.00 42.62 ? 308 TYR A CD1 1 ATOM 2389 C CD2 . TYR A 1 306 ? 3.662 13.104 91.733 1.00 35.18 ? 308 TYR A CD2 1 ATOM 2390 C CE1 . TYR A 1 306 ? 4.821 15.373 92.785 1.00 48.13 ? 308 TYR A CE1 1 ATOM 2391 C CE2 . TYR A 1 306 ? 3.047 14.328 91.571 1.00 44.91 ? 308 TYR A CE2 1 ATOM 2392 C CZ . TYR A 1 306 ? 3.631 15.460 92.100 1.00 44.64 ? 308 TYR A CZ 1 ATOM 2393 O OH . TYR A 1 306 ? 3.026 16.685 91.944 1.00 43.24 ? 308 TYR A OH 1 ATOM 2394 N N . VAL A 1 307 ? 4.161 12.070 95.703 1.00 41.67 ? 309 VAL A N 1 ATOM 2395 C CA . VAL A 1 307 ? 2.911 12.101 96.451 1.00 32.25 ? 309 VAL A CA 1 ATOM 2396 C C . VAL A 1 307 ? 2.290 13.491 96.400 1.00 31.58 ? 309 VAL A C 1 ATOM 2397 O O . VAL A 1 307 ? 2.956 14.467 96.055 1.00 21.67 ? 309 VAL A O 1 ATOM 2398 C CB . VAL A 1 307 ? 3.127 11.710 97.915 1.00 25.44 ? 309 VAL A CB 1 ATOM 2399 C CG1 . VAL A 1 307 ? 3.572 10.260 98.014 1.00 25.55 ? 309 VAL A CG1 1 ATOM 2400 C CG2 . VAL A 1 307 ? 4.149 12.628 98.553 1.00 28.60 ? 309 VAL A CG2 1 ATOM 2401 N N . LYS A 1 308 ? 1.012 13.571 96.755 1.00 38.89 ? 310 LYS A N 1 ATOM 2402 C CA . LYS A 1 308 ? 0.264 14.819 96.670 1.00 36.57 ? 310 LYS A CA 1 ATOM 2403 C C . LYS A 1 308 ? 0.401 15.635 97.952 1.00 43.60 ? 310 LYS A C 1 ATOM 2404 O O . LYS A 1 308 ? -0.116 16.749 98.049 1.00 52.68 ? 310 LYS A O 1 ATOM 2405 C CB . LYS A 1 308 ? -1.213 14.522 96.400 1.00 30.57 ? 310 LYS A CB 1 ATOM 2406 C CG . LYS A 1 308 ? -1.849 15.416 95.355 1.00 46.64 ? 310 LYS A CG 1 ATOM 2407 C CD . LYS A 1 308 ? -1.190 15.222 94.000 1.00 67.81 ? 310 LYS A CD 1 ATOM 2408 C CE . LYS A 1 308 ? -1.832 16.102 92.938 1.00 79.20 ? 310 LYS A CE 1 ATOM 2409 N NZ . LYS A 1 308 ? -1.178 15.932 91.609 1.00 80.00 ? 310 LYS A NZ 1 ATOM 2410 N N . SER A 1 309 ? 1.103 15.072 98.931 1.00 41.04 ? 311 SER A N 1 ATOM 2411 C CA . SER A 1 309 ? 1.256 15.690 100.245 1.00 46.93 ? 311 SER A CA 1 ATOM 2412 C C . SER A 1 309 ? 2.030 17.003 100.199 1.00 46.09 ? 311 SER A C 1 ATOM 2413 O O . SER A 1 309 ? 2.936 17.173 99.386 1.00 47.25 ? 311 SER A O 1 ATOM 2414 C CB . SER A 1 309 ? 1.952 14.722 101.205 1.00 56.50 ? 311 SER A CB 1 ATOM 2415 O OG . SER A 1 309 ? 1.192 13.539 101.378 1.00 62.89 ? 311 SER A OG 1 ATOM 2416 N N . GLU A 1 310 ? 1.665 17.931 101.078 1.00 59.78 ? 312 GLU A N 1 ATOM 2417 C CA . GLU A 1 310 ? 2.400 19.183 101.213 1.00 66.40 ? 312 GLU A CA 1 ATOM 2418 C C . GLU A 1 310 ? 3.464 19.049 102.289 1.00 60.67 ? 312 GLU A C 1 ATOM 2419 O O . GLU A 1 310 ? 4.481 19.740 102.260 1.00 61.52 ? 312 GLU A O 1 ATOM 2420 C CB . GLU A 1 310 ? 1.456 20.336 101.555 1.00 78.43 ? 312 GLU A CB 1 ATOM 2421 C CG . GLU A 1 310 ? 0.678 20.866 100.366 1.00 96.57 ? 312 GLU A CG 1 ATOM 2422 C CD . GLU A 1 310 ? 1.585 21.443 99.294 1.00 109.85 ? 312 GLU A CD 1 ATOM 2423 O OE1 . GLU A 1 310 ? 1.254 21.306 98.097 1.00 112.74 ? 312 GLU A OE1 1 ATOM 2424 O OE2 . GLU A 1 310 ? 2.627 22.037 99.649 1.00 114.30 ? 312 GLU A OE2 1 ATOM 2425 N N . LYS A 1 311 ? 3.220 18.156 103.241 1.00 58.26 ? 313 LYS A N 1 ATOM 2426 C CA . LYS A 1 311 ? 4.164 17.913 104.321 1.00 57.10 ? 313 LYS A CA 1 ATOM 2427 C C . LYS A 1 311 ? 3.994 16.513 104.900 1.00 52.11 ? 313 LYS A C 1 ATOM 2428 O O . LYS A 1 311 ? 2.876 16.034 105.078 1.00 51.21 ? 313 LYS A O 1 ATOM 2429 C CB . LYS A 1 311 ? 4.003 18.966 105.419 1.00 64.01 ? 313 LYS A CB 1 ATOM 2430 C CG . LYS A 1 311 ? 2.622 19.003 106.058 1.00 69.58 ? 313 LYS A CG 1 ATOM 2431 C CD . LYS A 1 311 ? 2.562 20.026 107.180 1.00 77.19 ? 313 LYS A CD 1 ATOM 2432 C CE . LYS A 1 311 ? 1.252 19.930 107.945 1.00 76.62 ? 313 LYS A CE 1 ATOM 2433 N NZ . LYS A 1 311 ? 0.074 20.079 107.049 1.00 74.81 ? 313 LYS A NZ 1 ATOM 2434 N N . LEU A 1 312 ? 5.116 15.853 105.166 1.00 45.18 ? 314 LEU A N 1 ATOM 2435 C CA . LEU A 1 312 ? 5.114 14.553 105.826 1.00 35.36 ? 314 LEU A CA 1 ATOM 2436 C C . LEU A 1 312 ? 6.119 14.575 106.970 1.00 37.34 ? 314 LEU A C 1 ATOM 2437 O O . LEU A 1 312 ? 7.297 14.277 106.781 1.00 37.95 ? 314 LEU A O 1 ATOM 2438 C CB . LEU A 1 312 ? 5.462 13.434 104.839 1.00 22.21 ? 314 LEU A CB 1 ATOM 2439 C CG . LEU A 1 312 ? 4.414 13.077 103.777 1.00 29.16 ? 314 LEU A CG 1 ATOM 2440 C CD1 . LEU A 1 312 ? 4.865 11.867 102.974 1.00 30.26 ? 314 LEU A CD1 1 ATOM 2441 C CD2 . LEU A 1 312 ? 3.060 12.820 104.425 1.00 34.86 ? 314 LEU A CD2 1 ATOM 2442 N N . VAL A 1 313 ? 5.648 14.933 108.159 1.00 32.64 ? 315 VAL A N 1 ATOM 2443 C CA . VAL A 1 313 ? 6.542 15.115 109.294 1.00 37.57 ? 315 VAL A CA 1 ATOM 2444 C C . VAL A 1 313 ? 6.397 14.011 110.338 1.00 40.15 ? 315 VAL A C 1 ATOM 2445 O O . VAL A 1 313 ? 5.334 13.843 110.939 1.00 42.65 ? 315 VAL A O 1 ATOM 2446 C CB . VAL A 1 313 ? 6.317 16.480 109.975 1.00 43.21 ? 315 VAL A CB 1 ATOM 2447 C CG1 . VAL A 1 313 ? 7.542 16.877 110.786 1.00 42.49 ? 315 VAL A CG1 1 ATOM 2448 C CG2 . VAL A 1 313 ? 6.003 17.543 108.939 1.00 43.47 ? 315 VAL A CG2 1 ATOM 2449 N N . LEU A 1 314 ? 7.478 13.265 110.546 1.00 29.03 ? 316 LEU A N 1 ATOM 2450 C CA . LEU A 1 314 ? 7.538 12.258 111.599 1.00 33.45 ? 316 LEU A CA 1 ATOM 2451 C C . LEU A 1 314 ? 7.921 12.902 112.919 1.00 42.48 ? 316 LEU A C 1 ATOM 2452 O O . LEU A 1 314 ? 8.751 13.806 112.956 1.00 54.57 ? 316 LEU A O 1 ATOM 2453 C CB . LEU A 1 314 ? 8.561 11.174 111.259 1.00 17.98 ? 316 LEU A CB 1 ATOM 2454 C CG . LEU A 1 314 ? 8.105 10.038 110.348 1.00 16.88 ? 316 LEU A CG 1 ATOM 2455 C CD1 . LEU A 1 314 ? 9.177 8.965 110.253 1.00 16.84 ? 316 LEU A CD1 1 ATOM 2456 C CD2 . LEU A 1 314 ? 6.801 9.456 110.860 1.00 22.63 ? 316 LEU A CD2 1 ATOM 2457 N N . ALA A 1 315 ? 7.316 12.431 114.002 1.00 43.68 ? 317 ALA A N 1 ATOM 2458 C CA . ALA A 1 315 ? 7.695 12.879 115.332 1.00 39.34 ? 317 ALA A CA 1 ATOM 2459 C C . ALA A 1 315 ? 8.834 12.003 115.834 1.00 38.92 ? 317 ALA A C 1 ATOM 2460 O O . ALA A 1 315 ? 8.737 10.780 115.813 1.00 37.89 ? 317 ALA A O 1 ATOM 2461 C CB . ALA A 1 315 ? 6.513 12.803 116.276 1.00 38.53 ? 317 ALA A CB 1 ATOM 2462 N N . THR A 1 316 ? 9.919 12.632 116.271 1.00 49.14 ? 318 THR A N 1 ATOM 2463 C CA . THR A 1 316 ? 11.037 11.900 116.849 1.00 44.72 ? 318 THR A CA 1 ATOM 2464 C C . THR A 1 316 ? 11.081 12.118 118.355 1.00 48.19 ? 318 THR A C 1 ATOM 2465 O O . THR A 1 316 ? 11.248 11.174 119.125 1.00 58.99 ? 318 THR A O 1 ATOM 2466 C CB . THR A 1 316 ? 12.373 12.314 116.228 1.00 42.82 ? 318 THR A CB 1 ATOM 2467 O OG1 . THR A 1 316 ? 12.486 13.742 116.231 1.00 50.41 ? 318 THR A OG1 1 ATOM 2468 C CG2 . THR A 1 316 ? 12.468 11.812 114.796 1.00 39.24 ? 318 THR A CG2 1 ATOM 2469 N N . GLY A 1 317 ? 10.934 13.372 118.767 1.00 33.97 ? 319 GLY A N 1 ATOM 2470 C CA . GLY A 1 317 ? 10.890 13.714 120.175 1.00 38.51 ? 319 GLY A CA 1 ATOM 2471 C C . GLY A 1 317 ? 9.525 13.437 120.776 1.00 42.43 ? 319 GLY A C 1 ATOM 2472 O O . GLY A 1 317 ? 8.702 12.743 120.178 1.00 40.03 ? 319 GLY A O 1 ATOM 2473 N N . LEU A 1 318 ? 9.280 13.980 121.963 1.00 41.61 ? 320 LEU A N 1 ATOM 2474 C CA . LEU A 1 318 ? 8.016 13.738 122.652 1.00 46.83 ? 320 LEU A CA 1 ATOM 2475 C C . LEU A 1 318 ? 7.075 14.936 122.555 1.00 48.64 ? 320 LEU A C 1 ATOM 2476 O O . LEU A 1 318 ? 7.404 15.945 121.936 1.00 64.36 ? 320 LEU A O 1 ATOM 2477 C CB . LEU A 1 318 ? 8.251 13.352 124.116 1.00 38.69 ? 320 LEU A CB 1 ATOM 2478 C CG . LEU A 1 318 ? 9.276 14.145 124.925 1.00 37.66 ? 320 LEU A CG 1 ATOM 2479 C CD1 . LEU A 1 318 ? 8.792 14.298 126.351 1.00 37.68 ? 320 LEU A CD1 1 ATOM 2480 C CD2 . LEU A 1 318 ? 10.628 13.454 124.906 1.00 39.87 ? 320 LEU A CD2 1 ATOM 2481 N N . ARG A 1 319 ? 5.898 14.813 123.158 1.00 27.16 ? 321 ARG A N 1 ATOM 2482 C CA . ARG A 1 319 ? 4.934 15.905 123.165 1.00 31.21 ? 321 ARG A CA 1 ATOM 2483 C C . ARG A 1 319 ? 5.473 17.071 123.989 1.00 38.90 ? 321 ARG A C 1 ATOM 2484 O O . ARG A 1 319 ? 5.998 16.879 125.086 1.00 38.94 ? 321 ARG A O 1 ATOM 2485 C CB . ARG A 1 319 ? 3.591 15.434 123.723 1.00 36.38 ? 321 ARG A CB 1 ATOM 2486 C CG . ARG A 1 319 ? 2.514 16.507 123.737 1.00 40.01 ? 321 ARG A CG 1 ATOM 2487 C CD . ARG A 1 319 ? 1.264 16.020 124.450 1.00 40.47 ? 321 ARG A CD 1 ATOM 2488 N NE . ARG A 1 319 ? 0.604 14.942 123.721 1.00 43.73 ? 321 ARG A NE 1 ATOM 2489 C CZ . ARG A 1 319 ? -0.499 15.097 122.997 1.00 49.26 ? 321 ARG A CZ 1 ATOM 2490 N NH1 . ARG A 1 319 ? -1.076 16.287 122.911 1.00 51.30 ? 321 ARG A NH1 1 ATOM 2491 N NH2 . ARG A 1 319 ? -1.031 14.059 122.365 1.00 55.86 ? 321 ARG A NH2 1 ATOM 2492 N N . ASN A 1 320 ? 5.345 18.280 123.454 1.00 47.88 ? 322 ASN A N 1 ATOM 2493 C CA . ASN A 1 320 ? 5.879 19.462 124.115 1.00 55.02 ? 322 ASN A CA 1 ATOM 2494 C C . ASN A 1 320 ? 4.858 20.116 125.041 1.00 62.22 ? 322 ASN A C 1 ATOM 2495 O O . ASN A 1 320 ? 3.856 20.669 124.587 1.00 61.93 ? 322 ASN A O 1 ATOM 2496 C CB . ASN A 1 320 ? 6.377 20.472 123.081 1.00 46.51 ? 322 ASN A CB 1 ATOM 2497 C CG . ASN A 1 320 ? 7.576 21.258 123.566 1.00 45.41 ? 322 ASN A CG 1 ATOM 2498 O OD1 . ASN A 1 320 ? 7.910 21.237 124.751 1.00 51.25 ? 322 ASN A OD1 1 ATOM 2499 N ND2 . ASN A 1 320 ? 8.231 21.962 122.651 1.00 49.49 ? 322 ASN A ND2 1 ATOM 2500 N N . VAL A 1 321 ? 5.119 20.045 126.343 1.00 64.45 ? 323 VAL A N 1 ATOM 2501 C CA . VAL A 1 321 ? 4.214 20.591 127.346 1.00 67.10 ? 323 VAL A CA 1 ATOM 2502 C C . VAL A 1 321 ? 4.958 21.543 128.283 1.00 77.01 ? 323 VAL A C 1 ATOM 2503 O O . VAL A 1 321 ? 6.042 21.218 128.766 1.00 81.21 ? 323 VAL A O 1 ATOM 2504 C CB . VAL A 1 321 ? 3.571 19.465 128.187 1.00 67.10 ? 323 VAL A CB 1 ATOM 2505 C CG1 . VAL A 1 321 ? 2.524 20.031 129.129 1.00 86.00 ? 323 VAL A CG1 1 ATOM 2506 C CG2 . VAL A 1 321 ? 2.956 18.403 127.286 1.00 46.10 ? 323 VAL A CG2 1 ATOM 2507 N N . PRO A 1 322 ? 4.383 22.732 128.532 1.00 81.74 ? 324 PRO A N 1 ATOM 2508 C CA . PRO A 1 322 ? 4.959 23.696 129.481 1.00 88.82 ? 324 PRO A CA 1 ATOM 2509 C C . PRO A 1 322 ? 4.610 23.367 130.934 1.00 85.30 ? 324 PRO A C 1 ATOM 2510 O O . PRO A 1 322 ? 5.022 24.095 131.840 1.00 75.20 ? 324 PRO A O 1 ATOM 2511 C CB . PRO A 1 322 ? 4.300 25.014 129.071 1.00 91.20 ? 324 PRO A CB 1 ATOM 2512 C CG . PRO A 1 322 ? 2.988 24.603 128.497 1.00 85.72 ? 324 PRO A CG 1 ATOM 2513 C CD . PRO A 1 322 ? 3.233 23.293 127.801 1.00 74.96 ? 324 PRO A CD 1 ATOM 2514 N N . GLY B 2 1 ? -1.222 10.500 127.551 1.00 56.79 ? 1 GLY B N 1 ATOM 2515 C CA . GLY B 2 1 ? -1.499 9.778 126.323 1.00 59.07 ? 1 GLY B CA 1 ATOM 2516 C C . GLY B 2 1 ? -2.149 8.438 126.588 1.00 63.70 ? 1 GLY B C 1 ATOM 2517 O O . GLY B 2 1 ? -3.223 8.370 127.183 1.00 73.56 ? 1 GLY B O 1 ATOM 2518 N N . LEU B 2 2 ? -1.499 7.367 126.146 1.00 45.02 ? 2 LEU B N 1 ATOM 2519 C CA . LEU B 2 2 ? -2.042 6.026 126.332 1.00 32.91 ? 2 LEU B CA 1 ATOM 2520 C C . LEU B 2 2 ? -1.693 5.471 127.710 1.00 26.80 ? 2 LEU B C 1 ATOM 2521 O O . LEU B 2 2 ? -2.476 4.734 128.311 1.00 36.86 ? 2 LEU B O 1 ATOM 2522 C CB . LEU B 2 2 ? -1.535 5.078 125.245 1.00 32.36 ? 2 LEU B CB 1 ATOM 2523 C CG . LEU B 2 2 ? -2.579 4.131 124.649 1.00 37.33 ? 2 LEU B CG 1 ATOM 2524 C CD1 . LEU B 2 2 ? -3.624 4.909 123.854 1.00 51.90 ? 2 LEU B CD1 1 ATOM 2525 C CD2 . LEU B 2 2 ? -1.920 3.071 123.783 1.00 22.13 ? 2 LEU B CD2 1 ATOM 2526 N N . PHE B 2 3 ? -0.516 5.830 128.209 1.00 34.79 ? 3 PHE B N 1 ATOM 2527 C CA . PHE B 2 3 ? -0.059 5.346 129.508 1.00 46.37 ? 3 PHE B CA 1 ATOM 2528 C C . PHE B 2 3 ? -0.217 6.416 130.583 1.00 47.99 ? 3 PHE B C 1 ATOM 2529 O O . PHE B 2 3 ? 0.210 6.241 131.724 1.00 53.05 ? 3 PHE B O 1 ATOM 2530 C CB . PHE B 2 3 ? 1.383 4.846 129.423 1.00 22.34 ? 3 PHE B CB 1 ATOM 2531 C CG . PHE B 2 3 ? 1.562 3.696 128.472 1.00 35.52 ? 3 PHE B CG 1 ATOM 2532 C CD1 . PHE B 2 3 ? 1.576 2.393 128.936 1.00 36.58 ? 3 PHE B CD1 1 ATOM 2533 C CD2 . PHE B 2 3 ? 1.692 3.916 127.110 1.00 42.03 ? 3 PHE B CD2 1 ATOM 2534 C CE1 . PHE B 2 3 ? 1.730 1.333 128.062 1.00 34.58 ? 3 PHE B CE1 1 ATOM 2535 C CE2 . PHE B 2 3 ? 1.847 2.860 126.234 1.00 41.42 ? 3 PHE B CE2 1 ATOM 2536 C CZ . PHE B 2 3 ? 1.866 1.568 126.711 1.00 34.79 ? 3 PHE B CZ 1 ATOM 2537 N N . GLY B 2 4 ? -0.833 7.529 130.201 1.00 41.25 ? 4 GLY B N 1 ATOM 2538 C CA . GLY B 2 4 ? -1.274 8.539 131.145 1.00 39.84 ? 4 GLY B CA 1 ATOM 2539 C C . GLY B 2 4 ? -0.201 9.315 131.883 1.00 39.34 ? 4 GLY B C 1 ATOM 2540 O O . GLY B 2 4 ? -0.497 9.967 132.879 1.00 33.66 ? 4 GLY B O 1 ATOM 2541 N N . ALA B 2 5 ? 1.036 9.260 131.403 1.00 47.76 ? 5 ALA B N 1 ATOM 2542 C CA . ALA B 2 5 ? 2.110 10.034 132.020 1.00 47.28 ? 5 ALA B CA 1 ATOM 2543 C C . ALA B 2 5 ? 2.190 11.432 131.420 1.00 44.09 ? 5 ALA B C 1 ATOM 2544 O O . ALA B 2 5 ? 1.813 12.414 132.065 1.00 44.40 ? 5 ALA B O 1 ATOM 2545 C CB . ALA B 2 5 ? 3.442 9.315 131.888 1.00 23.98 ? 5 ALA B CB 1 ATOM 2546 N N . ILE B 2 6 ? 2.667 11.517 130.180 1.00 32.89 ? 6 ILE B N 1 ATOM 2547 C CA . ILE B 2 6 ? 2.783 12.801 129.492 1.00 27.88 ? 6 ILE B CA 1 ATOM 2548 C C . ILE B 2 6 ? 1.405 13.421 129.272 1.00 30.56 ? 6 ILE B C 1 ATOM 2549 O O . ILE B 2 6 ? 0.496 12.770 128.747 1.00 35.71 ? 6 ILE B O 1 ATOM 2550 C CB . ILE B 2 6 ? 3.521 12.664 128.148 1.00 26.52 ? 6 ILE B CB 1 ATOM 2551 C CG1 . ILE B 2 6 ? 4.868 11.967 128.351 1.00 49.40 ? 6 ILE B CG1 1 ATOM 2552 C CG2 . ILE B 2 6 ? 3.725 14.028 127.514 1.00 78.10 ? 6 ILE B CG2 1 ATOM 2553 C CD1 . ILE B 2 6 ? 5.638 11.743 127.068 1.00 47.71 ? 6 ILE B CD1 1 ATOM 2554 N N . ALA B 2 7 ? 1.264 14.677 129.691 1.00 29.81 ? 7 ALA B N 1 ATOM 2555 C CA . ALA B 2 7 ? -0.025 15.366 129.733 1.00 40.44 ? 7 ALA B CA 1 ATOM 2556 C C . ALA B 2 7 ? -1.067 14.569 130.520 1.00 46.12 ? 7 ALA B C 1 ATOM 2557 O O . ALA B 2 7 ? -2.270 14.688 130.278 1.00 51.32 ? 7 ALA B O 1 ATOM 2558 C CB . ALA B 2 7 ? -0.527 15.676 128.325 1.00 48.20 ? 7 ALA B CB 1 ATOM 2559 N N . GLY B 2 8 ? -0.595 13.765 131.469 1.00 48.09 ? 8 GLY B N 1 ATOM 2560 C CA . GLY B 2 8 ? -1.470 12.929 132.267 1.00 50.68 ? 8 GLY B CA 1 ATOM 2561 C C . GLY B 2 8 ? -1.410 13.295 133.735 1.00 50.05 ? 8 GLY B C 1 ATOM 2562 O O . GLY B 2 8 ? -1.728 14.426 134.105 1.00 53.14 ? 8 GLY B O 1 ATOM 2563 N N . PHE B 2 9 ? -1.009 12.346 134.576 1.00 28.64 ? 9 PHE B N 1 ATOM 2564 C CA . PHE B 2 9 ? -0.851 12.636 135.996 1.00 34.46 ? 9 PHE B CA 1 ATOM 2565 C C . PHE B 2 9 ? 0.423 13.447 136.227 1.00 43.69 ? 9 PHE B C 1 ATOM 2566 O O . PHE B 2 9 ? 0.588 14.089 137.264 1.00 58.12 ? 9 PHE B O 1 ATOM 2567 C CB . PHE B 2 9 ? -0.907 11.362 136.856 1.00 37.80 ? 9 PHE B CB 1 ATOM 2568 C CG . PHE B 2 9 ? 0.276 10.445 136.693 1.00 37.24 ? 9 PHE B CG 1 ATOM 2569 C CD1 . PHE B 2 9 ? 1.359 10.531 137.554 1.00 44.37 ? 9 PHE B CD1 1 ATOM 2570 C CD2 . PHE B 2 9 ? 0.296 9.480 135.700 1.00 41.66 ? 9 PHE B CD2 1 ATOM 2571 C CE1 . PHE B 2 9 ? 2.446 9.687 137.416 1.00 44.17 ? 9 PHE B CE1 1 ATOM 2572 C CE2 . PHE B 2 9 ? 1.382 8.633 135.553 1.00 49.52 ? 9 PHE B CE2 1 ATOM 2573 C CZ . PHE B 2 9 ? 2.457 8.737 136.414 1.00 47.80 ? 9 PHE B CZ 1 ATOM 2574 N N . ILE B 2 10 ? 1.314 13.416 135.241 1.00 28.87 ? 10 ILE B N 1 ATOM 2575 C CA . ILE B 2 10 ? 2.448 14.329 135.194 1.00 38.55 ? 10 ILE B CA 1 ATOM 2576 C C . ILE B 2 10 ? 2.092 15.429 134.209 1.00 49.56 ? 10 ILE B C 1 ATOM 2577 O O . ILE B 2 10 ? 2.227 15.251 132.997 1.00 51.02 ? 10 ILE B O 1 ATOM 2578 C CB . ILE B 2 10 ? 3.728 13.624 134.712 1.00 32.49 ? 10 ILE B CB 1 ATOM 2579 C CG1 . ILE B 2 10 ? 4.073 12.453 135.634 1.00 29.41 ? 10 ILE B CG1 1 ATOM 2580 C CG2 . ILE B 2 10 ? 4.887 14.606 134.648 1.00 31.56 ? 10 ILE B CG2 1 ATOM 2581 C CD1 . ILE B 2 10 ? 5.337 11.729 135.248 1.00 26.86 ? 10 ILE B CD1 1 ATOM 2582 N N . GLU B 2 11 ? 1.626 16.559 134.731 1.00 57.37 ? 11 GLU B N 1 ATOM 2583 C CA . GLU B 2 11 ? 1.037 17.605 133.896 1.00 57.09 ? 11 GLU B CA 1 ATOM 2584 C C . GLU B 2 11 ? 1.988 18.223 132.875 1.00 52.18 ? 11 GLU B C 1 ATOM 2585 O O . GLU B 2 11 ? 1.727 18.180 131.673 1.00 65.26 ? 11 GLU B O 1 ATOM 2586 C CB . GLU B 2 11 ? 0.416 18.706 134.756 1.00 67.86 ? 11 GLU B CB 1 ATOM 2587 C CG . GLU B 2 11 ? -0.934 18.353 135.346 1.00 78.82 ? 11 GLU B CG 1 ATOM 2588 C CD . GLU B 2 11 ? -1.658 19.567 135.892 1.00 95.75 ? 11 GLU B CD 1 ATOM 2589 O OE1 . GLU B 2 11 ? -1.663 19.754 137.128 1.00 95.89 ? 11 GLU B OE1 1 ATOM 2590 O OE2 . GLU B 2 11 ? -2.220 20.337 135.082 1.00 100.70 ? 11 GLU B OE2 1 ATOM 2591 N N . GLY B 2 12 ? 3.085 18.797 133.352 1.00 41.99 ? 12 GLY B N 1 ATOM 2592 C CA . GLY B 2 12 ? 3.979 19.538 132.481 1.00 45.89 ? 12 GLY B CA 1 ATOM 2593 C C . GLY B 2 12 ? 5.307 18.869 132.187 1.00 45.88 ? 12 GLY B C 1 ATOM 2594 O O . GLY B 2 12 ? 5.627 17.816 132.737 1.00 57.11 ? 12 GLY B O 1 ATOM 2595 N N . GLY B 2 13 ? 6.080 19.496 131.307 1.00 37.28 ? 13 GLY B N 1 ATOM 2596 C CA . GLY B 2 13 ? 7.425 19.052 131.000 1.00 45.71 ? 13 GLY B CA 1 ATOM 2597 C C . GLY B 2 13 ? 8.438 19.967 131.657 1.00 49.85 ? 13 GLY B C 1 ATOM 2598 O O . GLY B 2 13 ? 8.092 21.043 132.141 1.00 55.09 ? 13 GLY B O 1 ATOM 2599 N N . TRP B 2 14 ? 9.695 19.541 131.674 1.00 46.03 ? 14 TRP B N 1 ATOM 2600 C CA . TRP B 2 14 ? 10.742 20.306 132.335 1.00 45.54 ? 14 TRP B CA 1 ATOM 2601 C C . TRP B 2 14 ? 11.659 21.002 131.341 1.00 53.93 ? 14 TRP B C 1 ATOM 2602 O O . TRP B 2 14 ? 12.441 20.355 130.645 1.00 61.11 ? 14 TRP B O 1 ATOM 2603 C CB . TRP B 2 14 ? 11.557 19.402 133.260 1.00 54.52 ? 14 TRP B CB 1 ATOM 2604 C CG . TRP B 2 14 ? 10.768 18.879 134.417 1.00 57.75 ? 14 TRP B CG 1 ATOM 2605 C CD1 . TRP B 2 14 ? 9.582 19.364 134.888 1.00 57.80 ? 14 TRP B CD1 1 ATOM 2606 C CD2 . TRP B 2 14 ? 11.103 17.762 135.245 1.00 51.60 ? 14 TRP B CD2 1 ATOM 2607 N NE1 . TRP B 2 14 ? 9.160 18.620 135.963 1.00 55.38 ? 14 TRP B NE1 1 ATOM 2608 C CE2 . TRP B 2 14 ? 10.076 17.629 136.202 1.00 53.68 ? 14 TRP B CE2 1 ATOM 2609 C CE3 . TRP B 2 14 ? 12.171 16.861 135.272 1.00 46.08 ? 14 TRP B CE3 1 ATOM 2610 C CZ2 . TRP B 2 14 ? 10.087 16.633 137.173 1.00 55.99 ? 14 TRP B CZ2 1 ATOM 2611 C CZ3 . TRP B 2 14 ? 12.181 15.872 136.236 1.00 48.98 ? 14 TRP B CZ3 1 ATOM 2612 C CH2 . TRP B 2 14 ? 11.144 15.765 137.173 1.00 56.60 ? 14 TRP B CH2 1 ATOM 2613 N N . GLN B 2 15 ? 11.555 22.326 131.282 1.00 58.23 ? 15 GLN B N 1 ATOM 2614 C CA . GLN B 2 15 ? 12.434 23.131 130.444 1.00 50.66 ? 15 GLN B CA 1 ATOM 2615 C C . GLN B 2 15 ? 13.866 23.047 130.951 1.00 55.85 ? 15 GLN B C 1 ATOM 2616 O O . GLN B 2 15 ? 14.816 23.152 130.178 1.00 69.38 ? 15 GLN B O 1 ATOM 2617 C CB . GLN B 2 15 ? 11.980 24.592 130.439 1.00 44.49 ? 15 GLN B CB 1 ATOM 2618 C CG . GLN B 2 15 ? 10.724 24.856 129.630 1.00 54.06 ? 15 GLN B CG 1 ATOM 2619 C CD . GLN B 2 15 ? 10.984 24.842 128.136 1.00 62.47 ? 15 GLN B CD 1 ATOM 2620 O OE1 . GLN B 2 15 ? 10.175 24.334 127.358 1.00 64.75 ? 15 GLN B OE1 1 ATOM 2621 N NE2 . GLN B 2 15 ? 12.118 25.405 127.727 1.00 64.66 ? 15 GLN B NE2 1 ATOM 2622 N N . GLY B 2 16 ? 14.010 22.852 132.258 1.00 51.76 ? 16 GLY B N 1 ATOM 2623 C CA . GLY B 2 16 ? 15.313 22.891 132.895 1.00 62.15 ? 16 GLY B CA 1 ATOM 2624 C C . GLY B 2 16 ? 16.195 21.693 132.606 1.00 66.67 ? 16 GLY B C 1 ATOM 2625 O O . GLY B 2 16 ? 17.388 21.706 132.905 1.00 72.23 ? 16 GLY B O 1 ATOM 2626 N N . MET B 2 17 ? 15.615 20.650 132.026 1.00 70.24 ? 17 MET B N 1 ATOM 2627 C CA . MET B 2 17 ? 16.386 19.462 131.692 1.00 77.83 ? 17 MET B CA 1 ATOM 2628 C C . MET B 2 17 ? 16.747 19.439 130.214 1.00 89.36 ? 17 MET B C 1 ATOM 2629 O O . MET B 2 17 ? 15.907 19.133 129.366 1.00 92.81 ? 17 MET B O 1 ATOM 2630 C CB . MET B 2 17 ? 15.616 18.194 132.057 1.00 70.61 ? 17 MET B CB 1 ATOM 2631 C CG . MET B 2 17 ? 16.508 16.976 132.216 1.00 67.11 ? 17 MET B CG 1 ATOM 2632 S SD . MET B 2 17 ? 15.623 15.417 132.085 1.00 62.25 ? 17 MET B SD 1 ATOM 2633 C CE . MET B 2 17 ? 13.961 15.923 132.498 1.00 72.45 ? 17 MET B CE 1 ATOM 2634 N N . VAL B 2 18 ? 17.998 19.765 129.911 1.00 88.67 ? 18 VAL B N 1 ATOM 2635 C CA . VAL B 2 18 ? 18.484 19.727 128.539 1.00 88.17 ? 18 VAL B CA 1 ATOM 2636 C C . VAL B 2 18 ? 19.305 18.464 128.323 1.00 85.69 ? 18 VAL B C 1 ATOM 2637 O O . VAL B 2 18 ? 19.750 18.173 127.213 1.00 77.67 ? 18 VAL B O 1 ATOM 2638 C CB . VAL B 2 18 ? 19.364 20.954 128.232 1.00 82.70 ? 18 VAL B CB 1 ATOM 2639 C CG1 . VAL B 2 18 ? 18.651 22.228 128.642 1.00 69.65 ? 18 VAL B CG1 1 ATOM 2640 C CG2 . VAL B 2 18 ? 20.700 20.838 128.952 1.00 87.42 ? 18 VAL B CG2 1 ATOM 2641 N N . ASP B 2 19 ? 19.482 17.711 129.403 1.00 94.78 ? 19 ASP B N 1 ATOM 2642 C CA . ASP B 2 19 ? 20.394 16.573 129.428 1.00 94.46 ? 19 ASP B CA 1 ATOM 2643 C C . ASP B 2 19 ? 19.873 15.362 128.653 1.00 82.67 ? 19 ASP B C 1 ATOM 2644 O O . ASP B 2 19 ? 20.652 14.608 128.071 1.00 79.17 ? 19 ASP B O 1 ATOM 2645 C CB . ASP B 2 19 ? 20.683 16.171 130.877 1.00 102.93 ? 19 ASP B CB 1 ATOM 2646 C CG . ASP B 2 19 ? 20.668 17.354 131.826 1.00 105.57 ? 19 ASP B CG 1 ATOM 2647 O OD1 . ASP B 2 19 ? 20.861 18.497 131.359 1.00 114.12 ? 19 ASP B OD1 1 ATOM 2648 O OD2 . ASP B 2 19 ? 20.464 17.141 133.040 1.00 93.84 ? 19 ASP B OD2 1 ATOM 2649 N N . GLY B 2 20 ? 18.558 15.171 128.653 1.00 74.15 ? 20 GLY B N 1 ATOM 2650 C CA . GLY B 2 20 ? 17.969 14.001 128.025 1.00 67.44 ? 20 GLY B CA 1 ATOM 2651 C C . GLY B 2 20 ? 16.462 14.082 127.885 1.00 68.03 ? 20 GLY B C 1 ATOM 2652 O O . GLY B 2 20 ? 15.866 15.139 128.082 1.00 78.66 ? 20 GLY B O 1 ATOM 2653 N N . TRP B 2 21 ? 15.845 12.957 127.540 1.00 55.48 ? 21 TRP B N 1 ATOM 2654 C CA . TRP B 2 21 ? 14.404 12.911 127.316 1.00 51.87 ? 21 TRP B CA 1 ATOM 2655 C C . TRP B 2 21 ? 13.620 12.693 128.608 1.00 55.69 ? 21 TRP B C 1 ATOM 2656 O O . TRP B 2 21 ? 12.602 13.346 128.840 1.00 59.24 ? 21 TRP B O 1 ATOM 2657 C CB . TRP B 2 21 ? 14.055 11.827 126.295 1.00 50.88 ? 21 TRP B CB 1 ATOM 2658 C CG . TRP B 2 21 ? 14.168 12.279 124.868 1.00 48.37 ? 21 TRP B CG 1 ATOM 2659 C CD1 . TRP B 2 21 ? 14.161 13.565 124.410 1.00 50.06 ? 21 TRP B CD1 1 ATOM 2660 C CD2 . TRP B 2 21 ? 14.308 11.444 123.713 1.00 43.10 ? 21 TRP B CD2 1 ATOM 2661 N NE1 . TRP B 2 21 ? 14.286 13.581 123.043 1.00 47.81 ? 21 TRP B NE1 1 ATOM 2662 C CE2 . TRP B 2 21 ? 14.378 12.291 122.591 1.00 48.41 ? 21 TRP B CE2 1 ATOM 2663 C CE3 . TRP B 2 21 ? 14.380 10.061 123.521 1.00 46.32 ? 21 TRP B CE3 1 ATOM 2664 C CZ2 . TRP B 2 21 ? 14.518 11.801 121.294 1.00 59.36 ? 21 TRP B CZ2 1 ATOM 2665 C CZ3 . TRP B 2 21 ? 14.519 9.576 122.233 1.00 47.46 ? 21 TRP B CZ3 1 ATOM 2666 C CH2 . TRP B 2 21 ? 14.586 10.443 121.137 1.00 55.97 ? 21 TRP B CH2 1 ATOM 2667 N N . TYR B 2 22 ? 14.090 11.768 129.439 1.00 56.09 ? 22 TYR B N 1 ATOM 2668 C CA . TYR B 2 22 ? 13.461 11.514 130.731 1.00 57.07 ? 22 TYR B CA 1 ATOM 2669 C C . TYR B 2 22 ? 14.494 11.584 131.847 1.00 60.58 ? 22 TYR B C 1 ATOM 2670 O O . TYR B 2 22 ? 15.614 11.093 131.699 1.00 71.94 ? 22 TYR B O 1 ATOM 2671 C CB . TYR B 2 22 ? 12.777 10.145 130.753 1.00 52.03 ? 22 TYR B CB 1 ATOM 2672 C CG . TYR B 2 22 ? 12.453 9.578 129.390 1.00 43.87 ? 22 TYR B CG 1 ATOM 2673 C CD1 . TYR B 2 22 ? 11.413 10.092 128.630 1.00 34.99 ? 22 TYR B CD1 1 ATOM 2674 C CD2 . TYR B 2 22 ? 13.180 8.513 128.870 1.00 45.62 ? 22 TYR B CD2 1 ATOM 2675 C CE1 . TYR B 2 22 ? 11.113 9.570 127.387 1.00 42.88 ? 22 TYR B CE1 1 ATOM 2676 C CE2 . TYR B 2 22 ? 12.885 7.983 127.629 1.00 38.19 ? 22 TYR B CE2 1 ATOM 2677 C CZ . TYR B 2 22 ? 11.852 8.516 126.892 1.00 41.58 ? 22 TYR B CZ 1 ATOM 2678 O OH . TYR B 2 22 ? 11.558 7.992 125.654 1.00 40.83 ? 22 TYR B OH 1 ATOM 2679 N N . GLY B 2 23 ? 14.113 12.188 132.968 1.00 51.24 ? 23 GLY B N 1 ATOM 2680 C CA . GLY B 2 23 ? 15.019 12.325 134.092 1.00 48.24 ? 23 GLY B CA 1 ATOM 2681 C C . GLY B 2 23 ? 14.335 12.554 135.426 1.00 50.29 ? 23 GLY B C 1 ATOM 2682 O O . GLY B 2 23 ? 13.119 12.393 135.555 1.00 55.58 ? 23 GLY B O 1 ATOM 2683 N N . TYR B 2 24 ? 15.129 12.935 136.423 1.00 42.76 ? 24 TYR B N 1 ATOM 2684 C CA . TYR B 2 24 ? 14.634 13.147 137.775 1.00 36.95 ? 24 TYR B CA 1 ATOM 2685 C C . TYR B 2 24 ? 14.730 14.617 138.179 1.00 38.63 ? 24 TYR B C 1 ATOM 2686 O O . TYR B 2 24 ? 15.511 15.381 137.610 1.00 38.76 ? 24 TYR B O 1 ATOM 2687 C CB . TYR B 2 24 ? 15.438 12.317 138.782 1.00 30.46 ? 24 TYR B CB 1 ATOM 2688 C CG . TYR B 2 24 ? 15.742 10.901 138.356 1.00 43.81 ? 24 TYR B CG 1 ATOM 2689 C CD1 . TYR B 2 24 ? 14.905 9.852 138.712 1.00 42.90 ? 24 TYR B CD1 1 ATOM 2690 C CD2 . TYR B 2 24 ? 16.880 10.608 137.615 1.00 53.92 ? 24 TYR B CD2 1 ATOM 2691 C CE1 . TYR B 2 24 ? 15.185 8.551 138.329 1.00 47.60 ? 24 TYR B CE1 1 ATOM 2692 C CE2 . TYR B 2 24 ? 17.168 9.312 137.228 1.00 57.80 ? 24 TYR B CE2 1 ATOM 2693 C CZ . TYR B 2 24 ? 16.317 8.288 137.587 1.00 53.79 ? 24 TYR B CZ 1 ATOM 2694 O OH . TYR B 2 24 ? 16.602 6.998 137.203 1.00 57.30 ? 24 TYR B OH 1 ATOM 2695 N N . HIS B 2 25 ? 13.928 15.003 139.166 1.00 36.45 ? 25 HIS B N 1 ATOM 2696 C CA . HIS B 2 25 ? 14.120 16.264 139.873 1.00 46.48 ? 25 HIS B CA 1 ATOM 2697 C C . HIS B 2 25 ? 14.105 15.996 141.368 1.00 62.33 ? 25 HIS B C 1 ATOM 2698 O O . HIS B 2 25 ? 13.120 15.490 141.904 1.00 71.31 ? 25 HIS B O 1 ATOM 2699 C CB . HIS B 2 25 ? 13.033 17.279 139.526 1.00 52.70 ? 25 HIS B CB 1 ATOM 2700 C CG . HIS B 2 25 ? 13.106 18.538 140.332 1.00 56.64 ? 25 HIS B CG 1 ATOM 2701 N ND1 . HIS B 2 25 ? 14.295 19.191 140.588 1.00 48.97 ? 25 HIS B ND1 1 ATOM 2702 C CD2 . HIS B 2 25 ? 12.141 19.268 140.939 1.00 62.36 ? 25 HIS B CD2 1 ATOM 2703 C CE1 . HIS B 2 25 ? 14.057 20.265 141.316 1.00 60.44 ? 25 HIS B CE1 1 ATOM 2704 N NE2 . HIS B 2 25 ? 12.756 20.335 141.544 1.00 66.70 ? 25 HIS B NE2 1 ATOM 2705 N N . HIS B 2 26 ? 15.199 16.326 142.041 1.00 61.67 ? 26 HIS B N 1 ATOM 2706 C CA . HIS B 2 26 ? 15.278 16.108 143.478 1.00 61.28 ? 26 HIS B CA 1 ATOM 2707 C C . HIS B 2 26 ? 15.264 17.432 144.230 1.00 68.06 ? 26 HIS B C 1 ATOM 2708 O O . HIS B 2 26 ? 15.838 18.419 143.781 1.00 71.60 ? 26 HIS B O 1 ATOM 2709 C CB . HIS B 2 26 ? 16.522 15.292 143.837 1.00 59.39 ? 26 HIS B CB 1 ATOM 2710 C CG . HIS B 2 26 ? 17.796 16.077 143.796 1.00 59.15 ? 26 HIS B CG 1 ATOM 2711 N ND1 . HIS B 2 26 ? 18.265 16.676 142.648 1.00 67.91 ? 26 HIS B ND1 1 ATOM 2712 C CD2 . HIS B 2 26 ? 18.705 16.349 144.762 1.00 58.31 ? 26 HIS B CD2 1 ATOM 2713 C CE1 . HIS B 2 26 ? 19.405 17.291 142.909 1.00 72.66 ? 26 HIS B CE1 1 ATOM 2714 N NE2 . HIS B 2 26 ? 19.694 17.107 144.185 1.00 65.68 ? 26 HIS B NE2 1 ATOM 2715 N N . SER B 2 27 ? 14.591 17.444 145.373 1.00 69.31 ? 27 SER B N 1 ATOM 2716 C CA . SER B 2 27 ? 14.503 18.632 146.206 1.00 70.82 ? 27 SER B CA 1 ATOM 2717 C C . SER B 2 27 ? 14.755 18.266 147.660 1.00 71.91 ? 27 SER B C 1 ATOM 2718 O O . SER B 2 27 ? 13.890 17.693 148.321 1.00 87.33 ? 27 SER B O 1 ATOM 2719 C CB . SER B 2 27 ? 13.126 19.282 146.063 1.00 76.75 ? 27 SER B CB 1 ATOM 2720 O OG . SER B 2 27 ? 12.862 20.158 147.148 1.00 81.78 ? 27 SER B OG 1 ATOM 2721 N N . ASN B 2 28 ? 15.941 18.599 148.158 1.00 45.48 ? 28 ASN B N 1 ATOM 2722 C CA . ASN B 2 28 ? 16.309 18.230 149.519 1.00 44.75 ? 28 ASN B CA 1 ATOM 2723 C C . ASN B 2 28 ? 17.014 19.341 150.291 1.00 45.14 ? 28 ASN B C 1 ATOM 2724 O O . ASN B 2 28 ? 17.000 20.500 149.883 1.00 55.02 ? 28 ASN B O 1 ATOM 2725 C CB . ASN B 2 28 ? 17.166 16.963 149.511 1.00 50.95 ? 28 ASN B CB 1 ATOM 2726 C CG . ASN B 2 28 ? 18.575 17.208 148.998 1.00 49.33 ? 28 ASN B CG 1 ATOM 2727 O OD1 . ASN B 2 28 ? 18.834 18.173 148.276 1.00 61.04 ? 28 ASN B OD1 1 ATOM 2728 N ND2 . ASN B 2 28 ? 19.495 16.327 149.372 1.00 33.80 ? 28 ASN B ND2 1 ATOM 2729 N N . ASP B 2 29 ? 17.624 18.973 151.413 1.00 54.72 ? 29 ASP B N 1 ATOM 2730 C CA . ASP B 2 29 ? 18.305 19.935 152.273 1.00 67.59 ? 29 ASP B CA 1 ATOM 2731 C C . ASP B 2 29 ? 19.535 20.550 151.611 1.00 60.89 ? 29 ASP B C 1 ATOM 2732 O O . ASP B 2 29 ? 19.803 21.742 151.777 1.00 49.89 ? 29 ASP B O 1 ATOM 2733 C CB . ASP B 2 29 ? 18.684 19.292 153.611 1.00 87.13 ? 29 ASP B CB 1 ATOM 2734 C CG . ASP B 2 29 ? 18.560 17.780 153.588 1.00 104.49 ? 29 ASP B CG 1 ATOM 2735 O OD1 . ASP B 2 29 ? 17.461 17.267 153.893 1.00 110.86 ? 29 ASP B OD1 1 ATOM 2736 O OD2 . ASP B 2 29 ? 19.562 17.103 153.271 1.00 105.54 ? 29 ASP B OD2 1 ATOM 2737 N N . GLN B 2 30 ? 20.285 19.732 150.875 1.00 65.71 ? 30 GLN B N 1 ATOM 2738 C CA . GLN B 2 30 ? 21.449 20.218 150.137 1.00 72.88 ? 30 GLN B CA 1 ATOM 2739 C C . GLN B 2 30 ? 21.044 21.242 149.083 1.00 76.75 ? 30 GLN B C 1 ATOM 2740 O O . GLN B 2 30 ? 21.458 22.398 149.134 1.00 76.60 ? 30 GLN B O 1 ATOM 2741 C CB . GLN B 2 30 ? 22.203 19.063 149.472 1.00 66.20 ? 30 GLN B CB 1 ATOM 2742 C CG . GLN B 2 30 ? 23.324 18.476 150.316 1.00 57.05 ? 30 GLN B CG 1 ATOM 2743 C CD . GLN B 2 30 ? 22.957 17.141 150.931 1.00 63.21 ? 30 GLN B CD 1 ATOM 2744 O OE1 . GLN B 2 30 ? 21.816 16.924 151.343 1.00 74.55 ? 30 GLN B OE1 1 ATOM 2745 N NE2 . GLN B 2 30 ? 23.926 16.231 150.988 1.00 53.76 ? 30 GLN B NE2 1 ATOM 2746 N N . GLY B 2 31 ? 20.228 20.810 148.128 1.00 72.77 ? 31 GLY B N 1 ATOM 2747 C CA . GLY B 2 31 ? 19.772 21.692 147.072 1.00 76.38 ? 31 GLY B CA 1 ATOM 2748 C C . GLY B 2 31 ? 19.016 20.957 145.985 1.00 81.03 ? 31 GLY B C 1 ATOM 2749 O O . GLY B 2 31 ? 19.170 19.745 145.814 1.00 79.92 ? 31 GLY B O 1 ATOM 2750 N N . SER B 2 32 ? 18.194 21.696 145.248 1.00 84.24 ? 32 SER B N 1 ATOM 2751 C CA . SER B 2 32 ? 17.405 21.115 144.169 1.00 77.37 ? 32 SER B CA 1 ATOM 2752 C C . SER B 2 32 ? 18.192 21.074 142.860 1.00 70.36 ? 32 SER B C 1 ATOM 2753 O O . SER B 2 32 ? 19.325 21.555 142.791 1.00 62.59 ? 32 SER B O 1 ATOM 2754 C CB . SER B 2 32 ? 16.083 21.873 143.992 1.00 71.95 ? 32 SER B CB 1 ATOM 2755 O OG . SER B 2 32 ? 16.307 23.259 143.786 1.00 67.96 ? 32 SER B OG 1 ATOM 2756 N N . GLY B 2 33 ? 17.586 20.495 141.828 1.00 71.51 ? 33 GLY B N 1 ATOM 2757 C CA . GLY B 2 33 ? 18.237 20.364 140.537 1.00 73.17 ? 33 GLY B CA 1 ATOM 2758 C C . GLY B 2 33 ? 17.719 19.198 139.715 1.00 74.11 ? 33 GLY B C 1 ATOM 2759 O O . GLY B 2 33 ? 17.046 18.304 140.232 1.00 78.52 ? 33 GLY B O 1 ATOM 2760 N N . TYR B 2 34 ? 18.047 19.204 138.426 1.00 62.25 ? 34 TYR B N 1 ATOM 2761 C CA . TYR B 2 34 ? 17.608 18.157 137.512 1.00 52.40 ? 34 TYR B CA 1 ATOM 2762 C C . TYR B 2 34 ? 18.758 17.228 137.140 1.00 58.93 ? 34 TYR B C 1 ATOM 2763 O O . TYR B 2 34 ? 19.931 17.573 137.294 1.00 64.55 ? 34 TYR B O 1 ATOM 2764 C CB . TYR B 2 34 ? 17.020 18.774 136.242 1.00 43.34 ? 34 TYR B CB 1 ATOM 2765 C CG . TYR B 2 34 ? 15.849 19.699 136.484 1.00 48.17 ? 34 TYR B CG 1 ATOM 2766 C CD1 . TYR B 2 34 ? 14.832 19.350 137.359 1.00 59.75 ? 34 TYR B CD1 1 ATOM 2767 C CD2 . TYR B 2 34 ? 15.764 20.925 135.839 1.00 51.89 ? 34 TYR B CD2 1 ATOM 2768 C CE1 . TYR B 2 34 ? 13.757 20.193 137.581 1.00 65.49 ? 34 TYR B CE1 1 ATOM 2769 C CE2 . TYR B 2 34 ? 14.698 21.777 136.056 1.00 53.75 ? 34 TYR B CE2 1 ATOM 2770 C CZ . TYR B 2 34 ? 13.697 21.407 136.927 1.00 62.60 ? 34 TYR B CZ 1 ATOM 2771 O OH . TYR B 2 34 ? 12.636 22.253 137.143 1.00 62.73 ? 34 TYR B OH 1 ATOM 2772 N N . ALA B 2 35 ? 18.406 16.047 136.647 1.00 59.20 ? 35 ALA B N 1 ATOM 2773 C CA . ALA B 2 35 ? 19.382 15.078 136.169 1.00 66.66 ? 35 ALA B CA 1 ATOM 2774 C C . ALA B 2 35 ? 18.675 14.092 135.253 1.00 66.28 ? 35 ALA B C 1 ATOM 2775 O O . ALA B 2 35 ? 17.543 13.692 135.518 1.00 73.21 ? 35 ALA B O 1 ATOM 2776 C CB . ALA B 2 35 ? 20.032 14.352 137.335 1.00 77.27 ? 35 ALA B CB 1 ATOM 2777 N N . ALA B 2 36 ? 19.337 13.714 134.167 1.00 58.78 ? 36 ALA B N 1 ATOM 2778 C CA . ALA B 2 36 ? 18.732 12.834 133.177 1.00 53.91 ? 36 ALA B CA 1 ATOM 2779 C C . ALA B 2 36 ? 18.899 11.366 133.539 1.00 60.14 ? 36 ALA B C 1 ATOM 2780 O O . ALA B 2 36 ? 19.635 11.018 134.464 1.00 75.96 ? 36 ALA B O 1 ATOM 2781 C CB . ALA B 2 36 ? 19.321 13.099 131.807 1.00 52.24 ? 36 ALA B CB 1 ATOM 2782 N N . ASP B 2 37 ? 18.199 10.509 132.803 1.00 45.15 ? 37 ASP B N 1 ATOM 2783 C CA . ASP B 2 37 ? 18.401 9.070 132.897 1.00 54.69 ? 37 ASP B CA 1 ATOM 2784 C C . ASP B 2 37 ? 18.988 8.564 131.584 1.00 61.43 ? 37 ASP B C 1 ATOM 2785 O O . ASP B 2 37 ? 18.262 8.347 130.613 1.00 71.81 ? 37 ASP B O 1 ATOM 2786 C CB . ASP B 2 37 ? 17.088 8.350 133.210 1.00 58.39 ? 37 ASP B CB 1 ATOM 2787 C CG . ASP B 2 37 ? 17.289 6.876 133.502 1.00 67.64 ? 37 ASP B CG 1 ATOM 2788 O OD1 . ASP B 2 37 ? 18.373 6.512 134.005 1.00 81.61 ? 37 ASP B OD1 1 ATOM 2789 O OD2 . ASP B 2 37 ? 16.368 6.080 133.226 1.00 62.43 ? 37 ASP B OD2 1 ATOM 2790 N N . LYS B 2 38 ? 20.306 8.385 131.565 1.00 63.22 ? 38 LYS B N 1 ATOM 2791 C CA . LYS B 2 38 ? 21.025 8.037 130.343 1.00 67.93 ? 38 LYS B CA 1 ATOM 2792 C C . LYS B 2 38 ? 20.564 6.725 129.712 1.00 73.40 ? 38 LYS B C 1 ATOM 2793 O O . LYS B 2 38 ? 20.462 6.626 128.490 1.00 71.77 ? 38 LYS B O 1 ATOM 2794 C CB . LYS B 2 38 ? 22.533 7.989 130.601 1.00 76.83 ? 38 LYS B CB 1 ATOM 2795 C CG . LYS B 2 38 ? 23.183 9.349 130.809 1.00 82.55 ? 38 LYS B CG 1 ATOM 2796 C CD . LYS B 2 38 ? 24.679 9.209 131.040 1.00 86.02 ? 38 LYS B CD 1 ATOM 2797 C CE . LYS B 2 38 ? 25.349 8.463 129.891 1.00 83.46 ? 38 LYS B CE 1 ATOM 2798 N NZ . LYS B 2 38 ? 26.813 8.277 130.120 1.00 79.38 ? 38 LYS B NZ 1 ATOM 2799 N N . GLU B 2 39 ? 20.291 5.725 130.545 1.00 89.45 ? 39 GLU B N 1 ATOM 2800 C CA . GLU B 2 39 ? 19.864 4.416 130.058 1.00 91.10 ? 39 GLU B CA 1 ATOM 2801 C C . GLU B 2 39 ? 18.572 4.494 129.251 1.00 82.47 ? 39 GLU B C 1 ATOM 2802 O O . GLU B 2 39 ? 18.538 4.108 128.082 1.00 85.52 ? 39 GLU B O 1 ATOM 2803 C CB . GLU B 2 39 ? 19.687 3.435 131.221 1.00 104.82 ? 39 GLU B CB 1 ATOM 2804 C CG . GLU B 2 39 ? 19.190 2.058 130.797 1.00 119.04 ? 39 GLU B CG 1 ATOM 2805 C CD . GLU B 2 39 ? 17.829 1.716 131.379 1.00 122.18 ? 39 GLU B CD 1 ATOM 2806 O OE1 . GLU B 2 39 ? 17.602 2.007 132.573 1.00 127.17 ? 39 GLU B OE1 1 ATOM 2807 O OE2 . GLU B 2 39 ? 16.987 1.160 130.640 1.00 112.59 ? 39 GLU B OE2 1 ATOM 2808 N N . SER B 2 40 ? 17.514 4.996 129.881 1.00 64.98 ? 40 SER B N 1 ATOM 2809 C CA . SER B 2 40 ? 16.205 5.059 129.243 1.00 58.22 ? 40 SER B CA 1 ATOM 2810 C C . SER B 2 40 ? 16.215 5.980 128.028 1.00 62.12 ? 40 SER B C 1 ATOM 2811 O O . SER B 2 40 ? 15.635 5.654 126.993 1.00 78.21 ? 40 SER B O 1 ATOM 2812 C CB . SER B 2 40 ? 15.137 5.513 130.239 1.00 52.60 ? 40 SER B CB 1 ATOM 2813 O OG . SER B 2 40 ? 15.420 6.810 130.726 1.00 66.14 ? 40 SER B OG 1 ATOM 2814 N N . THR B 2 41 ? 16.879 7.124 128.156 1.00 38.17 ? 41 THR B N 1 ATOM 2815 C CA . THR B 2 41 ? 16.951 8.084 127.062 1.00 32.01 ? 41 THR B CA 1 ATOM 2816 C C . THR B 2 41 ? 17.687 7.509 125.855 1.00 37.06 ? 41 THR B C 1 ATOM 2817 O O . THR B 2 41 ? 17.207 7.616 124.727 1.00 46.96 ? 41 THR B O 1 ATOM 2818 C CB . THR B 2 41 ? 17.621 9.401 127.496 1.00 33.99 ? 41 THR B CB 1 ATOM 2819 O OG1 . THR B 2 41 ? 16.852 10.004 128.544 1.00 39.92 ? 41 THR B OG1 1 ATOM 2820 C CG2 . THR B 2 41 ? 17.704 10.367 126.325 1.00 26.82 ? 41 THR B CG2 1 ATOM 2821 N N . GLN B 2 42 ? 18.840 6.890 126.092 1.00 39.56 ? 42 GLN B N 1 ATOM 2822 C CA . GLN B 2 42 ? 19.634 6.345 124.994 1.00 43.08 ? 42 GLN B CA 1 ATOM 2823 C C . GLN B 2 42 ? 18.932 5.174 124.316 1.00 52.15 ? 42 GLN B C 1 ATOM 2824 O O . GLN B 2 42 ? 19.021 5.015 123.098 1.00 66.30 ? 42 GLN B O 1 ATOM 2825 C CB . GLN B 2 42 ? 21.026 5.923 125.462 1.00 48.32 ? 42 GLN B CB 1 ATOM 2826 C CG . GLN B 2 42 ? 22.008 5.702 124.322 1.00 59.74 ? 42 GLN B CG 1 ATOM 2827 C CD . GLN B 2 42 ? 22.276 6.975 123.540 1.00 69.11 ? 42 GLN B CD 1 ATOM 2828 O OE1 . GLN B 2 42 ? 22.329 8.064 124.110 1.00 77.13 ? 42 GLN B OE1 1 ATOM 2829 N NE2 . GLN B 2 42 ? 22.438 6.844 122.227 1.00 63.62 ? 42 GLN B NE2 1 ATOM 2830 N N . LYS B 2 43 ? 18.238 4.357 125.105 1.00 39.30 ? 43 LYS B N 1 ATOM 2831 C CA . LYS B 2 43 ? 17.464 3.250 124.553 1.00 37.55 ? 43 LYS B CA 1 ATOM 2832 C C . LYS B 2 43 ? 16.413 3.778 123.590 1.00 48.17 ? 43 LYS B C 1 ATOM 2833 O O . LYS B 2 43 ? 16.260 3.272 122.480 1.00 58.75 ? 43 LYS B O 1 ATOM 2834 C CB . LYS B 2 43 ? 16.788 2.440 125.661 1.00 40.29 ? 43 LYS B CB 1 ATOM 2835 C CG . LYS B 2 43 ? 17.706 1.461 126.370 1.00 62.23 ? 43 LYS B CG 1 ATOM 2836 C CD . LYS B 2 43 ? 16.901 0.465 127.198 1.00 73.99 ? 43 LYS B CD 1 ATOM 2837 C CE . LYS B 2 43 ? 16.843 -0.902 126.526 1.00 77.28 ? 43 LYS B CE 1 ATOM 2838 N NZ . LYS B 2 43 ? 16.306 -0.830 125.137 1.00 78.11 ? 43 LYS B NZ 1 ATOM 2839 N N . ALA B 2 44 ? 15.696 4.806 124.032 1.00 44.75 ? 44 ALA B N 1 ATOM 2840 C CA . ALA B 2 44 ? 14.665 5.441 123.224 1.00 33.26 ? 44 ALA B CA 1 ATOM 2841 C C . ALA B 2 44 ? 15.261 6.030 121.955 1.00 41.55 ? 44 ALA B C 1 ATOM 2842 O O . ALA B 2 44 ? 14.699 5.881 120.870 1.00 55.98 ? 44 ALA B O 1 ATOM 2843 C CB . ALA B 2 44 ? 13.959 6.519 124.026 1.00 30.90 ? 44 ALA B CB 1 ATOM 2844 N N . PHE B 2 45 ? 16.399 6.701 122.099 1.00 40.65 ? 45 PHE B N 1 ATOM 2845 C CA . PHE B 2 45 ? 17.060 7.331 120.963 1.00 42.44 ? 45 PHE B CA 1 ATOM 2846 C C . PHE B 2 45 ? 17.458 6.292 119.923 1.00 44.50 ? 45 PHE B C 1 ATOM 2847 O O . PHE B 2 45 ? 17.292 6.510 118.724 1.00 41.65 ? 45 PHE B O 1 ATOM 2848 C CB . PHE B 2 45 ? 18.291 8.120 121.414 1.00 35.21 ? 45 PHE B CB 1 ATOM 2849 C CG . PHE B 2 45 ? 18.836 9.043 120.361 1.00 41.12 ? 45 PHE B CG 1 ATOM 2850 C CD1 . PHE B 2 45 ? 18.233 10.265 120.118 1.00 38.53 ? 45 PHE B CD1 1 ATOM 2851 C CD2 . PHE B 2 45 ? 19.948 8.689 119.618 1.00 53.25 ? 45 PHE B CD2 1 ATOM 2852 C CE1 . PHE B 2 45 ? 18.726 11.118 119.153 1.00 43.69 ? 45 PHE B CE1 1 ATOM 2853 C CE2 . PHE B 2 45 ? 20.447 9.537 118.651 1.00 62.14 ? 45 PHE B CE2 1 ATOM 2854 C CZ . PHE B 2 45 ? 19.835 10.754 118.418 1.00 58.37 ? 45 PHE B CZ 1 ATOM 2855 N N . ASP B 2 46 ? 17.975 5.160 120.391 1.00 45.77 ? 46 ASP B N 1 ATOM 2856 C CA . ASP B 2 46 ? 18.405 4.093 119.496 1.00 55.43 ? 46 ASP B CA 1 ATOM 2857 C C . ASP B 2 46 ? 17.217 3.501 118.751 1.00 58.82 ? 46 ASP B C 1 ATOM 2858 O O . ASP B 2 46 ? 17.310 3.190 117.564 1.00 70.18 ? 46 ASP B O 1 ATOM 2859 C CB . ASP B 2 46 ? 19.146 2.999 120.268 1.00 67.52 ? 46 ASP B CB 1 ATOM 2860 C CG . ASP B 2 46 ? 20.470 3.479 120.834 1.00 81.30 ? 46 ASP B CG 1 ATOM 2861 O OD1 . ASP B 2 46 ? 20.980 4.519 120.360 1.00 83.39 ? 46 ASP B OD1 1 ATOM 2862 O OD2 . ASP B 2 46 ? 21.005 2.814 121.747 1.00 84.95 ? 46 ASP B OD2 1 ATOM 2863 N N . GLY B 2 47 ? 16.100 3.354 119.454 1.00 45.35 ? 47 GLY B N 1 ATOM 2864 C CA . GLY B 2 47 ? 14.888 2.828 118.857 1.00 45.77 ? 47 GLY B CA 1 ATOM 2865 C C . GLY B 2 47 ? 14.284 3.798 117.861 1.00 51.94 ? 47 GLY B C 1 ATOM 2866 O O . GLY B 2 47 ? 13.872 3.402 116.771 1.00 64.04 ? 47 GLY B O 1 ATOM 2867 N N . ILE B 2 48 ? 14.236 5.073 118.236 1.00 39.26 ? 48 ILE B N 1 ATOM 2868 C CA . ILE B 2 48 ? 13.672 6.106 117.373 1.00 28.15 ? 48 ILE B CA 1 ATOM 2869 C C . ILE B 2 48 ? 14.467 6.278 116.080 1.00 37.68 ? 48 ILE B C 1 ATOM 2870 O O . ILE B 2 48 ? 13.883 6.338 114.998 1.00 44.86 ? 48 ILE B O 1 ATOM 2871 C CB . ILE B 2 48 ? 13.549 7.461 118.100 1.00 28.77 ? 48 ILE B CB 1 ATOM 2872 C CG1 . ILE B 2 48 ? 12.359 7.441 119.059 1.00 28.45 ? 48 ILE B CG1 1 ATOM 2873 C CG2 . ILE B 2 48 ? 13.362 8.593 117.102 1.00 34.71 ? 48 ILE B CG2 1 ATOM 2874 C CD1 . ILE B 2 48 ? 11.017 7.394 118.362 1.00 25.69 ? 48 ILE B CD1 1 ATOM 2875 N N . THR B 2 49 ? 15.791 6.356 116.186 1.00 42.33 ? 49 THR B N 1 ATOM 2876 C CA . THR B 2 49 ? 16.623 6.467 114.990 1.00 44.77 ? 49 THR B CA 1 ATOM 2877 C C . THR B 2 49 ? 16.482 5.215 114.137 1.00 47.28 ? 49 THR B C 1 ATOM 2878 O O . THR B 2 49 ? 16.498 5.288 112.911 1.00 58.62 ? 49 THR B O 1 ATOM 2879 C CB . THR B 2 49 ? 18.114 6.716 115.312 1.00 48.23 ? 49 THR B CB 1 ATOM 2880 O OG1 . THR B 2 49 ? 18.620 5.650 116.124 1.00 63.85 ? 49 THR B OG1 1 ATOM 2881 C CG2 . THR B 2 49 ? 18.294 8.043 116.035 1.00 41.09 ? 49 THR B CG2 1 ATOM 2882 N N . ASN B 2 50 ? 16.321 4.070 114.793 1.00 37.43 ? 50 ASN B N 1 ATOM 2883 C CA . ASN B 2 50 ? 16.080 2.819 114.087 1.00 40.16 ? 50 ASN B CA 1 ATOM 2884 C C . ASN B 2 50 ? 14.717 2.833 113.407 1.00 35.91 ? 50 ASN B C 1 ATOM 2885 O O . ASN B 2 50 ? 14.489 2.110 112.437 1.00 48.26 ? 50 ASN B O 1 ATOM 2886 C CB . ASN B 2 50 ? 16.176 1.634 115.048 1.00 50.28 ? 50 ASN B CB 1 ATOM 2887 C CG . ASN B 2 50 ? 16.428 0.317 114.333 1.00 69.89 ? 50 ASN B CG 1 ATOM 2888 O OD1 . ASN B 2 50 ? 17.510 -0.262 114.443 1.00 76.28 ? 50 ASN B OD1 1 ATOM 2889 N ND2 . ASN B 2 50 ? 15.425 -0.167 113.607 1.00 71.62 ? 50 ASN B ND2 1 ATOM 2890 N N . LYS B 2 51 ? 13.813 3.661 113.921 1.00 25.53 ? 51 LYS B N 1 ATOM 2891 C CA . LYS B 2 51 ? 12.473 3.766 113.359 1.00 21.90 ? 51 LYS B CA 1 ATOM 2892 C C . LYS B 2 51 ? 12.483 4.583 112.080 1.00 29.12 ? 51 LYS B C 1 ATOM 2893 O O . LYS B 2 51 ? 11.992 4.129 111.046 1.00 36.79 ? 51 LYS B O 1 ATOM 2894 C CB . LYS B 2 51 ? 11.499 4.377 114.367 1.00 35.83 ? 51 LYS B CB 1 ATOM 2895 C CG . LYS B 2 51 ? 10.097 4.606 113.825 1.00 19.20 ? 51 LYS B CG 1 ATOM 2896 C CD . LYS B 2 51 ? 9.224 5.294 114.857 1.00 26.82 ? 51 LYS B CD 1 ATOM 2897 C CE . LYS B 2 51 ? 7.995 4.467 115.193 1.00 28.86 ? 51 LYS B CE 1 ATOM 2898 N NZ . LYS B 2 51 ? 7.407 4.859 116.512 1.00 37.49 ? 51 LYS B NZ 1 ATOM 2899 N N . VAL B 2 52 ? 13.040 5.788 112.147 1.00 41.66 ? 52 VAL B N 1 ATOM 2900 C CA . VAL B 2 52 ? 13.084 6.651 110.973 1.00 39.20 ? 52 VAL B CA 1 ATOM 2901 C C . VAL B 2 52 ? 14.018 6.084 109.908 1.00 49.26 ? 52 VAL B C 1 ATOM 2902 O O . VAL B 2 52 ? 13.833 6.343 108.722 1.00 65.58 ? 52 VAL B O 1 ATOM 2903 C CB . VAL B 2 52 ? 13.470 8.110 111.318 1.00 36.62 ? 52 VAL B CB 1 ATOM 2904 C CG1 . VAL B 2 52 ? 12.848 8.519 112.642 1.00 43.09 ? 52 VAL B CG1 1 ATOM 2905 C CG2 . VAL B 2 52 ? 14.980 8.281 111.353 1.00 38.13 ? 52 VAL B CG2 1 ATOM 2906 N N . ASN B 2 53 ? 15.006 5.298 110.331 1.00 45.50 ? 53 ASN B N 1 ATOM 2907 C CA . ASN B 2 53 ? 15.865 4.595 109.383 1.00 48.48 ? 53 ASN B CA 1 ATOM 2908 C C . ASN B 2 53 ? 15.106 3.468 108.706 1.00 43.31 ? 53 ASN B C 1 ATOM 2909 O O . ASN B 2 53 ? 15.435 3.069 107.594 1.00 44.27 ? 53 ASN B O 1 ATOM 2910 C CB . ASN B 2 53 ? 17.121 4.047 110.063 1.00 57.23 ? 53 ASN B CB 1 ATOM 2911 C CG . ASN B 2 53 ? 18.158 5.122 110.321 1.00 63.16 ? 53 ASN B CG 1 ATOM 2912 O OD1 . ASN B 2 53 ? 17.933 6.297 110.030 1.00 64.29 ? 53 ASN B OD1 1 ATOM 2913 N ND2 . ASN B 2 53 ? 19.296 4.727 110.880 1.00 66.43 ? 53 ASN B ND2 1 ATOM 2914 N N . SER B 2 54 ? 14.080 2.959 109.380 1.00 45.35 ? 54 SER B N 1 ATOM 2915 C CA . SER B 2 54 ? 13.268 1.892 108.810 1.00 48.18 ? 54 SER B CA 1 ATOM 2916 C C . SER B 2 54 ? 12.347 2.405 107.705 1.00 45.03 ? 54 SER B C 1 ATOM 2917 O O . SER B 2 54 ? 12.255 1.793 106.642 1.00 53.23 ? 54 SER B O 1 ATOM 2918 C CB . SER B 2 54 ? 12.463 1.169 109.894 1.00 51.41 ? 54 SER B CB 1 ATOM 2919 O OG . SER B 2 54 ? 13.310 0.374 110.711 1.00 58.87 ? 54 SER B OG 1 ATOM 2920 N N . VAL B 2 55 ? 11.675 3.529 107.944 1.00 23.77 ? 55 VAL B N 1 ATOM 2921 C CA . VAL B 2 55 ? 10.734 4.059 106.958 1.00 24.00 ? 55 VAL B CA 1 ATOM 2922 C C . VAL B 2 55 ? 11.449 4.750 105.802 1.00 29.59 ? 55 VAL B C 1 ATOM 2923 O O . VAL B 2 55 ? 10.846 5.034 104.767 1.00 29.39 ? 55 VAL B O 1 ATOM 2924 C CB . VAL B 2 55 ? 9.715 5.039 107.579 1.00 25.49 ? 55 VAL B CB 1 ATOM 2925 C CG1 . VAL B 2 55 ? 9.311 4.570 108.963 1.00 36.54 ? 55 VAL B CG1 1 ATOM 2926 C CG2 . VAL B 2 55 ? 10.287 6.449 107.630 1.00 29.28 ? 55 VAL B CG2 1 ATOM 2927 N N . ILE B 2 56 ? 12.737 5.016 105.980 1.00 37.95 ? 56 ILE B N 1 ATOM 2928 C CA . ILE B 2 56 ? 13.519 5.656 104.931 1.00 41.63 ? 56 ILE B CA 1 ATOM 2929 C C . ILE B 2 56 ? 14.342 4.651 104.130 1.00 41.82 ? 56 ILE B C 1 ATOM 2930 O O . ILE B 2 56 ? 14.254 4.613 102.904 1.00 41.60 ? 56 ILE B O 1 ATOM 2931 C CB . ILE B 2 56 ? 14.434 6.756 105.495 1.00 35.02 ? 56 ILE B CB 1 ATOM 2932 C CG1 . ILE B 2 56 ? 13.589 7.931 105.990 1.00 32.39 ? 56 ILE B CG1 1 ATOM 2933 C CG2 . ILE B 2 56 ? 15.417 7.224 104.434 1.00 29.83 ? 56 ILE B CG2 1 ATOM 2934 C CD1 . ILE B 2 56 ? 14.378 8.995 106.717 1.00 41.57 ? 56 ILE B CD1 1 ATOM 2935 N N . GLU B 2 57 ? 15.124 3.827 104.821 1.00 36.89 ? 57 GLU B N 1 ATOM 2936 C CA . GLU B 2 57 ? 16.046 2.919 104.143 1.00 47.66 ? 57 GLU B CA 1 ATOM 2937 C C . GLU B 2 57 ? 15.367 1.729 103.460 1.00 42.85 ? 57 GLU B C 1 ATOM 2938 O O . GLU B 2 57 ? 15.944 1.118 102.558 1.00 46.60 ? 57 GLU B O 1 ATOM 2939 C CB . GLU B 2 57 ? 17.138 2.432 105.103 1.00 66.56 ? 57 GLU B CB 1 ATOM 2940 C CG . GLU B 2 57 ? 18.021 3.547 105.654 1.00 81.83 ? 57 GLU B CG 1 ATOM 2941 C CD . GLU B 2 57 ? 19.096 3.038 106.599 1.00 93.97 ? 57 GLU B CD 1 ATOM 2942 O OE1 . GLU B 2 57 ? 19.202 1.806 106.776 1.00 98.85 ? 57 GLU B OE1 1 ATOM 2943 O OE2 . GLU B 2 57 ? 19.834 3.872 107.166 1.00 94.63 ? 57 GLU B OE2 1 ATOM 2944 N N . LYS B 2 58 ? 14.146 1.407 103.877 1.00 35.27 ? 58 LYS B N 1 ATOM 2945 C CA . LYS B 2 58 ? 13.449 0.240 103.335 1.00 40.18 ? 58 LYS B CA 1 ATOM 2946 C C . LYS B 2 58 ? 12.737 0.532 102.013 1.00 48.39 ? 58 LYS B C 1 ATOM 2947 O O . LYS B 2 58 ? 12.134 -0.360 101.415 1.00 48.61 ? 58 LYS B O 1 ATOM 2948 C CB . LYS B 2 58 ? 12.459 -0.334 104.356 1.00 31.70 ? 58 LYS B CB 1 ATOM 2949 C CG . LYS B 2 58 ? 12.780 -1.756 104.796 1.00 31.73 ? 58 LYS B CG 1 ATOM 2950 C CD . LYS B 2 58 ? 13.347 -1.790 106.208 1.00 42.51 ? 58 LYS B CD 1 ATOM 2951 C CE . LYS B 2 58 ? 14.417 -2.871 106.369 1.00 49.05 ? 58 LYS B CE 1 ATOM 2952 N NZ . LYS B 2 58 ? 13.909 -4.252 106.124 1.00 51.42 ? 58 LYS B NZ 1 ATOM 2953 N N . MET B 2 59 ? 12.805 1.782 101.565 1.00 53.85 ? 59 MET B N 1 ATOM 2954 C CA . MET B 2 59 ? 12.191 2.179 100.301 1.00 55.57 ? 59 MET B CA 1 ATOM 2955 C C . MET B 2 59 ? 13.040 1.737 99.115 1.00 62.11 ? 59 MET B C 1 ATOM 2956 O O . MET B 2 59 ? 14.260 1.918 99.109 1.00 61.35 ? 59 MET B O 1 ATOM 2957 C CB . MET B 2 59 ? 11.977 3.693 100.253 1.00 57.42 ? 59 MET B CB 1 ATOM 2958 C CG . MET B 2 59 ? 11.509 4.210 98.901 1.00 22.98 ? 59 MET B CG 1 ATOM 2959 S SD . MET B 2 59 ? 9.896 3.561 98.425 1.00 48.82 ? 59 MET B SD 1 ATOM 2960 C CE . MET B 2 59 ? 8.851 4.339 99.651 1.00 39.81 ? 59 MET B CE 1 ATOM 2961 N N . ASN B 2 60 ? 12.386 1.163 98.109 1.00 66.98 ? 60 ASN B N 1 ATOM 2962 C CA . ASN B 2 60 ? 13.084 0.666 96.929 1.00 73.51 ? 60 ASN B CA 1 ATOM 2963 C C . ASN B 2 60 ? 13.495 1.778 95.966 1.00 82.84 ? 60 ASN B C 1 ATOM 2964 O O . ASN B 2 60 ? 12.801 2.786 95.828 1.00 89.09 ? 60 ASN B O 1 ATOM 2965 C CB . ASN B 2 60 ? 12.232 -0.373 96.207 1.00 68.02 ? 60 ASN B CB 1 ATOM 2966 C CG . ASN B 2 60 ? 13.005 -1.632 95.887 1.00 76.32 ? 60 ASN B CG 1 ATOM 2967 O OD1 . ASN B 2 60 ? 13.834 -2.083 96.678 1.00 75.17 ? 60 ASN B OD1 1 ATOM 2968 N ND2 . ASN B 2 60 ? 12.744 -2.206 94.719 1.00 85.09 ? 60 ASN B ND2 1 ATOM 2969 N N . THR B 2 61 ? 14.625 1.583 95.295 1.00 88.42 ? 61 THR B N 1 ATOM 2970 C CA . THR B 2 61 ? 15.206 2.622 94.452 1.00 88.29 ? 61 THR B CA 1 ATOM 2971 C C . THR B 2 61 ? 14.507 2.717 93.102 1.00 75.76 ? 61 THR B C 1 ATOM 2972 O O . THR B 2 61 ? 13.633 3.565 92.905 1.00 85.43 ? 61 THR B O 1 ATOM 2973 C CB . THR B 2 61 ? 16.703 2.364 94.210 1.00 106.87 ? 61 THR B CB 1 ATOM 2974 O OG1 . THR B 2 61 ? 17.293 1.816 95.395 1.00 115.59 ? 61 THR B OG1 1 ATOM 2975 C CG2 . THR B 2 61 ? 17.410 3.657 93.847 1.00 106.12 ? 61 THR B CG2 1 ATOM 2976 N N . GLN B 2 62 ? 14.919 1.851 92.177 1.00 55.44 ? 62 GLN B N 1 ATOM 2977 C CA . GLN B 2 62 ? 14.291 1.720 90.860 1.00 59.44 ? 62 GLN B CA 1 ATOM 2978 C C . GLN B 2 62 ? 14.438 2.964 89.980 1.00 57.11 ? 62 GLN B C 1 ATOM 2979 O O . GLN B 2 62 ? 13.678 3.928 90.114 1.00 67.49 ? 62 GLN B O 1 ATOM 2980 C CB . GLN B 2 62 ? 12.811 1.339 91.005 1.00 64.87 ? 62 GLN B CB 1 ATOM 2981 C CG . GLN B 2 62 ? 12.360 0.199 90.114 1.00 65.27 ? 62 GLN B CG 1 ATOM 2982 C CD . GLN B 2 62 ? 13.102 -1.097 90.393 1.00 82.18 ? 62 GLN B CD 1 ATOM 2983 O OE1 . GLN B 2 62 ? 12.888 -1.745 91.419 1.00 87.57 ? 62 GLN B OE1 1 ATOM 2984 N NE2 . GLN B 2 62 ? 13.978 -1.485 89.472 1.00 88.20 ? 62 GLN B NE2 1 ATOM 2985 N N . PHE B 2 63 ? 15.419 2.933 89.081 1.00 44.12 ? 63 PHE B N 1 ATOM 2986 C CA . PHE B 2 63 ? 15.597 3.997 88.094 1.00 45.95 ? 63 PHE B CA 1 ATOM 2987 C C . PHE B 2 63 ? 14.468 3.958 87.079 1.00 44.79 ? 63 PHE B C 1 ATOM 2988 O O . PHE B 2 63 ? 14.267 2.948 86.406 1.00 52.94 ? 63 PHE B O 1 ATOM 2989 C CB . PHE B 2 63 ? 16.934 3.841 87.358 1.00 49.10 ? 63 PHE B CB 1 ATOM 2990 C CG . PHE B 2 63 ? 17.037 4.663 86.093 1.00 48.18 ? 63 PHE B CG 1 ATOM 2991 C CD1 . PHE B 2 63 ? 17.441 5.984 86.146 1.00 55.70 ? 63 PHE B CD1 1 ATOM 2992 C CD2 . PHE B 2 63 ? 16.734 4.114 84.853 1.00 46.93 ? 63 PHE B CD2 1 ATOM 2993 C CE1 . PHE B 2 63 ? 17.535 6.748 84.993 1.00 49.00 ? 63 PHE B CE1 1 ATOM 2994 C CE2 . PHE B 2 63 ? 16.828 4.873 83.699 1.00 43.97 ? 63 PHE B CE2 1 ATOM 2995 C CZ . PHE B 2 63 ? 17.228 6.192 83.770 1.00 39.91 ? 63 PHE B CZ 1 ATOM 2996 N N . GLU B 2 64 ? 13.734 5.058 86.964 1.00 38.07 ? 64 GLU B N 1 ATOM 2997 C CA . GLU B 2 64 ? 12.680 5.156 85.962 1.00 36.38 ? 64 GLU B CA 1 ATOM 2998 C C . GLU B 2 64 ? 12.705 6.514 85.272 1.00 38.98 ? 64 GLU B C 1 ATOM 2999 O O . GLU B 2 64 ? 13.358 7.448 85.736 1.00 44.59 ? 64 GLU B O 1 ATOM 3000 C CB . GLU B 2 64 ? 11.300 4.901 86.582 1.00 27.52 ? 64 GLU B CB 1 ATOM 3001 C CG . GLU B 2 64 ? 11.129 3.532 87.248 1.00 45.27 ? 64 GLU B CG 1 ATOM 3002 C CD . GLU B 2 64 ? 11.092 2.368 86.257 1.00 73.16 ? 64 GLU B CD 1 ATOM 3003 O OE1 . GLU B 2 64 ? 11.075 2.609 85.029 1.00 86.43 ? 64 GLU B OE1 1 ATOM 3004 O OE2 . GLU B 2 64 ? 11.076 1.204 86.712 1.00 72.09 ? 64 GLU B OE2 1 ATOM 3005 N N . ALA B 2 65 ? 11.989 6.616 84.159 1.00 39.14 ? 65 ALA B N 1 ATOM 3006 C CA . ALA B 2 65 ? 11.905 7.864 83.418 1.00 41.98 ? 65 ALA B CA 1 ATOM 3007 C C . ALA B 2 65 ? 10.450 8.199 83.118 1.00 40.82 ? 65 ALA B C 1 ATOM 3008 O O . ALA B 2 65 ? 9.843 7.613 82.221 1.00 44.07 ? 65 ALA B O 1 ATOM 3009 C CB . ALA B 2 65 ? 12.704 7.765 82.130 1.00 50.36 ? 65 ALA B CB 1 ATOM 3010 N N . VAL B 2 66 ? 9.894 9.138 83.877 1.00 38.59 ? 66 VAL B N 1 ATOM 3011 C CA . VAL B 2 66 ? 8.498 9.532 83.714 1.00 45.96 ? 66 VAL B CA 1 ATOM 3012 C C . VAL B 2 66 ? 8.353 10.586 82.626 1.00 55.67 ? 66 VAL B C 1 ATOM 3013 O O . VAL B 2 66 ? 9.055 11.597 82.630 1.00 63.22 ? 66 VAL B O 1 ATOM 3014 C CB . VAL B 2 66 ? 7.916 10.106 85.018 1.00 44.80 ? 66 VAL B CB 1 ATOM 3015 C CG1 . VAL B 2 66 ? 6.428 10.379 84.852 1.00 45.15 ? 66 VAL B CG1 1 ATOM 3016 C CG2 . VAL B 2 66 ? 8.169 9.159 86.178 1.00 26.85 ? 66 VAL B CG2 1 ATOM 3017 N N . GLY B 2 67 ? 7.434 10.352 81.698 1.00 58.49 ? 67 GLY B N 1 ATOM 3018 C CA . GLY B 2 67 ? 7.248 11.254 80.580 1.00 58.59 ? 67 GLY B CA 1 ATOM 3019 C C . GLY B 2 67 ? 6.097 10.836 79.691 1.00 57.54 ? 67 GLY B C 1 ATOM 3020 O O . GLY B 2 67 ? 5.410 9.851 79.961 1.00 63.38 ? 67 GLY B O 1 ATOM 3021 N N . LYS B 2 68 ? 5.894 11.591 78.618 1.00 78.40 ? 68 LYS B N 1 ATOM 3022 C CA . LYS B 2 68 ? 4.757 11.379 77.730 1.00 89.73 ? 68 LYS B CA 1 ATOM 3023 C C . LYS B 2 68 ? 4.962 10.192 76.793 1.00 96.29 ? 68 LYS B C 1 ATOM 3024 O O . LYS B 2 68 ? 4.176 9.243 76.802 1.00 105.74 ? 68 LYS B O 1 ATOM 3025 C CB . LYS B 2 68 ? 4.467 12.647 76.923 1.00 84.50 ? 68 LYS B CB 1 ATOM 3026 C CG . LYS B 2 68 ? 4.121 13.842 77.786 1.00 86.19 ? 68 LYS B CG 1 ATOM 3027 C CD . LYS B 2 68 ? 3.078 13.470 78.832 1.00 90.73 ? 68 LYS B CD 1 ATOM 3028 C CE . LYS B 2 68 ? 2.855 14.603 79.822 1.00 94.89 ? 68 LYS B CE 1 ATOM 3029 N NZ . LYS B 2 68 ? 1.828 14.258 80.844 1.00 91.42 ? 68 LYS B NZ 1 ATOM 3030 N N . GLU B 2 69 ? 6.009 10.275 75.974 1.00 78.36 ? 69 GLU B N 1 ATOM 3031 C CA . GLU B 2 69 ? 6.406 9.227 75.023 1.00 71.49 ? 69 GLU B CA 1 ATOM 3032 C C . GLU B 2 69 ? 5.310 8.667 74.096 1.00 62.82 ? 69 GLU B C 1 ATOM 3033 O O . GLU B 2 69 ? 5.557 7.729 73.338 1.00 57.65 ? 69 GLU B O 1 ATOM 3034 C CB . GLU B 2 69 ? 7.154 8.090 75.734 1.00 78.43 ? 69 GLU B CB 1 ATOM 3035 C CG . GLU B 2 69 ? 6.270 6.976 76.275 1.00 90.47 ? 69 GLU B CG 1 ATOM 3036 C CD . GLU B 2 69 ? 7.059 5.920 77.023 1.00 101.18 ? 69 GLU B CD 1 ATOM 3037 O OE1 . GLU B 2 69 ? 8.306 5.952 76.947 1.00 103.89 ? 69 GLU B OE1 1 ATOM 3038 O OE2 . GLU B 2 69 ? 6.435 5.067 77.692 1.00 102.63 ? 69 GLU B OE2 1 ATOM 3039 N N . PHE B 2 70 ? 4.113 9.245 74.141 1.00 60.59 ? 70 PHE B N 1 ATOM 3040 C CA . PHE B 2 70 ? 3.009 8.791 73.294 1.00 45.95 ? 70 PHE B CA 1 ATOM 3041 C C . PHE B 2 70 ? 2.371 9.943 72.526 1.00 48.93 ? 70 PHE B C 1 ATOM 3042 O O . PHE B 2 70 ? 1.908 10.917 73.119 1.00 47.25 ? 70 PHE B O 1 ATOM 3043 C CB . PHE B 2 70 ? 1.945 8.069 74.121 1.00 45.36 ? 70 PHE B CB 1 ATOM 3044 C CG . PHE B 2 70 ? 2.347 6.691 74.552 1.00 55.28 ? 70 PHE B CG 1 ATOM 3045 C CD1 . PHE B 2 70 ? 2.585 5.702 73.611 1.00 53.28 ? 70 PHE B CD1 1 ATOM 3046 C CD2 . PHE B 2 70 ? 2.473 6.378 75.895 1.00 55.07 ? 70 PHE B CD2 1 ATOM 3047 C CE1 . PHE B 2 70 ? 2.954 4.431 74.001 1.00 52.77 ? 70 PHE B CE1 1 ATOM 3048 C CE2 . PHE B 2 70 ? 2.841 5.107 76.292 1.00 53.84 ? 70 PHE B CE2 1 ATOM 3049 C CZ . PHE B 2 70 ? 3.081 4.131 75.344 1.00 54.16 ? 70 PHE B CZ 1 ATOM 3050 N N . SER B 2 71 ? 2.340 9.815 71.203 1.00 56.59 ? 71 SER B N 1 ATOM 3051 C CA . SER B 2 71 ? 1.832 10.867 70.328 1.00 60.80 ? 71 SER B CA 1 ATOM 3052 C C . SER B 2 71 ? 0.316 11.011 70.395 1.00 61.00 ? 71 SER B C 1 ATOM 3053 O O . SER B 2 71 ? -0.353 10.338 71.179 1.00 59.45 ? 71 SER B O 1 ATOM 3054 C CB . SER B 2 71 ? 2.245 10.590 68.883 1.00 61.78 ? 71 SER B CB 1 ATOM 3055 O OG . SER B 2 71 ? 1.596 9.429 68.392 1.00 52.36 ? 71 SER B OG 1 ATOM 3056 N N . ASN B 2 72 ? -0.216 11.893 69.554 1.00 73.79 ? 72 ASN B N 1 ATOM 3057 C CA . ASN B 2 72 ? -1.658 12.093 69.453 1.00 77.26 ? 72 ASN B CA 1 ATOM 3058 C C . ASN B 2 72 ? -2.317 11.038 68.573 1.00 69.99 ? 72 ASN B C 1 ATOM 3059 O O . ASN B 2 72 ? -3.543 10.944 68.511 1.00 61.93 ? 72 ASN B O 1 ATOM 3060 C CB . ASN B 2 72 ? -1.978 13.498 68.938 1.00 81.93 ? 72 ASN B CB 1 ATOM 3061 C CG . ASN B 2 72 ? -1.613 13.682 67.477 1.00 87.40 ? 72 ASN B CG 1 ATOM 3062 O OD1 . ASN B 2 72 ? -0.655 13.086 66.980 1.00 95.59 ? 72 ASN B OD1 1 ATOM 3063 N ND2 . ASN B 2 72 ? -2.379 14.512 66.779 1.00 82.99 ? 72 ASN B ND2 1 ATOM 3064 N N . LEU B 2 73 ? -1.491 10.252 67.890 1.00 66.90 ? 73 LEU B N 1 ATOM 3065 C CA . LEU B 2 73 ? -1.974 9.095 67.154 1.00 70.29 ? 73 LEU B CA 1 ATOM 3066 C C . LEU B 2 73 ? -2.527 8.092 68.154 1.00 61.87 ? 73 LEU B C 1 ATOM 3067 O O . LEU B 2 73 ? -3.494 7.386 67.875 1.00 42.08 ? 73 LEU B O 1 ATOM 3068 C CB . LEU B 2 73 ? -0.834 8.446 66.366 1.00 83.75 ? 73 LEU B CB 1 ATOM 3069 C CG . LEU B 2 73 ? -0.005 9.347 65.445 1.00 83.89 ? 73 LEU B CG 1 ATOM 3070 C CD1 . LEU B 2 73 ? 1.178 8.581 64.866 1.00 72.42 ? 73 LEU B CD1 1 ATOM 3071 C CD2 . LEU B 2 73 ? -0.877 9.918 64.336 1.00 77.76 ? 73 LEU B CD2 1 ATOM 3072 N N . GLU B 2 74 ? -1.895 8.039 69.324 1.00 51.40 ? 74 GLU B N 1 ATOM 3073 C CA . GLU B 2 74 ? -2.268 7.098 70.371 1.00 53.76 ? 74 GLU B CA 1 ATOM 3074 C C . GLU B 2 74 ? -2.663 7.823 71.652 1.00 60.63 ? 74 GLU B C 1 ATOM 3075 O O . GLU B 2 74 ? -1.839 8.028 72.539 1.00 56.22 ? 74 GLU B O 1 ATOM 3076 C CB . GLU B 2 74 ? -1.105 6.154 70.676 1.00 57.90 ? 74 GLU B CB 1 ATOM 3077 C CG . GLU B 2 74 ? -0.372 5.637 69.453 1.00 60.26 ? 74 GLU B CG 1 ATOM 3078 C CD . GLU B 2 74 ? 1.105 5.981 69.475 1.00 54.62 ? 74 GLU B CD 1 ATOM 3079 O OE1 . GLU B 2 74 ? 1.494 6.910 70.215 1.00 45.94 ? 74 GLU B OE1 1 ATOM 3080 O OE2 . GLU B 2 74 ? 1.879 5.318 68.756 1.00 56.38 ? 74 GLU B OE2 1 ATOM 3081 N N . ARG B 2 75 ? -3.930 8.199 71.750 1.00 53.75 ? 75 ARG B N 1 ATOM 3082 C CA . ARG B 2 75 ? -4.430 8.870 72.940 1.00 46.87 ? 75 ARG B CA 1 ATOM 3083 C C . ARG B 2 75 ? -4.956 7.867 73.959 1.00 37.39 ? 75 ARG B C 1 ATOM 3084 O O . ARG B 2 75 ? -5.194 8.212 75.115 1.00 38.23 ? 75 ARG B O 1 ATOM 3085 C CB . ARG B 2 75 ? -5.513 9.878 72.562 1.00 53.94 ? 75 ARG B CB 1 ATOM 3086 C CG . ARG B 2 75 ? -4.964 11.166 71.977 1.00 78.30 ? 75 ARG B CG 1 ATOM 3087 C CD . ARG B 2 75 ? -4.827 12.234 73.051 1.00 98.74 ? 75 ARG B CD 1 ATOM 3088 N NE . ARG B 2 75 ? -3.850 13.262 72.701 1.00 111.50 ? 75 ARG B NE 1 ATOM 3089 C CZ . ARG B 2 75 ? -4.063 14.237 71.821 1.00 118.51 ? 75 ARG B CZ 1 ATOM 3090 N NH1 . ARG B 2 75 ? -5.223 14.319 71.181 1.00 120.73 ? 75 ARG B NH1 1 ATOM 3091 N NH2 . ARG B 2 75 ? -3.112 15.127 71.577 1.00 118.03 ? 75 ARG B NH2 1 ATOM 3092 N N . ARG B 2 76 ? -5.133 6.623 73.523 1.00 36.13 ? 76 ARG B N 1 ATOM 3093 C CA . ARG B 2 76 ? -5.591 5.563 74.412 1.00 33.79 ? 76 ARG B CA 1 ATOM 3094 C C . ARG B 2 76 ? -4.436 5.085 75.277 1.00 34.82 ? 76 ARG B C 1 ATOM 3095 O O . ARG B 2 76 ? -4.610 4.774 76.457 1.00 43.86 ? 76 ARG B O 1 ATOM 3096 C CB . ARG B 2 76 ? -6.168 4.394 73.612 1.00 29.44 ? 76 ARG B CB 1 ATOM 3097 C CG . ARG B 2 76 ? -7.471 4.708 72.887 1.00 27.10 ? 76 ARG B CG 1 ATOM 3098 C CD . ARG B 2 76 ? -7.896 3.537 72.018 1.00 22.28 ? 76 ARG B CD 1 ATOM 3099 N NE . ARG B 2 76 ? -6.860 3.184 71.053 1.00 26.20 ? 76 ARG B NE 1 ATOM 3100 C CZ . ARG B 2 76 ? -6.726 1.978 70.510 1.00 35.04 ? 76 ARG B CZ 1 ATOM 3101 N NH1 . ARG B 2 76 ? -7.556 0.998 70.844 1.00 40.08 ? 76 ARG B NH1 1 ATOM 3102 N NH2 . ARG B 2 76 ? -5.754 1.746 69.637 1.00 42.00 ? 76 ARG B NH2 1 ATOM 3103 N N . LEU B 2 77 ? -3.253 5.036 74.675 1.00 33.51 ? 77 LEU B N 1 ATOM 3104 C CA . LEU B 2 77 ? -2.050 4.631 75.385 1.00 39.93 ? 77 LEU B CA 1 ATOM 3105 C C . LEU B 2 77 ? -1.574 5.743 76.321 1.00 43.71 ? 77 LEU B C 1 ATOM 3106 O O . LEU B 2 77 ? -0.990 5.468 77.370 1.00 43.16 ? 77 LEU B O 1 ATOM 3107 C CB . LEU B 2 77 ? -0.946 4.218 74.405 1.00 39.32 ? 77 LEU B CB 1 ATOM 3108 C CG . LEU B 2 77 ? -1.119 2.878 73.673 1.00 42.37 ? 77 LEU B CG 1 ATOM 3109 C CD1 . LEU B 2 77 ? -2.010 3.003 72.439 1.00 53.68 ? 77 LEU B CD1 1 ATOM 3110 C CD2 . LEU B 2 77 ? 0.235 2.292 73.300 1.00 41.21 ? 77 LEU B CD2 1 ATOM 3111 N N . GLU B 2 78 ? -1.830 6.993 75.936 1.00 45.80 ? 78 GLU B N 1 ATOM 3112 C CA . GLU B 2 78 ? -1.606 8.131 76.824 1.00 39.29 ? 78 GLU B CA 1 ATOM 3113 C C . GLU B 2 78 ? -2.449 7.957 78.077 1.00 38.67 ? 78 GLU B C 1 ATOM 3114 O O . GLU B 2 78 ? -1.938 7.997 79.198 1.00 42.24 ? 78 GLU B O 1 ATOM 3115 C CB . GLU B 2 78 ? -1.989 9.449 76.141 1.00 45.99 ? 78 GLU B CB 1 ATOM 3116 C CG . GLU B 2 78 ? -0.838 10.204 75.490 1.00 70.49 ? 78 GLU B CG 1 ATOM 3117 C CD . GLU B 2 78 ? -1.252 11.582 74.992 1.00 82.05 ? 78 GLU B CD 1 ATOM 3118 O OE1 . GLU B 2 78 ? -0.500 12.179 74.192 1.00 85.44 ? 78 GLU B OE1 1 ATOM 3119 O OE2 . GLU B 2 78 ? -2.327 12.070 75.403 1.00 84.11 ? 78 GLU B OE2 1 ATOM 3120 N N . ASN B 2 79 ? -3.748 7.756 77.871 1.00 34.30 ? 79 ASN B N 1 ATOM 3121 C CA . ASN B 2 79 ? -4.699 7.584 78.961 1.00 31.39 ? 79 ASN B CA 1 ATOM 3122 C C . ASN B 2 79 ? -4.339 6.395 79.846 1.00 45.74 ? 79 ASN B C 1 ATOM 3123 O O . ASN B 2 79 ? -4.557 6.426 81.058 1.00 54.74 ? 79 ASN B O 1 ATOM 3124 C CB . ASN B 2 79 ? -6.116 7.440 78.400 1.00 32.17 ? 79 ASN B CB 1 ATOM 3125 C CG . ASN B 2 79 ? -7.156 7.208 79.479 1.00 43.88 ? 79 ASN B CG 1 ATOM 3126 O OD1 . ASN B 2 79 ? -7.691 6.108 79.612 1.00 48.12 ? 79 ASN B OD1 1 ATOM 3127 N ND2 . ASN B 2 79 ? -7.453 8.247 80.253 1.00 54.98 ? 79 ASN B ND2 1 ATOM 3128 N N . LEU B 2 80 ? -3.778 5.355 79.235 1.00 41.53 ? 80 LEU B N 1 ATOM 3129 C CA . LEU B 2 80 ? -3.311 4.192 79.981 1.00 32.26 ? 80 LEU B CA 1 ATOM 3130 C C . LEU B 2 80 ? -2.172 4.604 80.907 1.00 29.05 ? 80 LEU B C 1 ATOM 3131 O O . LEU B 2 80 ? -2.208 4.329 82.106 1.00 34.07 ? 80 LEU B O 1 ATOM 3132 C CB . LEU B 2 80 ? -2.841 3.089 79.030 1.00 29.24 ? 80 LEU B CB 1 ATOM 3133 C CG . LEU B 2 80 ? -3.152 1.632 79.395 1.00 25.96 ? 80 LEU B CG 1 ATOM 3134 C CD1 . LEU B 2 80 ? -2.119 0.693 78.770 1.00 16.54 ? 80 LEU B CD1 1 ATOM 3135 C CD2 . LEU B 2 80 ? -3.232 1.425 80.901 1.00 20.45 ? 80 LEU B CD2 1 ATOM 3136 N N . ASN B 2 81 ? -1.167 5.266 80.341 1.00 29.01 ? 81 ASN B N 1 ATOM 3137 C CA . ASN B 2 81 ? -0.034 5.771 81.109 1.00 27.48 ? 81 ASN B CA 1 ATOM 3138 C C . ASN B 2 81 ? -0.489 6.695 82.240 1.00 36.13 ? 81 ASN B C 1 ATOM 3139 O O . ASN B 2 81 ? 0.073 6.671 83.336 1.00 28.87 ? 81 ASN B O 1 ATOM 3140 C CB . ASN B 2 81 ? 0.944 6.498 80.180 1.00 21.84 ? 81 ASN B CB 1 ATOM 3141 C CG . ASN B 2 81 ? 2.273 6.807 80.844 1.00 38.47 ? 81 ASN B CG 1 ATOM 3142 O OD1 . ASN B 2 81 ? 3.166 5.961 80.897 1.00 50.03 ? 81 ASN B OD1 1 ATOM 3143 N ND2 . ASN B 2 81 ? 2.416 8.031 81.340 1.00 46.71 ? 81 ASN B ND2 1 ATOM 3144 N N . LYS B 2 82 ? -1.522 7.491 81.972 1.00 40.93 ? 82 LYS B N 1 ATOM 3145 C CA . LYS B 2 82 ? -2.059 8.420 82.964 1.00 37.65 ? 82 LYS B CA 1 ATOM 3146 C C . LYS B 2 82 ? -2.778 7.692 84.099 1.00 35.10 ? 82 LYS B C 1 ATOM 3147 O O . LYS B 2 82 ? -2.624 8.055 85.265 1.00 50.70 ? 82 LYS B O 1 ATOM 3148 C CB . LYS B 2 82 ? -2.996 9.436 82.306 1.00 49.14 ? 82 LYS B CB 1 ATOM 3149 C CG . LYS B 2 82 ? -3.584 10.463 83.267 1.00 61.98 ? 82 LYS B CG 1 ATOM 3150 C CD . LYS B 2 82 ? -4.466 11.472 82.538 1.00 72.43 ? 82 LYS B CD 1 ATOM 3151 C CE . LYS B 2 82 ? -5.040 12.512 83.494 1.00 74.45 ? 82 LYS B CE 1 ATOM 3152 N NZ . LYS B 2 82 ? -5.981 11.916 84.486 1.00 75.19 ? 82 LYS B NZ 1 ATOM 3153 N N . LYS B 2 83 ? -3.568 6.677 83.753 1.00 21.99 ? 83 LYS B N 1 ATOM 3154 C CA . LYS B 2 83 ? -4.228 5.835 84.750 1.00 22.48 ? 83 LYS B CA 1 ATOM 3155 C C . LYS B 2 83 ? -3.196 5.197 85.676 1.00 33.08 ? 83 LYS B C 1 ATOM 3156 O O . LYS B 2 83 ? -3.399 5.111 86.889 1.00 49.26 ? 83 LYS B O 1 ATOM 3157 C CB . LYS B 2 83 ? -5.047 4.730 84.078 1.00 16.18 ? 83 LYS B CB 1 ATOM 3158 C CG . LYS B 2 83 ? -6.383 5.170 83.508 1.00 44.51 ? 83 LYS B CG 1 ATOM 3159 C CD . LYS B 2 83 ? -7.071 4.005 82.811 1.00 51.02 ? 83 LYS B CD 1 ATOM 3160 C CE . LYS B 2 83 ? -8.402 4.421 82.209 1.00 61.21 ? 83 LYS B CE 1 ATOM 3161 N NZ . LYS B 2 83 ? -9.000 3.373 81.327 1.00 62.21 ? 83 LYS B NZ 1 ATOM 3162 N N . MET B 2 84 ? -2.086 4.756 85.094 1.00 27.34 ? 84 MET B N 1 ATOM 3163 C CA . MET B 2 84 ? -1.047 4.079 85.853 1.00 27.95 ? 84 MET B CA 1 ATOM 3164 C C . MET B 2 84 ? -0.356 5.029 86.816 1.00 34.03 ? 84 MET B C 1 ATOM 3165 O O . MET B 2 84 ? -0.224 4.722 88.000 1.00 44.16 ? 84 MET B O 1 ATOM 3166 C CB . MET B 2 84 ? -0.018 3.448 84.920 1.00 31.83 ? 84 MET B CB 1 ATOM 3167 C CG . MET B 2 84 ? 0.937 2.498 85.623 1.00 31.23 ? 84 MET B CG 1 ATOM 3168 S SD . MET B 2 84 ? 2.324 2.007 84.585 1.00 69.38 ? 84 MET B SD 1 ATOM 3169 C CE . MET B 2 84 ? 3.144 3.583 84.351 1.00 36.19 ? 84 MET B CE 1 ATOM 3170 N N . GLU B 2 85 ? 0.092 6.172 86.299 1.00 37.41 ? 85 GLU B N 1 ATOM 3171 C CA . GLU B 2 85 ? 0.733 7.199 87.117 1.00 44.21 ? 85 GLU B CA 1 ATOM 3172 C C . GLU B 2 85 ? -0.148 7.585 88.299 1.00 48.59 ? 85 GLU B C 1 ATOM 3173 O O . GLU B 2 85 ? 0.290 7.565 89.452 1.00 57.06 ? 85 GLU B O 1 ATOM 3174 C CB . GLU B 2 85 ? 1.030 8.454 86.291 1.00 46.98 ? 85 GLU B CB 1 ATOM 3175 C CG . GLU B 2 85 ? 2.244 8.368 85.383 1.00 58.88 ? 85 GLU B CG 1 ATOM 3176 C CD . GLU B 2 85 ? 2.562 9.701 84.721 1.00 78.17 ? 85 GLU B CD 1 ATOM 3177 O OE1 . GLU B 2 85 ? 2.828 10.680 85.451 1.00 83.81 ? 85 GLU B OE1 1 ATOM 3178 O OE2 . GLU B 2 85 ? 2.535 9.773 83.473 1.00 80.67 ? 85 GLU B OE2 1 ATOM 3179 N N . ASP B 2 86 ? -1.394 7.936 88.002 1.00 25.67 ? 86 ASP B N 1 ATOM 3180 C CA . ASP B 2 86 ? -2.324 8.392 89.025 1.00 29.90 ? 86 ASP B CA 1 ATOM 3181 C C . ASP B 2 86 ? -2.644 7.281 90.012 1.00 34.37 ? 86 ASP B C 1 ATOM 3182 O O . ASP B 2 86 ? -2.754 7.523 91.217 1.00 42.23 ? 86 ASP B O 1 ATOM 3183 C CB . ASP B 2 86 ? -3.606 8.919 88.384 1.00 36.95 ? 86 ASP B CB 1 ATOM 3184 C CG . ASP B 2 86 ? -3.358 10.124 87.501 1.00 45.44 ? 86 ASP B CG 1 ATOM 3185 O OD1 . ASP B 2 86 ? -2.178 10.402 87.201 1.00 52.53 ? 86 ASP B OD1 1 ATOM 3186 O OD2 . ASP B 2 86 ? -4.337 10.789 87.103 1.00 48.14 ? 86 ASP B OD2 1 ATOM 3187 N N . GLY B 2 87 ? -2.789 6.066 89.491 1.00 31.61 ? 87 GLY B N 1 ATOM 3188 C CA . GLY B 2 87 ? -3.062 4.909 90.321 1.00 32.62 ? 87 GLY B CA 1 ATOM 3189 C C . GLY B 2 87 ? -2.024 4.739 91.412 1.00 33.26 ? 87 GLY B C 1 ATOM 3190 O O . GLY B 2 87 ? -2.369 4.535 92.572 1.00 37.98 ? 87 GLY B O 1 ATOM 3191 N N . PHE B 2 88 ? -0.752 4.836 91.035 1.00 34.02 ? 88 PHE B N 1 ATOM 3192 C CA . PHE B 2 88 ? 0.348 4.738 91.989 1.00 30.81 ? 88 PHE B CA 1 ATOM 3193 C C . PHE B 2 88 ? 0.413 5.970 92.880 1.00 42.61 ? 88 PHE B C 1 ATOM 3194 O O . PHE B 2 88 ? 0.719 5.866 94.072 1.00 46.98 ? 88 PHE B O 1 ATOM 3195 C CB . PHE B 2 88 ? 1.683 4.569 91.260 1.00 19.37 ? 88 PHE B CB 1 ATOM 3196 C CG . PHE B 2 88 ? 1.935 3.180 90.763 1.00 24.17 ? 88 PHE B CG 1 ATOM 3197 C CD1 . PHE B 2 88 ? 1.702 2.082 91.574 1.00 28.14 ? 88 PHE B CD1 1 ATOM 3198 C CD2 . PHE B 2 88 ? 2.401 2.971 89.477 1.00 24.91 ? 88 PHE B CD2 1 ATOM 3199 C CE1 . PHE B 2 88 ? 1.936 0.798 91.113 1.00 30.24 ? 88 PHE B CE1 1 ATOM 3200 C CE2 . PHE B 2 88 ? 2.636 1.692 89.007 1.00 28.88 ? 88 PHE B CE2 1 ATOM 3201 C CZ . PHE B 2 88 ? 2.401 0.603 89.826 1.00 32.29 ? 88 PHE B CZ 1 ATOM 3202 N N . LEU B 2 89 ? 0.130 7.132 92.295 1.00 31.13 ? 89 LEU B N 1 ATOM 3203 C CA . LEU B 2 89 ? 0.110 8.382 93.046 1.00 29.35 ? 89 LEU B CA 1 ATOM 3204 C C . LEU B 2 89 ? -0.886 8.305 94.197 1.00 27.18 ? 89 LEU B C 1 ATOM 3205 O O . LEU B 2 89 ? -0.580 8.699 95.324 1.00 33.14 ? 89 LEU B O 1 ATOM 3206 C CB . LEU B 2 89 ? -0.234 9.558 92.135 1.00 28.09 ? 89 LEU B CB 1 ATOM 3207 C CG . LEU B 2 89 ? -0.237 10.934 92.803 1.00 16.44 ? 89 LEU B CG 1 ATOM 3208 C CD1 . LEU B 2 89 ? 0.404 11.949 91.888 1.00 17.09 ? 89 LEU B CD1 1 ATOM 3209 C CD2 . LEU B 2 89 ? -1.645 11.370 93.149 1.00 55.13 ? 89 LEU B CD2 1 ATOM 3210 N N . ASP B 2 90 ? -2.075 7.791 93.904 1.00 24.01 ? 90 ASP B N 1 ATOM 3211 C CA . ASP B 2 90 ? -3.110 7.638 94.917 1.00 21.67 ? 90 ASP B CA 1 ATOM 3212 C C . ASP B 2 90 ? -2.689 6.619 95.972 1.00 24.40 ? 90 ASP B C 1 ATOM 3213 O O . ASP B 2 90 ? -2.975 6.781 97.158 1.00 17.77 ? 90 ASP B O 1 ATOM 3214 C CB . ASP B 2 90 ? -4.432 7.225 94.270 1.00 23.29 ? 90 ASP B CB 1 ATOM 3215 C CG . ASP B 2 90 ? -4.960 8.276 93.308 1.00 47.59 ? 90 ASP B CG 1 ATOM 3216 O OD1 . ASP B 2 90 ? -4.636 9.471 93.493 1.00 56.11 ? 90 ASP B OD1 1 ATOM 3217 O OD2 . ASP B 2 90 ? -5.703 7.912 92.369 1.00 56.07 ? 90 ASP B OD2 1 ATOM 3218 N N . VAL B 2 91 ? -2.001 5.573 95.529 1.00 25.88 ? 91 VAL B N 1 ATOM 3219 C CA . VAL B 2 91 ? -1.516 4.534 96.425 1.00 14.19 ? 91 VAL B CA 1 ATOM 3220 C C . VAL B 2 91 ? -0.435 5.061 97.360 1.00 25.73 ? 91 VAL B C 1 ATOM 3221 O O . VAL B 2 91 ? -0.503 4.857 98.573 1.00 14.09 ? 91 VAL B O 1 ATOM 3222 C CB . VAL B 2 91 ? -0.974 3.317 95.642 1.00 18.21 ? 91 VAL B CB 1 ATOM 3223 C CG1 . VAL B 2 91 ? -0.108 2.449 96.537 1.00 13.89 ? 91 VAL B CG1 1 ATOM 3224 C CG2 . VAL B 2 91 ? -2.125 2.512 95.068 1.00 30.11 ? 91 VAL B CG2 1 ATOM 3225 N N . TRP B 2 92 ? 0.556 5.747 96.799 1.00 24.83 ? 92 TRP B N 1 ATOM 3226 C CA . TRP B 2 92 ? 1.669 6.231 97.608 1.00 24.98 ? 92 TRP B CA 1 ATOM 3227 C C . TRP B 2 92 ? 1.266 7.382 98.525 1.00 30.56 ? 92 TRP B C 1 ATOM 3228 O O . TRP B 2 92 ? 1.722 7.452 99.664 1.00 32.27 ? 92 TRP B O 1 ATOM 3229 C CB . TRP B 2 92 ? 2.866 6.624 96.740 1.00 22.43 ? 92 TRP B CB 1 ATOM 3230 C CG . TRP B 2 92 ? 3.657 5.451 96.227 1.00 21.78 ? 92 TRP B CG 1 ATOM 3231 C CD1 . TRP B 2 92 ? 3.791 5.061 94.928 1.00 33.71 ? 92 TRP B CD1 1 ATOM 3232 C CD2 . TRP B 2 92 ? 4.418 4.522 97.007 1.00 28.79 ? 92 TRP B CD2 1 ATOM 3233 N NE1 . TRP B 2 92 ? 4.592 3.946 94.849 1.00 39.28 ? 92 TRP B NE1 1 ATOM 3234 C CE2 . TRP B 2 92 ? 4.990 3.594 96.110 1.00 36.67 ? 92 TRP B CE2 1 ATOM 3235 C CE3 . TRP B 2 92 ? 4.676 4.382 98.373 1.00 32.41 ? 92 TRP B CE3 1 ATOM 3236 C CZ2 . TRP B 2 92 ? 5.800 2.543 96.537 1.00 41.05 ? 92 TRP B CZ2 1 ATOM 3237 C CZ3 . TRP B 2 92 ? 5.482 3.338 98.796 1.00 34.36 ? 92 TRP B CZ3 1 ATOM 3238 C CH2 . TRP B 2 92 ? 6.034 2.432 97.879 1.00 36.73 ? 92 TRP B CH2 1 ATOM 3239 N N . THR B 2 93 ? 0.408 8.273 98.038 1.00 29.19 ? 93 THR B N 1 ATOM 3240 C CA . THR B 2 93 ? -0.062 9.388 98.853 1.00 27.33 ? 93 THR B CA 1 ATOM 3241 C C . THR B 2 93 ? -0.808 8.887 100.083 1.00 27.99 ? 93 THR B C 1 ATOM 3242 O O . THR B 2 93 ? -0.453 9.218 101.215 1.00 22.02 ? 93 THR B O 1 ATOM 3243 C CB . THR B 2 93 ? -0.996 10.323 98.063 1.00 29.97 ? 93 THR B CB 1 ATOM 3244 O OG1 . THR B 2 93 ? -0.296 10.854 96.931 1.00 44.06 ? 93 THR B OG1 1 ATOM 3245 C CG2 . THR B 2 93 ? -1.455 11.470 98.949 1.00 35.90 ? 93 THR B CG2 1 ATOM 3246 N N . TYR B 2 94 ? -1.834 8.076 99.847 1.00 26.34 ? 94 TYR B N 1 ATOM 3247 C CA . TYR B 2 94 ? -2.654 7.537 100.924 1.00 19.45 ? 94 TYR B CA 1 ATOM 3248 C C . TYR B 2 94 ? -1.824 6.724 101.914 1.00 29.74 ? 94 TYR B C 1 ATOM 3249 O O . TYR B 2 94 ? -1.921 6.918 103.128 1.00 42.17 ? 94 TYR B O 1 ATOM 3250 C CB . TYR B 2 94 ? -3.781 6.673 100.356 1.00 24.18 ? 94 TYR B CB 1 ATOM 3251 C CG . TYR B 2 94 ? -4.830 6.298 101.374 1.00 31.56 ? 94 TYR B CG 1 ATOM 3252 C CD1 . TYR B 2 94 ? -5.735 7.241 101.840 1.00 36.09 ? 94 TYR B CD1 1 ATOM 3253 C CD2 . TYR B 2 94 ? -4.924 5.002 101.861 1.00 29.96 ? 94 TYR B CD2 1 ATOM 3254 C CE1 . TYR B 2 94 ? -6.699 6.909 102.768 1.00 42.72 ? 94 TYR B CE1 1 ATOM 3255 C CE2 . TYR B 2 94 ? -5.886 4.657 102.789 1.00 36.34 ? 94 TYR B CE2 1 ATOM 3256 C CZ . TYR B 2 94 ? -6.773 5.614 103.241 1.00 40.98 ? 94 TYR B CZ 1 ATOM 3257 O OH . TYR B 2 94 ? -7.737 5.280 104.168 1.00 38.00 ? 94 TYR B OH 1 ATOM 3258 N N . ASN B 2 95 ? -1.001 5.821 101.390 1.00 20.67 ? 95 ASN B N 1 ATOM 3259 C CA . ASN B 2 95 ? -0.173 4.976 102.244 1.00 24.54 ? 95 ASN B CA 1 ATOM 3260 C C . ASN B 2 95 ? 0.846 5.773 103.057 1.00 30.09 ? 95 ASN B C 1 ATOM 3261 O O . ASN B 2 95 ? 1.048 5.497 104.239 1.00 39.82 ? 95 ASN B O 1 ATOM 3262 C CB . ASN B 2 95 ? 0.504 3.858 101.441 1.00 31.99 ? 95 ASN B CB 1 ATOM 3263 C CG . ASN B 2 95 ? -0.460 2.735 101.077 1.00 44.13 ? 95 ASN B CG 1 ATOM 3264 O OD1 . ASN B 2 95 ? -1.397 2.441 101.821 1.00 46.90 ? 95 ASN B OD1 1 ATOM 3265 N ND2 . ASN B 2 95 ? -0.234 2.106 99.931 1.00 39.98 ? 95 ASN B ND2 1 ATOM 3266 N N . ALA B 2 96 ? 1.466 6.773 102.437 1.00 24.33 ? 96 ALA B N 1 ATOM 3267 C CA . ALA B 2 96 ? 2.457 7.595 103.132 1.00 25.40 ? 96 ALA B CA 1 ATOM 3268 C C . ALA B 2 96 ? 1.845 8.430 104.253 1.00 31.96 ? 96 ALA B C 1 ATOM 3269 O O . ALA B 2 96 ? 2.399 8.507 105.348 1.00 41.61 ? 96 ALA B O 1 ATOM 3270 C CB . ALA B 2 96 ? 3.200 8.494 102.156 1.00 15.00 ? 96 ALA B CB 1 ATOM 3271 N N . GLU B 2 97 ? 0.704 9.053 103.978 1.00 33.21 ? 97 GLU B N 1 ATOM 3272 C CA . GLU B 2 97 ? 0.064 9.911 104.966 1.00 35.25 ? 97 GLU B CA 1 ATOM 3273 C C . GLU B 2 97 ? -0.406 9.124 106.187 1.00 38.29 ? 97 GLU B C 1 ATOM 3274 O O . GLU B 2 97 ? -0.130 9.509 107.324 1.00 41.04 ? 97 GLU B O 1 ATOM 3275 C CB . GLU B 2 97 ? -1.090 10.695 104.344 1.00 37.36 ? 97 GLU B CB 1 ATOM 3276 C CG . GLU B 2 97 ? -0.645 11.639 103.243 1.00 53.93 ? 97 GLU B CG 1 ATOM 3277 C CD . GLU B 2 97 ? -1.296 13.004 103.340 1.00 75.04 ? 97 GLU B CD 1 ATOM 3278 O OE1 . GLU B 2 97 ? -1.260 13.601 104.438 1.00 89.11 ? 97 GLU B OE1 1 ATOM 3279 O OE2 . GLU B 2 97 ? -1.848 13.478 102.322 1.00 72.29 ? 97 GLU B OE2 1 ATOM 3280 N N . LEU B 2 98 ? -1.102 8.018 105.950 1.00 28.68 ? 98 LEU B N 1 ATOM 3281 C CA . LEU B 2 98 ? -1.556 7.163 107.040 1.00 24.00 ? 98 LEU B CA 1 ATOM 3282 C C . LEU B 2 98 ? -0.390 6.534 107.796 1.00 32.34 ? 98 LEU B C 1 ATOM 3283 O O . LEU B 2 98 ? -0.465 6.343 109.011 1.00 46.28 ? 98 LEU B O 1 ATOM 3284 C CB . LEU B 2 98 ? -2.494 6.075 106.525 1.00 22.48 ? 98 LEU B CB 1 ATOM 3285 C CG . LEU B 2 98 ? -3.980 6.328 106.766 1.00 23.57 ? 98 LEU B CG 1 ATOM 3286 C CD1 . LEU B 2 98 ? -4.410 7.670 106.196 1.00 35.76 ? 98 LEU B CD1 1 ATOM 3287 C CD2 . LEU B 2 98 ? -4.787 5.209 106.153 1.00 32.65 ? 98 LEU B CD2 1 ATOM 3288 N N . LEU B 2 99 ? 0.681 6.208 107.076 1.00 24.71 ? 99 LEU B N 1 ATOM 3289 C CA . LEU B 2 99 ? 1.894 5.703 107.708 1.00 26.73 ? 99 LEU B CA 1 ATOM 3290 C C . LEU B 2 99 ? 2.418 6.695 108.740 1.00 40.29 ? 99 LEU B C 1 ATOM 3291 O O . LEU B 2 99 ? 2.691 6.327 109.882 1.00 53.59 ? 99 LEU B O 1 ATOM 3292 C CB . LEU B 2 99 ? 2.982 5.443 106.669 1.00 18.40 ? 99 LEU B CB 1 ATOM 3293 C CG . LEU B 2 99 ? 4.332 4.994 107.230 1.00 14.48 ? 99 LEU B CG 1 ATOM 3294 C CD1 . LEU B 2 99 ? 4.162 3.748 108.080 1.00 29.24 ? 99 LEU B CD1 1 ATOM 3295 C CD2 . LEU B 2 99 ? 5.308 4.745 106.098 1.00 17.87 ? 99 LEU B CD2 1 ATOM 3296 N N . VAL B 2 100 ? 2.542 7.953 108.330 1.00 34.79 ? 100 VAL B N 1 ATOM 3297 C CA . VAL B 2 100 ? 3.068 8.998 109.196 1.00 28.67 ? 100 VAL B CA 1 ATOM 3298 C C . VAL B 2 100 ? 2.192 9.220 110.426 1.00 33.67 ? 100 VAL B C 1 ATOM 3299 O O . VAL B 2 100 ? 2.702 9.334 111.545 1.00 36.74 ? 100 VAL B O 1 ATOM 3300 C CB . VAL B 2 100 ? 3.250 10.319 108.423 1.00 24.50 ? 100 VAL B CB 1 ATOM 3301 C CG1 . VAL B 2 100 ? 3.439 11.485 109.381 1.00 27.16 ? 100 VAL B CG1 1 ATOM 3302 C CG2 . VAL B 2 100 ? 4.433 10.205 107.475 1.00 26.35 ? 100 VAL B CG2 1 ATOM 3303 N N . LEU B 2 101 ? 0.880 9.264 110.216 1.00 29.07 ? 101 LEU B N 1 ATOM 3304 C CA . LEU B 2 101 ? -0.063 9.427 111.317 1.00 34.44 ? 101 LEU B CA 1 ATOM 3305 C C . LEU B 2 101 ? 0.070 8.298 112.329 1.00 47.17 ? 101 LEU B C 1 ATOM 3306 O O . LEU B 2 101 ? 0.260 8.545 113.519 1.00 60.81 ? 101 LEU B O 1 ATOM 3307 C CB . LEU B 2 101 ? -1.504 9.487 110.806 1.00 24.88 ? 101 LEU B CB 1 ATOM 3308 C CG . LEU B 2 101 ? -1.855 10.640 109.865 1.00 24.97 ? 101 LEU B CG 1 ATOM 3309 C CD1 . LEU B 2 101 ? -3.363 10.785 109.737 1.00 18.15 ? 101 LEU B CD1 1 ATOM 3310 C CD2 . LEU B 2 101 ? -1.216 11.935 110.344 1.00 27.20 ? 101 LEU B CD2 1 ATOM 3311 N N . MET B 2 102 ? -0.027 7.061 111.847 1.00 38.34 ? 102 MET B N 1 ATOM 3312 C CA . MET B 2 102 ? 0.015 5.893 112.719 1.00 37.35 ? 102 MET B CA 1 ATOM 3313 C C . MET B 2 102 ? 1.348 5.787 113.453 1.00 40.23 ? 102 MET B C 1 ATOM 3314 O O . MET B 2 102 ? 1.403 5.352 114.605 1.00 40.41 ? 102 MET B O 1 ATOM 3315 C CB . MET B 2 102 ? -0.266 4.607 111.929 1.00 31.19 ? 102 MET B CB 1 ATOM 3316 C CG . MET B 2 102 ? -1.695 4.500 111.401 1.00 36.37 ? 102 MET B CG 1 ATOM 3317 S SD . MET B 2 102 ? -2.174 2.835 110.884 1.00 112.40 ? 102 MET B SD 1 ATOM 3318 C CE . MET B 2 102 ? -1.139 2.590 109.445 1.00 33.08 ? 102 MET B CE 1 ATOM 3319 N N . GLU B 2 103 ? 2.417 6.199 112.783 1.00 15.19 ? 103 GLU B N 1 ATOM 3320 C CA . GLU B 2 103 ? 3.757 6.081 113.338 1.00 30.10 ? 103 GLU B CA 1 ATOM 3321 C C . GLU B 2 103 ? 3.996 7.144 114.406 1.00 30.45 ? 103 GLU B C 1 ATOM 3322 O O . GLU B 2 103 ? 4.678 6.897 115.406 1.00 30.65 ? 103 GLU B O 1 ATOM 3323 C CB . GLU B 2 103 ? 4.799 6.190 112.223 1.00 31.72 ? 103 GLU B CB 1 ATOM 3324 C CG . GLU B 2 103 ? 5.945 5.193 112.329 1.00 44.21 ? 103 GLU B CG 1 ATOM 3325 C CD . GLU B 2 103 ? 5.475 3.747 112.350 1.00 56.60 ? 103 GLU B CD 1 ATOM 3326 O OE1 . GLU B 2 103 ? 5.248 3.209 113.456 1.00 57.74 ? 103 GLU B OE1 1 ATOM 3327 O OE2 . GLU B 2 103 ? 5.339 3.148 111.262 1.00 63.97 ? 103 GLU B OE2 1 ATOM 3328 N N . ASN B 2 104 ? 3.429 8.328 114.186 1.00 33.36 ? 104 ASN B N 1 ATOM 3329 C CA . ASN B 2 104 ? 3.518 9.414 115.156 1.00 35.42 ? 104 ASN B CA 1 ATOM 3330 C C . ASN B 2 104 ? 2.733 9.101 116.424 1.00 39.29 ? 104 ASN B C 1 ATOM 3331 O O . ASN B 2 104 ? 3.186 9.389 117.534 1.00 36.86 ? 104 ASN B O 1 ATOM 3332 C CB . ASN B 2 104 ? 3.036 10.729 114.543 1.00 40.08 ? 104 ASN B CB 1 ATOM 3333 C CG . ASN B 2 104 ? 4.000 11.270 113.505 1.00 46.28 ? 104 ASN B CG 1 ATOM 3334 O OD1 . ASN B 2 104 ? 5.177 10.901 113.484 1.00 44.36 ? 104 ASN B OD1 1 ATOM 3335 N ND2 . ASN B 2 104 ? 3.511 12.152 112.643 1.00 57.41 ? 104 ASN B ND2 1 ATOM 3336 N N . GLU B 2 105 ? 1.555 8.511 116.251 1.00 38.59 ? 105 GLU B N 1 ATOM 3337 C CA . GLU B 2 105 ? 0.752 8.058 117.377 1.00 35.18 ? 105 GLU B CA 1 ATOM 3338 C C . GLU B 2 105 ? 1.547 7.056 118.208 1.00 33.80 ? 105 GLU B C 1 ATOM 3339 O O . GLU B 2 105 ? 1.598 7.158 119.434 1.00 31.41 ? 105 GLU B O 1 ATOM 3340 C CB . GLU B 2 105 ? -0.549 7.422 116.885 1.00 33.07 ? 105 GLU B CB 1 ATOM 3341 C CG . GLU B 2 105 ? -1.494 6.994 117.997 1.00 47.67 ? 105 GLU B CG 1 ATOM 3342 C CD . GLU B 2 105 ? -2.057 8.174 118.768 1.00 70.65 ? 105 GLU B CD 1 ATOM 3343 O OE1 . GLU B 2 105 ? -2.323 9.220 118.138 1.00 77.73 ? 105 GLU B OE1 1 ATOM 3344 O OE2 . GLU B 2 105 ? -2.227 8.058 120.001 1.00 73.41 ? 105 GLU B OE2 1 ATOM 3345 N N . ARG B 2 106 ? 2.174 6.097 117.533 1.00 29.64 ? 106 ARG B N 1 ATOM 3346 C CA . ARG B 2 106 ? 2.988 5.094 118.210 1.00 29.12 ? 106 ARG B CA 1 ATOM 3347 C C . ARG B 2 106 ? 4.172 5.715 118.942 1.00 30.43 ? 106 ARG B C 1 ATOM 3348 O O . ARG B 2 106 ? 4.480 5.334 120.074 1.00 33.72 ? 106 ARG B O 1 ATOM 3349 C CB . ARG B 2 106 ? 3.474 4.023 117.231 1.00 23.00 ? 106 ARG B CB 1 ATOM 3350 C CG . ARG B 2 106 ? 2.437 2.958 116.937 1.00 27.10 ? 106 ARG B CG 1 ATOM 3351 C CD . ARG B 2 106 ? 3.083 1.662 116.487 1.00 30.08 ? 106 ARG B CD 1 ATOM 3352 N NE . ARG B 2 106 ? 2.556 0.523 117.232 1.00 41.25 ? 106 ARG B NE 1 ATOM 3353 C CZ . ARG B 2 106 ? 3.122 0.023 118.326 1.00 45.37 ? 106 ARG B CZ 1 ATOM 3354 N NH1 . ARG B 2 106 ? 4.240 0.562 118.799 1.00 46.45 ? 106 ARG B NH1 1 ATOM 3355 N NH2 . ARG B 2 106 ? 2.574 -1.015 118.945 1.00 38.08 ? 106 ARG B NH2 1 ATOM 3356 N N . THR B 2 107 ? 4.828 6.673 118.293 1.00 24.10 ? 107 THR B N 1 ATOM 3357 C CA . THR B 2 107 ? 5.991 7.335 118.878 1.00 19.63 ? 107 THR B CA 1 ATOM 3358 C C . THR B 2 107 ? 5.654 8.074 120.172 1.00 27.59 ? 107 THR B C 1 ATOM 3359 O O . THR B 2 107 ? 6.353 7.925 121.174 1.00 37.33 ? 107 THR B O 1 ATOM 3360 C CB . THR B 2 107 ? 6.670 8.298 117.880 1.00 20.74 ? 107 THR B CB 1 ATOM 3361 O OG1 . THR B 2 107 ? 7.475 7.547 116.963 1.00 24.59 ? 107 THR B OG1 1 ATOM 3362 C CG2 . THR B 2 107 ? 7.560 9.292 118.608 1.00 19.66 ? 107 THR B CG2 1 ATOM 3363 N N . LEU B 2 108 ? 4.581 8.858 120.154 1.00 32.95 ? 108 LEU B N 1 ATOM 3364 C CA . LEU B 2 108 ? 4.173 9.592 121.348 1.00 34.68 ? 108 LEU B CA 1 ATOM 3365 C C . LEU B 2 108 ? 3.809 8.638 122.481 1.00 41.85 ? 108 LEU B C 1 ATOM 3366 O O . LEU B 2 108 ? 4.204 8.852 123.627 1.00 47.61 ? 108 LEU B O 1 ATOM 3367 C CB . LEU B 2 108 ? 3.010 10.541 121.045 1.00 28.38 ? 108 LEU B CB 1 ATOM 3368 C CG . LEU B 2 108 ? 3.322 11.656 120.040 1.00 29.09 ? 108 LEU B CG 1 ATOM 3369 C CD1 . LEU B 2 108 ? 2.237 12.722 120.054 1.00 27.47 ? 108 LEU B CD1 1 ATOM 3370 C CD2 . LEU B 2 108 ? 4.688 12.272 120.316 1.00 33.34 ? 108 LEU B CD2 1 ATOM 3371 N N . ASP B 2 109 ? 3.064 7.585 122.148 1.00 39.85 ? 109 ASP B N 1 ATOM 3372 C CA . ASP B 2 109 ? 2.725 6.539 123.110 1.00 41.36 ? 109 ASP B CA 1 ATOM 3373 C C . ASP B 2 109 ? 3.977 5.835 123.623 1.00 47.07 ? 109 ASP B C 1 ATOM 3374 O O . ASP B 2 109 ? 4.054 5.457 124.795 1.00 50.12 ? 109 ASP B O 1 ATOM 3375 C CB . ASP B 2 109 ? 1.772 5.515 122.488 1.00 50.68 ? 109 ASP B CB 1 ATOM 3376 C CG . ASP B 2 109 ? 0.350 6.026 122.385 1.00 66.88 ? 109 ASP B CG 1 ATOM 3377 O OD1 . ASP B 2 109 ? -0.012 6.931 123.164 1.00 77.55 ? 109 ASP B OD1 1 ATOM 3378 O OD2 . ASP B 2 109 ? -0.405 5.520 121.529 1.00 67.33 ? 109 ASP B OD2 1 ATOM 3379 N N . PHE B 2 110 ? 4.953 5.662 122.737 1.00 45.02 ? 110 PHE B N 1 ATOM 3380 C CA . PHE B 2 110 ? 6.214 5.022 123.096 1.00 31.73 ? 110 PHE B CA 1 ATOM 3381 C C . PHE B 2 110 ? 6.936 5.809 124.181 1.00 28.90 ? 110 PHE B C 1 ATOM 3382 O O . PHE B 2 110 ? 7.426 5.235 125.154 1.00 39.07 ? 110 PHE B O 1 ATOM 3383 C CB . PHE B 2 110 ? 7.109 4.867 121.863 1.00 30.69 ? 110 PHE B CB 1 ATOM 3384 C CG . PHE B 2 110 ? 8.524 4.482 122.185 1.00 35.36 ? 110 PHE B CG 1 ATOM 3385 C CD1 . PHE B 2 110 ? 8.812 3.235 122.708 1.00 44.09 ? 110 PHE B CD1 1 ATOM 3386 C CD2 . PHE B 2 110 ? 9.567 5.364 121.956 1.00 34.07 ? 110 PHE B CD2 1 ATOM 3387 C CE1 . PHE B 2 110 ? 10.109 2.878 123.005 1.00 37.50 ? 110 PHE B CE1 1 ATOM 3388 C CE2 . PHE B 2 110 ? 10.867 5.007 122.249 1.00 32.01 ? 110 PHE B CE2 1 ATOM 3389 C CZ . PHE B 2 110 ? 11.137 3.764 122.773 1.00 25.68 ? 110 PHE B CZ 1 ATOM 3390 N N . HIS B 2 111 ? 6.990 7.127 124.004 1.00 32.02 ? 111 HIS B N 1 ATOM 3391 C CA . HIS B 2 111 ? 7.594 8.016 124.989 1.00 40.66 ? 111 HIS B CA 1 ATOM 3392 C C . HIS B 2 111 ? 6.838 7.954 126.306 1.00 41.25 ? 111 HIS B C 1 ATOM 3393 O O . HIS B 2 111 ? 7.444 7.913 127.376 1.00 42.62 ? 111 HIS B O 1 ATOM 3394 C CB . HIS B 2 111 ? 7.594 9.458 124.486 1.00 43.63 ? 111 HIS B CB 1 ATOM 3395 C CG . HIS B 2 111 ? 8.660 9.753 123.479 1.00 38.80 ? 111 HIS B CG 1 ATOM 3396 N ND1 . HIS B 2 111 ? 10.003 9.591 123.748 1.00 43.62 ? 111 HIS B ND1 1 ATOM 3397 C CD2 . HIS B 2 111 ? 8.584 10.220 122.210 1.00 33.89 ? 111 HIS B CD2 1 ATOM 3398 C CE1 . HIS B 2 111 ? 10.706 9.937 122.684 1.00 48.66 ? 111 HIS B CE1 1 ATOM 3399 N NE2 . HIS B 2 111 ? 9.870 10.322 121.738 1.00 37.00 ? 111 HIS B NE2 1 ATOM 3400 N N . ASP B 2 112 ? 5.511 7.960 126.212 1.00 34.83 ? 112 ASP B N 1 ATOM 3401 C CA . ASP B 2 112 ? 4.644 7.895 127.379 1.00 36.63 ? 112 ASP B CA 1 ATOM 3402 C C . ASP B 2 112 ? 4.976 6.644 128.186 1.00 37.26 ? 112 ASP B C 1 ATOM 3403 O O . ASP B 2 112 ? 5.160 6.709 129.404 1.00 41.62 ? 112 ASP B O 1 ATOM 3404 C CB . ASP B 2 112 ? 3.176 7.882 126.937 1.00 40.07 ? 112 ASP B CB 1 ATOM 3405 C CG . ASP B 2 112 ? 2.215 8.208 128.065 1.00 51.78 ? 112 ASP B CG 1 ATOM 3406 O OD1 . ASP B 2 112 ? 2.506 7.861 129.227 1.00 65.23 ? 112 ASP B OD1 1 ATOM 3407 O OD2 . ASP B 2 112 ? 1.158 8.810 127.783 1.00 52.96 ? 112 ASP B OD2 1 ATOM 3408 N N . SER B 2 113 ? 5.066 5.512 127.493 1.00 28.26 ? 113 SER B N 1 ATOM 3409 C CA . SER B 2 113 ? 5.384 4.239 128.133 1.00 31.21 ? 113 SER B CA 1 ATOM 3410 C C . SER B 2 113 ? 6.720 4.311 128.870 1.00 43.42 ? 113 SER B C 1 ATOM 3411 O O . SER B 2 113 ? 6.857 3.799 129.980 1.00 48.11 ? 113 SER B O 1 ATOM 3412 C CB . SER B 2 113 ? 5.414 3.109 127.102 1.00 30.17 ? 113 SER B CB 1 ATOM 3413 O OG . SER B 2 113 ? 6.649 2.411 127.150 1.00 39.65 ? 113 SER B OG 1 ATOM 3414 N N . ASN B 2 114 ? 7.695 4.970 128.253 1.00 43.27 ? 114 ASN B N 1 ATOM 3415 C CA . ASN B 2 114 ? 9.025 5.090 128.837 1.00 35.20 ? 114 ASN B CA 1 ATOM 3416 C C . ASN B 2 114 ? 9.033 5.869 130.147 1.00 36.09 ? 114 ASN B C 1 ATOM 3417 O O . ASN B 2 114 ? 9.687 5.465 131.105 1.00 50.84 ? 114 ASN B O 1 ATOM 3418 C CB . ASN B 2 114 ? 10.003 5.712 127.838 1.00 30.59 ? 114 ASN B CB 1 ATOM 3419 C CG . ASN B 2 114 ? 10.371 4.760 126.718 1.00 29.31 ? 114 ASN B CG 1 ATOM 3420 O OD1 . ASN B 2 114 ? 10.552 3.563 126.941 1.00 36.79 ? 114 ASN B OD1 1 ATOM 3421 N ND2 . ASN B 2 114 ? 10.480 5.286 125.506 1.00 28.82 ? 114 ASN B ND2 1 ATOM 3422 N N . VAL B 2 115 ? 8.306 6.980 130.187 1.00 23.27 ? 115 VAL B N 1 ATOM 3423 C CA . VAL B 2 115 ? 8.221 7.782 131.404 1.00 21.68 ? 115 VAL B CA 1 ATOM 3424 C C . VAL B 2 115 ? 7.498 7.008 132.497 1.00 27.31 ? 115 VAL B C 1 ATOM 3425 O O . VAL B 2 115 ? 7.973 6.933 133.631 1.00 34.05 ? 115 VAL B O 1 ATOM 3426 C CB . VAL B 2 115 ? 7.499 9.127 131.169 1.00 20.97 ? 115 VAL B CB 1 ATOM 3427 C CG1 . VAL B 2 115 ? 7.155 9.784 132.499 1.00 21.61 ? 115 VAL B CG1 1 ATOM 3428 C CG2 . VAL B 2 115 ? 8.354 10.048 130.327 1.00 21.10 ? 115 VAL B CG2 1 ATOM 3429 N N . LYS B 2 116 ? 6.352 6.433 132.141 1.00 29.33 ? 116 LYS B N 1 ATOM 3430 C CA . LYS B 2 116 ? 5.557 5.644 133.073 1.00 26.63 ? 116 LYS B CA 1 ATOM 3431 C C . LYS B 2 116 ? 6.387 4.503 133.653 1.00 37.37 ? 116 LYS B C 1 ATOM 3432 O O . LYS B 2 116 ? 6.365 4.262 134.860 1.00 46.58 ? 116 LYS B O 1 ATOM 3433 C CB . LYS B 2 116 ? 4.315 5.090 132.374 1.00 36.83 ? 116 LYS B CB 1 ATOM 3434 C CG . LYS B 2 116 ? 3.470 4.160 133.230 1.00 42.97 ? 116 LYS B CG 1 ATOM 3435 C CD . LYS B 2 116 ? 2.561 4.929 134.176 1.00 51.67 ? 116 LYS B CD 1 ATOM 3436 C CE . LYS B 2 116 ? 1.684 3.975 134.976 1.00 53.26 ? 116 LYS B CE 1 ATOM 3437 N NZ . LYS B 2 116 ? 0.979 2.998 134.094 1.00 50.11 ? 116 LYS B NZ 1 ATOM 3438 N N . ASN B 2 117 ? 7.131 3.816 132.788 1.00 39.75 ? 117 ASN B N 1 ATOM 3439 C CA . ASN B 2 117 ? 7.988 2.711 133.220 1.00 33.48 ? 117 ASN B CA 1 ATOM 3440 C C . ASN B 2 117 ? 9.072 3.139 134.203 1.00 41.43 ? 117 ASN B C 1 ATOM 3441 O O . ASN B 2 117 ? 9.405 2.400 135.129 1.00 52.91 ? 117 ASN B O 1 ATOM 3442 C CB . ASN B 2 117 ? 8.618 2.002 132.021 1.00 35.71 ? 117 ASN B CB 1 ATOM 3443 C CG . ASN B 2 117 ? 7.610 1.179 131.232 1.00 60.97 ? 117 ASN B CG 1 ATOM 3444 O OD1 . ASN B 2 117 ? 6.591 0.737 131.769 1.00 62.71 ? 117 ASN B OD1 1 ATOM 3445 N ND2 . ASN B 2 117 ? 7.893 0.968 129.951 1.00 75.78 ? 117 ASN B ND2 1 ATOM 3446 N N . LEU B 2 118 ? 9.621 4.333 134.003 1.00 48.59 ? 118 LEU B N 1 ATOM 3447 C CA . LEU B 2 118 ? 10.618 4.868 134.923 1.00 49.73 ? 118 LEU B CA 1 ATOM 3448 C C . LEU B 2 118 ? 9.963 5.217 136.253 1.00 46.97 ? 118 LEU B C 1 ATOM 3449 O O . LEU B 2 118 ? 10.559 5.038 137.314 1.00 51.23 ? 118 LEU B O 1 ATOM 3450 C CB . LEU B 2 118 ? 11.316 6.094 134.326 1.00 39.36 ? 118 LEU B CB 1 ATOM 3451 C CG . LEU B 2 118 ? 12.392 6.750 135.194 1.00 23.32 ? 118 LEU B CG 1 ATOM 3452 C CD1 . LEU B 2 118 ? 13.373 5.717 135.712 1.00 51.36 ? 118 LEU B CD1 1 ATOM 3453 C CD2 . LEU B 2 118 ? 13.126 7.824 134.409 1.00 31.15 ? 118 LEU B CD2 1 ATOM 3454 N N . TYR B 2 119 ? 8.731 5.707 136.187 1.00 40.30 ? 119 TYR B N 1 ATOM 3455 C CA . TYR B 2 119 ? 7.975 6.043 137.385 1.00 36.97 ? 119 TYR B CA 1 ATOM 3456 C C . TYR B 2 119 ? 7.709 4.788 138.206 1.00 41.19 ? 119 TYR B C 1 ATOM 3457 O O . TYR B 2 119 ? 7.873 4.780 139.428 1.00 40.99 ? 119 TYR B O 1 ATOM 3458 C CB . TYR B 2 119 ? 6.655 6.717 137.008 1.00 34.05 ? 119 TYR B CB 1 ATOM 3459 C CG . TYR B 2 119 ? 5.822 7.152 138.193 1.00 38.04 ? 119 TYR B CG 1 ATOM 3460 C CD1 . TYR B 2 119 ? 6.041 8.377 138.805 1.00 43.93 ? 119 TYR B CD1 1 ATOM 3461 C CD2 . TYR B 2 119 ? 4.812 6.340 138.694 1.00 43.34 ? 119 TYR B CD2 1 ATOM 3462 C CE1 . TYR B 2 119 ? 5.284 8.780 139.884 1.00 52.45 ? 119 TYR B CE1 1 ATOM 3463 C CE2 . TYR B 2 119 ? 4.049 6.735 139.773 1.00 48.89 ? 119 TYR B CE2 1 ATOM 3464 C CZ . TYR B 2 119 ? 4.289 7.957 140.364 1.00 49.65 ? 119 TYR B CZ 1 ATOM 3465 O OH . TYR B 2 119 ? 3.536 8.363 141.440 1.00 46.95 ? 119 TYR B OH 1 ATOM 3466 N N . ASP B 2 120 ? 7.302 3.724 137.523 1.00 43.39 ? 120 ASP B N 1 ATOM 3467 C CA . ASP B 2 120 ? 7.001 2.463 138.188 1.00 50.07 ? 120 ASP B CA 1 ATOM 3468 C C . ASP B 2 120 ? 8.259 1.822 138.758 1.00 53.82 ? 120 ASP B C 1 ATOM 3469 O O . ASP B 2 120 ? 8.227 1.240 139.841 1.00 59.92 ? 120 ASP B O 1 ATOM 3470 C CB . ASP B 2 120 ? 6.288 1.505 137.235 1.00 48.93 ? 120 ASP B CB 1 ATOM 3471 C CG . ASP B 2 120 ? 4.889 1.971 136.896 1.00 50.89 ? 120 ASP B CG 1 ATOM 3472 O OD1 . ASP B 2 120 ? 4.323 2.753 137.694 1.00 44.74 ? 120 ASP B OD1 1 ATOM 3473 O OD2 . ASP B 2 120 ? 4.355 1.562 135.842 1.00 56.06 ? 120 ASP B OD2 1 ATOM 3474 N N . LYS B 2 121 ? 9.364 1.939 138.028 1.00 47.40 ? 121 LYS B N 1 ATOM 3475 C CA . LYS B 2 121 ? 10.648 1.424 138.490 1.00 46.71 ? 121 LYS B CA 1 ATOM 3476 C C . LYS B 2 121 ? 11.041 2.095 139.802 1.00 46.29 ? 121 LYS B C 1 ATOM 3477 O O . LYS B 2 121 ? 11.505 1.439 140.731 1.00 43.55 ? 121 LYS B O 1 ATOM 3478 C CB . LYS B 2 121 ? 11.735 1.666 137.439 1.00 48.58 ? 121 LYS B CB 1 ATOM 3479 C CG . LYS B 2 121 ? 12.622 0.461 137.155 1.00 55.95 ? 121 LYS B CG 1 ATOM 3480 C CD . LYS B 2 121 ? 13.886 0.872 136.411 1.00 60.11 ? 121 LYS B CD 1 ATOM 3481 C CE . LYS B 2 121 ? 14.678 -0.335 135.920 1.00 64.58 ? 121 LYS B CE 1 ATOM 3482 N NZ . LYS B 2 121 ? 14.086 -0.941 134.688 1.00 65.85 ? 121 LYS B NZ 1 ATOM 3483 N N . VAL B 2 122 ? 10.853 3.410 139.867 1.00 46.93 ? 122 VAL B N 1 ATOM 3484 C CA . VAL B 2 122 ? 11.163 4.170 141.072 1.00 41.82 ? 122 VAL B CA 1 ATOM 3485 C C . VAL B 2 122 ? 10.230 3.808 142.223 1.00 48.46 ? 122 VAL B C 1 ATOM 3486 O O . VAL B 2 122 ? 10.690 3.472 143.316 1.00 58.63 ? 122 VAL B O 1 ATOM 3487 C CB . VAL B 2 122 ? 11.096 5.689 140.828 1.00 27.96 ? 122 VAL B CB 1 ATOM 3488 C CG1 . VAL B 2 122 ? 11.128 6.438 142.149 1.00 25.99 ? 122 VAL B CG1 1 ATOM 3489 C CG2 . VAL B 2 122 ? 12.239 6.129 139.932 1.00 28.71 ? 122 VAL B CG2 1 ATOM 3490 N N . ARG B 2 123 ? 8.924 3.871 141.971 1.00 43.55 ? 123 ARG B N 1 ATOM 3491 C CA . ARG B 2 123 ? 7.930 3.605 143.009 1.00 34.09 ? 123 ARG B CA 1 ATOM 3492 C C . ARG B 2 123 ? 8.076 2.197 143.584 1.00 40.97 ? 123 ARG B C 1 ATOM 3493 O O . ARG B 2 123 ? 7.903 1.987 144.786 1.00 44.58 ? 123 ARG B O 1 ATOM 3494 C CB . ARG B 2 123 ? 6.504 3.830 142.485 1.00 30.16 ? 123 ARG B CB 1 ATOM 3495 C CG . ARG B 2 123 ? 5.595 2.613 142.589 1.00 35.02 ? 123 ARG B CG 1 ATOM 3496 C CD . ARG B 2 123 ? 4.134 2.986 142.806 1.00 48.07 ? 123 ARG B CD 1 ATOM 3497 N NE . ARG B 2 123 ? 3.447 3.384 141.579 1.00 65.19 ? 123 ARG B NE 1 ATOM 3498 C CZ . ARG B 2 123 ? 2.951 2.532 140.685 1.00 62.08 ? 123 ARG B CZ 1 ATOM 3499 N NH1 . ARG B 2 123 ? 3.081 1.223 140.864 1.00 65.17 ? 123 ARG B NH1 1 ATOM 3500 N NH2 . ARG B 2 123 ? 2.334 2.992 139.604 1.00 53.95 ? 123 ARG B NH2 1 ATOM 3501 N N . MET B 2 124 ? 8.426 1.245 142.724 1.00 48.80 ? 124 MET B N 1 ATOM 3502 C CA . MET B 2 124 ? 8.539 -0.150 143.123 1.00 49.98 ? 124 MET B CA 1 ATOM 3503 C C . MET B 2 124 ? 9.727 -0.323 144.056 1.00 54.39 ? 124 MET B C 1 ATOM 3504 O O . MET B 2 124 ? 9.759 -1.235 144.881 1.00 58.93 ? 124 MET B O 1 ATOM 3505 C CB . MET B 2 124 ? 8.710 -1.035 141.888 1.00 48.70 ? 124 MET B CB 1 ATOM 3506 C CG . MET B 2 124 ? 8.330 -2.488 142.086 1.00 49.20 ? 124 MET B CG 1 ATOM 3507 S SD . MET B 2 124 ? 8.441 -3.417 140.543 1.00 90.83 ? 124 MET B SD 1 ATOM 3508 C CE . MET B 2 124 ? 7.234 -2.566 139.534 1.00 26.46 ? 124 MET B CE 1 ATOM 3509 N N . GLN B 2 125 ? 10.700 0.572 143.921 1.00 51.48 ? 125 GLN B N 1 ATOM 3510 C CA . GLN B 2 125 ? 11.912 0.514 144.724 1.00 49.27 ? 125 GLN B CA 1 ATOM 3511 C C . GLN B 2 125 ? 11.739 1.226 146.060 1.00 46.99 ? 125 GLN B C 1 ATOM 3512 O O . GLN B 2 125 ? 12.227 0.758 147.088 1.00 50.03 ? 125 GLN B O 1 ATOM 3513 C CB . GLN B 2 125 ? 13.079 1.128 143.960 1.00 47.90 ? 125 GLN B CB 1 ATOM 3514 C CG . GLN B 2 125 ? 14.410 0.924 144.631 1.00 57.95 ? 125 GLN B CG 1 ATOM 3515 C CD . GLN B 2 125 ? 15.562 1.395 143.775 1.00 74.26 ? 125 GLN B CD 1 ATOM 3516 O OE1 . GLN B 2 125 ? 16.676 0.884 143.884 1.00 88.51 ? 125 GLN B OE1 1 ATOM 3517 N NE2 . GLN B 2 125 ? 15.303 2.376 142.917 1.00 67.65 ? 125 GLN B NE2 1 ATOM 3518 N N . LEU B 2 126 ? 11.039 2.356 146.037 1.00 49.43 ? 126 LEU B N 1 ATOM 3519 C CA . LEU B 2 126 ? 10.863 3.179 147.230 1.00 50.98 ? 126 LEU B CA 1 ATOM 3520 C C . LEU B 2 126 ? 9.844 2.600 148.204 1.00 50.81 ? 126 LEU B C 1 ATOM 3521 O O . LEU B 2 126 ? 9.977 2.762 149.419 1.00 60.46 ? 126 LEU B O 1 ATOM 3522 C CB . LEU B 2 126 ? 10.444 4.601 146.849 1.00 50.13 ? 126 LEU B CB 1 ATOM 3523 C CG . LEU B 2 126 ? 11.482 5.521 146.208 1.00 47.82 ? 126 LEU B CG 1 ATOM 3524 C CD1 . LEU B 2 126 ? 10.828 6.831 145.811 1.00 50.00 ? 126 LEU B CD1 1 ATOM 3525 C CD2 . LEU B 2 126 ? 12.639 5.767 147.161 1.00 47.96 ? 126 LEU B CD2 1 ATOM 3526 N N . ARG B 2 127 ? 8.826 1.938 147.662 1.00 41.36 ? 127 ARG B N 1 ATOM 3527 C CA . ARG B 2 127 ? 7.728 1.393 148.458 1.00 46.96 ? 127 ARG B CA 1 ATOM 3528 C C . ARG B 2 127 ? 7.035 2.445 149.322 1.00 51.56 ? 127 ARG B C 1 ATOM 3529 O O . ARG B 2 127 ? 6.766 3.555 148.865 1.00 50.73 ? 127 ARG B O 1 ATOM 3530 C CB . ARG B 2 127 ? 8.191 0.214 149.318 1.00 46.07 ? 127 ARG B CB 1 ATOM 3531 C CG . ARG B 2 127 ? 8.565 -1.022 148.523 1.00 53.14 ? 127 ARG B CG 1 ATOM 3532 C CD . ARG B 2 127 ? 8.809 -2.201 149.445 1.00 67.34 ? 127 ARG B CD 1 ATOM 3533 N NE . ARG B 2 127 ? 9.268 -3.375 148.712 1.00 82.04 ? 127 ARG B NE 1 ATOM 3534 C CZ . ARG B 2 127 ? 10.537 -3.597 148.385 1.00 95.51 ? 127 ARG B CZ 1 ATOM 3535 N NH1 . ARG B 2 127 ? 11.472 -2.720 148.726 1.00 96.07 ? 127 ARG B NH1 1 ATOM 3536 N NH2 . ARG B 2 127 ? 10.871 -4.692 147.716 1.00 101.98 ? 127 ARG B NH2 1 ATOM 3537 N N . ASP B 2 128 ? 6.755 2.088 150.572 1.00 64.19 ? 128 ASP B N 1 ATOM 3538 C CA . ASP B 2 128 ? 5.954 2.937 151.451 1.00 75.23 ? 128 ASP B CA 1 ATOM 3539 C C . ASP B 2 128 ? 6.795 3.908 152.278 1.00 80.66 ? 128 ASP B C 1 ATOM 3540 O O . ASP B 2 128 ? 6.281 4.574 153.178 1.00 92.45 ? 128 ASP B O 1 ATOM 3541 C CB . ASP B 2 128 ? 5.078 2.082 152.370 1.00 75.08 ? 128 ASP B CB 1 ATOM 3542 C CG . ASP B 2 128 ? 5.891 1.193 153.286 1.00 74.67 ? 128 ASP B CG 1 ATOM 3543 O OD1 . ASP B 2 128 ? 7.029 0.843 152.912 1.00 75.36 ? 128 ASP B OD1 1 ATOM 3544 O OD2 . ASP B 2 128 ? 5.392 0.844 154.378 1.00 74.58 ? 128 ASP B OD2 1 ATOM 3545 N N . ASN B 2 129 ? 8.085 3.986 151.967 1.00 60.25 ? 129 ASN B N 1 ATOM 3546 C CA . ASN B 2 129 ? 8.970 4.947 152.613 1.00 53.06 ? 129 ASN B CA 1 ATOM 3547 C C . ASN B 2 129 ? 8.676 6.373 152.170 1.00 57.14 ? 129 ASN B C 1 ATOM 3548 O O . ASN B 2 129 ? 9.177 7.330 152.757 1.00 62.25 ? 129 ASN B O 1 ATOM 3549 C CB . ASN B 2 129 ? 10.432 4.612 152.319 1.00 53.52 ? 129 ASN B CB 1 ATOM 3550 C CG . ASN B 2 129 ? 10.994 3.572 153.262 1.00 55.53 ? 129 ASN B CG 1 ATOM 3551 O OD1 . ASN B 2 129 ? 10.276 3.023 154.098 1.00 55.36 ? 129 ASN B OD1 1 ATOM 3552 N ND2 . ASN B 2 129 ? 12.288 3.295 153.133 1.00 57.91 ? 129 ASN B ND2 1 ATOM 3553 N N . VAL B 2 130 ? 7.870 6.505 151.122 1.00 58.52 ? 130 VAL B N 1 ATOM 3554 C CA . VAL B 2 130 ? 7.533 7.809 150.572 1.00 53.57 ? 130 VAL B CA 1 ATOM 3555 C C . VAL B 2 130 ? 6.028 7.971 150.407 1.00 52.09 ? 130 VAL B C 1 ATOM 3556 O O . VAL B 2 130 ? 5.289 6.990 150.331 1.00 47.02 ? 130 VAL B O 1 ATOM 3557 C CB . VAL B 2 130 ? 8.191 8.028 149.195 1.00 56.84 ? 130 VAL B CB 1 ATOM 3558 C CG1 . VAL B 2 130 ? 9.701 7.937 149.304 1.00 62.52 ? 130 VAL B CG1 1 ATOM 3559 C CG2 . VAL B 2 130 ? 7.671 7.015 148.192 1.00 52.36 ? 130 VAL B CG2 1 ATOM 3560 N N . LYS B 2 131 ? 5.584 9.221 150.354 1.00 57.22 ? 131 LYS B N 1 ATOM 3561 C CA . LYS B 2 131 ? 4.192 9.533 150.067 1.00 51.10 ? 131 LYS B CA 1 ATOM 3562 C C . LYS B 2 131 ? 4.051 9.840 148.582 1.00 55.61 ? 131 LYS B C 1 ATOM 3563 O O . LYS B 2 131 ? 4.576 10.842 148.097 1.00 62.25 ? 131 LYS B O 1 ATOM 3564 C CB . LYS B 2 131 ? 3.734 10.734 150.898 1.00 47.33 ? 131 LYS B CB 1 ATOM 3565 C CG . LYS B 2 131 ? 2.316 11.200 150.608 1.00 50.60 ? 131 LYS B CG 1 ATOM 3566 C CD . LYS B 2 131 ? 2.050 12.575 151.205 1.00 65.80 ? 131 LYS B CD 1 ATOM 3567 C CE . LYS B 2 131 ? 2.311 12.590 152.705 1.00 80.55 ? 131 LYS B CE 1 ATOM 3568 N NZ . LYS B 2 131 ? 2.105 13.942 153.304 1.00 82.20 ? 131 LYS B NZ 1 ATOM 3569 N N . GLU B 2 132 ? 3.355 8.969 147.858 1.00 62.22 ? 132 GLU B N 1 ATOM 3570 C CA . GLU B 2 132 ? 3.128 9.173 146.431 1.00 62.73 ? 132 GLU B CA 1 ATOM 3571 C C . GLU B 2 132 ? 2.178 10.346 146.218 1.00 56.49 ? 132 GLU B C 1 ATOM 3572 O O . GLU B 2 132 ? 0.984 10.247 146.501 1.00 61.71 ? 132 GLU B O 1 ATOM 3573 C CB . GLU B 2 132 ? 2.567 7.902 145.790 1.00 70.89 ? 132 GLU B CB 1 ATOM 3574 C CG . GLU B 2 132 ? 2.207 8.044 144.321 1.00 82.34 ? 132 GLU B CG 1 ATOM 3575 C CD . GLU B 2 132 ? 1.833 6.720 143.680 1.00 87.45 ? 132 GLU B CD 1 ATOM 3576 O OE1 . GLU B 2 132 ? 2.012 5.671 144.334 1.00 88.52 ? 132 GLU B OE1 1 ATOM 3577 O OE2 . GLU B 2 132 ? 1.361 6.727 142.523 1.00 86.47 ? 132 GLU B OE2 1 ATOM 3578 N N . LEU B 2 133 ? 2.716 11.456 145.721 1.00 43.98 ? 133 LEU B N 1 ATOM 3579 C CA . LEU B 2 133 ? 1.952 12.695 145.595 1.00 48.60 ? 133 LEU B CA 1 ATOM 3580 C C . LEU B 2 133 ? 0.975 12.676 144.422 1.00 57.26 ? 133 LEU B C 1 ATOM 3581 O O . LEU B 2 133 ? -0.004 13.421 144.413 1.00 51.44 ? 133 LEU B O 1 ATOM 3582 C CB . LEU B 2 133 ? 2.898 13.891 145.476 1.00 52.86 ? 133 LEU B CB 1 ATOM 3583 C CG . LEU B 2 133 ? 3.853 14.078 146.656 1.00 55.54 ? 133 LEU B CG 1 ATOM 3584 C CD1 . LEU B 2 133 ? 4.765 15.273 146.435 1.00 57.40 ? 133 LEU B CD1 1 ATOM 3585 C CD2 . LEU B 2 133 ? 3.076 14.224 147.956 1.00 51.56 ? 133 LEU B CD2 1 ATOM 3586 N N . GLY B 2 134 ? 1.248 11.832 143.433 1.00 66.19 ? 134 GLY B N 1 ATOM 3587 C CA . GLY B 2 134 ? 0.339 11.659 142.315 1.00 62.24 ? 134 GLY B CA 1 ATOM 3588 C C . GLY B 2 134 ? 0.622 12.579 141.144 1.00 69.20 ? 134 GLY B C 1 ATOM 3589 O O . GLY B 2 134 ? 0.058 12.410 140.064 1.00 76.91 ? 134 GLY B O 1 ATOM 3590 N N . ASN B 2 135 ? 1.492 13.559 141.358 1.00 58.56 ? 135 ASN B N 1 ATOM 3591 C CA . ASN B 2 135 ? 1.884 14.472 140.291 1.00 48.40 ? 135 ASN B CA 1 ATOM 3592 C C . ASN B 2 135 ? 3.166 14.014 139.609 1.00 51.21 ? 135 ASN B C 1 ATOM 3593 O O . ASN B 2 135 ? 3.659 14.665 138.690 1.00 56.12 ? 135 ASN B O 1 ATOM 3594 C CB . ASN B 2 135 ? 2.051 15.895 140.828 1.00 47.93 ? 135 ASN B CB 1 ATOM 3595 C CG . ASN B 2 135 ? 3.013 15.970 142.003 1.00 62.02 ? 135 ASN B CG 1 ATOM 3596 O OD1 . ASN B 2 135 ? 3.661 14.983 142.358 1.00 71.42 ? 135 ASN B OD1 1 ATOM 3597 N ND2 . ASN B 2 135 ? 3.112 17.148 142.611 1.00 62.11 ? 135 ASN B ND2 1 ATOM 3598 N N . GLY B 2 136 ? 3.698 12.886 140.070 1.00 48.06 ? 136 GLY B N 1 ATOM 3599 C CA . GLY B 2 136 ? 4.942 12.356 139.546 1.00 42.36 ? 136 GLY B CA 1 ATOM 3600 C C . GLY B 2 136 ? 6.063 12.454 140.562 1.00 51.92 ? 136 GLY B C 1 ATOM 3601 O O . GLY B 2 136 ? 7.207 12.100 140.274 1.00 53.12 ? 136 GLY B O 1 ATOM 3602 N N . CYS B 2 137 ? 5.733 12.930 141.759 1.00 64.53 ? 137 CYS B N 1 ATOM 3603 C CA . CYS B 2 137 ? 6.729 13.096 142.814 1.00 55.71 ? 137 CYS B CA 1 ATOM 3604 C C . CYS B 2 137 ? 6.520 12.125 143.968 1.00 53.39 ? 137 CYS B C 1 ATOM 3605 O O . CYS B 2 137 ? 5.444 11.547 144.126 1.00 62.34 ? 137 CYS B O 1 ATOM 3606 C CB . CYS B 2 137 ? 6.721 14.531 143.351 1.00 47.59 ? 137 CYS B CB 1 ATOM 3607 S SG . CYS B 2 137 ? 7.199 15.804 142.167 1.00 129.54 ? 137 CYS B SG 1 ATOM 3608 N N . PHE B 2 138 ? 7.567 11.954 144.767 1.00 45.96 ? 138 PHE B N 1 ATOM 3609 C CA . PHE B 2 138 ? 7.506 11.138 145.970 1.00 41.46 ? 138 PHE B CA 1 ATOM 3610 C C . PHE B 2 138 ? 8.073 11.938 147.134 1.00 46.38 ? 138 PHE B C 1 ATOM 3611 O O . PHE B 2 138 ? 9.229 12.359 147.097 1.00 44.88 ? 138 PHE B O 1 ATOM 3612 C CB . PHE B 2 138 ? 8.319 9.855 145.795 1.00 34.38 ? 138 PHE B CB 1 ATOM 3613 C CG . PHE B 2 138 ? 7.931 9.045 144.593 1.00 37.98 ? 138 PHE B CG 1 ATOM 3614 C CD1 . PHE B 2 138 ? 6.941 8.081 144.682 1.00 40.51 ? 138 PHE B CD1 1 ATOM 3615 C CD2 . PHE B 2 138 ? 8.562 9.240 143.376 1.00 49.18 ? 138 PHE B CD2 1 ATOM 3616 C CE1 . PHE B 2 138 ? 6.584 7.329 143.576 1.00 41.90 ? 138 PHE B CE1 1 ATOM 3617 C CE2 . PHE B 2 138 ? 8.209 8.491 142.267 1.00 49.30 ? 138 PHE B CE2 1 ATOM 3618 C CZ . PHE B 2 138 ? 7.218 7.535 142.368 1.00 42.75 ? 138 PHE B CZ 1 ATOM 3619 N N . GLU B 2 139 ? 7.261 12.159 148.163 1.00 56.56 ? 139 GLU B N 1 ATOM 3620 C CA . GLU B 2 139 ? 7.735 12.861 149.350 1.00 58.35 ? 139 GLU B CA 1 ATOM 3621 C C . GLU B 2 139 ? 8.210 11.853 150.385 1.00 47.64 ? 139 GLU B C 1 ATOM 3622 O O . GLU B 2 139 ? 7.441 11.005 150.831 1.00 44.50 ? 139 GLU B O 1 ATOM 3623 C CB . GLU B 2 139 ? 6.641 13.752 149.942 1.00 62.19 ? 139 GLU B CB 1 ATOM 3624 C CG . GLU B 2 139 ? 7.142 14.682 151.037 1.00 70.06 ? 139 GLU B CG 1 ATOM 3625 C CD . GLU B 2 139 ? 6.022 15.434 151.728 1.00 80.75 ? 139 GLU B CD 1 ATOM 3626 O OE1 . GLU B 2 139 ? 5.338 14.829 152.581 1.00 88.74 ? 139 GLU B OE1 1 ATOM 3627 O OE2 . GLU B 2 139 ? 5.825 16.629 151.418 1.00 80.50 ? 139 GLU B OE2 1 ATOM 3628 N N . PHE B 2 140 ? 9.481 11.945 150.758 1.00 51.74 ? 140 PHE B N 1 ATOM 3629 C CA . PHE B 2 140 ? 10.072 10.989 151.686 1.00 60.58 ? 140 PHE B CA 1 ATOM 3630 C C . PHE B 2 140 ? 9.517 11.128 153.102 1.00 62.73 ? 140 PHE B C 1 ATOM 3631 O O . PHE B 2 140 ? 9.330 12.238 153.603 1.00 60.51 ? 140 PHE B O 1 ATOM 3632 C CB . PHE B 2 140 ? 11.596 11.126 151.698 1.00 57.24 ? 140 PHE B CB 1 ATOM 3633 C CG . PHE B 2 140 ? 12.270 10.492 150.517 1.00 51.60 ? 140 PHE B CG 1 ATOM 3634 C CD1 . PHE B 2 140 ? 12.666 9.168 150.562 1.00 53.33 ? 140 PHE B CD1 1 ATOM 3635 C CD2 . PHE B 2 140 ? 12.509 11.219 149.363 1.00 57.04 ? 140 PHE B CD2 1 ATOM 3636 C CE1 . PHE B 2 140 ? 13.287 8.577 149.478 1.00 59.73 ? 140 PHE B CE1 1 ATOM 3637 C CE2 . PHE B 2 140 ? 13.129 10.633 148.275 1.00 60.98 ? 140 PHE B CE2 1 ATOM 3638 C CZ . PHE B 2 140 ? 13.518 9.310 148.334 1.00 59.06 ? 140 PHE B CZ 1 ATOM 3639 N N . TYR B 2 141 ? 9.252 9.992 153.741 1.00 59.03 ? 141 TYR B N 1 ATOM 3640 C CA . TYR B 2 141 ? 8.836 9.981 155.138 1.00 52.52 ? 141 TYR B CA 1 ATOM 3641 C C . TYR B 2 141 ? 10.063 10.029 156.037 1.00 57.11 ? 141 TYR B C 1 ATOM 3642 O O . TYR B 2 141 ? 9.952 10.025 157.262 1.00 68.57 ? 141 TYR B O 1 ATOM 3643 C CB . TYR B 2 141 ? 7.992 8.744 155.449 1.00 52.18 ? 141 TYR B CB 1 ATOM 3644 C CG . TYR B 2 141 ? 6.545 8.871 155.031 1.00 56.62 ? 141 TYR B CG 1 ATOM 3645 C CD1 . TYR B 2 141 ? 5.833 10.037 155.276 1.00 54.29 ? 141 TYR B CD1 1 ATOM 3646 C CD2 . TYR B 2 141 ? 5.894 7.828 154.385 1.00 67.14 ? 141 TYR B CD2 1 ATOM 3647 C CE1 . TYR B 2 141 ? 4.511 10.160 154.895 1.00 68.88 ? 141 TYR B CE1 1 ATOM 3648 C CE2 . TYR B 2 141 ? 4.572 7.940 153.999 1.00 73.47 ? 141 TYR B CE2 1 ATOM 3649 C CZ . TYR B 2 141 ? 3.885 9.108 154.256 1.00 76.65 ? 141 TYR B CZ 1 ATOM 3650 O OH . TYR B 2 141 ? 2.569 9.222 153.872 1.00 78.30 ? 141 TYR B OH 1 ATOM 3651 N N . HIS B 2 142 ? 11.236 10.067 155.417 1.00 49.88 ? 142 HIS B N 1 ATOM 3652 C CA . HIS B 2 142 ? 12.475 10.273 156.148 1.00 50.44 ? 142 HIS B CA 1 ATOM 3653 C C . HIS B 2 142 ? 13.277 11.392 155.504 1.00 49.36 ? 142 HIS B C 1 ATOM 3654 O O . HIS B 2 142 ? 12.795 12.082 154.606 1.00 47.54 ? 142 HIS B O 1 ATOM 3655 C CB . HIS B 2 142 ? 13.305 8.991 156.193 1.00 52.22 ? 142 HIS B CB 1 ATOM 3656 C CG . HIS B 2 142 ? 13.831 8.559 154.858 1.00 55.32 ? 142 HIS B CG 1 ATOM 3657 N ND1 . HIS B 2 142 ? 13.255 7.546 154.125 1.00 57.38 ? 142 HIS B ND1 1 ATOM 3658 C CD2 . HIS B 2 142 ? 14.887 8.996 154.131 1.00 50.17 ? 142 HIS B CD2 1 ATOM 3659 C CE1 . HIS B 2 142 ? 13.930 7.376 153.003 1.00 50.83 ? 142 HIS B CE1 1 ATOM 3660 N NE2 . HIS B 2 142 ? 14.925 8.246 152.980 1.00 48.60 ? 142 HIS B NE2 1 ATOM 3661 N N . LYS B 2 143 ? 14.509 11.564 155.963 1.00 54.15 ? 143 LYS B N 1 ATOM 3662 C CA . LYS B 2 143 ? 15.374 12.588 155.407 1.00 62.31 ? 143 LYS B CA 1 ATOM 3663 C C . LYS B 2 143 ? 16.393 11.968 154.461 1.00 58.42 ? 143 LYS B C 1 ATOM 3664 O O . LYS B 2 143 ? 17.355 11.334 154.889 1.00 62.76 ? 143 LYS B O 1 ATOM 3665 C CB . LYS B 2 143 ? 16.072 13.370 156.523 1.00 71.55 ? 143 LYS B CB 1 ATOM 3666 C CG . LYS B 2 143 ? 16.069 14.877 156.311 1.00 76.28 ? 143 LYS B CG 1 ATOM 3667 C CD . LYS B 2 143 ? 14.653 15.404 156.093 1.00 77.80 ? 143 LYS B CD 1 ATOM 3668 C CE . LYS B 2 143 ? 14.224 16.362 157.199 1.00 71.88 ? 143 LYS B CE 1 ATOM 3669 N NZ . LYS B 2 143 ? 13.981 15.674 158.500 1.00 62.44 ? 143 LYS B NZ 1 ATOM 3670 N N . CYS B 2 144 ? 16.159 12.143 153.166 1.00 64.14 ? 144 CYS B N 1 ATOM 3671 C CA . CYS B 2 144 ? 17.097 11.696 152.146 1.00 64.70 ? 144 CYS B CA 1 ATOM 3672 C C . CYS B 2 144 ? 18.065 12.828 151.819 1.00 76.70 ? 144 CYS B C 1 ATOM 3673 O O . CYS B 2 144 ? 17.784 13.995 152.093 1.00 89.53 ? 144 CYS B O 1 ATOM 3674 C CB . CYS B 2 144 ? 16.343 11.256 150.887 1.00 41.82 ? 144 CYS B CB 1 ATOM 3675 S SG . CYS B 2 144 ? 17.364 10.722 149.493 1.00 260.26 ? 144 CYS B SG 1 ATOM 3676 N N . ASP B 2 145 ? 19.209 12.478 151.242 1.00 73.87 ? 145 ASP B N 1 ATOM 3677 C CA . ASP B 2 145 ? 20.205 13.469 150.848 1.00 77.18 ? 145 ASP B CA 1 ATOM 3678 C C . ASP B 2 145 ? 20.819 13.116 149.496 1.00 79.98 ? 145 ASP B C 1 ATOM 3679 O O . ASP B 2 145 ? 20.495 12.076 148.922 1.00 85.74 ? 145 ASP B O 1 ATOM 3680 C CB . ASP B 2 145 ? 21.288 13.595 151.922 1.00 82.73 ? 145 ASP B CB 1 ATOM 3681 C CG . ASP B 2 145 ? 21.753 12.247 152.444 1.00 89.18 ? 145 ASP B CG 1 ATOM 3682 O OD1 . ASP B 2 145 ? 22.034 12.143 153.658 1.00 90.65 ? 145 ASP B OD1 1 ATOM 3683 O OD2 . ASP B 2 145 ? 21.840 11.292 151.644 1.00 91.70 ? 145 ASP B OD2 1 ATOM 3684 N N . ASP B 2 146 ? 21.702 13.982 148.997 1.00 74.38 ? 146 ASP B N 1 ATOM 3685 C CA . ASP B 2 146 ? 22.355 13.783 147.700 1.00 77.25 ? 146 ASP B CA 1 ATOM 3686 C C . ASP B 2 146 ? 23.013 12.411 147.589 1.00 82.15 ? 146 ASP B C 1 ATOM 3687 O O . ASP B 2 146 ? 23.084 11.831 146.505 1.00 91.48 ? 146 ASP B O 1 ATOM 3688 C CB . ASP B 2 146 ? 23.393 14.877 147.440 1.00 78.38 ? 146 ASP B CB 1 ATOM 3689 C CG . ASP B 2 146 ? 22.763 16.224 147.143 1.00 74.45 ? 146 ASP B CG 1 ATOM 3690 O OD1 . ASP B 2 146 ? 21.579 16.432 147.494 1.00 72.91 ? 146 ASP B OD1 1 ATOM 3691 O OD2 . ASP B 2 146 ? 23.459 17.080 146.558 1.00 70.12 ? 146 ASP B OD2 1 ATOM 3692 N N . GLU B 2 147 ? 23.482 11.896 148.720 1.00 85.61 ? 147 GLU B N 1 ATOM 3693 C CA . GLU B 2 147 ? 24.089 10.573 148.773 1.00 88.14 ? 147 GLU B CA 1 ATOM 3694 C C . GLU B 2 147 ? 23.015 9.495 148.706 1.00 78.59 ? 147 GLU B C 1 ATOM 3695 O O . GLU B 2 147 ? 23.258 8.393 148.215 1.00 73.29 ? 147 GLU B O 1 ATOM 3696 C CB . GLU B 2 147 ? 24.924 10.411 150.049 1.00 96.12 ? 147 GLU B CB 1 ATOM 3697 C CG . GLU B 2 147 ? 26.013 11.468 150.237 1.00 94.68 ? 147 GLU B CG 1 ATOM 3698 C CD . GLU B 2 147 ? 25.496 12.746 150.879 1.00 83.74 ? 147 GLU B CD 1 ATOM 3699 O OE1 . GLU B 2 147 ? 25.820 13.843 150.375 1.00 71.73 ? 147 GLU B OE1 1 ATOM 3700 O OE2 . GLU B 2 147 ? 24.770 12.654 151.893 1.00 83.99 ? 147 GLU B OE2 1 ATOM 3701 N N . CYS B 2 148 ? 21.826 9.820 149.203 1.00 78.25 ? 148 CYS B N 1 ATOM 3702 C CA . CYS B 2 148 ? 20.702 8.890 149.172 1.00 73.94 ? 148 CYS B CA 1 ATOM 3703 C C . CYS B 2 148 ? 19.933 8.982 147.855 1.00 70.58 ? 148 CYS B C 1 ATOM 3704 O O . CYS B 2 148 ? 19.437 7.976 147.346 1.00 66.75 ? 148 CYS B O 1 ATOM 3705 C CB . CYS B 2 148 ? 19.768 9.130 150.363 1.00 67.69 ? 148 CYS B CB 1 ATOM 3706 S SG . CYS B 2 148 ? 18.017 8.870 150.015 1.00 70.64 ? 148 CYS B SG 1 ATOM 3707 N N . MET B 2 149 ? 19.842 10.192 147.307 1.00 65.98 ? 149 MET B N 1 ATOM 3708 C CA . MET B 2 149 ? 19.161 10.417 146.034 1.00 54.10 ? 149 MET B CA 1 ATOM 3709 C C . MET B 2 149 ? 19.829 9.632 144.914 1.00 62.26 ? 149 MET B C 1 ATOM 3710 O O . MET B 2 149 ? 19.160 8.977 144.112 1.00 66.07 ? 149 MET B O 1 ATOM 3711 C CB . MET B 2 149 ? 19.154 11.905 145.678 1.00 47.01 ? 149 MET B CB 1 ATOM 3712 C CG . MET B 2 149 ? 18.370 12.787 146.636 1.00 44.66 ? 149 MET B CG 1 ATOM 3713 S SD . MET B 2 149 ? 16.586 12.647 146.438 1.00 83.61 ? 149 MET B SD 1 ATOM 3714 C CE . MET B 2 149 ? 16.026 13.851 147.638 1.00 113.86 ? 149 MET B CE 1 ATOM 3715 N N . ASN B 2 150 ? 21.155 9.713 144.865 1.00 75.56 ? 150 ASN B N 1 ATOM 3716 C CA . ASN B 2 150 ? 21.940 8.994 143.869 1.00 85.97 ? 150 ASN B CA 1 ATOM 3717 C C . ASN B 2 150 ? 21.744 7.488 143.982 1.00 88.70 ? 150 ASN B C 1 ATOM 3718 O O . ASN B 2 150 ? 21.842 6.762 142.992 1.00 85.24 ? 150 ASN B O 1 ATOM 3719 C CB . ASN B 2 150 ? 23.423 9.339 144.004 1.00 88.09 ? 150 ASN B CB 1 ATOM 3720 C CG . ASN B 2 150 ? 23.725 10.771 143.616 1.00 93.75 ? 150 ASN B CG 1 ATOM 3721 O OD1 . ASN B 2 150 ? 22.827 11.611 143.542 1.00 95.97 ? 150 ASN B OD1 1 ATOM 3722 N ND2 . ASN B 2 150 ? 24.995 11.058 143.365 1.00 97.04 ? 150 ASN B ND2 1 ATOM 3723 N N . SER B 2 151 ? 21.470 7.030 145.200 1.00 91.67 ? 151 SER B N 1 ATOM 3724 C CA . SER B 2 151 ? 21.203 5.620 145.450 1.00 92.36 ? 151 SER B CA 1 ATOM 3725 C C . SER B 2 151 ? 19.878 5.212 144.812 1.00 89.80 ? 151 SER B C 1 ATOM 3726 O O . SER B 2 151 ? 19.748 4.111 144.272 1.00 88.29 ? 151 SER B O 1 ATOM 3727 C CB . SER B 2 151 ? 21.179 5.336 146.952 1.00 90.16 ? 151 SER B CB 1 ATOM 3728 O OG . SER B 2 151 ? 19.919 4.832 147.354 1.00 88.45 ? 151 SER B OG 1 ATOM 3729 N N . VAL B 2 152 ? 18.898 6.108 144.875 1.00 69.48 ? 152 VAL B N 1 ATOM 3730 C CA . VAL B 2 152 ? 17.605 5.875 144.247 1.00 55.74 ? 152 VAL B CA 1 ATOM 3731 C C . VAL B 2 152 ? 17.758 5.815 142.733 1.00 55.42 ? 152 VAL B C 1 ATOM 3732 O O . VAL B 2 152 ? 17.237 4.911 142.078 1.00 58.75 ? 152 VAL B O 1 ATOM 3733 C CB . VAL B 2 152 ? 16.597 6.987 144.604 1.00 46.90 ? 152 VAL B CB 1 ATOM 3734 C CG1 . VAL B 2 152 ? 15.349 6.877 143.738 1.00 36.20 ? 152 VAL B CG1 1 ATOM 3735 C CG2 . VAL B 2 152 ? 16.243 6.926 146.080 1.00 37.45 ? 152 VAL B CG2 1 ATOM 3736 N N . LYS B 2 153 ? 18.490 6.781 142.190 1.00 56.07 ? 153 LYS B N 1 ATOM 3737 C CA . LYS B 2 153 ? 18.649 6.913 140.748 1.00 53.96 ? 153 LYS B CA 1 ATOM 3738 C C . LYS B 2 153 ? 19.423 5.755 140.126 1.00 55.68 ? 153 LYS B C 1 ATOM 3739 O O . LYS B 2 153 ? 19.086 5.294 139.036 1.00 58.50 ? 153 LYS B O 1 ATOM 3740 C CB . LYS B 2 153 ? 19.333 8.240 140.413 1.00 52.47 ? 153 LYS B CB 1 ATOM 3741 C CG . LYS B 2 153 ? 18.510 9.467 140.769 1.00 47.88 ? 153 LYS B CG 1 ATOM 3742 C CD . LYS B 2 153 ? 19.379 10.710 140.870 1.00 56.13 ? 153 LYS B CD 1 ATOM 3743 C CE . LYS B 2 153 ? 20.178 10.938 139.597 1.00 71.92 ? 153 LYS B CE 1 ATOM 3744 N NZ . LYS B 2 153 ? 21.121 12.085 139.737 1.00 76.06 ? 153 LYS B NZ 1 ATOM 3745 N N . ASN B 2 154 ? 20.457 5.282 140.817 1.00 58.20 ? 154 ASN B N 1 ATOM 3746 C CA . ASN B 2 154 ? 21.333 4.264 140.242 1.00 65.85 ? 154 ASN B CA 1 ATOM 3747 C C . ASN B 2 154 ? 20.873 2.823 140.481 1.00 64.48 ? 154 ASN B C 1 ATOM 3748 O O . ASN B 2 154 ? 21.560 1.875 140.103 1.00 70.14 ? 154 ASN B O 1 ATOM 3749 C CB . ASN B 2 154 ? 22.791 4.472 140.677 1.00 75.54 ? 154 ASN B CB 1 ATOM 3750 C CG . ASN B 2 154 ? 23.087 3.895 142.047 1.00 85.49 ? 154 ASN B CG 1 ATOM 3751 O OD1 . ASN B 2 154 ? 22.219 3.842 142.918 1.00 94.22 ? 154 ASN B OD1 1 ATOM 3752 N ND2 . ASN B 2 154 ? 24.327 3.464 142.247 1.00 82.85 ? 154 ASN B ND2 1 ATOM 3753 N N . GLY B 2 155 ? 19.712 2.666 141.108 1.00 59.53 ? 155 GLY B N 1 ATOM 3754 C CA . GLY B 2 155 ? 19.092 1.359 141.240 1.00 66.39 ? 155 GLY B CA 1 ATOM 3755 C C . GLY B 2 155 ? 19.380 0.588 142.518 1.00 70.86 ? 155 GLY B C 1 ATOM 3756 O O . GLY B 2 155 ? 18.901 -0.533 142.686 1.00 66.79 ? 155 GLY B O 1 ATOM 3757 N N . THR B 2 156 ? 20.160 1.175 143.420 1.00 70.67 ? 156 THR B N 1 ATOM 3758 C CA . THR B 2 156 ? 20.455 0.532 144.698 1.00 68.33 ? 156 THR B CA 1 ATOM 3759 C C . THR B 2 156 ? 20.009 1.392 145.874 1.00 71.73 ? 156 THR B C 1 ATOM 3760 O O . THR B 2 156 ? 20.768 2.220 146.369 1.00 71.74 ? 156 THR B O 1 ATOM 3761 C CB . THR B 2 156 ? 21.957 0.214 144.852 1.00 67.68 ? 156 THR B CB 1 ATOM 3762 O OG1 . THR B 2 156 ? 22.731 1.375 144.525 1.00 70.20 ? 156 THR B OG1 1 ATOM 3763 C CG2 . THR B 2 156 ? 22.359 -0.933 143.942 1.00 67.31 ? 156 THR B CG2 1 ATOM 3764 N N . TYR B 2 157 ? 18.777 1.183 146.322 1.00 72.88 ? 157 TYR B N 1 ATOM 3765 C CA . TYR B 2 157 ? 18.216 1.951 147.428 1.00 69.71 ? 157 TYR B CA 1 ATOM 3766 C C . TYR B 2 157 ? 17.963 1.050 148.632 1.00 69.57 ? 157 TYR B C 1 ATOM 3767 O O . TYR B 2 157 ? 17.461 -0.062 148.490 1.00 72.11 ? 157 TYR B O 1 ATOM 3768 C CB . TYR B 2 157 ? 16.925 2.640 146.977 1.00 65.53 ? 157 TYR B CB 1 ATOM 3769 C CG . TYR B 2 157 ? 16.085 3.221 148.089 1.00 58.09 ? 157 TYR B CG 1 ATOM 3770 C CD1 . TYR B 2 157 ? 16.414 4.435 148.676 1.00 51.81 ? 157 TYR B CD1 1 ATOM 3771 C CD2 . TYR B 2 157 ? 14.947 2.562 148.538 1.00 61.82 ? 157 TYR B CD2 1 ATOM 3772 C CE1 . TYR B 2 157 ? 15.638 4.972 149.689 1.00 52.73 ? 157 TYR B CE1 1 ATOM 3773 C CE2 . TYR B 2 157 ? 14.167 3.090 149.548 1.00 60.06 ? 157 TYR B CE2 1 ATOM 3774 C CZ . TYR B 2 157 ? 14.516 4.294 150.121 1.00 54.23 ? 157 TYR B CZ 1 ATOM 3775 O OH . TYR B 2 157 ? 13.738 4.818 151.129 1.00 44.96 ? 157 TYR B OH 1 ATOM 3776 N N . ASP B 2 158 ? 18.321 1.530 149.818 1.00 70.25 ? 158 ASP B N 1 ATOM 3777 C CA . ASP B 2 158 ? 18.198 0.733 151.034 1.00 73.48 ? 158 ASP B CA 1 ATOM 3778 C C . ASP B 2 158 ? 16.883 0.996 151.760 1.00 74.15 ? 158 ASP B C 1 ATOM 3779 O O . ASP B 2 158 ? 16.777 1.931 152.555 1.00 86.86 ? 158 ASP B O 1 ATOM 3780 C CB . ASP B 2 158 ? 19.371 1.005 151.977 1.00 77.26 ? 158 ASP B CB 1 ATOM 3781 C CG . ASP B 2 158 ? 19.658 -0.160 152.902 1.00 82.31 ? 158 ASP B CG 1 ATOM 3782 O OD1 . ASP B 2 158 ? 18.901 -1.153 152.867 1.00 90.18 ? 158 ASP B OD1 1 ATOM 3783 O OD2 . ASP B 2 158 ? 20.641 -0.080 153.668 1.00 79.02 ? 158 ASP B OD2 1 ATOM 3784 N N . TYR B 2 159 ? 15.885 0.163 151.487 1.00 63.36 ? 159 TYR B N 1 ATOM 3785 C CA . TYR B 2 159 ? 14.592 0.270 152.161 1.00 61.76 ? 159 TYR B CA 1 ATOM 3786 C C . TYR B 2 159 ? 14.629 -0.025 153.675 1.00 80.11 ? 159 TYR B C 1 ATOM 3787 O O . TYR B 2 159 ? 14.129 0.779 154.461 1.00 90.04 ? 159 TYR B O 1 ATOM 3788 C CB . TYR B 2 159 ? 13.529 -0.588 151.460 1.00 58.20 ? 159 TYR B CB 1 ATOM 3789 C CG . TYR B 2 159 ? 12.201 -0.662 152.187 1.00 56.81 ? 159 TYR B CG 1 ATOM 3790 C CD1 . TYR B 2 159 ? 11.266 0.357 152.074 1.00 50.37 ? 159 TYR B CD1 1 ATOM 3791 C CD2 . TYR B 2 159 ? 11.879 -1.761 152.974 1.00 64.09 ? 159 TYR B CD2 1 ATOM 3792 C CE1 . TYR B 2 159 ? 10.052 0.289 152.730 1.00 52.54 ? 159 TYR B CE1 1 ATOM 3793 C CE2 . TYR B 2 159 ? 10.668 -1.840 153.635 1.00 66.48 ? 159 TYR B CE2 1 ATOM 3794 C CZ . TYR B 2 159 ? 9.757 -0.814 153.510 1.00 61.74 ? 159 TYR B CZ 1 ATOM 3795 O OH . TYR B 2 159 ? 8.554 -0.895 154.170 1.00 69.82 ? 159 TYR B OH 1 ATOM 3796 N N . PRO B 2 160 ? 15.216 -1.167 154.097 1.00 87.49 ? 160 PRO B N 1 ATOM 3797 C CA . PRO B 2 160 ? 15.146 -1.474 155.533 1.00 88.75 ? 160 PRO B CA 1 ATOM 3798 C C . PRO B 2 160 ? 15.911 -0.486 156.409 1.00 77.72 ? 160 PRO B C 1 ATOM 3799 O O . PRO B 2 160 ? 15.681 -0.435 157.618 1.00 82.89 ? 160 PRO B O 1 ATOM 3800 C CB . PRO B 2 160 ? 15.775 -2.867 155.627 1.00 93.94 ? 160 PRO B CB 1 ATOM 3801 C CG . PRO B 2 160 ? 16.636 -2.984 154.434 1.00 87.20 ? 160 PRO B CG 1 ATOM 3802 C CD . PRO B 2 160 ? 15.911 -2.231 153.350 1.00 83.98 ? 160 PRO B CD 1 ATOM 3803 N N . LYS B 2 161 ? 16.808 0.283 155.803 1.00 52.56 ? 161 LYS B N 1 ATOM 3804 C CA . LYS B 2 161 ? 17.549 1.298 156.534 1.00 56.86 ? 161 LYS B CA 1 ATOM 3805 C C . LYS B 2 161 ? 16.603 2.376 157.051 1.00 63.01 ? 161 LYS B C 1 ATOM 3806 O O . LYS B 2 161 ? 16.701 2.813 158.202 1.00 56.30 ? 161 LYS B O 1 ATOM 3807 C CB . LYS B 2 161 ? 18.616 1.924 155.637 1.00 51.20 ? 161 LYS B CB 1 ATOM 3808 C CG . LYS B 2 161 ? 19.382 3.057 156.294 1.00 53.04 ? 161 LYS B CG 1 ATOM 3809 C CD . LYS B 2 161 ? 20.578 3.466 155.453 1.00 60.57 ? 161 LYS B CD 1 ATOM 3810 C CE . LYS B 2 161 ? 21.324 4.624 156.094 1.00 67.19 ? 161 LYS B CE 1 ATOM 3811 N NZ . LYS B 2 161 ? 21.739 4.310 157.494 1.00 69.49 ? 161 LYS B NZ 1 ATOM 3812 N N . TYR B 2 162 ? 15.675 2.782 156.191 1.00 67.27 ? 162 TYR B N 1 ATOM 3813 C CA . TYR B 2 162 ? 14.776 3.887 156.489 1.00 64.47 ? 162 TYR B CA 1 ATOM 3814 C C . TYR B 2 162 ? 13.372 3.407 156.850 1.00 58.04 ? 162 TYR B C 1 ATOM 3815 O O . TYR B 2 162 ? 12.454 4.213 156.988 1.00 53.50 ? 162 TYR B O 1 ATOM 3816 C CB . TYR B 2 162 ? 14.711 4.843 155.294 1.00 58.94 ? 162 TYR B CB 1 ATOM 3817 C CG . TYR B 2 162 ? 16.056 5.380 154.845 1.00 66.07 ? 162 TYR B CG 1 ATOM 3818 C CD1 . TYR B 2 162 ? 16.610 6.508 155.439 1.00 71.20 ? 162 TYR B CD1 1 ATOM 3819 C CD2 . TYR B 2 162 ? 16.768 4.761 153.825 1.00 65.54 ? 162 TYR B CD2 1 ATOM 3820 C CE1 . TYR B 2 162 ? 17.839 7.002 155.030 1.00 69.77 ? 162 TYR B CE1 1 ATOM 3821 C CE2 . TYR B 2 162 ? 17.995 5.248 153.410 1.00 63.83 ? 162 TYR B CE2 1 ATOM 3822 C CZ . TYR B 2 162 ? 18.525 6.368 154.015 1.00 66.01 ? 162 TYR B CZ 1 ATOM 3823 O OH . TYR B 2 162 ? 19.748 6.852 153.604 1.00 63.98 ? 162 TYR B OH 1 ATOM 3824 N N . GLU B 2 163 ? 13.215 2.096 157.008 1.00 57.22 ? 163 GLU B N 1 ATOM 3825 C CA . GLU B 2 163 ? 11.910 1.497 157.288 1.00 65.75 ? 163 GLU B CA 1 ATOM 3826 C C . GLU B 2 163 ? 11.242 2.039 158.551 1.00 68.02 ? 163 GLU B C 1 ATOM 3827 O O . GLU B 2 163 ? 10.117 2.537 158.502 1.00 64.39 ? 163 GLU B O 1 ATOM 3828 C CB . GLU B 2 163 ? 12.031 -0.027 157.385 1.00 79.73 ? 163 GLU B CB 1 ATOM 3829 C CG . GLU B 2 163 ? 10.736 -0.734 157.759 1.00 88.05 ? 163 GLU B CG 1 ATOM 3830 C CD . GLU B 2 163 ? 10.890 -2.244 157.824 1.00 96.21 ? 163 GLU B CD 1 ATOM 3831 O OE1 . GLU B 2 163 ? 11.869 -2.770 157.252 1.00 94.15 ? 163 GLU B OE1 1 ATOM 3832 O OE2 . GLU B 2 163 ? 10.034 -2.905 158.449 1.00 99.37 ? 163 GLU B OE2 1 ATOM 3833 N N . GLU B 2 164 ? 11.937 1.939 159.680 1.00 79.67 ? 164 GLU B N 1 ATOM 3834 C CA . GLU B 2 164 ? 11.341 2.298 160.963 1.00 80.63 ? 164 GLU B CA 1 ATOM 3835 C C . GLU B 2 164 ? 11.141 3.800 161.144 1.00 69.18 ? 164 GLU B C 1 ATOM 3836 O O . GLU B 2 164 ? 10.136 4.231 161.713 1.00 67.31 ? 164 GLU B O 1 ATOM 3837 C CB . GLU B 2 164 ? 12.141 1.704 162.125 1.00 87.61 ? 164 GLU B CB 1 ATOM 3838 C CG . GLU B 2 164 ? 13.617 1.499 161.841 1.00 101.37 ? 164 GLU B CG 1 ATOM 3839 C CD . GLU B 2 164 ? 14.335 0.834 163.002 1.00 112.36 ? 164 GLU B CD 1 ATOM 3840 O OE1 . GLU B 2 164 ? 13.697 0.641 164.059 1.00 112.55 ? 164 GLU B OE1 1 ATOM 3841 O OE2 . GLU B 2 164 ? 15.532 0.504 162.859 1.00 112.24 ? 164 GLU B OE2 1 ATOM 3842 N N . GLU B 2 165 ? 12.086 4.595 160.653 1.00 57.80 ? 165 GLU B N 1 ATOM 3843 C CA . GLU B 2 165 ? 11.944 6.046 160.706 1.00 51.93 ? 165 GLU B CA 1 ATOM 3844 C C . GLU B 2 165 ? 10.775 6.506 159.849 1.00 46.01 ? 165 GLU B C 1 ATOM 3845 O O . GLU B 2 165 ? 10.035 7.413 160.228 1.00 41.10 ? 165 GLU B O 1 ATOM 3846 C CB . GLU B 2 165 ? 13.223 6.748 160.250 1.00 58.42 ? 165 GLU B CB 1 ATOM 3847 C CG . GLU B 2 165 ? 13.132 8.269 160.309 1.00 64.86 ? 165 GLU B CG 1 ATOM 3848 C CD . GLU B 2 165 ? 14.350 8.957 159.720 1.00 76.56 ? 165 GLU B CD 1 ATOM 3849 O OE1 . GLU B 2 165 ? 15.238 8.249 159.196 1.00 84.56 ? 165 GLU B OE1 1 ATOM 3850 O OE2 . GLU B 2 165 ? 14.415 10.206 159.779 1.00 73.15 ? 165 GLU B OE2 1 ATOM 3851 N N . SER B 2 166 ? 10.611 5.873 158.692 1.00 54.23 ? 166 SER B N 1 ATOM 3852 C CA . SER B 2 166 ? 9.535 6.240 157.782 1.00 61.25 ? 166 SER B CA 1 ATOM 3853 C C . SER B 2 166 ? 8.179 5.870 158.365 1.00 56.84 ? 166 SER B C 1 ATOM 3854 O O . SER B 2 166 ? 7.235 6.653 158.289 1.00 53.51 ? 166 SER B O 1 ATOM 3855 C CB . SER B 2 166 ? 9.725 5.583 156.414 1.00 69.10 ? 166 SER B CB 1 ATOM 3856 O OG . SER B 2 166 ? 10.968 5.961 155.847 1.00 77.06 ? 166 SER B OG 1 ATOM 3857 N N . LYS B 2 167 ? 8.095 4.680 158.952 1.00 55.01 ? 167 LYS B N 1 ATOM 3858 C CA . LYS B 2 167 ? 6.864 4.216 159.583 1.00 53.71 ? 167 LYS B CA 1 ATOM 3859 C C . LYS B 2 167 ? 6.365 5.185 160.655 1.00 65.57 ? 167 LYS B C 1 ATOM 3860 O O . LYS B 2 167 ? 5.183 5.535 160.682 1.00 79.32 ? 167 LYS B O 1 ATOM 3861 C CB . LYS B 2 167 ? 7.055 2.827 160.195 1.00 49.82 ? 167 LYS B CB 1 ATOM 3862 C CG . LYS B 2 167 ? 5.796 2.280 160.849 1.00 51.46 ? 167 LYS B CG 1 ATOM 3863 C CD . LYS B 2 167 ? 6.080 1.055 161.702 1.00 51.97 ? 167 LYS B CD 1 ATOM 3864 C CE . LYS B 2 167 ? 6.423 -0.162 160.857 1.00 54.72 ? 167 LYS B CE 1 ATOM 3865 N NZ . LYS B 2 167 ? 6.598 -1.375 161.708 1.00 56.16 ? 167 LYS B NZ 1 ATOM 3866 N N . LEU B 2 168 ? 7.269 5.617 161.529 1.00 55.31 ? 168 LEU B N 1 ATOM 3867 C CA . LEU B 2 168 ? 6.906 6.514 162.621 1.00 55.72 ? 168 LEU B CA 1 ATOM 3868 C C . LEU B 2 168 ? 6.434 7.873 162.105 1.00 64.56 ? 168 LEU B C 1 ATOM 3869 O O . LEU B 2 168 ? 5.448 8.426 162.594 1.00 74.07 ? 168 LEU B O 1 ATOM 3870 C CB . LEU B 2 168 ? 8.083 6.690 163.586 1.00 50.92 ? 168 LEU B CB 1 ATOM 3871 C CG . LEU B 2 168 ? 7.822 7.491 164.866 1.00 44.30 ? 168 LEU B CG 1 ATOM 3872 C CD1 . LEU B 2 168 ? 6.499 7.092 165.491 1.00 43.07 ? 168 LEU B CD1 1 ATOM 3873 C CD2 . LEU B 2 168 ? 8.952 7.276 165.855 1.00 49.71 ? 168 LEU B CD2 1 ATOM 3874 N N . ASN B 2 169 ? 7.144 8.400 161.114 1.00 53.59 ? 169 ASN B N 1 ATOM 3875 C CA . ASN B 2 169 ? 6.774 9.666 160.495 1.00 48.69 ? 169 ASN B CA 1 ATOM 3876 C C . ASN B 2 169 ? 5.538 9.531 159.611 1.00 53.77 ? 169 ASN B C 1 ATOM 3877 O O . ASN B 2 169 ? 4.881 10.525 159.288 1.00 54.47 ? 169 ASN B O 1 ATOM 3878 C CB . ASN B 2 169 ? 7.944 10.235 159.692 1.00 48.30 ? 169 ASN B CB 1 ATOM 3879 C CG . ASN B 2 169 ? 8.902 11.048 160.549 1.00 55.75 ? 169 ASN B CG 1 ATOM 3880 O OD1 . ASN B 2 169 ? 8.478 11.820 161.410 1.00 63.02 ? 169 ASN B OD1 1 ATOM 3881 N ND2 . ASN B 2 169 ? 10.200 10.881 160.313 1.00 54.66 ? 169 ASN B ND2 1 ATOM 3882 N N . ARG B 2 170 ? 5.225 8.297 159.223 1.00 58.37 ? 170 ARG B N 1 ATOM 3883 C CA . ARG B 2 170 ? 4.059 8.025 158.387 1.00 54.12 ? 170 ARG B CA 1 ATOM 3884 C C . ARG B 2 170 ? 2.777 8.068 159.213 1.00 64.99 ? 170 ARG B C 1 ATOM 3885 O O . ARG B 2 170 ? 1.781 8.659 158.798 1.00 77.46 ? 170 ARG B O 1 ATOM 3886 C CB . ARG B 2 170 ? 4.199 6.669 157.684 1.00 48.48 ? 170 ARG B CB 1 ATOM 3887 C CG . ARG B 2 170 ? 3.035 6.308 156.771 1.00 48.79 ? 170 ARG B CG 1 ATOM 3888 C CD . ARG B 2 170 ? 3.368 5.134 155.852 1.00 41.44 ? 170 ARG B CD 1 ATOM 3889 N NE . ARG B 2 170 ? 3.769 3.934 156.584 1.00 50.79 ? 170 ARG B NE 1 ATOM 3890 C CZ . ARG B 2 170 ? 4.956 3.347 156.463 1.00 63.02 ? 170 ARG B CZ 1 ATOM 3891 N NH1 . ARG B 2 170 ? 5.863 3.847 155.635 1.00 73.81 ? 170 ARG B NH1 1 ATOM 3892 N NH2 . ARG B 2 170 ? 5.238 2.257 157.166 1.00 60.82 ? 170 ARG B NH2 1 ATOM 3893 N N . ASN B 2 171 ? 2.810 7.448 160.388 1.00 63.95 ? 171 ASN B N 1 ATOM 3894 C CA . ASN B 2 171 ? 1.656 7.441 161.282 1.00 67.94 ? 171 ASN B CA 1 ATOM 3895 C C . ASN B 2 171 ? 1.655 8.652 162.213 1.00 68.12 ? 171 ASN B C 1 ATOM 3896 O O . ASN B 2 171 ? 0.998 8.653 163.254 1.00 60.94 ? 171 ASN B O 1 ATOM 3897 C CB . ASN B 2 171 ? 1.618 6.148 162.096 1.00 67.07 ? 171 ASN B CB 1 ATOM 3898 C CG . ASN B 2 171 ? 1.897 4.919 161.250 1.00 57.04 ? 171 ASN B CG 1 ATOM 3899 O OD1 . ASN B 2 171 ? 2.772 4.117 161.575 1.00 61.93 ? 171 ASN B OD1 1 ATOM 3900 N ND2 . ASN B 2 171 ? 1.159 4.769 160.154 1.00 43.31 ? 171 ASN B ND2 1 ATOM 3901 N N . GLU B 2 172 ? 2.402 9.681 161.826 1.00 79.88 ? 172 GLU B N 1 ATOM 3902 C CA . GLU B 2 172 ? 2.513 10.908 162.606 1.00 81.76 ? 172 GLU B CA 1 ATOM 3903 C C . GLU B 2 172 ? 1.218 11.711 162.538 1.00 69.45 ? 172 GLU B C 1 ATOM 3904 O O . GLU B 2 172 ? 0.542 11.902 163.545 1.00 62.79 ? 172 GLU B O 1 ATOM 3905 C CB . GLU B 2 172 ? 3.682 11.748 162.084 1.00 94.14 ? 172 GLU B CB 1 ATOM 3906 C CG . GLU B 2 172 ? 4.002 12.983 162.908 1.00 108.04 ? 172 GLU B CG 1 ATOM 3907 C CD . GLU B 2 172 ? 5.130 13.801 162.304 1.00 121.39 ? 172 GLU B CD 1 ATOM 3908 O OE1 . GLU B 2 172 ? 4.950 14.340 161.190 1.00 123.76 ? 172 GLU B OE1 1 ATOM 3909 O OE2 . GLU B 2 172 ? 6.202 13.899 162.938 1.00 126.49 ? 172 GLU B OE2 1 ATOM 3910 N N . VAL C 3 2 ? 11.803 42.153 39.693 1.00 100.63 ? 2 VAL H N 1 ATOM 3911 C CA . VAL C 3 2 ? 12.967 41.370 39.293 1.00 94.64 ? 2 VAL H CA 1 ATOM 3912 C C . VAL C 3 2 ? 13.138 41.411 37.777 1.00 95.09 ? 2 VAL H C 1 ATOM 3913 O O . VAL C 3 2 ? 12.176 41.242 37.027 1.00 91.85 ? 2 VAL H O 1 ATOM 3914 C CB . VAL C 3 2 ? 12.857 39.912 39.783 1.00 84.47 ? 2 VAL H CB 1 ATOM 3915 C CG1 . VAL C 3 2 ? 14.031 39.081 39.283 1.00 77.07 ? 2 VAL H CG1 1 ATOM 3916 C CG2 . VAL C 3 2 ? 12.782 39.879 41.301 1.00 78.39 ? 2 VAL H CG2 1 ATOM 3917 N N . GLN C 3 3 ? 14.369 41.642 37.332 1.00 100.94 ? 3 GLN H N 1 ATOM 3918 C CA . GLN C 3 3 ? 14.625 41.905 35.924 1.00 96.13 ? 3 GLN H CA 1 ATOM 3919 C C . GLN C 3 3 ? 15.386 40.788 35.219 1.00 87.07 ? 3 GLN H C 1 ATOM 3920 O O . GLN C 3 3 ? 16.558 40.545 35.502 1.00 85.94 ? 3 GLN H O 1 ATOM 3921 C CB . GLN C 3 3 ? 15.388 43.223 35.772 1.00 99.79 ? 3 GLN H CB 1 ATOM 3922 C CG . GLN C 3 3 ? 14.855 44.340 36.650 1.00 105.74 ? 3 GLN H CG 1 ATOM 3923 C CD . GLN C 3 3 ? 14.718 45.654 35.909 1.00 110.04 ? 3 GLN H CD 1 ATOM 3924 O OE1 . GLN C 3 3 ? 15.401 45.897 34.914 1.00 110.97 ? 3 GLN H OE1 1 ATOM 3925 N NE2 . GLN C 3 3 ? 13.824 46.509 36.390 1.00 112.13 ? 3 GLN H NE2 1 ATOM 3926 N N . LEU C 3 4 ? 14.709 40.110 34.300 1.00 76.98 ? 4 LEU H N 1 ATOM 3927 C CA . LEU C 3 4 ? 15.380 39.198 33.389 1.00 68.78 ? 4 LEU H CA 1 ATOM 3928 C C . LEU C 3 4 ? 15.715 39.988 32.139 1.00 71.74 ? 4 LEU H C 1 ATOM 3929 O O . LEU C 3 4 ? 14.824 40.376 31.389 1.00 72.14 ? 4 LEU H O 1 ATOM 3930 C CB . LEU C 3 4 ? 14.469 38.028 33.028 1.00 61.76 ? 4 LEU H CB 1 ATOM 3931 C CG . LEU C 3 4 ? 14.003 37.143 34.184 1.00 64.75 ? 4 LEU H CG 1 ATOM 3932 C CD1 . LEU C 3 4 ? 12.572 36.699 33.952 1.00 63.74 ? 4 LEU H CD1 1 ATOM 3933 C CD2 . LEU C 3 4 ? 14.909 35.937 34.336 1.00 65.20 ? 4 LEU H CD2 1 ATOM 3934 N N . VAL C 3 5 ? 16.995 40.251 31.923 1.00 72.69 ? 5 VAL H N 1 ATOM 3935 C CA . VAL C 3 5 ? 17.402 41.008 30.751 1.00 67.49 ? 5 VAL H CA 1 ATOM 3936 C C . VAL C 3 5 ? 18.219 40.135 29.802 1.00 67.18 ? 5 VAL H C 1 ATOM 3937 O O . VAL C 3 5 ? 19.044 39.326 30.232 1.00 69.25 ? 5 VAL H O 1 ATOM 3938 C CB . VAL C 3 5 ? 18.156 42.305 31.138 1.00 71.29 ? 5 VAL H CB 1 ATOM 3939 C CG1 . VAL C 3 5 ? 19.454 41.985 31.865 1.00 62.98 ? 5 VAL H CG1 1 ATOM 3940 C CG2 . VAL C 3 5 ? 18.405 43.170 29.912 1.00 83.81 ? 5 VAL H CG2 1 ATOM 3941 N N . GLU C 3 6 ? 17.959 40.282 28.508 1.00 63.73 ? 6 GLU H N 1 ATOM 3942 C CA . GLU C 3 6 ? 18.598 39.442 27.506 1.00 70.61 ? 6 GLU H CA 1 ATOM 3943 C C . GLU C 3 6 ? 19.199 40.247 26.357 1.00 76.39 ? 6 GLU H C 1 ATOM 3944 O O . GLU C 3 6 ? 18.968 41.451 26.237 1.00 78.46 ? 6 GLU H O 1 ATOM 3945 C CB . GLU C 3 6 ? 17.594 38.421 26.964 1.00 67.99 ? 6 GLU H CB 1 ATOM 3946 C CG . GLU C 3 6 ? 16.138 38.809 27.158 1.00 66.71 ? 6 GLU H CG 1 ATOM 3947 C CD . GLU C 3 6 ? 15.182 37.774 26.593 1.00 75.24 ? 6 GLU H CD 1 ATOM 3948 O OE1 . GLU C 3 6 ? 15.661 36.783 26.001 1.00 77.83 ? 6 GLU H OE1 1 ATOM 3949 O OE2 . GLU C 3 6 ? 13.954 37.949 26.740 1.00 77.99 ? 6 GLU H OE2 1 ATOM 3950 N N . SER C 3 7 ? 19.977 39.570 25.519 1.00 81.78 ? 7 SER H N 1 ATOM 3951 C CA . SER C 3 7 ? 20.506 40.180 24.310 1.00 82.73 ? 7 SER H CA 1 ATOM 3952 C C . SER C 3 7 ? 19.356 40.444 23.352 1.00 84.56 ? 7 SER H C 1 ATOM 3953 O O . SER C 3 7 ? 18.317 39.793 23.428 1.00 85.55 ? 7 SER H O 1 ATOM 3954 C CB . SER C 3 7 ? 21.546 39.267 23.658 1.00 78.86 ? 7 SER H CB 1 ATOM 3955 O OG . SER C 3 7 ? 22.054 39.834 22.460 1.00 76.34 ? 7 SER H OG 1 ATOM 3956 N N . GLY C 3 8 ? 19.542 41.401 22.452 1.00 65.48 ? 8 GLY H N 1 ATOM 3957 C CA . GLY C 3 8 ? 18.500 41.744 21.506 1.00 62.03 ? 8 GLY H CA 1 ATOM 3958 C C . GLY C 3 8 ? 18.988 41.772 20.072 1.00 68.58 ? 8 GLY H C 1 ATOM 3959 O O . GLY C 3 8 ? 20.181 41.946 19.816 1.00 66.77 ? 8 GLY H O 1 ATOM 3960 N N . ALA C 3 9 ? 18.052 41.585 19.144 1.00 96.83 ? 9 ALA H N 1 ATOM 3961 C CA . ALA C 3 9 ? 18.300 41.744 17.711 1.00 99.52 ? 9 ALA H CA 1 ATOM 3962 C C . ALA C 3 9 ? 19.467 40.909 17.192 1.00 94.42 ? 9 ALA H C 1 ATOM 3963 O O . ALA C 3 9 ? 20.604 41.379 17.138 1.00 99.07 ? 9 ALA H O 1 ATOM 3964 C CB . ALA C 3 9 ? 18.507 43.215 17.373 1.00 102.23 ? 9 ALA H CB 1 ATOM 3965 N N . ASP C 3 10 ? 19.177 39.670 16.812 1.00 73.70 ? 10 ASP H N 1 ATOM 3966 C CA . ASP C 3 10 ? 20.191 38.778 16.263 1.00 71.87 ? 10 ASP H CA 1 ATOM 3967 C C . ASP C 3 10 ? 19.862 38.427 14.812 1.00 65.21 ? 10 ASP H C 1 ATOM 3968 O O . ASP C 3 10 ? 18.702 38.196 14.465 1.00 64.59 ? 10 ASP H O 1 ATOM 3969 C CB . ASP C 3 10 ? 20.307 37.506 17.107 1.00 84.09 ? 10 ASP H CB 1 ATOM 3970 C CG . ASP C 3 10 ? 21.744 37.176 17.470 1.00 93.18 ? 10 ASP H CG 1 ATOM 3971 O OD1 . ASP C 3 10 ? 22.661 37.696 16.799 1.00 100.93 ? 10 ASP H OD1 1 ATOM 3972 O OD2 . ASP C 3 10 ? 21.957 36.395 18.422 1.00 87.90 ? 10 ASP H OD2 1 ATOM 3973 N N . MET C 3 11 ? 20.892 38.397 13.972 1.00 61.15 ? 11 MET H N 1 ATOM 3974 C CA . MET C 3 11 ? 20.741 38.105 12.550 1.00 56.10 ? 11 MET H CA 1 ATOM 3975 C C . MET C 3 11 ? 21.683 36.977 12.142 1.00 50.83 ? 11 MET H C 1 ATOM 3976 O O . MET C 3 11 ? 22.902 37.145 12.161 1.00 59.13 ? 11 MET H O 1 ATOM 3977 C CB . MET C 3 11 ? 21.042 39.357 11.721 1.00 51.44 ? 11 MET H CB 1 ATOM 3978 C CG . MET C 3 11 ? 19.933 40.399 11.713 1.00 49.74 ? 11 MET H CG 1 ATOM 3979 S SD . MET C 3 11 ? 20.559 42.064 11.413 1.00 84.60 ? 11 MET H SD 1 ATOM 3980 C CE . MET C 3 11 ? 21.888 41.737 10.254 1.00 33.80 ? 11 MET H CE 1 ATOM 3981 N N . LYS C 3 12 ? 21.120 35.831 11.768 1.00 31.82 ? 12 LYS H N 1 ATOM 3982 C CA . LYS C 3 12 ? 21.931 34.654 11.459 1.00 34.55 ? 12 LYS H CA 1 ATOM 3983 C C . LYS C 3 12 ? 21.489 33.942 10.177 1.00 38.74 ? 12 LYS H C 1 ATOM 3984 O O . LYS C 3 12 ? 20.313 33.973 9.822 1.00 31.25 ? 12 LYS H O 1 ATOM 3985 C CB . LYS C 3 12 ? 21.916 33.676 12.640 1.00 34.78 ? 12 LYS H CB 1 ATOM 3986 C CG . LYS C 3 12 ? 22.767 34.121 13.820 1.00 29.61 ? 12 LYS H CG 1 ATOM 3987 C CD . LYS C 3 12 ? 24.199 34.401 13.384 1.00 51.17 ? 12 LYS H CD 1 ATOM 3988 C CE . LYS C 3 12 ? 25.050 34.907 14.544 1.00 51.04 ? 12 LYS H CE 1 ATOM 3989 N NZ . LYS C 3 12 ? 25.289 33.858 15.581 1.00 48.20 ? 12 LYS H NZ 1 ATOM 3990 N N . PRO C 3 13 ? 22.441 33.303 9.473 1.00 41.39 ? 13 PRO H N 1 ATOM 3991 C CA . PRO C 3 13 ? 22.143 32.527 8.263 1.00 38.60 ? 13 PRO H CA 1 ATOM 3992 C C . PRO C 3 13 ? 21.499 31.189 8.602 1.00 43.62 ? 13 PRO H C 1 ATOM 3993 O O . PRO C 3 13 ? 21.663 30.711 9.722 1.00 53.05 ? 13 PRO H O 1 ATOM 3994 C CB . PRO C 3 13 ? 23.528 32.276 7.655 1.00 27.75 ? 13 PRO H CB 1 ATOM 3995 C CG . PRO C 3 13 ? 24.459 33.202 8.367 1.00 28.20 ? 13 PRO H CG 1 ATOM 3996 C CD . PRO C 3 13 ? 23.889 33.391 9.722 1.00 32.02 ? 13 PRO H CD 1 ATOM 3997 N N . PRO C 3 14 ? 20.773 30.587 7.647 1.00 42.00 ? 14 PRO H N 1 ATOM 3998 C CA . PRO C 3 14 ? 20.251 29.235 7.871 1.00 37.86 ? 14 PRO H CA 1 ATOM 3999 C C . PRO C 3 14 ? 21.394 28.231 7.975 1.00 38.89 ? 14 PRO H C 1 ATOM 4000 O O . PRO C 3 14 ? 22.381 28.352 7.248 1.00 36.16 ? 14 PRO H O 1 ATOM 4001 C CB . PRO C 3 14 ? 19.430 28.961 6.607 1.00 42.61 ? 14 PRO H CB 1 ATOM 4002 C CG . PRO C 3 14 ? 19.142 30.306 6.029 1.00 46.38 ? 14 PRO H CG 1 ATOM 4003 C CD . PRO C 3 14 ? 20.336 31.141 6.356 1.00 43.83 ? 14 PRO H CD 1 ATOM 4004 N N . GLY C 3 15 ? 21.263 27.261 8.874 1.00 46.60 ? 15 GLY H N 1 ATOM 4005 C CA . GLY C 3 15 ? 22.284 26.243 9.052 1.00 50.95 ? 15 GLY H CA 1 ATOM 4006 C C . GLY C 3 15 ? 23.321 26.624 10.090 1.00 53.50 ? 15 GLY H C 1 ATOM 4007 O O . GLY C 3 15 ? 24.260 25.874 10.353 1.00 53.39 ? 15 GLY H O 1 ATOM 4008 N N . SER C 3 16 ? 23.150 27.799 10.684 1.00 51.28 ? 16 SER H N 1 ATOM 4009 C CA . SER C 3 16 ? 24.055 28.270 11.724 1.00 44.26 ? 16 SER H CA 1 ATOM 4010 C C . SER C 3 16 ? 23.354 28.266 13.070 1.00 37.79 ? 16 SER H C 1 ATOM 4011 O O . SER C 3 16 ? 22.128 28.206 13.139 1.00 37.87 ? 16 SER H O 1 ATOM 4012 C CB . SER C 3 16 ? 24.557 29.678 11.404 1.00 52.60 ? 16 SER H CB 1 ATOM 4013 O OG . SER C 3 16 ? 23.476 30.543 11.099 1.00 68.57 ? 16 SER H OG 1 ATOM 4014 N N . SER C 3 17 ? 24.135 28.334 14.141 1.00 35.49 ? 17 SER H N 1 ATOM 4015 C CA . SER C 3 17 ? 23.574 28.252 15.481 1.00 37.03 ? 17 SER H CA 1 ATOM 4016 C C . SER C 3 17 ? 23.506 29.615 16.159 1.00 45.01 ? 17 SER H C 1 ATOM 4017 O O . SER C 3 17 ? 24.293 30.514 15.863 1.00 46.00 ? 17 SER H O 1 ATOM 4018 C CB . SER C 3 17 ? 24.372 27.269 16.344 1.00 37.76 ? 17 SER H CB 1 ATOM 4019 O OG . SER C 3 17 ? 25.721 27.681 16.477 1.00 42.05 ? 17 SER H OG 1 ATOM 4020 N N . VAL C 3 18 ? 22.548 29.759 17.065 1.00 54.77 ? 18 VAL H N 1 ATOM 4021 C CA . VAL C 3 18 ? 22.446 30.945 17.899 1.00 54.65 ? 18 VAL H CA 1 ATOM 4022 C C . VAL C 3 18 ? 22.490 30.538 19.355 1.00 60.77 ? 18 VAL H C 1 ATOM 4023 O O . VAL C 3 18 ? 22.228 29.387 19.691 1.00 72.45 ? 18 VAL H O 1 ATOM 4024 C CB . VAL C 3 18 ? 21.127 31.698 17.674 1.00 45.65 ? 18 VAL H CB 1 ATOM 4025 C CG1 . VAL C 3 18 ? 21.373 32.974 16.902 1.00 42.06 ? 18 VAL H CG1 1 ATOM 4026 C CG2 . VAL C 3 18 ? 20.116 30.806 16.973 1.00 52.78 ? 18 VAL H CG2 1 ATOM 4027 N N . LYS C 3 19 ? 22.821 31.492 20.215 1.00 43.62 ? 19 LYS H N 1 ATOM 4028 C CA . LYS C 3 19 ? 22.812 31.265 21.650 1.00 38.77 ? 19 LYS H CA 1 ATOM 4029 C C . LYS C 3 19 ? 22.284 32.521 22.332 1.00 38.60 ? 19 LYS H C 1 ATOM 4030 O O . LYS C 3 19 ? 22.993 33.518 22.448 1.00 47.36 ? 19 LYS H O 1 ATOM 4031 C CB . LYS C 3 19 ? 24.220 30.921 22.140 1.00 41.20 ? 19 LYS H CB 1 ATOM 4032 C CG . LYS C 3 19 ? 24.278 30.218 23.484 1.00 36.94 ? 19 LYS H CG 1 ATOM 4033 C CD . LYS C 3 19 ? 25.581 29.446 23.610 1.00 42.33 ? 19 LYS H CD 1 ATOM 4034 C CE . LYS C 3 19 ? 25.866 29.040 25.043 1.00 49.33 ? 19 LYS H CE 1 ATOM 4035 N NZ . LYS C 3 19 ? 27.129 28.253 25.127 1.00 53.34 ? 19 LYS H NZ 1 ATOM 4036 N N . VAL C 3 20 ? 21.026 32.468 22.760 1.00 37.84 ? 20 VAL H N 1 ATOM 4037 C CA . VAL C 3 20 ? 20.355 33.611 23.366 1.00 44.34 ? 20 VAL H CA 1 ATOM 4038 C C . VAL C 3 20 ? 20.502 33.599 24.885 1.00 50.66 ? 20 VAL H C 1 ATOM 4039 O O . VAL C 3 20 ? 19.924 32.743 25.560 1.00 48.85 ? 20 VAL H O 1 ATOM 4040 C CB . VAL C 3 20 ? 18.850 33.606 23.036 1.00 46.05 ? 20 VAL H CB 1 ATOM 4041 C CG1 . VAL C 3 20 ? 18.225 34.942 23.406 1.00 52.99 ? 20 VAL H CG1 1 ATOM 4042 C CG2 . VAL C 3 20 ? 18.626 33.289 21.569 1.00 33.67 ? 20 VAL H CG2 1 ATOM 4043 N N . PRO C 3 21 ? 21.274 34.553 25.429 1.00 46.24 ? 21 PRO H N 1 ATOM 4044 C CA . PRO C 3 21 ? 21.523 34.649 26.872 1.00 52.91 ? 21 PRO H CA 1 ATOM 4045 C C . PRO C 3 21 ? 20.354 35.274 27.626 1.00 51.01 ? 21 PRO H C 1 ATOM 4046 O O . PRO C 3 21 ? 19.565 36.007 27.034 1.00 45.67 ? 21 PRO H O 1 ATOM 4047 C CB . PRO C 3 21 ? 22.751 35.568 26.958 1.00 34.26 ? 21 PRO H CB 1 ATOM 4048 C CG . PRO C 3 21 ? 23.249 35.713 25.542 1.00 40.08 ? 21 PRO H CG 1 ATOM 4049 C CD . PRO C 3 21 ? 22.043 35.559 24.686 1.00 37.06 ? 21 PRO H CD 1 ATOM 4050 N N . CYS C 3 22 ? 20.250 34.977 28.917 1.00 51.41 ? 22 CYS H N 1 ATOM 4051 C CA . CYS C 3 22 ? 19.189 35.530 29.751 1.00 51.20 ? 22 CYS H CA 1 ATOM 4052 C C . CYS C 3 22 ? 19.709 35.776 31.159 1.00 56.65 ? 22 CYS H C 1 ATOM 4053 O O . CYS C 3 22 ? 19.773 34.858 31.979 1.00 53.09 ? 22 CYS H O 1 ATOM 4054 C CB . CYS C 3 22 ? 17.985 34.590 29.783 1.00 52.36 ? 22 CYS H CB 1 ATOM 4055 S SG . CYS C 3 22 ? 16.620 35.134 30.832 1.00 56.94 ? 22 CYS H SG 1 ATOM 4056 N N . LYS C 3 23 ? 20.085 37.022 31.430 1.00 60.12 ? 23 LYS H N 1 ATOM 4057 C CA . LYS C 3 23 ? 20.698 37.374 32.702 1.00 63.22 ? 23 LYS H CA 1 ATOM 4058 C C . LYS C 3 23 ? 19.647 37.745 33.745 1.00 70.74 ? 23 LYS H C 1 ATOM 4059 O O . LYS C 3 23 ? 18.686 38.456 33.451 1.00 65.83 ? 23 LYS H O 1 ATOM 4060 C CB . LYS C 3 23 ? 21.693 38.517 32.510 1.00 64.38 ? 23 LYS H CB 1 ATOM 4061 C CG . LYS C 3 23 ? 22.640 38.713 33.676 1.00 71.19 ? 23 LYS H CG 1 ATOM 4062 C CD . LYS C 3 23 ? 23.671 39.778 33.363 1.00 75.64 ? 23 LYS H CD 1 ATOM 4063 C CE . LYS C 3 23 ? 24.670 39.921 34.494 1.00 73.79 ? 23 LYS H CE 1 ATOM 4064 N NZ . LYS C 3 23 ? 25.459 38.673 34.694 1.00 67.32 ? 23 LYS H NZ 1 ATOM 4065 N N . ALA C 3 24 ? 19.841 37.254 34.965 1.00 72.64 ? 24 ALA H N 1 ATOM 4066 C CA . ALA C 3 24 ? 18.875 37.448 36.037 1.00 71.69 ? 24 ALA H CA 1 ATOM 4067 C C . ALA C 3 24 ? 19.355 38.471 37.060 1.00 92.16 ? 24 ALA H C 1 ATOM 4068 O O . ALA C 3 24 ? 20.293 38.213 37.817 1.00 99.12 ? 24 ALA H O 1 ATOM 4069 C CB . ALA C 3 24 ? 18.574 36.121 36.715 1.00 58.91 ? 24 ALA H CB 1 ATOM 4070 N N . SER C 3 25 ? 18.705 39.631 37.082 1.00 103.40 ? 25 SER H N 1 ATOM 4071 C CA . SER C 3 25 ? 19.028 40.677 38.049 1.00 101.73 ? 25 SER H CA 1 ATOM 4072 C C . SER C 3 25 ? 17.878 40.855 39.036 1.00 103.62 ? 25 SER H C 1 ATOM 4073 O O . SER C 3 25 ? 16.712 40.713 38.674 1.00 103.02 ? 25 SER H O 1 ATOM 4074 C CB . SER C 3 25 ? 19.295 42.000 37.331 1.00 101.04 ? 25 SER H CB 1 ATOM 4075 O OG . SER C 3 25 ? 20.181 41.813 36.235 1.00 100.39 ? 25 SER H OG 1 ATOM 4076 N N . GLY C 3 26 ? 18.213 41.178 40.281 1.00 103.82 ? 26 GLY H N 1 ATOM 4077 C CA . GLY C 3 26 ? 17.232 41.320 41.343 1.00 107.27 ? 26 GLY H CA 1 ATOM 4078 C C . GLY C 3 26 ? 17.670 40.472 42.518 1.00 111.64 ? 26 GLY H C 1 ATOM 4079 O O . GLY C 3 26 ? 18.827 40.531 42.929 1.00 111.18 ? 26 GLY H O 1 ATOM 4080 N N . ASP C 3 27 ? 16.755 39.681 43.066 1.00 124.60 ? 27 ASP H N 1 ATOM 4081 C CA . ASP C 3 27 ? 17.150 38.700 44.067 1.00 129.88 ? 27 ASP H CA 1 ATOM 4082 C C . ASP C 3 27 ? 17.252 37.313 43.438 1.00 127.71 ? 27 ASP H C 1 ATOM 4083 O O . ASP C 3 27 ? 16.254 36.613 43.258 1.00 122.49 ? 27 ASP H O 1 ATOM 4084 C CB . ASP C 3 27 ? 16.233 38.722 45.303 1.00 131.97 ? 27 ASP H CB 1 ATOM 4085 C CG . ASP C 3 27 ? 14.774 38.443 44.972 1.00 131.77 ? 27 ASP H CG 1 ATOM 4086 O OD1 . ASP C 3 27 ? 14.357 38.681 43.819 1.00 136.92 ? 27 ASP H OD1 1 ATOM 4087 O OD2 . ASP C 3 27 ? 14.043 37.983 45.875 1.00 125.53 ? 27 ASP H OD2 1 ATOM 4088 N N . THR C 3 28 ? 18.478 36.937 43.092 1.00 131.78 ? 28 THR H N 1 ATOM 4089 C CA . THR C 3 28 ? 18.737 35.676 42.413 1.00 130.67 ? 28 THR H CA 1 ATOM 4090 C C . THR C 3 28 ? 18.632 34.481 43.353 1.00 137.46 ? 28 THR H C 1 ATOM 4091 O O . THR C 3 28 ? 19.484 34.276 44.219 1.00 141.46 ? 28 THR H O 1 ATOM 4092 C CB . THR C 3 28 ? 20.126 35.669 41.732 1.00 123.66 ? 28 THR H CB 1 ATOM 4093 O OG1 . THR C 3 28 ? 20.872 34.527 42.173 1.00 121.42 ? 28 THR H OG1 1 ATOM 4094 C CG2 . THR C 3 28 ? 20.901 36.942 42.066 1.00 119.91 ? 28 THR H CG2 1 ATOM 4095 N N . PHE C 3 29 ? 17.572 33.699 43.180 1.00 140.55 ? 29 PHE H N 1 ATOM 4096 C CA . PHE C 3 29 ? 17.398 32.461 43.931 1.00 137.71 ? 29 PHE H CA 1 ATOM 4097 C C . PHE C 3 29 ? 18.130 31.329 43.230 1.00 127.80 ? 29 PHE H C 1 ATOM 4098 O O . PHE C 3 29 ? 18.883 30.578 43.851 1.00 121.82 ? 29 PHE H O 1 ATOM 4099 C CB . PHE C 3 29 ? 15.917 32.101 44.050 1.00 137.77 ? 29 PHE H CB 1 ATOM 4100 C CG . PHE C 3 29 ? 15.115 33.083 44.852 1.00 139.57 ? 29 PHE H CG 1 ATOM 4101 C CD1 . PHE C 3 29 ? 15.319 33.210 46.216 1.00 138.74 ? 29 PHE H CD1 1 ATOM 4102 C CD2 . PHE C 3 29 ? 14.141 33.862 44.248 1.00 140.52 ? 29 PHE H CD2 1 ATOM 4103 C CE1 . PHE C 3 29 ? 14.579 34.105 46.959 1.00 139.30 ? 29 PHE H CE1 1 ATOM 4104 C CE2 . PHE C 3 29 ? 13.396 34.760 44.987 1.00 142.47 ? 29 PHE H CE2 1 ATOM 4105 C CZ . PHE C 3 29 ? 13.615 34.881 46.346 1.00 141.70 ? 29 PHE H CZ 1 ATOM 4106 N N . SER C 3 30 ? 17.886 31.215 41.926 1.00 111.66 ? 30 SER H N 1 ATOM 4107 C CA . SER C 3 30 ? 18.429 30.134 41.093 1.00 100.47 ? 30 SER H CA 1 ATOM 4108 C C . SER C 3 30 ? 18.025 28.734 41.570 1.00 90.61 ? 30 SER H C 1 ATOM 4109 O O . SER C 3 30 ? 18.624 27.733 41.173 1.00 83.86 ? 30 SER H O 1 ATOM 4110 C CB . SER C 3 30 ? 19.949 30.265 40.929 1.00 96.40 ? 30 SER H CB 1 ATOM 4111 O OG . SER C 3 30 ? 20.264 31.377 40.090 1.00 81.09 ? 30 SER H OG 1 ATOM 4112 N N . SER C 3 31 ? 17.005 28.682 42.422 1.00 87.62 ? 31 SER H N 1 ATOM 4113 C CA . SER C 3 31 ? 16.265 27.454 42.668 1.00 79.01 ? 31 SER H CA 1 ATOM 4114 C C . SER C 3 31 ? 14.981 27.607 41.876 1.00 72.34 ? 31 SER H C 1 ATOM 4115 O O . SER C 3 31 ? 14.134 26.715 41.847 1.00 67.93 ? 31 SER H O 1 ATOM 4116 C CB . SER C 3 31 ? 15.950 27.282 44.155 1.00 83.63 ? 31 SER H CB 1 ATOM 4117 O OG . SER C 3 31 ? 14.910 28.158 44.562 1.00 91.42 ? 31 SER H OG 1 ATOM 4118 N N . TYR C 3 32 ? 14.856 28.768 41.240 1.00 75.41 ? 32 TYR H N 1 ATOM 4119 C CA . TYR C 3 32 ? 13.703 29.101 40.417 1.00 73.17 ? 32 TYR H CA 1 ATOM 4120 C C . TYR C 3 32 ? 13.983 28.756 38.962 1.00 74.13 ? 32 TYR H C 1 ATOM 4121 O O . TYR C 3 32 ? 15.134 28.767 38.523 1.00 73.53 ? 32 TYR H O 1 ATOM 4122 C CB . TYR C 3 32 ? 13.360 30.585 40.562 1.00 74.18 ? 32 TYR H CB 1 ATOM 4123 C CG . TYR C 3 32 ? 12.498 30.895 41.766 1.00 86.05 ? 32 TYR H CG 1 ATOM 4124 C CD1 . TYR C 3 32 ? 11.373 31.701 41.651 1.00 94.01 ? 32 TYR H CD1 1 ATOM 4125 C CD2 . TYR C 3 32 ? 12.801 30.369 43.016 1.00 87.10 ? 32 TYR H CD2 1 ATOM 4126 C CE1 . TYR C 3 32 ? 10.580 31.982 42.750 1.00 93.32 ? 32 TYR H CE1 1 ATOM 4127 C CE2 . TYR C 3 32 ? 12.013 30.642 44.120 1.00 85.47 ? 32 TYR H CE2 1 ATOM 4128 C CZ . TYR C 3 32 ? 10.904 31.449 43.982 1.00 82.25 ? 32 TYR H CZ 1 ATOM 4129 O OH . TYR C 3 32 ? 10.114 31.726 45.074 1.00 64.14 ? 32 TYR H OH 1 ATOM 4130 N N . THR C 3 33 ? 12.925 28.453 38.218 1.00 73.28 ? 33 THR H N 1 ATOM 4131 C CA . THR C 3 33 ? 13.071 27.928 36.867 1.00 65.47 ? 33 THR H CA 1 ATOM 4132 C C . THR C 3 33 ? 12.941 28.995 35.789 1.00 61.65 ? 33 THR H C 1 ATOM 4133 O O . THR C 3 33 ? 11.959 29.737 35.740 1.00 58.73 ? 33 THR H O 1 ATOM 4134 C CB . THR C 3 33 ? 12.045 26.815 36.591 1.00 59.72 ? 33 THR H CB 1 ATOM 4135 O OG1 . THR C 3 33 ? 12.162 25.799 37.594 1.00 58.50 ? 33 THR H OG1 1 ATOM 4136 C CG2 . THR C 3 33 ? 12.274 26.202 35.217 1.00 58.77 ? 33 THR H CG2 1 ATOM 4137 N N . ILE C 3 34 ? 13.948 29.062 34.926 1.00 61.01 ? 34 ILE H N 1 ATOM 4138 C CA . ILE C 3 34 ? 13.900 29.921 33.755 1.00 54.82 ? 34 ILE H CA 1 ATOM 4139 C C . ILE C 3 34 ? 13.216 29.176 32.617 1.00 53.04 ? 34 ILE H C 1 ATOM 4140 O O . ILE C 3 34 ? 13.615 28.069 32.259 1.00 52.40 ? 34 ILE H O 1 ATOM 4141 C CB . ILE C 3 34 ? 15.311 30.347 33.308 1.00 48.47 ? 34 ILE H CB 1 ATOM 4142 C CG1 . ILE C 3 34 ? 16.048 31.017 34.467 1.00 42.48 ? 34 ILE H CG1 1 ATOM 4143 C CG2 . ILE C 3 34 ? 15.230 31.292 32.123 1.00 49.37 ? 34 ILE H CG2 1 ATOM 4144 C CD1 . ILE C 3 34 ? 15.341 32.240 35.004 1.00 39.62 ? 34 ILE H CD1 1 ATOM 4145 N N . THR C 3 35 ? 12.176 29.786 32.060 1.00 47.77 ? 35 THR H N 1 ATOM 4146 C CA . THR C 3 35 ? 11.408 29.168 30.988 1.00 43.57 ? 35 THR H CA 1 ATOM 4147 C C . THR C 3 35 ? 11.616 29.903 29.671 1.00 55.13 ? 35 THR H C 1 ATOM 4148 O O . THR C 3 35 ? 11.634 31.133 29.634 1.00 69.98 ? 35 THR H O 1 ATOM 4149 C CB . THR C 3 35 ? 9.906 29.146 31.333 1.00 41.91 ? 35 THR H CB 1 ATOM 4150 O OG1 . THR C 3 35 ? 9.675 28.191 32.373 1.00 57.34 ? 35 THR H OG1 1 ATOM 4151 C CG2 . THR C 3 35 ? 9.069 28.770 30.124 1.00 36.63 ? 35 THR H CG2 1 ATOM 4152 N N . TRP C 3 36 ? 11.776 29.144 28.593 1.00 55.77 ? 36 TRP H N 1 ATOM 4153 C CA . TRP C 3 36 ? 11.949 29.730 27.270 1.00 55.51 ? 36 TRP H CA 1 ATOM 4154 C C . TRP C 3 36 ? 10.689 29.640 26.411 1.00 55.60 ? 36 TRP H C 1 ATOM 4155 O O . TRP C 3 36 ? 10.199 28.549 26.114 1.00 58.16 ? 36 TRP H O 1 ATOM 4156 C CB . TRP C 3 36 ? 13.129 29.077 26.561 1.00 51.00 ? 36 TRP H CB 1 ATOM 4157 C CG . TRP C 3 36 ? 14.433 29.514 27.118 1.00 51.85 ? 36 TRP H CG 1 ATOM 4158 C CD1 . TRP C 3 36 ? 15.215 28.839 28.005 1.00 53.73 ? 36 TRP H CD1 1 ATOM 4159 C CD2 . TRP C 3 36 ? 15.105 30.745 26.840 1.00 46.45 ? 36 TRP H CD2 1 ATOM 4160 N NE1 . TRP C 3 36 ? 16.345 29.570 28.290 1.00 53.75 ? 36 TRP H NE1 1 ATOM 4161 C CE2 . TRP C 3 36 ? 16.299 30.746 27.589 1.00 47.99 ? 36 TRP H CE2 1 ATOM 4162 C CE3 . TRP C 3 36 ? 14.817 31.843 26.025 1.00 41.36 ? 36 TRP H CE3 1 ATOM 4163 C CZ2 . TRP C 3 36 ? 17.204 31.803 27.548 1.00 38.58 ? 36 TRP H CZ2 1 ATOM 4164 C CZ3 . TRP C 3 36 ? 15.717 32.892 25.984 1.00 46.07 ? 36 TRP H CZ3 1 ATOM 4165 C CH2 . TRP C 3 36 ? 16.897 32.864 26.743 1.00 40.91 ? 36 TRP H CH2 1 ATOM 4166 N N . VAL C 3 37 ? 10.170 30.800 26.018 1.00 44.65 ? 37 VAL H N 1 ATOM 4167 C CA . VAL C 3 37 ? 8.970 30.868 25.190 1.00 45.42 ? 37 VAL H CA 1 ATOM 4168 C C . VAL C 3 37 ? 9.285 31.508 23.838 1.00 44.72 ? 37 VAL H C 1 ATOM 4169 O O . VAL C 3 37 ? 10.185 32.340 23.729 1.00 43.94 ? 37 VAL H O 1 ATOM 4170 C CB . VAL C 3 37 ? 7.849 31.662 25.885 1.00 44.72 ? 37 VAL H CB 1 ATOM 4171 C CG1 . VAL C 3 37 ? 6.490 31.278 25.315 1.00 42.94 ? 37 VAL H CG1 1 ATOM 4172 C CG2 . VAL C 3 37 ? 7.875 31.412 27.379 1.00 44.78 ? 37 VAL H CG2 1 ATOM 4173 N N . ARG C 3 38 ? 8.533 31.120 22.814 1.00 52.03 ? 38 ARG H N 1 ATOM 4174 C CA . ARG C 3 38 ? 8.811 31.531 21.443 1.00 58.71 ? 38 ARG H CA 1 ATOM 4175 C C . ARG C 3 38 ? 7.558 32.096 20.776 1.00 66.78 ? 38 ARG H C 1 ATOM 4176 O O . ARG C 3 38 ? 6.456 31.593 20.990 1.00 80.85 ? 38 ARG H O 1 ATOM 4177 C CB . ARG C 3 38 ? 9.341 30.330 20.658 1.00 58.99 ? 38 ARG H CB 1 ATOM 4178 C CG . ARG C 3 38 ? 9.432 30.515 19.155 1.00 59.06 ? 38 ARG H CG 1 ATOM 4179 C CD . ARG C 3 38 ? 9.889 29.226 18.490 1.00 54.80 ? 38 ARG H CD 1 ATOM 4180 N NE . ARG C 3 38 ? 9.601 29.206 17.060 1.00 62.57 ? 38 ARG H NE 1 ATOM 4181 C CZ . ARG C 3 38 ? 8.427 28.858 16.544 1.00 73.34 ? 38 ARG H CZ 1 ATOM 4182 N NH1 . ARG C 3 38 ? 7.426 28.506 17.342 1.00 77.24 ? 38 ARG H NH1 1 ATOM 4183 N NH2 . ARG C 3 38 ? 8.249 28.866 15.229 1.00 74.07 ? 38 ARG H NH2 1 ATOM 4184 N N . GLN C 3 39 ? 7.726 33.143 19.972 1.00 44.98 ? 39 GLN H N 1 ATOM 4185 C CA . GLN C 3 39 ? 6.593 33.766 19.294 1.00 46.20 ? 39 GLN H CA 1 ATOM 4186 C C . GLN C 3 39 ? 6.911 34.138 17.844 1.00 59.27 ? 39 GLN H C 1 ATOM 4187 O O . GLN C 3 39 ? 7.525 35.175 17.580 1.00 64.57 ? 39 GLN H O 1 ATOM 4188 C CB . GLN C 3 39 ? 6.122 35.004 20.065 1.00 42.74 ? 39 GLN H CB 1 ATOM 4189 C CG . GLN C 3 39 ? 4.775 35.549 19.611 1.00 43.99 ? 39 GLN H CG 1 ATOM 4190 C CD . GLN C 3 39 ? 4.343 36.766 20.404 1.00 48.89 ? 39 GLN H CD 1 ATOM 4191 O OE1 . GLN C 3 39 ? 5.164 37.434 21.030 1.00 45.82 ? 39 GLN H OE1 1 ATOM 4192 N NE2 . GLN C 3 39 ? 3.046 37.057 20.384 1.00 56.78 ? 39 GLN H NE2 1 ATOM 4193 N N . ALA C 3 40 ? 6.490 33.287 16.911 1.00 50.25 ? 40 ALA H N 1 ATOM 4194 C CA . ALA C 3 40 ? 6.609 33.584 15.488 1.00 48.06 ? 40 ALA H CA 1 ATOM 4195 C C . ALA C 3 40 ? 5.764 34.812 15.154 1.00 58.59 ? 40 ALA H C 1 ATOM 4196 O O . ALA C 3 40 ? 4.690 34.994 15.725 1.00 66.43 ? 40 ALA H O 1 ATOM 4197 C CB . ALA C 3 40 ? 6.170 32.384 14.659 1.00 51.18 ? 40 ALA H CB 1 ATOM 4198 N N . PRO C 3 41 ? 6.254 35.660 14.233 1.00 66.03 ? 41 PRO H N 1 ATOM 4199 C CA . PRO C 3 41 ? 5.622 36.941 13.885 1.00 63.37 ? 41 PRO H CA 1 ATOM 4200 C C . PRO C 3 41 ? 4.134 36.814 13.574 1.00 65.84 ? 41 PRO H C 1 ATOM 4201 O O . PRO C 3 41 ? 3.758 36.157 12.604 1.00 62.60 ? 41 PRO H O 1 ATOM 4202 C CB . PRO C 3 41 ? 6.387 37.373 12.633 1.00 54.96 ? 41 PRO H CB 1 ATOM 4203 C CG . PRO C 3 41 ? 7.725 36.754 12.793 1.00 52.13 ? 41 PRO H CG 1 ATOM 4204 C CD . PRO C 3 41 ? 7.479 35.427 13.448 1.00 58.33 ? 41 PRO H CD 1 ATOM 4205 N N . GLY C 3 42 ? 3.302 37.433 14.407 1.00 68.94 ? 42 GLY H N 1 ATOM 4206 C CA . GLY C 3 42 ? 1.864 37.408 14.215 1.00 71.70 ? 42 GLY H CA 1 ATOM 4207 C C . GLY C 3 42 ? 1.174 36.231 14.877 1.00 73.60 ? 42 GLY H C 1 ATOM 4208 O O . GLY C 3 42 ? -0.052 36.203 14.975 1.00 79.58 ? 42 GLY H O 1 ATOM 4209 N N . GLN C 3 43 ? 1.954 35.258 15.336 1.00 68.65 ? 43 GLN H N 1 ATOM 4210 C CA . GLN C 3 43 ? 1.383 34.050 15.922 1.00 64.51 ? 43 GLN H CA 1 ATOM 4211 C C . GLN C 3 43 ? 1.413 34.087 17.448 1.00 63.65 ? 43 GLN H C 1 ATOM 4212 O O . GLN C 3 43 ? 1.870 35.061 18.048 1.00 52.43 ? 43 GLN H O 1 ATOM 4213 C CB . GLN C 3 43 ? 2.106 32.805 15.403 1.00 60.14 ? 43 GLN H CB 1 ATOM 4214 C CG . GLN C 3 43 ? 2.497 32.881 13.934 1.00 70.10 ? 43 GLN H CG 1 ATOM 4215 C CD . GLN C 3 43 ? 1.309 33.099 13.011 1.00 87.92 ? 43 GLN H CD 1 ATOM 4216 O OE1 . GLN C 3 43 ? 0.189 32.677 13.305 1.00 92.44 ? 43 GLN H OE1 1 ATOM 4217 N NE2 . GLN C 3 43 ? 1.552 33.761 11.884 1.00 95.29 ? 43 GLN H NE2 1 ATOM 4218 N N . GLY C 3 44 ? 0.922 33.019 18.068 1.00 70.28 ? 44 GLY H N 1 ATOM 4219 C CA . GLY C 3 44 ? 0.834 32.945 19.514 1.00 68.63 ? 44 GLY H CA 1 ATOM 4220 C C . GLY C 3 44 ? 2.141 32.557 20.177 1.00 63.21 ? 44 GLY H C 1 ATOM 4221 O O . GLY C 3 44 ? 3.206 32.621 19.563 1.00 58.09 ? 44 GLY H O 1 ATOM 4222 N N . LEU C 3 45 ? 2.052 32.148 21.439 1.00 51.03 ? 45 LEU H N 1 ATOM 4223 C CA . LEU C 3 45 ? 3.227 31.784 22.223 1.00 40.75 ? 45 LEU H CA 1 ATOM 4224 C C . LEU C 3 45 ? 3.389 30.269 22.286 1.00 53.29 ? 45 LEU H C 1 ATOM 4225 O O . LEU C 3 45 ? 2.402 29.533 22.296 1.00 59.94 ? 45 LEU H O 1 ATOM 4226 C CB . LEU C 3 45 ? 3.113 32.353 23.639 1.00 37.68 ? 45 LEU H CB 1 ATOM 4227 C CG . LEU C 3 45 ? 2.990 33.873 23.784 1.00 40.83 ? 45 LEU H CG 1 ATOM 4228 C CD1 . LEU C 3 45 ? 2.656 34.249 25.220 1.00 37.64 ? 45 LEU H CD1 1 ATOM 4229 C CD2 . LEU C 3 45 ? 4.268 34.562 23.340 1.00 48.16 ? 45 LEU H CD2 1 ATOM 4230 N N . GLU C 3 46 ? 4.635 29.807 22.331 1.00 58.64 ? 46 GLU H N 1 ATOM 4231 C CA . GLU C 3 46 ? 4.909 28.375 22.406 1.00 57.96 ? 46 GLU H CA 1 ATOM 4232 C C . GLU C 3 46 ? 6.082 28.050 23.332 1.00 50.16 ? 46 GLU H C 1 ATOM 4233 O O . GLU C 3 46 ? 7.181 28.582 23.177 1.00 44.58 ? 46 GLU H O 1 ATOM 4234 C CB . GLU C 3 46 ? 5.159 27.796 21.011 1.00 63.14 ? 46 GLU H CB 1 ATOM 4235 C CG . GLU C 3 46 ? 4.444 26.479 20.764 1.00 72.89 ? 46 GLU H CG 1 ATOM 4236 C CD . GLU C 3 46 ? 5.045 25.691 19.617 1.00 83.30 ? 46 GLU H CD 1 ATOM 4237 O OE1 . GLU C 3 46 ? 5.478 26.314 18.623 1.00 81.60 ? 46 GLU H OE1 1 ATOM 4238 O OE2 . GLU C 3 46 ? 5.091 24.446 19.719 1.00 87.44 ? 46 GLU H OE2 1 ATOM 4239 N N . TRP C 3 47 ? 5.831 27.169 24.295 1.00 48.29 ? 47 TRP H N 1 ATOM 4240 C CA . TRP C 3 47 ? 6.848 26.734 25.245 1.00 46.25 ? 47 TRP H CA 1 ATOM 4241 C C . TRP C 3 47 ? 7.920 25.894 24.556 1.00 43.40 ? 47 TRP H C 1 ATOM 4242 O O . TRP C 3 47 ? 7.610 24.920 23.874 1.00 43.00 ? 47 TRP H O 1 ATOM 4243 C CB . TRP C 3 47 ? 6.186 25.940 26.375 1.00 42.33 ? 47 TRP H CB 1 ATOM 4244 C CG . TRP C 3 47 ? 7.140 25.333 27.365 1.00 38.49 ? 47 TRP H CG 1 ATOM 4245 C CD1 . TRP C 3 47 ? 7.944 25.998 28.246 1.00 41.29 ? 47 TRP H CD1 1 ATOM 4246 C CD2 . TRP C 3 47 ? 7.364 23.939 27.592 1.00 38.04 ? 47 TRP H CD2 1 ATOM 4247 N NE1 . TRP C 3 47 ? 8.664 25.103 29.001 1.00 35.57 ? 47 TRP H NE1 1 ATOM 4248 C CE2 . TRP C 3 47 ? 8.326 23.831 28.619 1.00 39.33 ? 47 TRP H CE2 1 ATOM 4249 C CE3 . TRP C 3 47 ? 6.849 22.769 27.028 1.00 36.45 ? 47 TRP H CE3 1 ATOM 4250 C CZ2 . TRP C 3 47 ? 8.784 22.600 29.088 1.00 40.77 ? 47 TRP H CZ2 1 ATOM 4251 C CZ3 . TRP C 3 47 ? 7.302 21.549 27.495 1.00 36.03 ? 47 TRP H CZ3 1 ATOM 4252 C CH2 . TRP C 3 47 ? 8.261 21.474 28.514 1.00 35.97 ? 47 TRP H CH2 1 ATOM 4253 N N . MET C 3 48 ? 9.180 26.281 24.732 1.00 39.73 ? 48 MET H N 1 ATOM 4254 C CA . MET C 3 48 ? 10.296 25.567 24.115 1.00 37.39 ? 48 MET H CA 1 ATOM 4255 C C . MET C 3 48 ? 11.005 24.658 25.108 1.00 39.97 ? 48 MET H C 1 ATOM 4256 O O . MET C 3 48 ? 11.630 23.671 24.725 1.00 44.48 ? 48 MET H O 1 ATOM 4257 C CB . MET C 3 48 ? 11.311 26.548 23.537 1.00 37.07 ? 48 MET H CB 1 ATOM 4258 C CG . MET C 3 48 ? 10.777 27.423 22.428 1.00 49.30 ? 48 MET H CG 1 ATOM 4259 S SD . MET C 3 48 ? 12.125 28.309 21.636 1.00 44.26 ? 48 MET H SD 1 ATOM 4260 C CE . MET C 3 48 ? 12.892 29.050 23.065 1.00 40.97 ? 48 MET H CE 1 ATOM 4261 N N . GLY C 3 49 ? 10.915 25.003 26.385 1.00 43.07 ? 49 GLY H N 1 ATOM 4262 C CA . GLY C 3 49 ? 11.586 24.246 27.421 1.00 43.72 ? 49 GLY H CA 1 ATOM 4263 C C . GLY C 3 49 ? 11.906 25.121 28.613 1.00 48.63 ? 49 GLY H C 1 ATOM 4264 O O . GLY C 3 49 ? 11.492 26.279 28.672 1.00 56.01 ? 49 GLY H O 1 ATOM 4265 N N . GLY C 3 50 ? 12.651 24.570 29.564 1.00 36.45 ? 50 GLY H N 1 ATOM 4266 C CA . GLY C 3 50 ? 12.998 25.296 30.770 1.00 37.25 ? 50 GLY H CA 1 ATOM 4267 C C . GLY C 3 50 ? 14.061 24.579 31.572 1.00 43.36 ? 50 GLY H C 1 ATOM 4268 O O . GLY C 3 50 ? 14.245 23.368 31.438 1.00 48.94 ? 50 GLY H O 1 ATOM 4269 N N . ILE C 3 51 ? 14.766 25.329 32.411 1.00 45.09 ? 51 ILE H N 1 ATOM 4270 C CA . ILE C 3 51 ? 15.833 24.755 33.216 1.00 48.12 ? 51 ILE H CA 1 ATOM 4271 C C . ILE C 3 51 ? 15.836 25.332 34.629 1.00 54.39 ? 51 ILE H C 1 ATOM 4272 O O . ILE C 3 51 ? 15.578 26.521 34.831 1.00 47.19 ? 51 ILE H O 1 ATOM 4273 C CB . ILE C 3 51 ? 17.218 24.953 32.544 1.00 40.37 ? 51 ILE H CB 1 ATOM 4274 C CG1 . ILE C 3 51 ? 18.300 24.153 33.274 1.00 36.15 ? 51 ILE H CG1 1 ATOM 4275 C CG2 . ILE C 3 51 ? 17.579 26.429 32.460 1.00 46.37 ? 51 ILE H CG2 1 ATOM 4276 C CD1 . ILE C 3 51 ? 19.702 24.427 32.772 1.00 31.41 ? 51 ILE H CD1 1 ATOM 4277 N N . THR C 3 52 ? 16.096 24.468 35.606 1.00 58.96 ? 52 THR H N 1 ATOM 4278 C CA . THR C 3 52 ? 16.253 24.887 36.992 1.00 47.24 ? 52 THR H CA 1 ATOM 4279 C C . THR C 3 52 ? 17.673 24.561 37.437 1.00 49.64 ? 52 THR H C 1 ATOM 4280 O O . THR C 3 52 ? 18.007 23.393 37.640 1.00 59.39 ? 52 THR H O 1 ATOM 4281 C CB . THR C 3 52 ? 15.256 24.170 37.911 1.00 46.12 ? 52 THR H CB 1 ATOM 4282 O OG1 . THR C 3 52 ? 14.002 24.022 37.236 1.00 47.15 ? 52 THR H OG1 1 ATOM 4283 C CG2 . THR C 3 52 ? 15.054 24.963 39.191 1.00 54.13 ? 52 THR H CG2 1 ATOM 4284 N N . PRO C 3 53 A 18.511 25.598 37.585 1.00 44.02 ? 52 PRO H N 1 ATOM 4285 C CA . PRO C 3 53 A 19.962 25.516 37.796 1.00 51.91 ? 52 PRO H CA 1 ATOM 4286 C C . PRO C 3 53 A 20.426 24.492 38.837 1.00 59.38 ? 52 PRO H C 1 ATOM 4287 O O . PRO C 3 53 A 21.415 23.802 38.586 1.00 65.44 ? 52 PRO H O 1 ATOM 4288 C CB . PRO C 3 53 A 20.324 26.937 38.227 1.00 52.93 ? 52 PRO H CB 1 ATOM 4289 C CG . PRO C 3 53 A 19.333 27.784 37.510 1.00 31.51 ? 52 PRO H CG 1 ATOM 4290 C CD . PRO C 3 53 A 18.048 26.997 37.534 1.00 44.90 ? 52 PRO H CD 1 ATOM 4291 N N . ILE C 3 54 ? 19.738 24.389 39.971 1.00 65.93 ? 53 ILE H N 1 ATOM 4292 C CA . ILE C 3 54 ? 20.115 23.414 40.998 1.00 68.89 ? 53 ILE H CA 1 ATOM 4293 C C . ILE C 3 54 ? 19.948 21.975 40.525 1.00 65.34 ? 53 ILE H C 1 ATOM 4294 O O . ILE C 3 54 ? 20.821 21.135 40.745 1.00 68.59 ? 53 ILE H O 1 ATOM 4295 C CB . ILE C 3 54 ? 19.301 23.587 42.297 1.00 66.96 ? 53 ILE H CB 1 ATOM 4296 C CG1 . ILE C 3 54 ? 18.060 24.437 42.035 1.00 71.91 ? 53 ILE H CG1 1 ATOM 4297 C CG2 . ILE C 3 54 ? 20.161 24.204 43.393 1.00 59.01 ? 53 ILE H CG2 1 ATOM 4298 C CD1 . ILE C 3 54 ? 16.767 23.736 42.353 1.00 72.60 ? 53 ILE H CD1 1 ATOM 4299 N N . PHE C 3 55 ? 18.821 21.694 39.880 1.00 55.03 ? 54 PHE H N 1 ATOM 4300 C CA . PHE C 3 55 ? 18.508 20.338 39.448 1.00 57.30 ? 54 PHE H CA 1 ATOM 4301 C C . PHE C 3 55 ? 19.183 19.961 38.132 1.00 64.81 ? 54 PHE H C 1 ATOM 4302 O O . PHE C 3 55 ? 19.293 18.775 37.807 1.00 72.01 ? 54 PHE H O 1 ATOM 4303 C CB . PHE C 3 55 ? 16.994 20.161 39.332 1.00 48.22 ? 54 PHE H CB 1 ATOM 4304 C CG . PHE C 3 55 ? 16.276 20.239 40.645 1.00 44.09 ? 54 PHE H CG 1 ATOM 4305 C CD1 . PHE C 3 55 ? 16.759 19.559 41.746 1.00 46.80 ? 54 PHE H CD1 1 ATOM 4306 C CD2 . PHE C 3 55 ? 15.125 20.998 40.782 1.00 47.82 ? 54 PHE H CD2 1 ATOM 4307 C CE1 . PHE C 3 55 ? 16.108 19.624 42.958 1.00 50.24 ? 54 PHE H CE1 1 ATOM 4308 C CE2 . PHE C 3 55 ? 14.469 21.067 41.994 1.00 51.32 ? 54 PHE H CE2 1 ATOM 4309 C CZ . PHE C 3 55 ? 14.963 20.379 43.084 1.00 47.91 ? 54 PHE H CZ 1 ATOM 4310 N N . GLY C 3 56 ? 19.637 20.970 37.389 1.00 54.08 ? 55 GLY H N 1 ATOM 4311 C CA . GLY C 3 56 ? 20.197 20.766 36.063 1.00 49.28 ? 55 GLY H CA 1 ATOM 4312 C C . GLY C 3 56 ? 19.179 20.127 35.140 1.00 54.00 ? 55 GLY H C 1 ATOM 4313 O O . GLY C 3 56 ? 17.983 20.383 35.275 1.00 61.99 ? 55 GLY H O 1 ATOM 4314 N N . SER C 3 57 ? 19.670 19.317 34.202 1.00 57.27 ? 56 SER H N 1 ATOM 4315 C CA . SER C 3 57 ? 18.850 18.449 33.349 1.00 65.70 ? 56 SER H CA 1 ATOM 4316 C C . SER C 3 57 ? 17.515 19.058 32.913 1.00 72.05 ? 56 SER H C 1 ATOM 4317 O O . SER C 3 57 ? 16.464 18.708 33.447 1.00 78.70 ? 56 SER H O 1 ATOM 4318 C CB . SER C 3 57 ? 18.617 17.109 34.051 1.00 67.49 ? 56 SER H CB 1 ATOM 4319 O OG . SER C 3 57 ? 17.991 16.173 33.195 1.00 74.94 ? 56 SER H OG 1 ATOM 4320 N N . PRO C 3 58 ? 17.560 19.968 31.930 1.00 54.30 ? 57 PRO H N 1 ATOM 4321 C CA . PRO C 3 58 ? 16.410 20.789 31.538 1.00 45.66 ? 57 PRO H CA 1 ATOM 4322 C C . PRO C 3 58 ? 15.335 20.014 30.782 1.00 46.55 ? 57 PRO H C 1 ATOM 4323 O O . PRO C 3 58 ? 15.557 18.877 30.358 1.00 47.64 ? 57 PRO H O 1 ATOM 4324 C CB . PRO C 3 58 ? 17.038 21.842 30.621 1.00 43.57 ? 57 PRO H CB 1 ATOM 4325 C CG . PRO C 3 58 ? 18.232 21.178 30.056 1.00 46.91 ? 57 PRO H CG 1 ATOM 4326 C CD . PRO C 3 58 ? 18.752 20.265 31.118 1.00 51.71 ? 57 PRO H CD 1 ATOM 4327 N N . ASN C 3 59 ? 14.172 20.640 30.626 1.00 46.26 ? 58 ASN H N 1 ATOM 4328 C CA . ASN C 3 59 ? 13.082 20.063 29.850 1.00 44.68 ? 58 ASN H CA 1 ATOM 4329 C C . ASN C 3 59 ? 13.011 20.680 28.462 1.00 47.95 ? 58 ASN H C 1 ATOM 4330 O O . ASN C 3 59 ? 13.533 21.771 28.226 1.00 55.35 ? 58 ASN H O 1 ATOM 4331 C CB . ASN C 3 59 ? 11.741 20.248 30.564 1.00 39.89 ? 58 ASN H CB 1 ATOM 4332 C CG . ASN C 3 59 ? 11.642 19.437 31.837 1.00 54.07 ? 58 ASN H CG 1 ATOM 4333 O OD1 . ASN C 3 59 ? 11.984 19.918 32.916 1.00 73.78 ? 58 ASN H OD1 1 ATOM 4334 N ND2 . ASN C 3 59 ? 11.169 18.200 31.721 1.00 52.81 ? 58 ASN H ND2 1 ATOM 4335 N N . TYR C 3 60 ? 12.368 19.970 27.543 1.00 45.46 ? 59 TYR H N 1 ATOM 4336 C CA . TYR C 3 60 ? 12.108 20.498 26.212 1.00 40.85 ? 59 TYR H CA 1 ATOM 4337 C C . TYR C 3 60 ? 10.731 20.054 25.760 1.00 35.55 ? 59 TYR H C 1 ATOM 4338 O O . TYR C 3 60 ? 10.294 18.948 26.072 1.00 42.06 ? 59 TYR H O 1 ATOM 4339 C CB . TYR C 3 60 ? 13.146 20.003 25.202 1.00 36.65 ? 59 TYR H CB 1 ATOM 4340 C CG . TYR C 3 60 ? 14.580 20.263 25.590 1.00 34.64 ? 59 TYR H CG 1 ATOM 4341 C CD1 . TYR C 3 60 ? 15.181 21.486 25.328 1.00 25.51 ? 59 TYR H CD1 1 ATOM 4342 C CD2 . TYR C 3 60 ? 15.337 19.279 26.209 1.00 40.35 ? 59 TYR H CD2 1 ATOM 4343 C CE1 . TYR C 3 60 ? 16.496 21.724 25.679 1.00 31.03 ? 59 TYR H CE1 1 ATOM 4344 C CE2 . TYR C 3 60 ? 16.649 19.507 26.562 1.00 47.21 ? 59 TYR H CE2 1 ATOM 4345 C CZ . TYR C 3 60 ? 17.224 20.730 26.295 1.00 39.66 ? 59 TYR H CZ 1 ATOM 4346 O OH . TYR C 3 60 ? 18.535 20.954 26.649 1.00 38.99 ? 59 TYR H OH 1 ATOM 4347 N N . ALA C 3 61 ? 10.050 20.922 25.023 1.00 30.34 ? 60 ALA H N 1 ATOM 4348 C CA . ALA C 3 61 ? 8.778 20.564 24.419 1.00 38.41 ? 60 ALA H CA 1 ATOM 4349 C C . ALA C 3 61 ? 9.007 19.507 23.352 1.00 41.34 ? 60 ALA H C 1 ATOM 4350 O O . ALA C 3 61 ? 10.128 19.328 22.875 1.00 48.74 ? 60 ALA H O 1 ATOM 4351 C CB . ALA C 3 61 ? 8.119 21.780 23.817 1.00 48.92 ? 60 ALA H CB 1 ATOM 4352 N N . GLN C 3 62 ? 7.939 18.815 22.977 1.00 42.80 ? 61 GLN H N 1 ATOM 4353 C CA . GLN C 3 62 ? 8.025 17.756 21.983 1.00 49.53 ? 61 GLN H CA 1 ATOM 4354 C C . GLN C 3 62 ? 8.551 18.297 20.652 1.00 49.43 ? 61 GLN H C 1 ATOM 4355 O O . GLN C 3 62 ? 9.298 17.619 19.951 1.00 53.57 ? 61 GLN H O 1 ATOM 4356 C CB . GLN C 3 62 ? 6.653 17.101 21.792 1.00 62.50 ? 61 GLN H CB 1 ATOM 4357 C CG . GLN C 3 62 ? 6.690 15.706 21.184 1.00 74.56 ? 61 GLN H CG 1 ATOM 4358 C CD . GLN C 3 62 ? 5.301 15.131 20.965 1.00 87.82 ? 61 GLN H CD 1 ATOM 4359 O OE1 . GLN C 3 62 ? 4.362 15.455 21.692 1.00 95.60 ? 61 GLN H OE1 1 ATOM 4360 N NE2 . GLN C 3 62 ? 5.163 14.282 19.951 1.00 86.92 ? 61 GLN H NE2 1 ATOM 4361 N N . ARG C 3 63 ? 8.179 19.531 20.326 1.00 49.36 ? 62 ARG H N 1 ATOM 4362 C CA . ARG C 3 63 ? 8.501 20.114 19.027 1.00 53.83 ? 62 ARG H CA 1 ATOM 4363 C C . ARG C 3 63 ? 9.953 20.572 18.919 1.00 54.71 ? 62 ARG H C 1 ATOM 4364 O O . ARG C 3 63 ? 10.582 20.425 17.871 1.00 63.08 ? 62 ARG H O 1 ATOM 4365 C CB . ARG C 3 63 ? 7.558 21.282 18.720 1.00 61.29 ? 62 ARG H CB 1 ATOM 4366 C CG . ARG C 3 63 ? 7.229 21.444 17.245 1.00 69.47 ? 62 ARG H CG 1 ATOM 4367 C CD . ARG C 3 63 ? 5.891 22.141 17.052 1.00 76.09 ? 62 ARG H CD 1 ATOM 4368 N NE . ARG C 3 63 ? 6.019 23.594 17.017 1.00 85.78 ? 62 ARG H NE 1 ATOM 4369 C CZ . ARG C 3 63 ? 6.057 24.309 15.897 1.00 91.49 ? 62 ARG H CZ 1 ATOM 4370 N NH1 . ARG C 3 63 ? 5.972 23.703 14.720 1.00 90.54 ? 62 ARG H NH1 1 ATOM 4371 N NH2 . ARG C 3 63 ? 6.176 25.629 15.951 1.00 93.16 ? 62 ARG H NH2 1 ATOM 4372 N N . PHE C 3 64 ? 10.480 21.126 20.005 1.00 56.75 ? 63 PHE H N 1 ATOM 4373 C CA . PHE C 3 64 ? 11.815 21.714 19.994 1.00 57.29 ? 63 PHE H CA 1 ATOM 4374 C C . PHE C 3 64 ? 12.841 20.795 20.640 1.00 58.52 ? 63 PHE H C 1 ATOM 4375 O O . PHE C 3 64 ? 14.008 21.161 20.774 1.00 55.72 ? 63 PHE H O 1 ATOM 4376 C CB . PHE C 3 64 ? 11.812 23.067 20.706 1.00 55.50 ? 63 PHE H CB 1 ATOM 4377 C CG . PHE C 3 64 ? 10.779 24.021 20.188 1.00 52.78 ? 63 PHE H CG 1 ATOM 4378 C CD1 . PHE C 3 64 ? 11.064 24.857 19.126 1.00 43.49 ? 63 PHE H CD1 1 ATOM 4379 C CD2 . PHE C 3 64 ? 9.523 24.081 20.766 1.00 64.69 ? 63 PHE H CD2 1 ATOM 4380 C CE1 . PHE C 3 64 ? 10.118 25.733 18.647 1.00 57.44 ? 63 PHE H CE1 1 ATOM 4381 C CE2 . PHE C 3 64 ? 8.570 24.954 20.293 1.00 68.52 ? 63 PHE H CE2 1 ATOM 4382 C CZ . PHE C 3 64 ? 8.868 25.783 19.231 1.00 70.08 ? 63 PHE H CZ 1 ATOM 4383 N N . GLN C 3 65 ? 12.392 19.615 21.054 1.00 61.87 ? 64 GLN H N 1 ATOM 4384 C CA . GLN C 3 65 ? 13.281 18.575 21.551 1.00 59.53 ? 64 GLN H CA 1 ATOM 4385 C C . GLN C 3 65 ? 14.360 18.300 20.510 1.00 60.45 ? 64 GLN H C 1 ATOM 4386 O O . GLN C 3 65 ? 14.084 18.298 19.310 1.00 64.73 ? 64 GLN H O 1 ATOM 4387 C CB . GLN C 3 65 ? 12.484 17.299 21.831 1.00 73.45 ? 64 GLN H CB 1 ATOM 4388 C CG . GLN C 3 65 ? 13.312 16.128 22.327 1.00 86.60 ? 64 GLN H CG 1 ATOM 4389 C CD . GLN C 3 65 ? 13.344 16.024 23.840 1.00 98.13 ? 64 GLN H CD 1 ATOM 4390 O OE1 . GLN C 3 65 ? 14.413 15.910 24.441 1.00 99.69 ? 64 GLN H OE1 1 ATOM 4391 N NE2 . GLN C 3 65 ? 12.169 16.049 24.463 1.00 99.55 ? 64 GLN H NE2 1 ATOM 4392 N N . ASP C 3 66 ? 15.593 18.109 20.973 1.00 69.94 ? 65 ASP H N 1 ATOM 4393 C CA . ASP C 3 66 ? 16.744 17.801 20.111 1.00 81.94 ? 65 ASP H CA 1 ATOM 4394 C C . ASP C 3 66 ? 17.052 18.817 18.993 1.00 77.01 ? 65 ASP H C 1 ATOM 4395 O O . ASP C 3 66 ? 18.121 18.766 18.380 1.00 69.71 ? 65 ASP H O 1 ATOM 4396 C CB . ASP C 3 66 ? 16.669 16.359 19.569 1.00 90.95 ? 65 ASP H CB 1 ATOM 4397 C CG . ASP C 3 66 ? 16.063 16.273 18.175 1.00 99.94 ? 65 ASP H CG 1 ATOM 4398 O OD1 . ASP C 3 66 ? 16.787 16.539 17.193 1.00 110.03 ? 65 ASP H OD1 1 ATOM 4399 O OD2 . ASP C 3 66 ? 14.874 15.908 18.053 1.00 96.47 ? 65 ASP H OD2 1 ATOM 4400 N N . ARG C 3 67 ? 16.124 19.731 18.728 1.00 68.15 ? 66 ARG H N 1 ATOM 4401 C CA . ARG C 3 67 ? 16.372 20.822 17.794 1.00 56.28 ? 66 ARG H CA 1 ATOM 4402 C C . ARG C 3 67 ? 17.010 21.987 18.541 1.00 48.09 ? 66 ARG H C 1 ATOM 4403 O O . ARG C 3 67 ? 17.580 22.897 17.937 1.00 46.69 ? 66 ARG H O 1 ATOM 4404 C CB . ARG C 3 67 ? 15.069 21.276 17.132 1.00 53.76 ? 66 ARG H CB 1 ATOM 4405 C CG . ARG C 3 67 ? 15.093 21.221 15.612 1.00 64.27 ? 66 ARG H CG 1 ATOM 4406 C CD . ARG C 3 67 ? 14.426 22.444 15.000 1.00 77.08 ? 66 ARG H CD 1 ATOM 4407 N NE . ARG C 3 67 ? 12.979 22.454 15.199 1.00 90.26 ? 66 ARG H NE 1 ATOM 4408 C CZ . ARG C 3 67 ? 12.178 23.429 14.779 1.00 93.61 ? 66 ARG H CZ 1 ATOM 4409 N NH1 . ARG C 3 67 ? 12.689 24.474 14.141 1.00 94.73 ? 66 ARG H NH1 1 ATOM 4410 N NH2 . ARG C 3 67 ? 10.871 23.363 14.997 1.00 88.24 ? 66 ARG H NH2 1 ATOM 4411 N N . VAL C 3 68 ? 16.916 21.940 19.865 1.00 44.54 ? 67 VAL H N 1 ATOM 4412 C CA . VAL C 3 68 ? 17.392 23.024 20.715 1.00 40.59 ? 67 VAL H CA 1 ATOM 4413 C C . VAL C 3 68 ? 18.046 22.474 21.987 1.00 50.87 ? 67 VAL H C 1 ATOM 4414 O O . VAL C 3 68 ? 17.786 21.336 22.384 1.00 71.58 ? 67 VAL H O 1 ATOM 4415 C CB . VAL C 3 68 ? 16.234 23.985 21.065 1.00 38.07 ? 67 VAL H CB 1 ATOM 4416 C CG1 . VAL C 3 68 ? 15.696 23.725 22.470 1.00 30.89 ? 67 VAL H CG1 1 ATOM 4417 C CG2 . VAL C 3 68 ? 16.670 25.420 20.910 1.00 41.97 ? 67 VAL H CG2 1 ATOM 4418 N N . ILE C 3 69 ? 18.915 23.268 22.609 1.00 35.89 ? 68 ILE H N 1 ATOM 4419 C CA . ILE C 3 69 ? 19.529 22.887 23.886 1.00 40.49 ? 68 ILE H CA 1 ATOM 4420 C C . ILE C 3 69 ? 19.645 24.073 24.854 1.00 44.46 ? 68 ILE H C 1 ATOM 4421 O O . ILE C 3 69 ? 19.995 25.187 24.458 1.00 52.10 ? 68 ILE H O 1 ATOM 4422 C CB . ILE C 3 69 ? 20.905 22.165 23.705 1.00 34.20 ? 68 ILE H CB 1 ATOM 4423 C CG1 . ILE C 3 69 ? 21.943 22.694 24.701 1.00 41.21 ? 68 ILE H CG1 1 ATOM 4424 C CG2 . ILE C 3 69 ? 21.412 22.293 22.273 1.00 38.09 ? 68 ILE H CG2 1 ATOM 4425 C CD1 . ILE C 3 69 ? 23.299 22.018 24.603 1.00 50.09 ? 68 ILE H CD1 1 ATOM 4426 N N . ILE C 3 70 ? 19.330 23.823 26.121 1.00 39.59 ? 69 ILE H N 1 ATOM 4427 C CA . ILE C 3 70 ? 19.308 24.871 27.134 1.00 41.13 ? 69 ILE H CA 1 ATOM 4428 C C . ILE C 3 70 ? 20.305 24.606 28.259 1.00 49.63 ? 69 ILE H C 1 ATOM 4429 O O . ILE C 3 70 ? 20.309 23.529 28.857 1.00 60.65 ? 69 ILE H O 1 ATOM 4430 C CB . ILE C 3 70 ? 17.905 25.014 27.742 1.00 30.98 ? 69 ILE H CB 1 ATOM 4431 C CG1 . ILE C 3 70 ? 16.878 25.279 26.641 1.00 30.19 ? 69 ILE H CG1 1 ATOM 4432 C CG2 . ILE C 3 70 ? 17.884 26.122 28.783 1.00 31.38 ? 69 ILE H CG2 1 ATOM 4433 C CD1 . ILE C 3 70 ? 15.461 25.433 27.145 1.00 36.09 ? 69 ILE H CD1 1 ATOM 4434 N N . THR C 3 71 ? 21.146 25.596 28.543 1.00 49.22 ? 70 THR H N 1 ATOM 4435 C CA . THR C 3 71 ? 22.140 25.488 29.607 1.00 53.49 ? 70 THR H CA 1 ATOM 4436 C C . THR C 3 71 ? 22.016 26.643 30.593 1.00 57.55 ? 70 THR H C 1 ATOM 4437 O O . THR C 3 71 ? 21.194 27.540 30.413 1.00 62.00 ? 70 THR H O 1 ATOM 4438 C CB . THR C 3 71 ? 23.572 25.477 29.042 1.00 59.15 ? 70 THR H CB 1 ATOM 4439 O OG1 . THR C 3 71 ? 23.717 26.533 28.083 1.00 59.24 ? 70 THR H OG1 1 ATOM 4440 C CG2 . THR C 3 71 ? 23.869 24.143 28.370 1.00 65.97 ? 70 THR H CG2 1 ATOM 4441 N N . ALA C 3 72 ? 22.840 26.618 31.636 1.00 53.42 ? 71 ALA H N 1 ATOM 4442 C CA . ALA C 3 72 ? 22.834 27.683 32.631 1.00 53.58 ? 71 ALA H CA 1 ATOM 4443 C C . ALA C 3 72 ? 24.158 27.787 33.381 1.00 61.11 ? 71 ALA H C 1 ATOM 4444 O O . ALA C 3 72 ? 24.785 26.779 33.703 1.00 55.62 ? 71 ALA H O 1 ATOM 4445 C CB . ALA C 3 72 ? 21.684 27.487 33.610 1.00 40.62 ? 71 ALA H CB 1 ATOM 4446 N N . ASP C 3 73 ? 24.575 29.020 33.646 1.00 86.20 ? 72 ASP H N 1 ATOM 4447 C CA . ASP C 3 73 ? 25.732 29.280 34.489 1.00 95.68 ? 72 ASP H CA 1 ATOM 4448 C C . ASP C 3 73 ? 25.254 30.005 35.739 1.00 102.28 ? 72 ASP H C 1 ATOM 4449 O O . ASP C 3 73 ? 24.861 31.169 35.680 1.00 110.51 ? 72 ASP H O 1 ATOM 4450 C CB . ASP C 3 73 ? 26.764 30.129 33.745 1.00 98.12 ? 72 ASP H CB 1 ATOM 4451 C CG . ASP C 3 73 ? 28.132 30.108 34.409 1.00 110.23 ? 72 ASP H CG 1 ATOM 4452 O OD1 . ASP C 3 73 ? 28.218 29.753 35.604 1.00 118.51 ? 72 ASP H OD1 1 ATOM 4453 O OD2 . ASP C 3 73 ? 29.126 30.450 33.733 1.00 109.00 ? 72 ASP H OD2 1 ATOM 4454 N N . GLU C 3 74 ? 25.283 29.310 36.870 1.00 84.42 ? 73 GLU H N 1 ATOM 4455 C CA . GLU C 3 74 ? 24.797 29.876 38.122 1.00 86.70 ? 73 GLU H CA 1 ATOM 4456 C C . GLU C 3 74 ? 25.779 30.894 38.701 1.00 87.18 ? 73 GLU H C 1 ATOM 4457 O O . GLU C 3 74 ? 25.421 31.685 39.575 1.00 80.66 ? 73 GLU H O 1 ATOM 4458 C CB . GLU C 3 74 ? 24.519 28.763 39.134 1.00 95.95 ? 73 GLU H CB 1 ATOM 4459 C CG . GLU C 3 74 ? 23.300 28.998 40.013 1.00 107.47 ? 73 GLU H CG 1 ATOM 4460 C CD . GLU C 3 74 ? 22.963 27.783 40.862 1.00 115.69 ? 73 GLU H CD 1 ATOM 4461 O OE1 . GLU C 3 74 ? 23.829 26.890 40.985 1.00 116.08 ? 73 GLU H OE1 1 ATOM 4462 O OE2 . GLU C 3 74 ? 21.837 27.716 41.400 1.00 117.80 ? 73 GLU H OE2 1 ATOM 4463 N N . SER C 3 75 ? 27.017 30.876 38.212 1.00 97.39 ? 74 SER H N 1 ATOM 4464 C CA . SER C 3 75 ? 28.026 31.819 38.685 1.00 99.65 ? 74 SER H CA 1 ATOM 4465 C C . SER C 3 75 ? 27.833 33.197 38.058 1.00 106.82 ? 74 SER H C 1 ATOM 4466 O O . SER C 3 75 ? 28.148 34.217 38.673 1.00 116.66 ? 74 SER H O 1 ATOM 4467 C CB . SER C 3 75 ? 29.440 31.308 38.394 1.00 92.45 ? 74 SER H CB 1 ATOM 4468 O OG . SER C 3 75 ? 29.946 31.863 37.192 1.00 86.81 ? 74 SER H OG 1 ATOM 4469 N N . THR C 3 76 ? 27.318 33.222 36.832 1.00 99.31 ? 75 THR H N 1 ATOM 4470 C CA . THR C 3 76 ? 27.071 34.478 36.127 1.00 92.06 ? 75 THR H CA 1 ATOM 4471 C C . THR C 3 76 ? 25.591 34.848 36.149 1.00 84.50 ? 75 THR H C 1 ATOM 4472 O O . THR C 3 76 ? 25.197 35.876 35.595 1.00 79.53 ? 75 THR H O 1 ATOM 4473 C CB . THR C 3 76 ? 27.544 34.415 34.658 1.00 86.20 ? 75 THR H CB 1 ATOM 4474 O OG1 . THR C 3 76 ? 26.715 33.508 33.920 1.00 92.41 ? 75 THR H OG1 1 ATOM 4475 C CG2 . THR C 3 76 ? 28.996 33.958 34.575 1.00 77.50 ? 75 THR H CG2 1 ATOM 4476 N N . SER C 3 77 ? 24.785 34.004 36.792 1.00 80.54 ? 76 SER H N 1 ATOM 4477 C CA . SER C 3 77 ? 23.332 34.185 36.871 1.00 73.55 ? 76 SER H CA 1 ATOM 4478 C C . SER C 3 77 ? 22.684 34.368 35.502 1.00 68.58 ? 76 SER H C 1 ATOM 4479 O O . SER C 3 77 ? 21.859 35.263 35.310 1.00 66.30 ? 76 SER H O 1 ATOM 4480 C CB . SER C 3 77 ? 22.970 35.356 37.791 1.00 71.12 ? 76 SER H CB 1 ATOM 4481 O OG . SER C 3 77 ? 23.076 34.982 39.156 1.00 77.59 ? 76 SER H OG 1 ATOM 4482 N N . THR C 3 78 ? 23.054 33.506 34.560 1.00 60.35 ? 77 THR H N 1 ATOM 4483 C CA . THR C 3 78 ? 22.589 33.631 33.186 1.00 62.85 ? 77 THR H CA 1 ATOM 4484 C C . THR C 3 78 ? 22.195 32.275 32.614 1.00 62.63 ? 77 THR H C 1 ATOM 4485 O O . THR C 3 78 ? 22.889 31.281 32.820 1.00 67.73 ? 77 THR H O 1 ATOM 4486 C CB . THR C 3 78 ? 23.680 34.245 32.288 1.00 75.45 ? 77 THR H CB 1 ATOM 4487 O OG1 . THR C 3 78 ? 24.504 35.124 33.064 1.00 87.27 ? 77 THR H OG1 1 ATOM 4488 C CG2 . THR C 3 78 ? 23.056 35.020 31.143 1.00 71.51 ? 77 THR H CG2 1 ATOM 4489 N N . ALA C 3 79 ? 21.079 32.243 31.893 1.00 69.75 ? 78 ALA H N 1 ATOM 4490 C CA . ALA C 3 79 ? 20.602 31.015 31.264 1.00 68.75 ? 78 ALA H CA 1 ATOM 4491 C C . ALA C 3 79 ? 20.571 31.168 29.746 1.00 74.99 ? 78 ALA H C 1 ATOM 4492 O O . ALA C 3 79 ? 20.158 32.206 29.227 1.00 78.69 ? 78 ALA H O 1 ATOM 4493 C CB . ALA C 3 79 ? 19.230 30.644 31.796 1.00 60.50 ? 78 ALA H CB 1 ATOM 4494 N N . TYR C 3 80 ? 21.002 30.129 29.039 1.00 60.02 ? 79 TYR H N 1 ATOM 4495 C CA . TYR C 3 80 ? 21.153 30.201 27.591 1.00 51.69 ? 79 TYR H CA 1 ATOM 4496 C C . TYR C 3 80 ? 20.235 29.221 26.870 1.00 53.84 ? 79 TYR H C 1 ATOM 4497 O O . TYR C 3 80 ? 20.053 28.089 27.308 1.00 58.76 ? 79 TYR H O 1 ATOM 4498 C CB . TYR C 3 80 ? 22.603 29.910 27.203 1.00 60.20 ? 79 TYR H CB 1 ATOM 4499 C CG . TYR C 3 80 ? 23.623 30.650 28.035 1.00 77.11 ? 79 TYR H CG 1 ATOM 4500 C CD1 . TYR C 3 80 ? 24.713 29.987 28.580 1.00 87.64 ? 79 TYR H CD1 1 ATOM 4501 C CD2 . TYR C 3 80 ? 23.500 32.012 28.270 1.00 78.87 ? 79 TYR H CD2 1 ATOM 4502 C CE1 . TYR C 3 80 ? 25.650 30.659 29.342 1.00 93.51 ? 79 TYR H CE1 1 ATOM 4503 C CE2 . TYR C 3 80 ? 24.430 32.691 29.027 1.00 81.05 ? 79 TYR H CE2 1 ATOM 4504 C CZ . TYR C 3 80 ? 25.502 32.011 29.561 1.00 87.08 ? 79 TYR H CZ 1 ATOM 4505 O OH . TYR C 3 80 ? 26.431 32.686 30.317 1.00 85.07 ? 79 TYR H OH 1 ATOM 4506 N N . MET C 3 81 ? 19.665 29.667 25.757 1.00 63.19 ? 80 MET H N 1 ATOM 4507 C CA . MET C 3 81 ? 18.874 28.803 24.893 1.00 63.57 ? 80 MET H CA 1 ATOM 4508 C C . MET C 3 81 ? 19.527 28.778 23.522 1.00 56.22 ? 80 MET H C 1 ATOM 4509 O O . MET C 3 81 ? 19.441 29.744 22.769 1.00 58.50 ? 80 MET H O 1 ATOM 4510 C CB . MET C 3 81 ? 17.441 29.322 24.783 1.00 68.48 ? 80 MET H CB 1 ATOM 4511 C CG . MET C 3 81 ? 16.454 28.362 24.130 1.00 67.33 ? 80 MET H CG 1 ATOM 4512 S SD . MET C 3 81 ? 16.355 28.562 22.342 1.00 63.45 ? 80 MET H SD 1 ATOM 4513 C CE . MET C 3 81 ? 16.213 30.341 22.203 1.00 145.11 ? 80 MET H CE 1 ATOM 4514 N N . GLU C 3 82 ? 20.189 27.676 23.201 1.00 45.25 ? 81 GLU H N 1 ATOM 4515 C CA . GLU C 3 82 ? 20.916 27.581 21.946 1.00 41.07 ? 81 GLU H CA 1 ATOM 4516 C C . GLU C 3 82 ? 20.165 26.771 20.898 1.00 47.10 ? 81 GLU H C 1 ATOM 4517 O O . GLU C 3 82 ? 19.820 25.611 21.130 1.00 52.78 ? 81 GLU H O 1 ATOM 4518 C CB . GLU C 3 82 ? 22.307 26.990 22.178 1.00 52.69 ? 81 GLU H CB 1 ATOM 4519 C CG . GLU C 3 82 ? 22.957 26.438 20.923 1.00 63.50 ? 81 GLU H CG 1 ATOM 4520 C CD . GLU C 3 82 ? 24.406 26.057 21.140 1.00 70.95 ? 81 GLU H CD 1 ATOM 4521 O OE1 . GLU C 3 82 ? 24.663 25.016 21.785 1.00 74.00 ? 81 GLU H OE1 1 ATOM 4522 O OE2 . GLU C 3 82 ? 25.289 26.807 20.670 1.00 71.49 ? 81 GLU H OE2 1 ATOM 4523 N N . VAL C 3 83 ? 19.919 27.393 19.747 1.00 44.83 ? 82 VAL H N 1 ATOM 4524 C CA . VAL C 3 83 ? 19.278 26.716 18.625 1.00 42.19 ? 82 VAL H CA 1 ATOM 4525 C C . VAL C 3 83 ? 20.316 26.218 17.634 1.00 49.41 ? 82 VAL H C 1 ATOM 4526 O O . VAL C 3 83 ? 20.888 27.003 16.883 1.00 65.13 ? 82 VAL H O 1 ATOM 4527 C CB . VAL C 3 83 ? 18.335 27.651 17.843 1.00 38.03 ? 82 VAL H CB 1 ATOM 4528 C CG1 . VAL C 3 83 ? 17.464 26.842 16.891 1.00 29.34 ? 82 VAL H CG1 1 ATOM 4529 C CG2 . VAL C 3 83 ? 17.483 28.480 18.785 1.00 38.42 ? 82 VAL H CG2 1 ATOM 4530 N N . SER C 3 84 A 20.558 24.914 17.624 1.00 58.69 ? 82 SER H N 1 ATOM 4531 C CA . SER C 3 84 A 21.448 24.329 16.632 1.00 68.49 ? 82 SER H CA 1 ATOM 4532 C C . SER C 3 84 A 20.755 24.261 15.276 1.00 65.84 ? 82 SER H C 1 ATOM 4533 O O . SER C 3 84 A 19.601 23.838 15.185 1.00 83.02 ? 82 SER H O 1 ATOM 4534 C CB . SER C 3 84 A 21.900 22.931 17.066 1.00 81.89 ? 82 SER H CB 1 ATOM 4535 O OG . SER C 3 84 A 21.202 22.501 18.225 1.00 84.86 ? 82 SER H OG 1 ATOM 4536 N N . ASN C 3 85 B 21.462 24.697 14.237 1.00 46.36 ? 82 ASN H N 1 ATOM 4537 C CA . ASN C 3 85 B 21.001 24.570 12.855 1.00 52.73 ? 82 ASN H CA 1 ATOM 4538 C C . ASN C 3 85 B 19.662 25.262 12.578 1.00 49.55 ? 82 ASN H C 1 ATOM 4539 O O . ASN C 3 85 B 18.595 24.658 12.710 1.00 50.77 ? 82 ASN H O 1 ATOM 4540 C CB . ASN C 3 85 B 20.940 23.094 12.457 1.00 59.52 ? 82 ASN H CB 1 ATOM 4541 C CG . ASN C 3 85 B 20.754 22.900 10.974 1.00 70.12 ? 82 ASN H CG 1 ATOM 4542 O OD1 . ASN C 3 85 B 19.627 22.811 10.486 1.00 78.94 ? 82 ASN H OD1 1 ATOM 4543 N ND2 . ASN C 3 85 B 21.861 22.829 10.243 1.00 67.65 ? 82 ASN H ND2 1 ATOM 4544 N N . LEU C 3 86 C 19.735 26.529 12.182 1.00 42.83 ? 82 LEU H N 1 ATOM 4545 C CA . LEU C 3 86 C 18.546 27.349 11.970 1.00 41.64 ? 82 LEU H CA 1 ATOM 4546 C C . LEU C 3 86 C 17.872 27.113 10.624 1.00 41.96 ? 82 LEU H C 1 ATOM 4547 O O . LEU C 3 86 C 18.494 26.640 9.671 1.00 46.27 ? 82 LEU H O 1 ATOM 4548 C CB . LEU C 3 86 C 18.901 28.831 12.088 1.00 40.52 ? 82 LEU H CB 1 ATOM 4549 C CG . LEU C 3 86 C 19.161 29.407 13.479 1.00 39.49 ? 82 LEU H CG 1 ATOM 4550 C CD1 . LEU C 3 86 C 19.626 30.848 13.360 1.00 30.66 ? 82 LEU H CD1 1 ATOM 4551 C CD2 . LEU C 3 86 C 17.911 29.315 14.335 1.00 35.73 ? 82 LEU H CD2 1 ATOM 4552 N N . ARG C 3 87 ? 16.591 27.460 10.561 1.00 38.08 ? 83 ARG H N 1 ATOM 4553 C CA . ARG C 3 87 ? 15.841 27.454 9.312 1.00 42.29 ? 83 ARG H CA 1 ATOM 4554 C C . ARG C 3 87 ? 15.103 28.782 9.162 1.00 46.62 ? 83 ARG H C 1 ATOM 4555 O O . ARG C 3 87 ? 14.989 29.551 10.118 1.00 47.51 ? 83 ARG H O 1 ATOM 4556 C CB . ARG C 3 87 ? 14.845 26.292 9.275 1.00 49.81 ? 83 ARG H CB 1 ATOM 4557 C CG . ARG C 3 87 ? 15.440 24.936 9.633 1.00 70.53 ? 83 ARG H CG 1 ATOM 4558 C CD . ARG C 3 87 ? 15.127 24.558 11.074 1.00 85.47 ? 83 ARG H CD 1 ATOM 4559 N NE . ARG C 3 87 ? 13.991 23.645 11.168 1.00 90.38 ? 83 ARG H NE 1 ATOM 4560 C CZ . ARG C 3 87 ? 14.096 22.358 11.480 1.00 95.76 ? 83 ARG H CZ 1 ATOM 4561 N NH1 . ARG C 3 87 ? 15.286 21.833 11.739 1.00 100.75 ? 83 ARG H NH1 1 ATOM 4562 N NH2 . ARG C 3 87 ? 13.012 21.597 11.543 1.00 98.08 ? 83 ARG H NH2 1 ATOM 4563 N N . SER C 3 88 ? 14.600 29.045 7.961 1.00 59.44 ? 84 SER H N 1 ATOM 4564 C CA . SER C 3 88 ? 13.870 30.278 7.685 1.00 75.38 ? 84 SER H CA 1 ATOM 4565 C C . SER C 3 88 ? 12.633 30.416 8.572 1.00 78.99 ? 84 SER H C 1 ATOM 4566 O O . SER C 3 88 ? 12.192 31.526 8.871 1.00 81.46 ? 84 SER H O 1 ATOM 4567 C CB . SER C 3 88 ? 13.467 30.338 6.210 1.00 75.57 ? 84 SER H CB 1 ATOM 4568 O OG . SER C 3 88 ? 14.607 30.313 5.370 1.00 68.55 ? 84 SER H OG 1 ATOM 4569 N N . GLU C 3 89 ? 12.085 29.280 8.990 1.00 76.96 ? 85 GLU H N 1 ATOM 4570 C CA . GLU C 3 89 ? 10.886 29.256 9.819 1.00 73.96 ? 85 GLU H CA 1 ATOM 4571 C C . GLU C 3 89 ? 11.212 29.459 11.296 1.00 75.58 ? 85 GLU H C 1 ATOM 4572 O O . GLU C 3 89 ? 10.315 29.632 12.121 1.00 71.86 ? 85 GLU H O 1 ATOM 4573 C CB . GLU C 3 89 ? 10.113 27.946 9.616 1.00 67.96 ? 85 GLU H CB 1 ATOM 4574 C CG . GLU C 3 89 ? 10.982 26.698 9.502 1.00 78.13 ? 85 GLU H CG 1 ATOM 4575 C CD . GLU C 3 89 ? 11.499 26.461 8.088 1.00 95.50 ? 85 GLU H CD 1 ATOM 4576 O OE1 . GLU C 3 89 ? 11.319 27.348 7.226 1.00 102.66 ? 85 GLU H OE1 1 ATOM 4577 O OE2 . GLU C 3 89 ? 12.084 25.385 7.838 1.00 97.72 ? 85 GLU H OE2 1 ATOM 4578 N N . ASP C 3 90 ? 12.501 29.443 11.621 1.00 72.51 ? 86 ASP H N 1 ATOM 4579 C CA . ASP C 3 90 ? 12.939 29.645 12.995 1.00 58.07 ? 86 ASP H CA 1 ATOM 4580 C C . ASP C 3 90 ? 13.073 31.126 13.336 1.00 50.17 ? 86 ASP H C 1 ATOM 4581 O O . ASP C 3 90 ? 13.503 31.483 14.435 1.00 53.23 ? 86 ASP H O 1 ATOM 4582 C CB . ASP C 3 90 ? 14.252 28.906 13.262 1.00 56.84 ? 86 ASP H CB 1 ATOM 4583 C CG . ASP C 3 90 ? 14.028 27.499 13.782 1.00 68.38 ? 86 ASP H CG 1 ATOM 4584 O OD1 . ASP C 3 90 ? 13.008 27.283 14.471 1.00 73.76 ? 86 ASP H OD1 1 ATOM 4585 O OD2 . ASP C 3 90 ? 14.867 26.613 13.509 1.00 67.62 ? 86 ASP H OD2 1 ATOM 4586 N N . THR C 3 91 ? 12.700 31.986 12.393 1.00 41.20 ? 87 THR H N 1 ATOM 4587 C CA . THR C 3 91 ? 12.709 33.423 12.628 1.00 37.72 ? 87 THR H CA 1 ATOM 4588 C C . THR C 3 91 ? 11.565 33.821 13.550 1.00 37.33 ? 87 THR H C 1 ATOM 4589 O O . THR C 3 91 ? 10.404 33.846 13.142 1.00 44.16 ? 87 THR H O 1 ATOM 4590 C CB . THR C 3 91 ? 12.584 34.216 11.309 1.00 51.01 ? 87 THR H CB 1 ATOM 4591 O OG1 . THR C 3 91 ? 13.713 33.938 10.472 1.00 64.81 ? 87 THR H OG1 1 ATOM 4592 C CG2 . THR C 3 91 ? 12.529 35.707 11.593 1.00 51.52 ? 87 THR H CG2 1 ATOM 4593 N N . ALA C 3 92 ? 11.897 34.122 14.799 1.00 42.24 ? 88 ALA H N 1 ATOM 4594 C CA . ALA C 3 92 ? 10.888 34.509 15.778 1.00 41.71 ? 88 ALA H CA 1 ATOM 4595 C C . ALA C 3 92 ? 11.504 35.244 16.961 1.00 41.75 ? 88 ALA H C 1 ATOM 4596 O O . ALA C 3 92 ? 12.712 35.470 17.002 1.00 45.41 ? 88 ALA H O 1 ATOM 4597 C CB . ALA C 3 92 ? 10.128 33.284 16.267 1.00 38.20 ? 88 ALA H CB 1 ATOM 4598 N N . VAL C 3 93 ? 10.662 35.618 17.920 1.00 32.07 ? 89 VAL H N 1 ATOM 4599 C CA . VAL C 3 93 ? 11.132 36.252 19.143 1.00 44.11 ? 89 VAL H CA 1 ATOM 4600 C C . VAL C 3 93 ? 11.275 35.201 20.236 1.00 47.18 ? 89 VAL H C 1 ATOM 4601 O O . VAL C 3 93 ? 10.422 34.326 20.380 1.00 45.48 ? 89 VAL H O 1 ATOM 4602 C CB . VAL C 3 93 ? 10.157 37.339 19.626 1.00 49.13 ? 89 VAL H CB 1 ATOM 4603 C CG1 . VAL C 3 93 ? 10.896 38.373 20.464 1.00 49.27 ? 89 VAL H CG1 1 ATOM 4604 C CG2 . VAL C 3 93 ? 9.471 37.998 18.446 1.00 47.79 ? 89 VAL H CG2 1 ATOM 4605 N N . TYR C 3 94 ? 12.354 35.289 21.006 1.00 39.86 ? 90 TYR H N 1 ATOM 4606 C CA . TYR C 3 94 ? 12.615 34.306 22.052 1.00 40.73 ? 90 TYR H CA 1 ATOM 4607 C C . TYR C 3 94 ? 12.652 34.935 23.444 1.00 45.46 ? 90 TYR H C 1 ATOM 4608 O O . TYR C 3 94 ? 13.667 35.495 23.862 1.00 57.55 ? 90 TYR H O 1 ATOM 4609 C CB . TYR C 3 94 ? 13.915 33.551 21.764 1.00 42.86 ? 90 TYR H CB 1 ATOM 4610 C CG . TYR C 3 94 ? 13.876 32.749 20.482 1.00 47.94 ? 90 TYR H CG 1 ATOM 4611 C CD1 . TYR C 3 94 ? 14.461 33.231 19.319 1.00 47.37 ? 90 TYR H CD1 1 ATOM 4612 C CD2 . TYR C 3 94 ? 13.242 31.514 20.432 1.00 50.54 ? 90 TYR H CD2 1 ATOM 4613 C CE1 . TYR C 3 94 ? 14.422 32.501 18.143 1.00 49.90 ? 90 TYR H CE1 1 ATOM 4614 C CE2 . TYR C 3 94 ? 13.198 30.779 19.264 1.00 47.25 ? 90 TYR H CE2 1 ATOM 4615 C CZ . TYR C 3 94 ? 13.789 31.275 18.123 1.00 47.62 ? 90 TYR H CZ 1 ATOM 4616 O OH . TYR C 3 94 ? 13.744 30.541 16.960 1.00 49.38 ? 90 TYR H OH 1 ATOM 4617 N N . PHE C 3 95 ? 11.534 34.838 24.154 1.00 38.78 ? 91 PHE H N 1 ATOM 4618 C CA . PHE C 3 95 ? 11.442 35.344 25.515 1.00 40.31 ? 91 PHE H CA 1 ATOM 4619 C C . PHE C 3 95 ? 12.013 34.343 26.510 1.00 49.70 ? 91 PHE H C 1 ATOM 4620 O O . PHE C 3 95 ? 11.895 33.131 26.320 1.00 56.13 ? 91 PHE H O 1 ATOM 4621 C CB . PHE C 3 95 ? 9.983 35.622 25.887 1.00 34.29 ? 91 PHE H CB 1 ATOM 4622 C CG . PHE C 3 95 ? 9.284 36.567 24.960 1.00 42.35 ? 91 PHE H CG 1 ATOM 4623 C CD1 . PHE C 3 95 ? 9.527 37.926 25.027 1.00 48.54 ? 91 PHE H CD1 1 ATOM 4624 C CD2 . PHE C 3 95 ? 8.367 36.098 24.033 1.00 48.15 ? 91 PHE H CD2 1 ATOM 4625 C CE1 . PHE C 3 95 ? 8.881 38.803 24.180 1.00 51.22 ? 91 PHE H CE1 1 ATOM 4626 C CE2 . PHE C 3 95 ? 7.717 36.969 23.181 1.00 49.88 ? 91 PHE H CE2 1 ATOM 4627 C CZ . PHE C 3 95 ? 7.973 38.324 23.255 1.00 55.14 ? 91 PHE H CZ 1 ATOM 4628 N N . CYS C 3 96 ? 12.638 34.853 27.567 1.00 45.36 ? 92 CYS H N 1 ATOM 4629 C CA . CYS C 3 96 ? 12.957 34.029 28.726 1.00 44.95 ? 92 CYS H CA 1 ATOM 4630 C C . CYS C 3 96 ? 12.145 34.534 29.906 1.00 50.62 ? 92 CYS H C 1 ATOM 4631 O O . CYS C 3 96 ? 12.178 35.719 30.234 1.00 60.01 ? 92 CYS H O 1 ATOM 4632 C CB . CYS C 3 96 ? 14.456 34.034 29.045 1.00 41.73 ? 92 CYS H CB 1 ATOM 4633 S SG . CYS C 3 96 ? 15.173 35.631 29.496 1.00 71.66 ? 92 CYS H SG 1 ATOM 4634 N N . ALA C 3 97 ? 11.393 33.635 30.526 1.00 54.24 ? 93 ALA H N 1 ATOM 4635 C CA . ALA C 3 97 ? 10.526 34.009 31.629 1.00 50.27 ? 93 ALA H CA 1 ATOM 4636 C C . ALA C 3 97 ? 10.951 33.296 32.898 1.00 53.33 ? 93 ALA H C 1 ATOM 4637 O O . ALA C 3 97 ? 11.764 32.375 32.864 1.00 61.52 ? 93 ALA H O 1 ATOM 4638 C CB . ALA C 3 97 ? 9.076 33.680 31.298 1.00 46.31 ? 93 ALA H CB 1 ATOM 4639 N N . ARG C 3 98 ? 10.406 33.733 34.024 1.00 52.83 ? 94 ARG H N 1 ATOM 4640 C CA . ARG C 3 98 ? 10.603 33.017 35.273 1.00 54.77 ? 94 ARG H CA 1 ATOM 4641 C C . ARG C 3 98 ? 9.244 32.633 35.830 1.00 45.35 ? 94 ARG H C 1 ATOM 4642 O O . ARG C 3 98 ? 8.241 33.288 35.548 1.00 48.69 ? 94 ARG H O 1 ATOM 4643 C CB . ARG C 3 98 ? 11.377 33.863 36.283 1.00 62.95 ? 94 ARG H CB 1 ATOM 4644 C CG . ARG C 3 98 ? 12.274 33.043 37.194 1.00 71.30 ? 94 ARG H CG 1 ATOM 4645 C CD . ARG C 3 98 ? 12.742 33.852 38.387 1.00 77.41 ? 94 ARG H CD 1 ATOM 4646 N NE . ARG C 3 98 ? 11.624 34.244 39.239 1.00 85.84 ? 94 ARG H NE 1 ATOM 4647 C CZ . ARG C 3 98 ? 11.751 34.937 40.366 1.00 94.77 ? 94 ARG H CZ 1 ATOM 4648 N NH1 . ARG C 3 98 ? 12.951 35.322 40.782 1.00 94.15 ? 94 ARG H NH1 1 ATOM 4649 N NH2 . ARG C 3 98 ? 10.675 35.248 41.078 1.00 98.54 ? 94 ARG H NH2 1 ATOM 4650 N N . VAL C 3 99 ? 9.211 31.568 36.619 1.00 33.26 ? 95 VAL H N 1 ATOM 4651 C CA . VAL C 3 99 ? 7.957 31.067 37.161 1.00 38.82 ? 95 VAL H CA 1 ATOM 4652 C C . VAL C 3 99 ? 7.754 31.470 38.614 1.00 48.36 ? 95 VAL H C 1 ATOM 4653 O O . VAL C 3 99 ? 8.620 32.108 39.217 1.00 49.02 ? 95 VAL H O 1 ATOM 4654 C CB . VAL C 3 99 ? 7.885 29.526 37.052 1.00 34.74 ? 95 VAL H CB 1 ATOM 4655 C CG1 . VAL C 3 99 ? 7.477 29.116 35.654 1.00 33.08 ? 95 VAL H CG1 1 ATOM 4656 C CG2 . VAL C 3 99 ? 9.217 28.911 37.420 1.00 30.99 ? 95 VAL H CG2 1 ATOM 4657 N N . GLY C 3 100 ? 6.600 31.099 39.168 1.00 64.58 ? 96 GLY H N 1 ATOM 4658 C CA . GLY C 3 100 ? 6.335 31.273 40.587 1.00 67.88 ? 96 GLY H CA 1 ATOM 4659 C C . GLY C 3 100 ? 7.360 30.477 41.363 1.00 69.12 ? 96 GLY H C 1 ATOM 4660 O O . GLY C 3 100 ? 7.645 30.761 42.524 1.00 66.38 ? 96 GLY H O 1 ATOM 4661 N N . GLY C 3 101 ? 7.901 29.459 40.700 1.00 79.99 ? 97 GLY H N 1 ATOM 4662 C CA . GLY C 3 101 ? 9.097 28.771 41.150 1.00 77.23 ? 97 GLY H CA 1 ATOM 4663 C C . GLY C 3 101 ? 8.844 27.704 42.189 1.00 70.94 ? 97 GLY H C 1 ATOM 4664 O O . GLY C 3 101 ? 7.695 27.436 42.543 1.00 56.99 ? 97 GLY H O 1 ATOM 4665 N N . GLU C 3 102 ? 9.930 27.100 42.668 1.00 74.88 ? 98 GLU H N 1 ATOM 4666 C CA . GLU C 3 102 ? 9.881 26.110 43.731 1.00 66.83 ? 98 GLU H CA 1 ATOM 4667 C C . GLU C 3 102 ? 8.956 24.949 43.388 1.00 61.75 ? 98 GLU H C 1 ATOM 4668 O O . GLU C 3 102 ? 7.759 24.996 43.671 1.00 73.35 ? 98 GLU H O 1 ATOM 4669 C CB . GLU C 3 102 ? 9.465 26.771 45.045 1.00 75.08 ? 98 GLU H CB 1 ATOM 4670 C CG . GLU C 3 102 ? 10.570 27.576 45.710 1.00 85.37 ? 98 GLU H CG 1 ATOM 4671 C CD . GLU C 3 102 ? 11.431 26.716 46.609 1.00 91.10 ? 98 GLU H CD 1 ATOM 4672 O OE1 . GLU C 3 102 ? 10.888 25.744 47.173 1.00 89.64 ? 98 GLU H OE1 1 ATOM 4673 O OE2 . GLU C 3 102 ? 12.639 27.002 46.748 1.00 93.68 ? 98 GLU H OE2 1 ATOM 4674 N N . TRP C 3 103 ? 9.516 23.918 42.762 1.00 45.82 ? 99 TRP H N 1 ATOM 4675 C CA . TRP C 3 103 ? 8.750 22.730 42.402 1.00 54.08 ? 99 TRP H CA 1 ATOM 4676 C C . TRP C 3 103 ? 8.054 22.134 43.630 1.00 59.30 ? 99 TRP H C 1 ATOM 4677 O O . TRP C 3 103 ? 8.701 21.779 44.620 1.00 50.97 ? 99 TRP H O 1 ATOM 4678 C CB . TRP C 3 103 ? 9.656 21.697 41.727 1.00 54.84 ? 99 TRP H CB 1 ATOM 4679 C CG . TRP C 3 103 ? 10.130 22.095 40.364 1.00 55.15 ? 99 TRP H CG 1 ATOM 4680 C CD1 . TRP C 3 103 ? 11.422 22.289 39.972 1.00 51.32 ? 99 TRP H CD1 1 ATOM 4681 C CD2 . TRP C 3 103 ? 9.318 22.350 39.210 1.00 60.89 ? 99 TRP H CD2 1 ATOM 4682 N NE1 . TRP C 3 103 ? 11.466 22.646 38.647 1.00 47.47 ? 99 TRP H NE1 1 ATOM 4683 C CE2 . TRP C 3 103 ? 10.189 22.693 38.156 1.00 53.17 ? 99 TRP H CE2 1 ATOM 4684 C CE3 . TRP C 3 103 ? 7.942 22.324 38.965 1.00 72.93 ? 99 TRP H CE3 1 ATOM 4685 C CZ2 . TRP C 3 103 ? 9.729 23.005 36.880 1.00 61.27 ? 99 TRP H CZ2 1 ATOM 4686 C CZ3 . TRP C 3 103 ? 7.488 22.636 37.695 1.00 73.25 ? 99 TRP H CZ3 1 ATOM 4687 C CH2 . TRP C 3 103 ? 8.379 22.971 36.670 1.00 68.12 ? 99 TRP H CH2 1 ATOM 4688 N N . GLY C 3 104 ? 6.729 22.050 43.560 1.00 60.82 ? 100 GLY H N 1 ATOM 4689 C CA . GLY C 3 104 ? 5.937 21.559 44.669 1.00 58.74 ? 100 GLY H CA 1 ATOM 4690 C C . GLY C 3 104 ? 4.998 22.618 45.213 1.00 52.16 ? 100 GLY H C 1 ATOM 4691 O O . GLY C 3 104 ? 4.259 22.384 46.171 1.00 53.66 ? 100 GLY H O 1 ATOM 4692 N N . SER C 3 105 A 5.028 23.789 44.588 1.00 46.07 ? 100 SER H N 1 ATOM 4693 C CA . SER C 3 105 A 4.202 24.913 45.006 1.00 48.79 ? 100 SER H CA 1 ATOM 4694 C C . SER C 3 105 A 2.928 25.003 44.172 1.00 56.44 ? 100 SER H C 1 ATOM 4695 O O . SER C 3 105 A 1.952 25.637 44.574 1.00 50.40 ? 100 SER H O 1 ATOM 4696 C CB . SER C 3 105 A 4.994 26.210 44.882 1.00 50.58 ? 100 SER H CB 1 ATOM 4697 O OG . SER C 3 105 A 5.463 26.378 43.555 1.00 56.91 ? 100 SER H OG 1 ATOM 4698 N N . GLY C 3 106 B 2.949 24.374 43.002 1.00 66.46 ? 100 GLY H N 1 ATOM 4699 C CA . GLY C 3 106 B 1.785 24.339 42.136 1.00 68.11 ? 100 GLY H CA 1 ATOM 4700 C C . GLY C 3 106 B 1.546 25.637 41.392 1.00 67.42 ? 100 GLY H C 1 ATOM 4701 O O . GLY C 3 106 B 0.666 25.716 40.535 1.00 68.78 ? 100 GLY H O 1 ATOM 4702 N N . ARG C 3 107 C 2.324 26.661 41.726 1.00 66.31 ? 100 ARG H N 1 ATOM 4703 C CA . ARG C 3 107 C 2.224 27.947 41.046 1.00 64.09 ? 100 ARG H CA 1 ATOM 4704 C C . ARG C 3 107 C 3.214 28.012 39.887 1.00 64.87 ? 100 ARG H C 1 ATOM 4705 O O . ARG C 3 107 C 4.345 28.478 40.040 1.00 62.94 ? 100 ARG H O 1 ATOM 4706 C CB . ARG C 3 107 C 2.428 29.110 42.026 1.00 59.03 ? 100 ARG H CB 1 ATOM 4707 C CG . ARG C 3 107 C 3.478 28.885 43.098 1.00 62.67 ? 100 ARG H CG 1 ATOM 4708 C CD . ARG C 3 107 C 3.727 30.158 43.903 1.00 64.87 ? 100 ARG H CD 1 ATOM 4709 N NE . ARG C 3 107 C 2.485 30.846 44.247 1.00 62.09 ? 100 ARG H NE 1 ATOM 4710 C CZ . ARG C 3 107 C 1.959 30.889 45.467 1.00 63.83 ? 100 ARG H CZ 1 ATOM 4711 N NH1 . ARG C 3 107 C 2.568 30.285 46.480 1.00 60.62 ? 100 ARG H NH1 1 ATOM 4712 N NH2 . ARG C 3 107 C 0.822 31.542 45.674 1.00 70.87 ? 100 ARG H NH2 1 ATOM 4713 N N . TYR C 3 108 D 2.774 27.533 38.727 1.00 65.54 ? 100 TYR H N 1 ATOM 4714 C CA . TYR C 3 108 D 3.639 27.418 37.558 1.00 51.92 ? 100 TYR H CA 1 ATOM 4715 C C . TYR C 3 108 D 3.285 28.445 36.487 1.00 54.18 ? 100 TYR H C 1 ATOM 4716 O O . TYR C 3 108 D 3.508 28.220 35.298 1.00 59.40 ? 100 TYR H O 1 ATOM 4717 C CB . TYR C 3 108 D 3.577 25.999 36.992 1.00 45.59 ? 100 TYR H CB 1 ATOM 4718 C CG . TYR C 3 108 D 3.946 24.932 38.000 1.00 58.90 ? 100 TYR H CG 1 ATOM 4719 C CD1 . TYR C 3 108 D 4.827 25.208 39.038 1.00 74.47 ? 100 TYR H CD1 1 ATOM 4720 C CD2 . TYR C 3 108 D 3.411 23.654 37.920 1.00 60.71 ? 100 TYR H CD2 1 ATOM 4721 C CE1 . TYR C 3 108 D 5.166 24.245 39.966 1.00 78.50 ? 100 TYR H CE1 1 ATOM 4722 C CE2 . TYR C 3 108 D 3.746 22.681 38.843 1.00 69.14 ? 100 TYR H CE2 1 ATOM 4723 C CZ . TYR C 3 108 D 4.624 22.983 39.865 1.00 79.24 ? 100 TYR H CZ 1 ATOM 4724 O OH . TYR C 3 108 D 4.967 22.026 40.793 1.00 85.80 ? 100 TYR H OH 1 ATOM 4725 N N . TYR C 3 109 E 2.727 29.571 36.920 1.00 53.31 ? 100 TYR H N 1 ATOM 4726 C CA . TYR C 3 109 E 2.548 30.725 36.053 1.00 48.59 ? 100 TYR H CA 1 ATOM 4727 C C . TYR C 3 109 E 3.907 31.382 35.825 1.00 50.05 ? 100 TYR H C 1 ATOM 4728 O O . TYR C 3 109 E 4.832 31.182 36.609 1.00 54.07 ? 100 TYR H O 1 ATOM 4729 C CB . TYR C 3 109 E 1.570 31.722 36.686 1.00 52.75 ? 100 TYR H CB 1 ATOM 4730 C CG . TYR C 3 109 E 1.905 32.112 38.116 1.00 58.13 ? 100 TYR H CG 1 ATOM 4731 C CD1 . TYR C 3 109 E 2.904 33.039 38.392 1.00 57.38 ? 100 TYR H CD1 1 ATOM 4732 C CD2 . TYR C 3 109 E 1.213 31.562 39.188 1.00 58.06 ? 100 TYR H CD2 1 ATOM 4733 C CE1 . TYR C 3 109 E 3.212 33.398 39.692 1.00 58.52 ? 100 TYR H CE1 1 ATOM 4734 C CE2 . TYR C 3 109 E 1.512 31.920 40.491 1.00 58.33 ? 100 TYR H CE2 1 ATOM 4735 C CZ . TYR C 3 109 E 2.513 32.836 40.738 1.00 57.08 ? 100 TYR H CZ 1 ATOM 4736 O OH . TYR C 3 109 E 2.816 33.192 42.033 1.00 46.69 ? 100 TYR H OH 1 ATOM 4737 N N . LEU C 3 110 F 4.026 32.164 34.757 1.00 45.54 ? 100 LEU H N 1 ATOM 4738 C CA . LEU C 3 110 F 5.263 32.881 34.454 1.00 43.59 ? 100 LEU H CA 1 ATOM 4739 C C . LEU C 3 110 F 5.166 34.332 34.934 1.00 47.35 ? 100 LEU H C 1 ATOM 4740 O O . LEU C 3 110 F 4.527 35.160 34.285 1.00 40.91 ? 100 LEU H O 1 ATOM 4741 C CB . LEU C 3 110 F 5.520 32.847 32.948 1.00 44.89 ? 100 LEU H CB 1 ATOM 4742 C CG . LEU C 3 110 F 5.438 31.454 32.315 1.00 40.56 ? 100 LEU H CG 1 ATOM 4743 C CD1 . LEU C 3 110 F 5.099 31.542 30.838 1.00 40.60 ? 100 LEU H CD1 1 ATOM 4744 C CD2 . LEU C 3 110 F 6.742 30.708 32.511 1.00 33.44 ? 100 LEU H CD2 1 ATOM 4745 N N . ASP C 3 111 ? 5.798 34.644 36.063 1.00 66.42 ? 101 ASP H N 1 ATOM 4746 C CA . ASP C 3 111 ? 5.567 35.934 36.717 1.00 77.06 ? 101 ASP H CA 1 ATOM 4747 C C . ASP C 3 111 ? 6.510 37.058 36.279 1.00 75.13 ? 101 ASP H C 1 ATOM 4748 O O . ASP C 3 111 ? 6.209 38.239 36.460 1.00 82.32 ? 101 ASP H O 1 ATOM 4749 C CB . ASP C 3 111 ? 5.557 35.787 38.250 1.00 89.81 ? 101 ASP H CB 1 ATOM 4750 C CG . ASP C 3 111 ? 6.915 35.412 38.826 1.00 99.61 ? 101 ASP H CG 1 ATOM 4751 O OD1 . ASP C 3 111 ? 7.755 34.863 38.087 1.00 108.70 ? 101 ASP H OD1 1 ATOM 4752 O OD2 . ASP C 3 111 ? 7.133 35.664 40.032 1.00 95.72 ? 101 ASP H OD2 1 ATOM 4753 N N . HIS C 3 112 ? 7.641 36.685 35.692 1.00 55.95 ? 102 HIS H N 1 ATOM 4754 C CA . HIS C 3 112 ? 8.617 37.655 35.212 1.00 56.05 ? 102 HIS H CA 1 ATOM 4755 C C . HIS C 3 112 ? 9.049 37.311 33.798 1.00 62.82 ? 102 HIS H C 1 ATOM 4756 O O . HIS C 3 112 ? 8.961 36.161 33.378 1.00 70.48 ? 102 HIS H O 1 ATOM 4757 C CB . HIS C 3 112 ? 9.828 37.699 36.139 1.00 58.65 ? 102 HIS H CB 1 ATOM 4758 C CG . HIS C 3 112 ? 9.568 38.381 37.442 1.00 64.84 ? 102 HIS H CG 1 ATOM 4759 N ND1 . HIS C 3 112 ? 10.001 37.880 38.652 1.00 63.30 ? 102 HIS H ND1 1 ATOM 4760 C CD2 . HIS C 3 112 ? 8.917 39.539 37.732 1.00 69.48 ? 102 HIS H CD2 1 ATOM 4761 C CE1 . HIS C 3 112 ? 9.630 38.690 39.625 1.00 65.40 ? 102 HIS H CE1 1 ATOM 4762 N NE2 . HIS C 3 112 ? 8.973 39.704 39.093 1.00 72.57 ? 102 HIS H NE2 1 ATOM 4763 N N . TRP C 3 113 ? 9.517 38.314 33.064 1.00 64.15 ? 103 TRP H N 1 ATOM 4764 C CA . TRP C 3 113 ? 9.848 38.136 31.656 1.00 59.20 ? 103 TRP H CA 1 ATOM 4765 C C . TRP C 3 113 ? 11.106 38.894 31.265 1.00 67.24 ? 103 TRP H C 1 ATOM 4766 O O . TRP C 3 113 ? 11.639 39.683 32.042 1.00 82.42 ? 103 TRP H O 1 ATOM 4767 C CB . TRP C 3 113 ? 8.689 38.613 30.782 1.00 48.79 ? 103 TRP H CB 1 ATOM 4768 C CG . TRP C 3 113 ? 7.444 37.806 30.930 1.00 50.25 ? 103 TRP H CG 1 ATOM 4769 C CD1 . TRP C 3 113 ? 6.474 37.959 31.875 1.00 63.15 ? 103 TRP H CD1 1 ATOM 4770 C CD2 . TRP C 3 113 ? 7.024 36.721 30.096 1.00 41.88 ? 103 TRP H CD2 1 ATOM 4771 N NE1 . TRP C 3 113 ? 5.478 37.033 31.684 1.00 61.96 ? 103 TRP H NE1 1 ATOM 4772 C CE2 . TRP C 3 113 ? 5.792 36.262 30.597 1.00 46.78 ? 103 TRP H CE2 1 ATOM 4773 C CE3 . TRP C 3 113 ? 7.572 36.096 28.973 1.00 47.84 ? 103 TRP H CE3 1 ATOM 4774 C CZ2 . TRP C 3 113 ? 5.099 35.204 30.015 1.00 49.53 ? 103 TRP H CZ2 1 ATOM 4775 C CZ3 . TRP C 3 113 ? 6.883 35.047 28.396 1.00 44.94 ? 103 TRP H CZ3 1 ATOM 4776 C CH2 . TRP C 3 113 ? 5.660 34.611 28.918 1.00 47.49 ? 103 TRP H CH2 1 ATOM 4777 N N . GLY C 3 114 ? 11.573 38.641 30.048 1.00 62.43 ? 104 GLY H N 1 ATOM 4778 C CA . GLY C 3 114 ? 12.626 39.437 29.450 1.00 67.27 ? 104 GLY H CA 1 ATOM 4779 C C . GLY C 3 114 ? 11.987 40.450 28.526 1.00 66.77 ? 104 GLY H C 1 ATOM 4780 O O . GLY C 3 114 ? 10.768 40.583 28.515 1.00 66.01 ? 104 GLY H O 1 ATOM 4781 N N . GLN C 3 115 ? 12.794 41.168 27.753 1.00 58.65 ? 105 GLN H N 1 ATOM 4782 C CA . GLN C 3 115 ? 12.247 42.092 26.766 1.00 57.11 ? 105 GLN H CA 1 ATOM 4783 C C . GLN C 3 115 ? 12.056 41.376 25.436 1.00 58.08 ? 105 GLN H C 1 ATOM 4784 O O . GLN C 3 115 ? 11.378 41.877 24.541 1.00 66.47 ? 105 GLN H O 1 ATOM 4785 C CB . GLN C 3 115 ? 13.149 43.317 26.585 1.00 65.88 ? 105 GLN H CB 1 ATOM 4786 C CG . GLN C 3 115 ? 14.448 43.044 25.847 1.00 66.01 ? 105 GLN H CG 1 ATOM 4787 C CD . GLN C 3 115 ? 15.487 42.370 26.718 1.00 72.42 ? 105 GLN H CD 1 ATOM 4788 O OE1 . GLN C 3 115 ? 15.336 42.288 27.937 1.00 78.64 ? 105 GLN H OE1 1 ATOM 4789 N NE2 . GLN C 3 115 ? 16.553 41.884 26.094 1.00 73.35 ? 105 GLN H NE2 1 ATOM 4790 N N . GLY C 3 116 ? 12.652 40.195 25.318 1.00 54.08 ? 106 GLY H N 1 ATOM 4791 C CA . GLY C 3 116 ? 12.560 39.416 24.100 1.00 52.79 ? 106 GLY H CA 1 ATOM 4792 C C . GLY C 3 116 ? 13.774 39.585 23.209 1.00 61.60 ? 106 GLY H C 1 ATOM 4793 O O . GLY C 3 116 ? 14.430 40.627 23.217 1.00 70.49 ? 106 GLY H O 1 ATOM 4794 N N . THR C 3 117 ? 14.076 38.547 22.440 1.00 54.66 ? 107 THR H N 1 ATOM 4795 C CA . THR C 3 117 ? 15.179 38.592 21.492 1.00 56.66 ? 107 THR H CA 1 ATOM 4796 C C . THR C 3 117 ? 14.689 38.165 20.117 1.00 59.09 ? 107 THR H C 1 ATOM 4797 O O . THR C 3 117 ? 14.195 37.052 19.942 1.00 63.38 ? 107 THR H O 1 ATOM 4798 C CB . THR C 3 117 ? 16.338 37.677 21.927 1.00 60.63 ? 107 THR H CB 1 ATOM 4799 O OG1 . THR C 3 117 ? 16.876 38.144 23.170 1.00 65.76 ? 107 THR H OG1 1 ATOM 4800 C CG2 . THR C 3 117 ? 17.439 37.667 20.879 1.00 32.56 ? 107 THR H CG2 1 ATOM 4801 N N . LEU C 3 118 ? 14.811 39.061 19.145 1.00 58.52 ? 108 LEU H N 1 ATOM 4802 C CA . LEU C 3 118 ? 14.413 38.749 17.783 1.00 46.79 ? 108 LEU H CA 1 ATOM 4803 C C . LEU C 3 118 ? 15.560 38.088 17.036 1.00 46.54 ? 108 LEU H C 1 ATOM 4804 O O . LEU C 3 118 ? 16.640 38.662 16.906 1.00 59.34 ? 108 LEU H O 1 ATOM 4805 C CB . LEU C 3 118 ? 13.982 40.012 17.040 1.00 46.88 ? 108 LEU H CB 1 ATOM 4806 C CG . LEU C 3 118 ? 13.507 39.763 15.607 1.00 50.34 ? 108 LEU H CG 1 ATOM 4807 C CD1 . LEU C 3 118 ? 12.094 39.194 15.604 1.00 45.26 ? 108 LEU H CD1 1 ATOM 4808 C CD2 . LEU C 3 118 ? 13.596 41.030 14.766 1.00 55.68 ? 108 LEU H CD2 1 ATOM 4809 N N . VAL C 3 119 ? 15.323 36.874 16.554 1.00 38.31 ? 109 VAL H N 1 ATOM 4810 C CA . VAL C 3 119 ? 16.289 36.184 15.714 1.00 43.58 ? 109 VAL H CA 1 ATOM 4811 C C . VAL C 3 119 ? 15.765 36.126 14.284 1.00 53.23 ? 109 VAL H C 1 ATOM 4812 O O . VAL C 3 119 ? 14.836 35.376 13.983 1.00 62.15 ? 109 VAL H O 1 ATOM 4813 C CB . VAL C 3 119 ? 16.577 34.753 16.224 1.00 43.15 ? 109 VAL H CB 1 ATOM 4814 C CG1 . VAL C 3 119 ? 17.437 33.987 15.228 1.00 36.01 ? 109 VAL H CG1 1 ATOM 4815 C CG2 . VAL C 3 119 ? 17.249 34.798 17.587 1.00 46.13 ? 109 VAL H CG2 1 ATOM 4816 N N . THR C 3 120 ? 16.347 36.938 13.409 1.00 52.14 ? 110 THR H N 1 ATOM 4817 C CA . THR C 3 120 ? 15.971 36.927 12.004 1.00 50.15 ? 110 THR H CA 1 ATOM 4818 C C . THR C 3 120 ? 16.913 36.015 11.241 1.00 48.29 ? 110 THR H C 1 ATOM 4819 O O . THR C 3 120 ? 18.116 36.270 11.180 1.00 48.89 ? 110 THR H O 1 ATOM 4820 C CB . THR C 3 120 ? 16.023 38.339 11.388 1.00 50.49 ? 110 THR H CB 1 ATOM 4821 O OG1 . THR C 3 120 ? 16.339 39.299 12.405 1.00 56.15 ? 110 THR H OG1 1 ATOM 4822 C CG2 . THR C 3 120 ? 14.685 38.690 10.761 1.00 38.96 ? 110 THR H CG2 1 ATOM 4823 N N . VAL C 3 121 ? 16.370 34.946 10.672 1.00 40.82 ? 111 VAL H N 1 ATOM 4824 C CA . VAL C 3 121 ? 17.192 33.986 9.949 1.00 39.32 ? 111 VAL H CA 1 ATOM 4825 C C . VAL C 3 121 ? 17.230 34.283 8.455 1.00 45.97 ? 111 VAL H C 1 ATOM 4826 O O . VAL C 3 121 ? 16.293 33.966 7.723 1.00 48.72 ? 111 VAL H O 1 ATOM 4827 C CB . VAL C 3 121 ? 16.722 32.536 10.178 1.00 37.38 ? 111 VAL H CB 1 ATOM 4828 C CG1 . VAL C 3 121 ? 17.659 31.564 9.475 1.00 41.21 ? 111 VAL H CG1 1 ATOM 4829 C CG2 . VAL C 3 121 ? 16.659 32.236 11.665 1.00 36.37 ? 111 VAL H CG2 1 ATOM 4830 N N . SER C 3 122 ? 18.323 34.899 8.016 1.00 52.20 ? 112 SER H N 1 ATOM 4831 C CA . SER C 3 122 ? 18.501 35.275 6.619 1.00 58.38 ? 112 SER H CA 1 ATOM 4832 C C . SER C 3 122 ? 19.951 35.093 6.180 1.00 54.85 ? 112 SER H C 1 ATOM 4833 O O . SER C 3 122 ? 20.878 35.404 6.925 1.00 47.36 ? 112 SER H O 1 ATOM 4834 C CB . SER C 3 122 ? 18.066 36.726 6.395 1.00 65.85 ? 112 SER H CB 1 ATOM 4835 O OG . SER C 3 122 ? 18.372 37.155 5.078 1.00 78.06 ? 112 SER H OG 1 ATOM 4836 N N . SER C 3 123 ? 20.140 34.591 4.964 1.00 56.88 ? 113 SER H N 1 ATOM 4837 C CA . SER C 3 123 ? 21.478 34.338 4.437 1.00 62.92 ? 113 SER H CA 1 ATOM 4838 C C . SER C 3 123 ? 22.031 35.552 3.698 1.00 58.99 ? 113 SER H C 1 ATOM 4839 O O . SER C 3 123 ? 23.049 35.467 3.014 1.00 56.86 ? 113 SER H O 1 ATOM 4840 C CB . SER C 3 123 ? 21.459 33.120 3.509 1.00 71.06 ? 113 SER H CB 1 ATOM 4841 O OG . SER C 3 123 ? 20.343 33.164 2.634 1.00 72.02 ? 113 SER H OG 1 ATOM 4842 N N . ALA C 3 124 ? 21.361 36.686 3.852 1.00 64.13 ? 114 ALA H N 1 ATOM 4843 C CA . ALA C 3 124 ? 21.710 37.884 3.102 1.00 65.28 ? 114 ALA H CA 1 ATOM 4844 C C . ALA C 3 124 ? 22.742 38.736 3.823 1.00 74.92 ? 114 ALA H C 1 ATOM 4845 O O . ALA C 3 124 ? 23.156 38.427 4.939 1.00 84.45 ? 114 ALA H O 1 ATOM 4846 C CB . ALA C 3 124 ? 20.471 38.704 2.832 1.00 59.72 ? 114 ALA H CB 1 ATOM 4847 N N . SER C 3 125 ? 23.159 39.808 3.164 1.00 87.91 ? 115 SER H N 1 ATOM 4848 C CA . SER C 3 125 ? 23.924 40.856 3.817 1.00 101.61 ? 115 SER H CA 1 ATOM 4849 C C . SER C 3 125 ? 23.231 42.173 3.525 1.00 95.17 ? 115 SER H C 1 ATOM 4850 O O . SER C 3 125 ? 22.075 42.190 3.100 1.00 103.58 ? 115 SER H O 1 ATOM 4851 C CB . SER C 3 125 ? 25.364 40.903 3.305 1.00 119.37 ? 115 SER H CB 1 ATOM 4852 O OG . SER C 3 125 ? 25.542 41.973 2.387 1.00 129.05 ? 115 SER H OG 1 ATOM 4853 N N . THR C 3 126 ? 23.942 43.273 3.739 1.00 64.31 ? 116 THR H N 1 ATOM 4854 C CA . THR C 3 126 ? 23.367 44.592 3.525 1.00 48.63 ? 116 THR H CA 1 ATOM 4855 C C . THR C 3 126 ? 23.033 44.819 2.055 1.00 39.45 ? 116 THR H C 1 ATOM 4856 O O . THR C 3 126 ? 23.886 44.670 1.178 1.00 34.47 ? 116 THR H O 1 ATOM 4857 C CB . THR C 3 126 ? 24.291 45.702 4.026 1.00 48.37 ? 116 THR H CB 1 ATOM 4858 O OG1 . THR C 3 126 ? 24.618 45.466 5.401 1.00 44.51 ? 116 THR H OG1 1 ATOM 4859 C CG2 . THR C 3 126 ? 23.605 47.053 3.894 1.00 46.82 ? 116 THR H CG2 1 ATOM 4860 N N . LYS C 3 127 ? 21.779 45.167 1.794 1.00 42.18 ? 117 LYS H N 1 ATOM 4861 C CA . LYS C 3 127 ? 21.318 45.378 0.431 1.00 46.15 ? 117 LYS H CA 1 ATOM 4862 C C . LYS C 3 127 ? 20.329 46.537 0.353 1.00 53.18 ? 117 LYS H C 1 ATOM 4863 O O . LYS C 3 127 ? 19.358 46.595 1.108 1.00 52.45 ? 117 LYS H O 1 ATOM 4864 C CB . LYS C 3 127 ? 20.673 44.105 -0.119 1.00 41.40 ? 117 LYS H CB 1 ATOM 4865 C CG . LYS C 3 127 ? 20.160 44.253 -1.541 1.00 47.81 ? 117 LYS H CG 1 ATOM 4866 C CD . LYS C 3 127 ? 19.417 43.015 -2.012 1.00 42.89 ? 117 LYS H CD 1 ATOM 4867 C CE . LYS C 3 127 ? 19.107 43.103 -3.500 1.00 48.97 ? 117 LYS H CE 1 ATOM 4868 N NZ . LYS C 3 127 ? 18.391 44.364 -3.866 1.00 52.10 ? 117 LYS H NZ 1 ATOM 4869 N N . GLY C 3 128 ? 20.586 47.457 -0.570 1.00 51.94 ? 118 GLY H N 1 ATOM 4870 C CA . GLY C 3 128 ? 19.686 48.565 -0.815 1.00 54.74 ? 118 GLY H CA 1 ATOM 4871 C C . GLY C 3 128 ? 18.436 48.101 -1.536 1.00 60.11 ? 118 GLY H C 1 ATOM 4872 O O . GLY C 3 128 ? 18.471 47.127 -2.289 1.00 68.39 ? 118 GLY H O 1 ATOM 4873 N N . PRO C 3 129 ? 17.316 48.799 -1.310 1.00 49.04 ? 119 PRO H N 1 ATOM 4874 C CA . PRO C 3 129 ? 16.030 48.407 -1.888 1.00 40.17 ? 119 PRO H CA 1 ATOM 4875 C C . PRO C 3 129 ? 15.875 48.853 -3.333 1.00 44.98 ? 119 PRO H C 1 ATOM 4876 O O . PRO C 3 129 ? 16.479 49.843 -3.747 1.00 47.51 ? 119 PRO H O 1 ATOM 4877 C CB . PRO C 3 129 ? 15.030 49.167 -1.022 1.00 38.49 ? 119 PRO H CB 1 ATOM 4878 C CG . PRO C 3 129 ? 15.755 50.406 -0.646 1.00 42.10 ? 119 PRO H CG 1 ATOM 4879 C CD . PRO C 3 129 ? 17.194 50.000 -0.465 1.00 49.60 ? 119 PRO H CD 1 ATOM 4880 N N . SER C 3 130 ? 15.067 48.116 -4.088 1.00 50.61 ? 120 SER H N 1 ATOM 4881 C CA . SER C 3 130 ? 14.657 48.538 -5.418 1.00 49.42 ? 120 SER H CA 1 ATOM 4882 C C . SER C 3 130 ? 13.261 49.130 -5.298 1.00 49.16 ? 120 SER H C 1 ATOM 4883 O O . SER C 3 130 ? 12.378 48.527 -4.691 1.00 53.54 ? 120 SER H O 1 ATOM 4884 C CB . SER C 3 130 ? 14.638 47.349 -6.373 1.00 56.51 ? 120 SER H CB 1 ATOM 4885 O OG . SER C 3 130 ? 15.745 46.496 -6.136 1.00 74.38 ? 120 SER H OG 1 ATOM 4886 N N . VAL C 3 131 ? 13.064 50.312 -5.867 1.00 42.69 ? 121 VAL H N 1 ATOM 4887 C CA . VAL C 3 131 ? 11.802 51.019 -5.711 1.00 38.32 ? 121 VAL H CA 1 ATOM 4888 C C . VAL C 3 131 ? 11.003 51.048 -7.005 1.00 48.57 ? 121 VAL H C 1 ATOM 4889 O O . VAL C 3 131 ? 11.473 51.545 -8.029 1.00 56.24 ? 121 VAL H O 1 ATOM 4890 C CB . VAL C 3 131 ? 12.025 52.458 -5.228 1.00 36.03 ? 121 VAL H CB 1 ATOM 4891 C CG1 . VAL C 3 131 ? 10.708 53.069 -4.781 1.00 36.18 ? 121 VAL H CG1 1 ATOM 4892 C CG2 . VAL C 3 131 ? 13.035 52.481 -4.096 1.00 39.56 ? 121 VAL H CG2 1 ATOM 4893 N N . PHE C 3 132 ? 9.787 50.516 -6.946 1.00 52.23 ? 122 PHE H N 1 ATOM 4894 C CA . PHE C 3 132 ? 8.905 50.484 -8.105 1.00 55.64 ? 122 PHE H CA 1 ATOM 4895 C C . PHE C 3 132 ? 7.647 51.304 -7.849 1.00 57.12 ? 122 PHE H C 1 ATOM 4896 O O . PHE C 3 132 ? 7.132 51.322 -6.733 1.00 68.31 ? 122 PHE H O 1 ATOM 4897 C CB . PHE C 3 132 ? 8.529 49.044 -8.443 1.00 56.63 ? 122 PHE H CB 1 ATOM 4898 C CG . PHE C 3 132 ? 9.711 48.139 -8.612 1.00 57.01 ? 122 PHE H CG 1 ATOM 4899 C CD1 . PHE C 3 132 ? 10.620 48.353 -9.632 1.00 53.35 ? 122 PHE H CD1 1 ATOM 4900 C CD2 . PHE C 3 132 ? 9.912 47.070 -7.758 1.00 60.20 ? 122 PHE H CD2 1 ATOM 4901 C CE1 . PHE C 3 132 ? 11.708 47.522 -9.795 1.00 45.96 ? 122 PHE H CE1 1 ATOM 4902 C CE2 . PHE C 3 132 ? 11.000 46.233 -7.918 1.00 55.07 ? 122 PHE H CE2 1 ATOM 4903 C CZ . PHE C 3 132 ? 11.899 46.461 -8.938 1.00 42.85 ? 122 PHE H CZ 1 ATOM 4904 N N . PRO C 3 133 ? 7.150 51.992 -8.886 1.00 47.22 ? 123 PRO H N 1 ATOM 4905 C CA . PRO C 3 133 ? 5.933 52.791 -8.726 1.00 49.76 ? 123 PRO H CA 1 ATOM 4906 C C . PRO C 3 133 ? 4.667 51.942 -8.802 1.00 55.05 ? 123 PRO H C 1 ATOM 4907 O O . PRO C 3 133 ? 4.571 51.047 -9.642 1.00 57.06 ? 123 PRO H O 1 ATOM 4908 C CB . PRO C 3 133 ? 5.992 53.746 -9.921 1.00 45.02 ? 123 PRO H CB 1 ATOM 4909 C CG . PRO C 3 133 ? 6.729 52.982 -10.966 1.00 41.90 ? 123 PRO H CG 1 ATOM 4910 C CD . PRO C 3 133 ? 7.743 52.141 -10.227 1.00 46.61 ? 123 PRO H CD 1 ATOM 4911 N N . LEU C 3 134 ? 3.712 52.218 -7.920 1.00 63.01 ? 124 LEU H N 1 ATOM 4912 C CA . LEU C 3 134 ? 2.371 51.660 -8.042 1.00 60.76 ? 124 LEU H CA 1 ATOM 4913 C C . LEU C 3 134 ? 1.467 52.736 -8.629 1.00 62.44 ? 124 LEU H C 1 ATOM 4914 O O . LEU C 3 134 ? 0.925 53.572 -7.905 1.00 75.33 ? 124 LEU H O 1 ATOM 4915 C CB . LEU C 3 134 ? 1.847 51.194 -6.686 1.00 54.55 ? 124 LEU H CB 1 ATOM 4916 C CG . LEU C 3 134 ? 2.592 50.011 -6.071 1.00 56.61 ? 124 LEU H CG 1 ATOM 4917 C CD1 . LEU C 3 134 ? 2.082 49.737 -4.670 1.00 55.05 ? 124 LEU H CD1 1 ATOM 4918 C CD2 . LEU C 3 134 ? 2.449 48.775 -6.948 1.00 52.30 ? 124 LEU H CD2 1 ATOM 4919 N N . ALA C 3 135 ? 1.316 52.703 -9.949 1.00 42.22 ? 125 ALA H N 1 ATOM 4920 C CA . ALA C 3 135 ? 0.702 53.800 -10.691 1.00 35.71 ? 125 ALA H CA 1 ATOM 4921 C C . ALA C 3 135 ? -0.816 53.873 -10.557 1.00 35.62 ? 125 ALA H C 1 ATOM 4922 O O . ALA C 3 135 ? -1.504 52.861 -10.667 1.00 44.10 ? 125 ALA H O 1 ATOM 4923 C CB . ALA C 3 135 ? 1.102 53.722 -12.156 1.00 47.81 ? 125 ALA H CB 1 ATOM 4924 N N . PRO C 3 136 ? -1.339 55.086 -10.324 1.00 37.44 ? 126 PRO H N 1 ATOM 4925 C CA . PRO C 3 136 ? -2.784 55.305 -10.243 1.00 42.44 ? 126 PRO H CA 1 ATOM 4926 C C . PRO C 3 136 ? -3.422 55.153 -11.617 1.00 48.40 ? 126 PRO H C 1 ATOM 4927 O O . PRO C 3 136 ? -2.939 55.722 -12.596 1.00 50.76 ? 126 PRO H O 1 ATOM 4928 C CB . PRO C 3 136 ? -2.888 56.753 -9.763 1.00 47.07 ? 126 PRO H CB 1 ATOM 4929 C CG . PRO C 3 136 ? -1.635 57.397 -10.239 1.00 38.75 ? 126 PRO H CG 1 ATOM 4930 C CD . PRO C 3 136 ? -0.578 56.335 -10.143 1.00 40.37 ? 126 PRO H CD 1 ATOM 4931 N N . SER C 3 137 ? -4.499 54.383 -11.687 1.00 58.55 ? 127 SER H N 1 ATOM 4932 C CA . SER C 3 137 ? -5.165 54.130 -12.956 1.00 70.94 ? 127 SER H CA 1 ATOM 4933 C C . SER C 3 137 ? -6.678 54.157 -12.796 1.00 83.21 ? 127 SER H C 1 ATOM 4934 O O . SER C 3 137 ? -7.196 54.684 -11.812 1.00 83.85 ? 127 SER H O 1 ATOM 4935 C CB . SER C 3 137 ? -4.718 52.784 -13.531 1.00 63.01 ? 127 SER H CB 1 ATOM 4936 O OG . SER C 3 137 ? -4.877 51.746 -12.578 1.00 44.52 ? 127 SER H OG 1 ATOM 4937 N N . SER C 3 138 ? -7.378 53.581 -13.768 1.00 101.16 ? 128 SER H N 1 ATOM 4938 C CA . SER C 3 138 ? -8.834 53.508 -13.736 1.00 110.80 ? 128 SER H CA 1 ATOM 4939 C C . SER C 3 138 ? -9.302 52.584 -12.618 1.00 115.48 ? 128 SER H C 1 ATOM 4940 O O . SER C 3 138 ? -10.425 52.702 -12.127 1.00 119.35 ? 128 SER H O 1 ATOM 4941 C CB . SER C 3 138 ? -9.366 53.003 -15.077 1.00 113.47 ? 128 SER H CB 1 ATOM 4942 O OG . SER C 3 138 ? -8.746 53.680 -16.154 1.00 115.86 ? 128 SER H OG 1 ATOM 4943 N N . LYS C 3 139 ? -8.429 51.663 -12.224 1.00 113.49 ? 129 LYS H N 1 ATOM 4944 C CA . LYS C 3 139 ? -8.750 50.685 -11.194 1.00 111.96 ? 129 LYS H CA 1 ATOM 4945 C C . LYS C 3 139 ? -8.352 51.206 -9.822 1.00 107.84 ? 129 LYS H C 1 ATOM 4946 O O . LYS C 3 139 ? -8.910 50.797 -8.804 1.00 112.47 ? 129 LYS H O 1 ATOM 4947 C CB . LYS C 3 139 ? -8.023 49.369 -11.474 1.00 109.13 ? 129 LYS H CB 1 ATOM 4948 C CG . LYS C 3 139 ? -7.828 49.070 -12.954 1.00 104.79 ? 129 LYS H CG 1 ATOM 4949 C CD . LYS C 3 139 ? -8.685 47.902 -13.409 1.00 104.78 ? 129 LYS H CD 1 ATOM 4950 C CE . LYS C 3 139 ? -10.174 48.213 -13.317 1.00 104.50 ? 129 LYS H CE 1 ATOM 4951 N NZ . LYS C 3 139 ? -11.007 47.047 -13.720 1.00 101.18 ? 129 LYS H NZ 1 ATOM 4952 N N . SER C 3 140 ? -7.384 52.116 -9.806 1.00 94.14 ? 130 SER H N 1 ATOM 4953 C CA . SER C 3 140 ? -6.858 52.657 -8.560 1.00 91.76 ? 130 SER H CA 1 ATOM 4954 C C . SER C 3 140 ? -7.636 53.888 -8.097 1.00 95.21 ? 130 SER H C 1 ATOM 4955 O O . SER C 3 140 ? -7.329 54.468 -7.056 1.00 91.48 ? 130 SER H O 1 ATOM 4956 C CB . SER C 3 140 ? -5.374 52.995 -8.715 1.00 90.74 ? 130 SER H CB 1 ATOM 4957 O OG . SER C 3 140 ? -4.641 51.869 -9.168 1.00 90.67 ? 130 SER H OG 1 ATOM 4958 N N . THR C 3 141 ? -8.644 54.282 -8.871 1.00 102.95 ? 131 THR H N 1 ATOM 4959 C CA . THR C 3 141 ? -9.467 55.439 -8.521 1.00 98.89 ? 131 THR H CA 1 ATOM 4960 C C . THR C 3 141 ? -10.887 55.043 -8.109 1.00 99.98 ? 131 THR H C 1 ATOM 4961 O O . THR C 3 141 ? -11.509 54.174 -8.722 1.00 99.88 ? 131 THR H O 1 ATOM 4962 C CB . THR C 3 141 ? -9.520 56.483 -9.664 1.00 97.83 ? 131 THR H CB 1 ATOM 4963 O OG1 . THR C 3 141 ? -10.346 57.585 -9.269 1.00 100.37 ? 131 THR H OG1 1 ATOM 4964 C CG2 . THR C 3 141 ? -10.072 55.870 -10.943 1.00 99.43 ? 131 THR H CG2 1 ATOM 4965 N N . SER C 3 142 ? -11.387 55.680 -7.055 1.00 118.47 ? 132 SER H N 1 ATOM 4966 C CA . SER C 3 142 ? -12.746 55.446 -6.579 1.00 124.01 ? 132 SER H CA 1 ATOM 4967 C C . SER C 3 142 ? -13.459 56.770 -6.341 1.00 120.56 ? 132 SER H C 1 ATOM 4968 O O . SER C 3 142 ? -13.336 57.368 -5.272 1.00 125.42 ? 132 SER H O 1 ATOM 4969 C CB . SER C 3 142 ? -12.741 54.618 -5.292 1.00 126.35 ? 132 SER H CB 1 ATOM 4970 O OG . SER C 3 142 ? -14.047 54.524 -4.745 1.00 126.60 ? 132 SER H OG 1 ATOM 4971 N N . GLY C 3 143 ? -14.204 57.221 -7.345 1.00 96.30 ? 133 GLY H N 1 ATOM 4972 C CA . GLY C 3 143 ? -14.895 58.494 -7.266 1.00 97.10 ? 133 GLY H CA 1 ATOM 4973 C C . GLY C 3 143 ? -13.922 59.654 -7.190 1.00 96.71 ? 133 GLY H C 1 ATOM 4974 O O . GLY C 3 143 ? -13.156 59.896 -8.123 1.00 93.80 ? 133 GLY H O 1 ATOM 4975 N N . GLY C 3 144 ? -13.945 60.368 -6.069 1.00 100.37 ? 134 GLY H N 1 ATOM 4976 C CA . GLY C 3 144 ? -13.094 61.529 -5.887 1.00 99.06 ? 134 GLY H CA 1 ATOM 4977 C C . GLY C 3 144 ? -11.661 61.196 -5.521 1.00 92.05 ? 134 GLY H C 1 ATOM 4978 O O . GLY C 3 144 ? -10.742 61.948 -5.845 1.00 86.39 ? 134 GLY H O 1 ATOM 4979 N N . THR C 3 145 ? -11.463 60.067 -4.849 1.00 98.45 ? 135 THR H N 1 ATOM 4980 C CA . THR C 3 145 ? -10.132 59.691 -4.382 1.00 93.22 ? 135 THR H CA 1 ATOM 4981 C C . THR C 3 145 ? -9.476 58.634 -5.275 1.00 83.91 ? 135 THR H C 1 ATOM 4982 O O . THR C 3 145 ? -10.067 57.604 -5.586 1.00 81.82 ? 135 THR H O 1 ATOM 4983 C CB . THR C 3 145 ? -10.160 59.173 -2.930 1.00 91.44 ? 135 THR H CB 1 ATOM 4984 O OG1 . THR C 3 145 ? -11.025 58.032 -2.834 1.00 96.02 ? 135 THR H OG1 1 ATOM 4985 C CG2 . THR C 3 145 ? -10.666 60.262 -1.990 1.00 84.55 ? 135 THR H CG2 1 ATOM 4986 N N . ALA C 3 146 ? -8.243 58.909 -5.686 1.00 66.15 ? 136 ALA H N 1 ATOM 4987 C CA . ALA C 3 146 ? -7.432 57.954 -6.435 1.00 53.10 ? 136 ALA H CA 1 ATOM 4988 C C . ALA C 3 146 ? -6.187 57.640 -5.625 1.00 56.40 ? 136 ALA H C 1 ATOM 4989 O O . ALA C 3 146 ? -5.589 58.539 -5.038 1.00 68.17 ? 136 ALA H O 1 ATOM 4990 C CB . ALA C 3 146 ? -7.081 58.493 -7.796 1.00 46.42 ? 136 ALA H CB 1 ATOM 4991 N N . ALA C 3 147 ? -5.785 56.374 -5.603 1.00 53.07 ? 137 ALA H N 1 ATOM 4992 C CA . ALA C 3 147 ? -4.656 55.980 -4.776 1.00 51.66 ? 137 ALA H CA 1 ATOM 4993 C C . ALA C 3 147 ? -3.440 55.568 -5.596 1.00 51.65 ? 137 ALA H C 1 ATOM 4994 O O . ALA C 3 147 ? -3.561 55.021 -6.696 1.00 52.35 ? 137 ALA H O 1 ATOM 4995 C CB . ALA C 3 147 ? -5.058 54.868 -3.823 1.00 60.10 ? 137 ALA H CB 1 ATOM 4996 N N . LEU C 3 148 ? -2.267 55.845 -5.042 1.00 51.15 ? 138 LEU H N 1 ATOM 4997 C CA . LEU C 3 148 ? -1.006 55.496 -5.670 1.00 49.02 ? 138 LEU H CA 1 ATOM 4998 C C . LEU C 3 148 ? -0.009 55.144 -4.579 1.00 54.22 ? 138 LEU H C 1 ATOM 4999 O O . LEU C 3 148 ? -0.232 55.447 -3.406 1.00 53.03 ? 138 LEU H O 1 ATOM 5000 C CB . LEU C 3 148 ? -0.480 56.667 -6.495 1.00 45.14 ? 138 LEU H CB 1 ATOM 5001 C CG . LEU C 3 148 ? -0.070 57.903 -5.694 1.00 43.94 ? 138 LEU H CG 1 ATOM 5002 C CD1 . LEU C 3 148 ? 1.218 58.467 -6.251 1.00 50.69 ? 138 LEU H CD1 1 ATOM 5003 C CD2 . LEU C 3 148 ? -1.166 58.952 -5.721 1.00 42.36 ? 138 LEU H CD2 1 ATOM 5004 N N . GLY C 3 149 ? 1.091 54.504 -4.958 1.00 54.99 ? 139 GLY H N 1 ATOM 5005 C CA . GLY C 3 149 ? 2.074 54.102 -3.975 1.00 53.71 ? 139 GLY H CA 1 ATOM 5006 C C . GLY C 3 149 ? 3.425 53.694 -4.521 1.00 50.62 ? 139 GLY H C 1 ATOM 5007 O O . GLY C 3 149 ? 3.709 53.855 -5.708 1.00 53.98 ? 139 GLY H O 1 ATOM 5008 N N . CYS C 3 150 ? 4.259 53.164 -3.631 1.00 50.86 ? 140 CYS H N 1 ATOM 5009 C CA . CYS C 3 150 ? 5.607 52.728 -3.974 1.00 46.81 ? 140 CYS H CA 1 ATOM 5010 C C . CYS C 3 150 ? 5.916 51.362 -3.374 1.00 52.82 ? 140 CYS H C 1 ATOM 5011 O O . CYS C 3 150 ? 5.672 51.122 -2.191 1.00 62.56 ? 140 CYS H O 1 ATOM 5012 C CB . CYS C 3 150 ? 6.637 53.741 -3.480 1.00 39.37 ? 140 CYS H CB 1 ATOM 5013 S SG . CYS C 3 150 ? 6.832 55.179 -4.538 1.00 129.79 ? 140 CYS H SG 1 ATOM 5014 N N . LEU C 3 151 ? 6.458 50.471 -4.194 1.00 42.89 ? 141 LEU H N 1 ATOM 5015 C CA . LEU C 3 151 ? 6.877 49.159 -3.722 1.00 35.14 ? 141 LEU H CA 1 ATOM 5016 C C . LEU C 3 151 ? 8.369 49.157 -3.406 1.00 35.50 ? 141 LEU H C 1 ATOM 5017 O O . LEU C 3 151 ? 9.203 49.244 -4.306 1.00 43.63 ? 141 LEU H O 1 ATOM 5018 C CB . LEU C 3 151 ? 6.550 48.083 -4.760 1.00 33.05 ? 141 LEU H CB 1 ATOM 5019 C CG . LEU C 3 151 ? 6.963 46.658 -4.386 1.00 36.18 ? 141 LEU H CG 1 ATOM 5020 C CD1 . LEU C 3 151 ? 6.320 46.248 -3.069 1.00 32.04 ? 141 LEU H CD1 1 ATOM 5021 C CD2 . LEU C 3 151 ? 6.608 45.674 -5.495 1.00 23.82 ? 141 LEU H CD2 1 ATOM 5022 N N . VAL C 3 152 ? 8.696 49.067 -2.121 1.00 31.18 ? 142 VAL H N 1 ATOM 5023 C CA . VAL C 3 152 ? 10.085 49.022 -1.679 1.00 31.12 ? 142 VAL H CA 1 ATOM 5024 C C . VAL C 3 152 ? 10.498 47.566 -1.478 1.00 30.36 ? 142 VAL H C 1 ATOM 5025 O O . VAL C 3 152 ? 10.209 46.958 -0.445 1.00 30.33 ? 142 VAL H O 1 ATOM 5026 C CB . VAL C 3 152 ? 10.281 49.830 -0.380 1.00 33.82 ? 142 VAL H CB 1 ATOM 5027 C CG1 . VAL C 3 152 ? 11.742 49.884 -0.001 1.00 25.50 ? 142 VAL H CG1 1 ATOM 5028 C CG2 . VAL C 3 152 ? 9.740 51.238 -0.561 1.00 31.77 ? 142 VAL H CG2 1 ATOM 5029 N N . LYS C 3 153 ? 11.175 47.012 -2.478 1.00 31.37 ? 143 LYS H N 1 ATOM 5030 C CA . LYS C 3 153 ? 11.395 45.572 -2.547 1.00 35.12 ? 143 LYS H CA 1 ATOM 5031 C C . LYS C 3 153 ? 12.857 45.174 -2.373 1.00 39.03 ? 143 LYS H C 1 ATOM 5032 O O . LYS C 3 153 ? 13.762 45.885 -2.810 1.00 42.91 ? 143 LYS H O 1 ATOM 5033 C CB . LYS C 3 153 ? 10.861 45.028 -3.880 1.00 31.92 ? 143 LYS H CB 1 ATOM 5034 C CG . LYS C 3 153 ? 10.704 43.513 -3.925 1.00 43.99 ? 143 LYS H CG 1 ATOM 5035 C CD . LYS C 3 153 ? 10.337 43.028 -5.322 1.00 50.93 ? 143 LYS H CD 1 ATOM 5036 C CE . LYS C 3 153 ? 10.174 41.512 -5.355 1.00 43.57 ? 143 LYS H CE 1 ATOM 5037 N NZ . LYS C 3 153 ? 9.019 41.057 -4.528 1.00 37.61 ? 143 LYS H NZ 1 ATOM 5038 N N . ASP C 3 154 ? 13.065 44.032 -1.721 1.00 44.63 ? 144 ASP H N 1 ATOM 5039 C CA . ASP C 3 154 ? 14.373 43.387 -1.616 1.00 43.74 ? 144 ASP H CA 1 ATOM 5040 C C . ASP C 3 154 ? 15.465 44.263 -1.012 1.00 48.36 ? 144 ASP H C 1 ATOM 5041 O O . ASP C 3 154 ? 16.384 44.693 -1.708 1.00 55.59 ? 144 ASP H O 1 ATOM 5042 C CB . ASP C 3 154 ? 14.819 42.849 -2.979 1.00 45.46 ? 144 ASP H CB 1 ATOM 5043 C CG . ASP C 3 154 ? 13.818 41.884 -3.578 1.00 56.77 ? 144 ASP H CG 1 ATOM 5044 O OD1 . ASP C 3 154 ? 13.019 41.302 -2.814 1.00 54.29 ? 144 ASP H OD1 1 ATOM 5045 O OD2 . ASP C 3 154 ? 13.831 41.710 -4.816 1.00 65.88 ? 144 ASP H OD2 1 ATOM 5046 N N . TYR C 3 155 ? 15.358 44.521 0.287 1.00 47.62 ? 145 TYR H N 1 ATOM 5047 C CA . TYR C 3 155 ? 16.402 45.232 1.013 1.00 49.17 ? 145 TYR H CA 1 ATOM 5048 C C . TYR C 3 155 ? 16.728 44.493 2.304 1.00 52.39 ? 145 TYR H C 1 ATOM 5049 O O . TYR C 3 155 ? 15.967 43.629 2.739 1.00 50.61 ? 145 TYR H O 1 ATOM 5050 C CB . TYR C 3 155 ? 15.979 46.670 1.318 1.00 51.33 ? 145 TYR H CB 1 ATOM 5051 C CG . TYR C 3 155 ? 14.855 46.798 2.319 1.00 46.50 ? 145 TYR H CG 1 ATOM 5052 C CD1 . TYR C 3 155 ? 15.120 47.035 3.660 1.00 43.78 ? 145 TYR H CD1 1 ATOM 5053 C CD2 . TYR C 3 155 ? 13.529 46.690 1.922 1.00 49.73 ? 145 TYR H CD2 1 ATOM 5054 C CE1 . TYR C 3 155 ? 14.100 47.154 4.576 1.00 54.77 ? 145 TYR H CE1 1 ATOM 5055 C CE2 . TYR C 3 155 ? 12.501 46.808 2.834 1.00 46.22 ? 145 TYR H CE2 1 ATOM 5056 C CZ . TYR C 3 155 ? 12.793 47.041 4.161 1.00 53.05 ? 145 TYR H CZ 1 ATOM 5057 O OH . TYR C 3 155 ? 11.781 47.162 5.086 1.00 59.91 ? 145 TYR H OH 1 ATOM 5058 N N . PHE C 3 156 ? 17.856 44.841 2.915 1.00 55.71 ? 146 PHE H N 1 ATOM 5059 C CA . PHE C 3 156 ? 18.287 44.211 4.157 1.00 48.97 ? 146 PHE H CA 1 ATOM 5060 C C . PHE C 3 156 ? 19.409 45.027 4.783 1.00 57.61 ? 146 PHE H C 1 ATOM 5061 O O . PHE C 3 156 ? 20.332 45.448 4.087 1.00 66.74 ? 146 PHE H O 1 ATOM 5062 C CB . PHE C 3 156 ? 18.776 42.787 3.890 1.00 40.87 ? 146 PHE H CB 1 ATOM 5063 C CG . PHE C 3 156 ? 18.856 41.928 5.122 1.00 47.73 ? 146 PHE H CG 1 ATOM 5064 C CD1 . PHE C 3 156 ? 20.017 41.882 5.877 1.00 49.54 ? 146 PHE H CD1 1 ATOM 5065 C CD2 . PHE C 3 156 ? 17.775 41.158 5.520 1.00 50.86 ? 146 PHE H CD2 1 ATOM 5066 C CE1 . PHE C 3 156 ? 20.095 41.093 7.006 1.00 41.47 ? 146 PHE H CE1 1 ATOM 5067 C CE2 . PHE C 3 156 ? 17.848 40.365 6.650 1.00 46.67 ? 146 PHE H CE2 1 ATOM 5068 C CZ . PHE C 3 156 ? 19.010 40.334 7.393 1.00 41.40 ? 146 PHE H CZ 1 ATOM 5069 N N . PRO C 3 157 ? 19.329 45.261 6.101 1.00 58.71 ? 147 PRO H N 1 ATOM 5070 C CA . PRO C 3 157 ? 18.200 44.850 6.935 1.00 58.98 ? 147 PRO H CA 1 ATOM 5071 C C . PRO C 3 157 ? 17.291 46.036 7.215 1.00 65.82 ? 147 PRO H C 1 ATOM 5072 O O . PRO C 3 157 ? 17.406 47.074 6.562 1.00 70.38 ? 147 PRO H O 1 ATOM 5073 C CB . PRO C 3 157 ? 18.889 44.441 8.228 1.00 59.60 ? 147 PRO H CB 1 ATOM 5074 C CG . PRO C 3 157 ? 20.007 45.438 8.345 1.00 59.99 ? 147 PRO H CG 1 ATOM 5075 C CD . PRO C 3 157 ? 20.441 45.774 6.922 1.00 59.94 ? 147 PRO H CD 1 ATOM 5076 N N . GLU C 3 158 ? 16.398 45.877 8.185 1.00 59.55 ? 148 GLU H N 1 ATOM 5077 C CA . GLU C 3 158 ? 15.590 46.981 8.680 1.00 55.23 ? 148 GLU H CA 1 ATOM 5078 C C . GLU C 3 158 ? 16.512 48.014 9.329 1.00 58.42 ? 148 GLU H C 1 ATOM 5079 O O . GLU C 3 158 ? 17.617 47.675 9.750 1.00 64.94 ? 148 GLU H O 1 ATOM 5080 C CB . GLU C 3 158 ? 14.581 46.453 9.699 1.00 62.39 ? 148 GLU H CB 1 ATOM 5081 C CG . GLU C 3 158 ? 13.583 45.467 9.128 1.00 71.03 ? 148 GLU H CG 1 ATOM 5082 C CD . GLU C 3 158 ? 12.196 46.062 8.982 1.00 86.13 ? 148 GLU H CD 1 ATOM 5083 O OE1 . GLU C 3 158 ? 12.063 47.126 8.334 1.00 85.22 ? 148 GLU H OE1 1 ATOM 5084 O OE2 . GLU C 3 158 ? 11.240 45.468 9.529 1.00 88.87 ? 148 GLU H OE2 1 ATOM 5085 N N . PRO C 3 159 ? 16.068 49.279 9.423 1.00 57.38 ? 149 PRO H N 1 ATOM 5086 C CA . PRO C 3 159 ? 14.784 49.823 8.985 1.00 59.65 ? 149 PRO H CA 1 ATOM 5087 C C . PRO C 3 159 ? 14.891 50.527 7.643 1.00 63.07 ? 149 PRO H C 1 ATOM 5088 O O . PRO C 3 159 ? 15.977 50.669 7.084 1.00 70.66 ? 149 PRO H O 1 ATOM 5089 C CB . PRO C 3 159 ? 14.491 50.863 10.060 1.00 64.96 ? 149 PRO H CB 1 ATOM 5090 C CG . PRO C 3 159 ? 15.846 51.418 10.377 1.00 68.08 ? 149 PRO H CG 1 ATOM 5091 C CD . PRO C 3 159 ? 16.841 50.285 10.174 1.00 66.90 ? 149 PRO H CD 1 ATOM 5092 N N . VAL C 3 160 ? 13.748 50.970 7.140 1.00 51.05 ? 150 VAL H N 1 ATOM 5093 C CA . VAL C 3 160 ? 13.695 51.788 5.943 1.00 44.76 ? 150 VAL H CA 1 ATOM 5094 C C . VAL C 3 160 ? 12.655 52.873 6.173 1.00 55.58 ? 150 VAL H C 1 ATOM 5095 O O . VAL C 3 160 ? 11.576 52.607 6.706 1.00 62.60 ? 150 VAL H O 1 ATOM 5096 C CB . VAL C 3 160 ? 13.389 50.933 4.687 1.00 45.80 ? 150 VAL H CB 1 ATOM 5097 C CG1 . VAL C 3 160 ? 12.227 51.507 3.894 1.00 47.40 ? 150 VAL H CG1 1 ATOM 5098 C CG2 . VAL C 3 160 ? 14.632 50.815 3.817 1.00 51.72 ? 150 VAL H CG2 1 ATOM 5099 N N . THR C 3 161 ? 13.000 54.104 5.812 1.00 55.83 ? 151 THR H N 1 ATOM 5100 C CA . THR C 3 161 ? 12.126 55.237 6.075 1.00 53.68 ? 151 THR H CA 1 ATOM 5101 C C . THR C 3 161 ? 11.569 55.791 4.772 1.00 53.99 ? 151 THR H C 1 ATOM 5102 O O . THR C 3 161 ? 12.316 56.057 3.830 1.00 58.94 ? 151 THR H O 1 ATOM 5103 C CB . THR C 3 161 ? 12.868 56.359 6.826 1.00 64.66 ? 151 THR H CB 1 ATOM 5104 O OG1 . THR C 3 161 ? 13.088 57.466 5.943 1.00 84.06 ? 151 THR H OG1 1 ATOM 5105 C CG2 . THR C 3 161 ? 14.207 55.858 7.348 1.00 61.28 ? 151 THR H CG2 1 ATOM 5106 N N . VAL C 3 162 ? 10.253 55.960 4.723 1.00 52.10 ? 152 VAL H N 1 ATOM 5107 C CA . VAL C 3 162 ? 9.589 56.430 3.514 1.00 52.52 ? 152 VAL H CA 1 ATOM 5108 C C . VAL C 3 162 ? 8.806 57.715 3.750 1.00 59.87 ? 152 VAL H C 1 ATOM 5109 O O . VAL C 3 162 ? 7.923 57.769 4.608 1.00 61.77 ? 152 VAL H O 1 ATOM 5110 C CB . VAL C 3 162 ? 8.629 55.363 2.949 1.00 43.82 ? 152 VAL H CB 1 ATOM 5111 C CG1 . VAL C 3 162 ? 7.776 55.950 1.831 1.00 38.52 ? 152 VAL H CG1 1 ATOM 5112 C CG2 . VAL C 3 162 ? 9.406 54.152 2.459 1.00 39.43 ? 152 VAL H CG2 1 ATOM 5113 N N . SER C 3 163 ? 9.144 58.746 2.983 1.00 61.51 ? 153 SER H N 1 ATOM 5114 C CA . SER C 3 163 ? 8.393 59.993 2.997 1.00 67.68 ? 153 SER H CA 1 ATOM 5115 C C . SER C 3 163 ? 7.821 60.261 1.611 1.00 66.84 ? 153 SER H C 1 ATOM 5116 O O . SER C 3 163 ? 8.311 59.729 0.616 1.00 69.54 ? 153 SER H O 1 ATOM 5117 C CB . SER C 3 163 ? 9.285 61.158 3.424 1.00 74.69 ? 153 SER H CB 1 ATOM 5118 O OG . SER C 3 163 ? 10.304 61.401 2.469 1.00 75.21 ? 153 SER H OG 1 ATOM 5119 N N . TRP C 3 164 ? 6.780 61.083 1.551 1.00 67.53 ? 154 TRP H N 1 ATOM 5120 C CA . TRP C 3 164 ? 6.186 61.471 0.279 1.00 64.85 ? 154 TRP H CA 1 ATOM 5121 C C . TRP C 3 164 ? 6.356 62.964 0.030 1.00 63.62 ? 154 TRP H C 1 ATOM 5122 O O . TRP C 3 164 ? 5.973 63.789 0.862 1.00 69.85 ? 154 TRP H O 1 ATOM 5123 C CB . TRP C 3 164 ? 4.708 61.084 0.234 1.00 61.41 ? 154 TRP H CB 1 ATOM 5124 C CG . TRP C 3 164 ? 4.487 59.634 -0.048 1.00 63.44 ? 154 TRP H CG 1 ATOM 5125 C CD1 . TRP C 3 164 ? 4.332 58.634 0.866 1.00 64.40 ? 154 TRP H CD1 1 ATOM 5126 C CD2 . TRP C 3 164 ? 4.405 59.017 -1.337 1.00 69.03 ? 154 TRP H CD2 1 ATOM 5127 N NE1 . TRP C 3 164 ? 4.153 57.432 0.225 1.00 65.57 ? 154 TRP H NE1 1 ATOM 5128 C CE2 . TRP C 3 164 ? 4.196 57.640 -1.128 1.00 70.31 ? 154 TRP H CE2 1 ATOM 5129 C CE3 . TRP C 3 164 ? 4.488 59.496 -2.648 1.00 64.95 ? 154 TRP H CE3 1 ATOM 5130 C CZ2 . TRP C 3 164 ? 4.066 56.737 -2.181 1.00 69.17 ? 154 TRP H CZ2 1 ATOM 5131 C CZ3 . TRP C 3 164 ? 4.360 58.599 -3.691 1.00 58.98 ? 154 TRP H CZ3 1 ATOM 5132 C CH2 . TRP C 3 164 ? 4.150 57.235 -3.452 1.00 63.67 ? 154 TRP H CH2 1 ATOM 5133 N N . ASN C 3 165 ? 6.930 63.295 -1.124 1.00 45.45 ? 155 ASN H N 1 ATOM 5134 C CA . ASN C 3 165 ? 7.239 64.675 -1.488 1.00 40.04 ? 155 ASN H CA 1 ATOM 5135 C C . ASN C 3 165 ? 8.063 65.393 -0.423 1.00 45.57 ? 155 ASN H C 1 ATOM 5136 O O . ASN C 3 165 ? 7.771 66.532 -0.057 1.00 48.98 ? 155 ASN H O 1 ATOM 5137 C CB . ASN C 3 165 ? 5.963 65.454 -1.816 1.00 49.74 ? 155 ASN H CB 1 ATOM 5138 C CG . ASN C 3 165 ? 5.232 64.891 -3.022 1.00 50.46 ? 155 ASN H CG 1 ATOM 5139 O OD1 . ASN C 3 165 ? 5.841 64.276 -3.900 1.00 48.19 ? 155 ASN H OD1 1 ATOM 5140 N ND2 . ASN C 3 165 ? 3.921 65.100 -3.072 1.00 47.52 ? 155 ASN H ND2 1 ATOM 5141 N N . SER C 3 166 ? 9.085 64.700 0.074 1.00 57.40 ? 156 SER H N 1 ATOM 5142 C CA . SER C 3 166 ? 10.030 65.256 1.041 1.00 64.69 ? 156 SER H CA 1 ATOM 5143 C C . SER C 3 166 ? 9.360 65.770 2.316 1.00 74.54 ? 156 SER H C 1 ATOM 5144 O O . SER C 3 166 ? 9.859 66.692 2.964 1.00 79.27 ? 156 SER H O 1 ATOM 5145 C CB . SER C 3 166 ? 10.884 66.351 0.393 1.00 59.33 ? 156 SER H CB 1 ATOM 5146 O OG . SER C 3 166 ? 11.612 65.839 -0.710 1.00 53.66 ? 156 SER H OG 1 ATOM 5147 N N . GLY C 3 167 ? 8.229 65.167 2.669 1.00 72.34 ? 157 GLY H N 1 ATOM 5148 C CA . GLY C 3 167 ? 7.536 65.503 3.899 1.00 69.32 ? 157 GLY H CA 1 ATOM 5149 C C . GLY C 3 167 ? 6.360 66.440 3.705 1.00 61.84 ? 157 GLY H C 1 ATOM 5150 O O . GLY C 3 167 ? 5.633 66.738 4.654 1.00 59.12 ? 157 GLY H O 1 ATOM 5151 N N . ALA C 3 168 ? 6.171 66.906 2.475 1.00 61.78 ? 158 ALA H N 1 ATOM 5152 C CA . ALA C 3 168 ? 5.070 67.813 2.163 1.00 67.48 ? 158 ALA H CA 1 ATOM 5153 C C . ALA C 3 168 ? 3.723 67.095 2.202 1.00 72.99 ? 158 ALA H C 1 ATOM 5154 O O . ALA C 3 168 ? 2.684 67.719 2.415 1.00 74.77 ? 158 ALA H O 1 ATOM 5155 C CB . ALA C 3 168 ? 5.285 68.463 0.803 1.00 62.77 ? 158 ALA H CB 1 ATOM 5156 N N . LEU C 3 169 ? 3.748 65.783 1.996 1.00 72.41 ? 159 LEU H N 1 ATOM 5157 C CA . LEU C 3 169 ? 2.525 64.991 1.983 1.00 67.00 ? 159 LEU H CA 1 ATOM 5158 C C . LEU C 3 169 ? 2.431 64.105 3.221 1.00 69.94 ? 159 LEU H C 1 ATOM 5159 O O . LEU C 3 169 ? 3.271 63.234 3.443 1.00 62.00 ? 159 LEU H O 1 ATOM 5160 C CB . LEU C 3 169 ? 2.451 64.142 0.713 1.00 60.34 ? 159 LEU H CB 1 ATOM 5161 C CG . LEU C 3 169 ? 1.120 63.444 0.429 1.00 52.81 ? 159 LEU H CG 1 ATOM 5162 C CD1 . LEU C 3 169 ? -0.035 64.424 0.547 1.00 51.40 ? 159 LEU H CD1 1 ATOM 5163 C CD2 . LEU C 3 169 ? 1.149 62.819 -0.954 1.00 47.43 ? 159 LEU H CD2 1 ATOM 5164 N N . THR C 3 170 ? 1.400 64.339 4.024 1.00 76.05 ? 160 THR H N 1 ATOM 5165 C CA . THR C 3 170 ? 1.223 63.618 5.275 1.00 73.35 ? 160 THR H CA 1 ATOM 5166 C C . THR C 3 170 ? -0.088 62.845 5.269 1.00 70.50 ? 160 THR H C 1 ATOM 5167 O O . THR C 3 170 ? -0.118 61.646 5.554 1.00 69.31 ? 160 THR H O 1 ATOM 5168 C CB . THR C 3 170 ? 1.217 64.582 6.470 1.00 85.59 ? 160 THR H CB 1 ATOM 5169 O OG1 . THR C 3 170 ? 2.468 65.278 6.534 1.00 88.40 ? 160 THR H OG1 1 ATOM 5170 C CG2 . THR C 3 170 ? 0.989 63.825 7.773 1.00 90.19 ? 160 THR H CG2 1 ATOM 5171 N N . SER C 3 171 ? -1.168 63.547 4.942 1.00 68.05 ? 161 SER H N 1 ATOM 5172 C CA . SER C 3 171 ? -2.505 62.972 4.955 1.00 70.61 ? 161 SER H CA 1 ATOM 5173 C C . SER C 3 171 ? -2.682 61.849 3.941 1.00 71.80 ? 161 SER H C 1 ATOM 5174 O O . SER C 3 171 ? -2.255 61.961 2.792 1.00 76.84 ? 161 SER H O 1 ATOM 5175 C CB . SER C 3 171 ? -3.546 64.062 4.697 1.00 81.75 ? 161 SER H CB 1 ATOM 5176 O OG . SER C 3 171 ? -4.732 63.504 4.157 1.00 90.86 ? 161 SER H OG 1 ATOM 5177 N N . GLY C 3 172 ? -3.321 60.768 4.378 1.00 68.23 ? 162 GLY H N 1 ATOM 5178 C CA . GLY C 3 172 ? -3.667 59.667 3.497 1.00 68.21 ? 162 GLY H CA 1 ATOM 5179 C C . GLY C 3 172 ? -2.559 58.649 3.310 1.00 65.53 ? 162 GLY H C 1 ATOM 5180 O O . GLY C 3 172 ? -2.739 57.646 2.619 1.00 61.86 ? 162 GLY H O 1 ATOM 5181 N N . VAL C 3 173 ? -1.411 58.898 3.929 1.00 65.01 ? 163 VAL H N 1 ATOM 5182 C CA . VAL C 3 173 ? -0.256 58.026 3.755 1.00 64.49 ? 163 VAL H CA 1 ATOM 5183 C C . VAL C 3 173 ? -0.282 56.835 4.707 1.00 65.00 ? 163 VAL H C 1 ATOM 5184 O O . VAL C 3 173 ? -0.390 56.997 5.922 1.00 68.99 ? 163 VAL H O 1 ATOM 5185 C CB . VAL C 3 173 ? 1.067 58.799 3.921 1.00 60.36 ? 163 VAL H CB 1 ATOM 5186 C CG1 . VAL C 3 173 ? 2.254 57.859 3.765 1.00 55.23 ? 163 VAL H CG1 1 ATOM 5187 C CG2 . VAL C 3 173 ? 1.145 59.933 2.912 1.00 59.95 ? 163 VAL H CG2 1 ATOM 5188 N N . HIS C 3 174 ? -0.195 55.637 4.138 1.00 67.54 ? 164 HIS H N 1 ATOM 5189 C CA . HIS C 3 174 ? -0.113 54.411 4.921 1.00 73.49 ? 164 HIS H CA 1 ATOM 5190 C C . HIS C 3 174 ? 1.101 53.588 4.515 1.00 66.04 ? 164 HIS H C 1 ATOM 5191 O O . HIS C 3 174 ? 1.057 52.842 3.536 1.00 62.11 ? 164 HIS H O 1 ATOM 5192 C CB . HIS C 3 174 ? -1.378 53.568 4.747 1.00 76.29 ? 164 HIS H CB 1 ATOM 5193 C CG . HIS C 3 174 ? -2.568 54.103 5.483 1.00 77.73 ? 164 HIS H CG 1 ATOM 5194 N ND1 . HIS C 3 174 ? -3.853 53.988 4.997 1.00 80.75 ? 164 HIS H ND1 1 ATOM 5195 C CD2 . HIS C 3 174 ? -2.669 54.745 6.668 1.00 83.13 ? 164 HIS H CD2 1 ATOM 5196 C CE1 . HIS C 3 174 ? -4.696 54.545 5.851 1.00 90.30 ? 164 HIS H CE1 1 ATOM 5197 N NE2 . HIS C 3 174 ? -3.998 55.012 6.876 1.00 92.10 ? 164 HIS H NE2 1 ATOM 5198 N N . THR C 3 175 ? 2.182 53.726 5.273 1.00 58.46 ? 165 THR H N 1 ATOM 5199 C CA . THR C 3 175 ? 3.360 52.898 5.066 1.00 56.86 ? 165 THR H CA 1 ATOM 5200 C C . THR C 3 175 ? 3.230 51.613 5.874 1.00 54.25 ? 165 THR H C 1 ATOM 5201 O O . THR C 3 175 ? 3.153 51.645 7.102 1.00 62.21 ? 165 THR H O 1 ATOM 5202 C CB . THR C 3 175 ? 4.651 53.631 5.468 1.00 61.34 ? 165 THR H CB 1 ATOM 5203 O OG1 . THR C 3 175 ? 4.751 54.866 4.746 1.00 33.62 ? 165 THR H OG1 1 ATOM 5204 C CG2 . THR C 3 175 ? 5.866 52.766 5.160 1.00 32.27 ? 165 THR H CG2 1 ATOM 5205 N N . PHE C 3 176 ? 3.206 50.485 5.174 1.00 44.36 ? 166 PHE H N 1 ATOM 5206 C CA . PHE C 3 176 ? 2.955 49.185 5.791 1.00 39.27 ? 166 PHE H CA 1 ATOM 5207 C C . PHE C 3 176 ? 4.162 48.614 6.531 1.00 49.02 ? 166 PHE H C 1 ATOM 5208 O O . PHE C 3 176 ? 5.304 48.921 6.194 1.00 50.94 ? 166 PHE H O 1 ATOM 5209 C CB . PHE C 3 176 ? 2.496 48.189 4.725 1.00 32.64 ? 166 PHE H CB 1 ATOM 5210 C CG . PHE C 3 176 ? 1.112 48.447 4.216 1.00 42.86 ? 166 PHE H CG 1 ATOM 5211 C CD1 . PHE C 3 176 ? 0.905 49.223 3.089 1.00 52.46 ? 166 PHE H CD1 1 ATOM 5212 C CD2 . PHE C 3 176 ? 0.016 47.919 4.869 1.00 54.07 ? 166 PHE H CD2 1 ATOM 5213 C CE1 . PHE C 3 176 ? -0.373 49.463 2.622 1.00 51.66 ? 166 PHE H CE1 1 ATOM 5214 C CE2 . PHE C 3 176 ? -1.262 48.154 4.409 1.00 54.81 ? 166 PHE H CE2 1 ATOM 5215 C CZ . PHE C 3 176 ? -1.458 48.926 3.285 1.00 49.55 ? 166 PHE H CZ 1 ATOM 5216 N N . PRO C 3 177 ? 3.906 47.782 7.554 1.00 57.67 ? 167 PRO H N 1 ATOM 5217 C CA . PRO C 3 177 ? 4.967 46.993 8.186 1.00 55.26 ? 167 PRO H CA 1 ATOM 5218 C C . PRO C 3 177 ? 5.643 46.105 7.150 1.00 52.51 ? 167 PRO H C 1 ATOM 5219 O O . PRO C 3 177 ? 4.961 45.522 6.308 1.00 55.89 ? 167 PRO H O 1 ATOM 5220 C CB . PRO C 3 177 ? 4.202 46.126 9.186 1.00 61.76 ? 167 PRO H CB 1 ATOM 5221 C CG . PRO C 3 177 ? 2.988 46.912 9.511 1.00 68.76 ? 167 PRO H CG 1 ATOM 5222 C CD . PRO C 3 177 ? 2.613 47.618 8.240 1.00 68.45 ? 167 PRO H CD 1 ATOM 5223 N N . ALA C 3 178 ? 6.966 46.009 7.208 1.00 49.91 ? 168 ALA H N 1 ATOM 5224 C CA . ALA C 3 178 ? 7.710 45.203 6.248 1.00 49.76 ? 168 ALA H CA 1 ATOM 5225 C C . ALA C 3 178 ? 7.533 43.718 6.530 1.00 54.80 ? 168 ALA H C 1 ATOM 5226 O O . ALA C 3 178 ? 7.213 43.327 7.652 1.00 66.21 ? 168 ALA H O 1 ATOM 5227 C CB . ALA C 3 178 ? 9.180 45.571 6.272 1.00 48.34 ? 168 ALA H CB 1 ATOM 5228 N N . VAL C 3 179 ? 7.738 42.893 5.509 1.00 53.87 ? 169 VAL H N 1 ATOM 5229 C CA . VAL C 3 179 ? 7.681 41.449 5.690 1.00 56.53 ? 169 VAL H CA 1 ATOM 5230 C C . VAL C 3 179 ? 9.001 40.809 5.266 1.00 53.91 ? 169 VAL H C 1 ATOM 5231 O O . VAL C 3 179 ? 9.709 41.334 4.407 1.00 58.80 ? 169 VAL H O 1 ATOM 5232 C CB . VAL C 3 179 ? 6.494 40.811 4.919 1.00 43.01 ? 169 VAL H CB 1 ATOM 5233 C CG1 . VAL C 3 179 ? 5.373 41.823 4.733 1.00 44.02 ? 169 VAL H CG1 1 ATOM 5234 C CG2 . VAL C 3 179 ? 6.940 40.269 3.571 1.00 45.91 ? 169 VAL H CG2 1 ATOM 5235 N N . LEU C 3 180 ? 9.342 39.689 5.895 1.00 41.71 ? 170 LEU H N 1 ATOM 5236 C CA . LEU C 3 180 ? 10.504 38.917 5.485 1.00 45.68 ? 170 LEU H CA 1 ATOM 5237 C C . LEU C 3 180 ? 10.051 37.927 4.423 1.00 48.83 ? 170 LEU H C 1 ATOM 5238 O O . LEU C 3 180 ? 9.029 37.261 4.586 1.00 55.16 ? 170 LEU H O 1 ATOM 5239 C CB . LEU C 3 180 ? 11.111 38.171 6.674 1.00 47.92 ? 170 LEU H CB 1 ATOM 5240 C CG . LEU C 3 180 ? 12.495 37.557 6.450 1.00 48.50 ? 170 LEU H CG 1 ATOM 5241 C CD1 . LEU C 3 180 ? 13.572 38.631 6.537 1.00 54.50 ? 170 LEU H CD1 1 ATOM 5242 C CD2 . LEU C 3 180 ? 12.767 36.424 7.435 1.00 50.79 ? 170 LEU H CD2 1 ATOM 5243 N N . GLN C 3 181 ? 10.803 37.834 3.333 1.00 45.64 ? 171 GLN H N 1 ATOM 5244 C CA . GLN C 3 181 ? 10.419 36.959 2.234 1.00 53.61 ? 171 GLN H CA 1 ATOM 5245 C C . GLN C 3 181 ? 11.153 35.624 2.278 1.00 66.75 ? 171 GLN H C 1 ATOM 5246 O O . GLN C 3 181 ? 11.942 35.364 3.189 1.00 76.33 ? 171 GLN H O 1 ATOM 5247 C CB . GLN C 3 181 ? 10.655 37.653 0.892 1.00 51.95 ? 171 GLN H CB 1 ATOM 5248 C CG . GLN C 3 181 ? 9.776 38.872 0.672 1.00 58.16 ? 171 GLN H CG 1 ATOM 5249 C CD . GLN C 3 181 ? 10.029 39.545 -0.666 1.00 69.57 ? 171 GLN H CD 1 ATOM 5250 O OE1 . GLN C 3 181 ? 9.161 40.237 -1.198 1.00 76.12 ? 171 GLN H OE1 1 ATOM 5251 N NE2 . GLN C 3 181 ? 11.224 39.350 -1.212 1.00 70.34 ? 171 GLN H NE2 1 ATOM 5252 N N . SER C 3 182 ? 10.878 34.782 1.287 1.00 64.14 ? 172 SER H N 1 ATOM 5253 C CA . SER C 3 182 ? 11.545 33.496 1.158 1.00 67.00 ? 172 SER H CA 1 ATOM 5254 C C . SER C 3 182 ? 13.021 33.703 0.850 1.00 66.13 ? 172 SER H C 1 ATOM 5255 O O . SER C 3 182 ? 13.859 32.863 1.171 1.00 69.89 ? 172 SER H O 1 ATOM 5256 C CB . SER C 3 182 ? 10.895 32.670 0.049 1.00 76.20 ? 172 SER H CB 1 ATOM 5257 O OG . SER C 3 182 ? 9.494 32.587 0.231 1.00 83.98 ? 172 SER H OG 1 ATOM 5258 N N . SER C 3 183 ? 13.331 34.832 0.223 1.00 60.67 ? 173 SER H N 1 ATOM 5259 C CA . SER C 3 183 ? 14.707 35.176 -0.109 1.00 57.43 ? 173 SER H CA 1 ATOM 5260 C C . SER C 3 183 ? 15.497 35.614 1.122 1.00 55.87 ? 173 SER H C 1 ATOM 5261 O O . SER C 3 183 ? 16.715 35.773 1.062 1.00 64.52 ? 173 SER H O 1 ATOM 5262 C CB . SER C 3 183 ? 14.734 36.273 -1.177 1.00 66.65 ? 173 SER H CB 1 ATOM 5263 O OG . SER C 3 183 ? 13.514 36.997 -1.199 1.00 72.22 ? 173 SER H OG 1 ATOM 5264 N N . GLY C 3 184 ? 14.801 35.796 2.240 1.00 61.12 ? 174 GLY H N 1 ATOM 5265 C CA . GLY C 3 184 ? 15.411 36.341 3.439 1.00 60.90 ? 174 GLY H CA 1 ATOM 5266 C C . GLY C 3 184 ? 15.605 37.837 3.283 1.00 55.91 ? 174 GLY H C 1 ATOM 5267 O O . GLY C 3 184 ? 16.459 38.444 3.927 1.00 58.83 ? 174 GLY H O 1 ATOM 5268 N N . LEU C 3 185 ? 14.798 38.427 2.410 1.00 44.77 ? 175 LEU H N 1 ATOM 5269 C CA . LEU C 3 185 ? 14.905 39.839 2.079 1.00 43.57 ? 175 LEU H CA 1 ATOM 5270 C C . LEU C 3 185 ? 13.609 40.562 2.415 1.00 52.71 ? 175 LEU H C 1 ATOM 5271 O O . LEU C 3 185 ? 12.520 40.059 2.140 1.00 62.07 ? 175 LEU H O 1 ATOM 5272 C CB . LEU C 3 185 ? 15.220 40.001 0.591 1.00 47.31 ? 175 LEU H CB 1 ATOM 5273 C CG . LEU C 3 185 ? 16.580 40.603 0.238 1.00 38.62 ? 175 LEU H CG 1 ATOM 5274 C CD1 . LEU C 3 185 ? 17.661 39.999 1.103 1.00 30.93 ? 175 LEU H CD1 1 ATOM 5275 C CD2 . LEU C 3 185 ? 16.886 40.377 -1.230 1.00 32.04 ? 175 LEU H CD2 1 ATOM 5276 N N . TYR C 3 186 ? 13.723 41.742 3.012 1.00 58.59 ? 176 TYR H N 1 ATOM 5277 C CA . TYR C 3 186 ? 12.541 42.501 3.399 1.00 61.89 ? 176 TYR H CA 1 ATOM 5278 C C . TYR C 3 186 ? 11.877 43.152 2.190 1.00 61.20 ? 176 TYR H C 1 ATOM 5279 O O . TYR C 3 186 ? 12.521 43.381 1.167 1.00 68.21 ? 176 TYR H O 1 ATOM 5280 C CB . TYR C 3 186 ? 12.888 43.570 4.437 1.00 61.73 ? 176 TYR H CB 1 ATOM 5281 C CG . TYR C 3 186 ? 13.284 43.031 5.794 1.00 55.16 ? 176 TYR H CG 1 ATOM 5282 C CD1 . TYR C 3 186 ? 12.326 42.741 6.755 1.00 51.26 ? 176 TYR H CD1 1 ATOM 5283 C CD2 . TYR C 3 186 ? 14.618 42.832 6.118 1.00 62.18 ? 176 TYR H CD2 1 ATOM 5284 C CE1 . TYR C 3 186 ? 12.686 42.257 7.999 1.00 59.34 ? 176 TYR H CE1 1 ATOM 5285 C CE2 . TYR C 3 186 ? 14.989 42.349 7.357 1.00 66.98 ? 176 TYR H CE2 1 ATOM 5286 C CZ . TYR C 3 186 ? 14.020 42.064 8.294 1.00 65.39 ? 176 TYR H CZ 1 ATOM 5287 O OH . TYR C 3 186 ? 14.388 41.583 9.528 1.00 66.80 ? 176 TYR H OH 1 ATOM 5288 N N . SER C 3 187 ? 10.586 43.443 2.320 1.00 52.72 ? 177 SER H N 1 ATOM 5289 C CA . SER C 3 187 ? 9.838 44.159 1.291 1.00 52.65 ? 177 SER H CA 1 ATOM 5290 C C . SER C 3 187 ? 8.582 44.779 1.891 1.00 52.08 ? 177 SER H C 1 ATOM 5291 O O . SER C 3 187 ? 7.922 44.167 2.733 1.00 57.61 ? 177 SER H O 1 ATOM 5292 C CB . SER C 3 187 ? 9.454 43.223 0.142 1.00 65.77 ? 177 SER H CB 1 ATOM 5293 O OG . SER C 3 187 ? 10.599 42.701 -0.510 1.00 78.06 ? 177 SER H OG 1 ATOM 5294 N N . LEU C 3 188 ? 8.254 45.994 1.459 1.00 47.29 ? 178 LEU H N 1 ATOM 5295 C CA . LEU C 3 188 ? 7.062 46.684 1.949 1.00 43.00 ? 178 LEU H CA 1 ATOM 5296 C C . LEU C 3 188 ? 6.487 47.644 0.914 1.00 42.48 ? 178 LEU H C 1 ATOM 5297 O O . LEU C 3 188 ? 7.088 47.878 -0.134 1.00 52.82 ? 178 LEU H O 1 ATOM 5298 C CB . LEU C 3 188 ? 7.363 47.436 3.251 1.00 45.72 ? 178 LEU H CB 1 ATOM 5299 C CG . LEU C 3 188 ? 8.194 48.720 3.183 1.00 47.44 ? 178 LEU H CG 1 ATOM 5300 C CD1 . LEU C 3 188 ? 7.317 49.967 3.152 1.00 53.47 ? 178 LEU H CD1 1 ATOM 5301 C CD2 . LEU C 3 188 ? 9.150 48.781 4.355 1.00 47.83 ? 178 LEU H CD2 1 ATOM 5302 N N . SER C 3 189 ? 5.319 48.201 1.220 1.00 45.34 ? 179 SER H N 1 ATOM 5303 C CA . SER C 3 189 ? 4.673 49.164 0.338 1.00 49.81 ? 179 SER H CA 1 ATOM 5304 C C . SER C 3 189 ? 4.205 50.392 1.110 1.00 48.88 ? 179 SER H C 1 ATOM 5305 O O . SER C 3 189 ? 3.792 50.292 2.265 1.00 51.97 ? 179 SER H O 1 ATOM 5306 C CB . SER C 3 189 ? 3.477 48.520 -0.363 1.00 52.34 ? 179 SER H CB 1 ATOM 5307 O OG . SER C 3 189 ? 3.765 47.186 -0.741 1.00 62.48 ? 179 SER H OG 1 ATOM 5308 N N . SER C 3 190 ? 4.276 51.552 0.466 1.00 41.38 ? 180 SER H N 1 ATOM 5309 C CA . SER C 3 190 ? 3.719 52.779 1.024 1.00 42.35 ? 180 SER H CA 1 ATOM 5310 C C . SER C 3 190 ? 2.657 53.295 0.069 1.00 45.20 ? 180 SER H C 1 ATOM 5311 O O . SER C 3 190 ? 2.853 53.283 -1.141 1.00 56.99 ? 180 SER H O 1 ATOM 5312 C CB . SER C 3 190 ? 4.807 53.831 1.217 1.00 46.48 ? 180 SER H CB 1 ATOM 5313 O OG . SER C 3 190 ? 4.267 55.028 1.743 1.00 45.31 ? 180 SER H OG 1 ATOM 5314 N N . VAL C 3 191 ? 1.536 53.750 0.611 1.00 43.12 ? 181 VAL H N 1 ATOM 5315 C CA . VAL C 3 191 ? 0.382 54.088 -0.211 1.00 45.17 ? 181 VAL H CA 1 ATOM 5316 C C . VAL C 3 191 ? -0.219 55.433 0.189 1.00 50.51 ? 181 VAL H C 1 ATOM 5317 O O . VAL C 3 191 ? -0.349 55.730 1.376 1.00 58.82 ? 181 VAL H O 1 ATOM 5318 C CB . VAL C 3 191 ? -0.689 52.976 -0.121 1.00 51.29 ? 181 VAL H CB 1 ATOM 5319 C CG1 . VAL C 3 191 ? -2.074 53.518 -0.432 1.00 58.30 ? 181 VAL H CG1 1 ATOM 5320 C CG2 . VAL C 3 191 ? -0.332 51.817 -1.042 1.00 45.81 ? 181 VAL H CG2 1 ATOM 5321 N N . VAL C 3 192 ? -0.564 56.252 -0.802 1.00 34.29 ? 182 VAL H N 1 ATOM 5322 C CA . VAL C 3 192 ? -1.264 57.506 -0.545 1.00 47.73 ? 182 VAL H CA 1 ATOM 5323 C C . VAL C 3 192 ? -2.624 57.507 -1.230 1.00 49.85 ? 182 VAL H C 1 ATOM 5324 O O . VAL C 3 192 ? -2.801 56.883 -2.276 1.00 55.42 ? 182 VAL H O 1 ATOM 5325 C CB . VAL C 3 192 ? -0.473 58.726 -1.062 1.00 47.35 ? 182 VAL H CB 1 ATOM 5326 C CG1 . VAL C 3 192 ? -0.971 60.005 -0.400 1.00 50.94 ? 182 VAL H CG1 1 ATOM 5327 C CG2 . VAL C 3 192 ? 1.003 58.550 -0.807 1.00 47.78 ? 182 VAL H CG2 1 ATOM 5328 N N . THR C 3 193 ? -3.583 58.206 -0.632 1.00 46.49 ? 183 THR H N 1 ATOM 5329 C CA . THR C 3 193 ? -4.838 58.505 -1.300 1.00 53.93 ? 183 THR H CA 1 ATOM 5330 C C . THR C 3 193 ? -4.864 59.998 -1.595 1.00 63.33 ? 183 THR H C 1 ATOM 5331 O O . THR C 3 193 ? -4.679 60.820 -0.699 1.00 74.35 ? 183 THR H O 1 ATOM 5332 C CB . THR C 3 193 ? -6.048 58.140 -0.430 1.00 61.03 ? 183 THR H CB 1 ATOM 5333 O OG1 . THR C 3 193 ? -6.147 59.056 0.669 1.00 75.81 ? 183 THR H OG1 1 ATOM 5334 C CG2 . THR C 3 193 ? -5.901 56.728 0.101 1.00 54.25 ? 183 THR H CG2 1 ATOM 5335 N N . VAL C 3 194 ? -5.077 60.345 -2.859 1.00 65.26 ? 184 VAL H N 1 ATOM 5336 C CA . VAL C 3 194 ? -5.057 61.738 -3.284 1.00 68.31 ? 184 VAL H CA 1 ATOM 5337 C C . VAL C 3 194 ? -6.331 62.079 -4.053 1.00 72.00 ? 184 VAL H C 1 ATOM 5338 O O . VAL C 3 194 ? -7.056 61.176 -4.478 1.00 67.41 ? 184 VAL H O 1 ATOM 5339 C CB . VAL C 3 194 ? -3.831 62.024 -4.172 1.00 71.14 ? 184 VAL H CB 1 ATOM 5340 C CG1 . VAL C 3 194 ? -2.546 61.639 -3.454 1.00 72.00 ? 184 VAL H CG1 1 ATOM 5341 C CG2 . VAL C 3 194 ? -3.952 61.283 -5.495 1.00 71.76 ? 184 VAL H CG2 1 ATOM 5342 N N . PRO C 3 195 ? -6.623 63.382 -4.217 1.00 73.92 ? 185 PRO H N 1 ATOM 5343 C CA . PRO C 3 195 ? -7.703 63.767 -5.132 1.00 80.80 ? 185 PRO H CA 1 ATOM 5344 C C . PRO C 3 195 ? -7.440 63.237 -6.538 1.00 89.84 ? 185 PRO H C 1 ATOM 5345 O O . PRO C 3 195 ? -6.320 63.355 -7.036 1.00 88.63 ? 185 PRO H O 1 ATOM 5346 C CB . PRO C 3 195 ? -7.630 65.293 -5.129 1.00 71.70 ? 185 PRO H CB 1 ATOM 5347 C CG . PRO C 3 195 ? -7.083 65.635 -3.796 1.00 68.97 ? 185 PRO H CG 1 ATOM 5348 C CD . PRO C 3 195 ? -6.112 64.534 -3.451 1.00 67.54 ? 185 PRO H CD 1 ATOM 5349 N N . SER C 3 196 ? -8.463 62.664 -7.163 1.00 101.93 ? 186 SER H N 1 ATOM 5350 C CA . SER C 3 196 ? -8.324 62.063 -8.485 1.00 98.56 ? 186 SER H CA 1 ATOM 5351 C C . SER C 3 196 ? -7.897 63.078 -9.546 1.00 92.56 ? 186 SER H C 1 ATOM 5352 O O . SER C 3 196 ? -7.327 62.713 -10.574 1.00 90.04 ? 186 SER H O 1 ATOM 5353 C CB . SER C 3 196 ? -9.636 61.395 -8.904 1.00 102.30 ? 186 SER H CB 1 ATOM 5354 O OG . SER C 3 196 ? -9.460 60.610 -10.073 1.00 107.33 ? 186 SER H OG 1 ATOM 5355 N N . SER C 3 197 ? -8.169 64.352 -9.282 1.00 78.32 ? 187 SER H N 1 ATOM 5356 C CA . SER C 3 197 ? -7.931 65.415 -10.252 1.00 64.03 ? 187 SER H CA 1 ATOM 5357 C C . SER C 3 197 ? -6.515 65.978 -10.181 1.00 68.44 ? 187 SER H C 1 ATOM 5358 O O . SER C 3 197 ? -6.112 66.775 -11.030 1.00 72.39 ? 187 SER H O 1 ATOM 5359 C CB . SER C 3 197 ? -8.938 66.545 -10.042 1.00 54.24 ? 187 SER H CB 1 ATOM 5360 O OG . SER C 3 197 ? -8.890 67.020 -8.707 1.00 48.27 ? 187 SER H OG 1 ATOM 5361 N N . SER C 3 198 ? -5.764 65.562 -9.168 1.00 62.01 ? 188 SER H N 1 ATOM 5362 C CA . SER C 3 198 ? -4.426 66.099 -8.946 1.00 59.38 ? 188 SER H CA 1 ATOM 5363 C C . SER C 3 198 ? -3.375 65.394 -9.799 1.00 61.93 ? 188 SER H C 1 ATOM 5364 O O . SER C 3 198 ? -2.224 65.827 -9.862 1.00 65.50 ? 188 SER H O 1 ATOM 5365 C CB . SER C 3 198 ? -4.055 66.025 -7.463 1.00 61.44 ? 188 SER H CB 1 ATOM 5366 O OG . SER C 3 198 ? -4.142 64.697 -6.981 1.00 70.29 ? 188 SER H OG 1 ATOM 5367 N N . LEU C 3 199 ? -3.780 64.309 -10.455 1.00 61.96 ? 189 LEU H N 1 ATOM 5368 C CA . LEU C 3 199 ? -2.904 63.594 -11.377 1.00 64.66 ? 189 LEU H CA 1 ATOM 5369 C C . LEU C 3 199 ? -2.815 64.361 -12.688 1.00 83.11 ? 189 LEU H C 1 ATOM 5370 O O . LEU C 3 199 ? -3.820 64.542 -13.378 1.00 95.38 ? 189 LEU H O 1 ATOM 5371 C CB . LEU C 3 199 ? -3.440 62.189 -11.650 1.00 53.78 ? 189 LEU H CB 1 ATOM 5372 C CG . LEU C 3 199 ? -3.828 61.331 -10.447 1.00 46.87 ? 189 LEU H CG 1 ATOM 5373 C CD1 . LEU C 3 199 ? -4.374 59.989 -10.909 1.00 40.58 ? 189 LEU H CD1 1 ATOM 5374 C CD2 . LEU C 3 199 ? -2.640 61.141 -9.523 1.00 41.64 ? 189 LEU H CD2 1 ATOM 5375 N N . GLY C 3 200 ? -1.613 64.806 -13.035 1.00 85.34 ? 190 GLY H N 1 ATOM 5376 C CA . GLY C 3 200 ? -1.422 65.604 -14.231 1.00 88.34 ? 190 GLY H CA 1 ATOM 5377 C C . GLY C 3 200 ? -1.029 67.020 -13.866 1.00 87.80 ? 190 GLY H C 1 ATOM 5378 O O . GLY C 3 200 ? -0.525 67.776 -14.696 1.00 91.14 ? 190 GLY H O 1 ATOM 5379 N N . THR C 3 201 ? -1.268 67.372 -12.608 1.00 79.62 ? 191 THR H N 1 ATOM 5380 C CA . THR C 3 201 ? -0.864 68.664 -12.076 1.00 75.26 ? 191 THR H CA 1 ATOM 5381 C C . THR C 3 201 ? 0.167 68.474 -10.968 1.00 72.82 ? 191 THR H C 1 ATOM 5382 O O . THR C 3 201 ? 1.263 69.029 -11.026 1.00 73.61 ? 191 THR H O 1 ATOM 5383 C CB . THR C 3 201 ? -2.068 69.450 -11.524 1.00 78.51 ? 191 THR H CB 1 ATOM 5384 O OG1 . THR C 3 201 ? -2.707 68.689 -10.490 1.00 91.21 ? 191 THR H OG1 1 ATOM 5385 C CG2 . THR C 3 201 ? -3.072 69.732 -12.629 1.00 72.45 ? 191 THR H CG2 1 ATOM 5386 N N . GLN C 3 202 ? -0.190 67.682 -9.963 1.00 70.49 ? 192 GLN H N 1 ATOM 5387 C CA . GLN C 3 202 ? 0.691 67.448 -8.825 1.00 73.77 ? 192 GLN H CA 1 ATOM 5388 C C . GLN C 3 202 ? 1.601 66.244 -9.054 1.00 72.27 ? 192 GLN H C 1 ATOM 5389 O O . GLN C 3 202 ? 1.130 65.140 -9.326 1.00 71.76 ? 192 GLN H O 1 ATOM 5390 C CB . GLN C 3 202 ? -0.129 67.259 -7.546 1.00 75.64 ? 192 GLN H CB 1 ATOM 5391 C CG . GLN C 3 202 ? 0.711 67.096 -6.290 1.00 72.25 ? 192 GLN H CG 1 ATOM 5392 C CD . GLN C 3 202 ? 1.695 68.233 -6.093 1.00 68.49 ? 192 GLN H CD 1 ATOM 5393 O OE1 . GLN C 3 202 ? 2.889 68.087 -6.354 1.00 69.60 ? 192 GLN H OE1 1 ATOM 5394 N NE2 . GLN C 3 202 ? 1.198 69.374 -5.628 1.00 62.05 ? 192 GLN H NE2 1 ATOM 5395 N N . THR C 3 203 ? 2.907 66.466 -8.942 1.00 77.92 ? 193 THR H N 1 ATOM 5396 C CA . THR C 3 203 ? 3.882 65.392 -9.097 1.00 81.44 ? 193 THR H CA 1 ATOM 5397 C C . THR C 3 203 ? 4.096 64.673 -7.770 1.00 78.31 ? 193 THR H C 1 ATOM 5398 O O . THR C 3 203 ? 4.311 65.309 -6.737 1.00 78.51 ? 193 THR H O 1 ATOM 5399 C CB . THR C 3 203 ? 5.235 65.922 -9.605 1.00 86.99 ? 193 THR H CB 1 ATOM 5400 O OG1 . THR C 3 203 ? 5.025 66.759 -10.748 1.00 93.39 ? 193 THR H OG1 1 ATOM 5401 C CG2 . THR C 3 203 ? 6.149 64.769 -9.990 1.00 84.54 ? 193 THR H CG2 1 ATOM 5402 N N . TYR C 3 204 ? 4.037 63.346 -7.805 1.00 66.53 ? 194 TYR H N 1 ATOM 5403 C CA . TYR C 3 204 ? 4.156 62.541 -6.594 1.00 52.85 ? 194 TYR H CA 1 ATOM 5404 C C . TYR C 3 204 ? 5.436 61.712 -6.574 1.00 45.80 ? 194 TYR H C 1 ATOM 5405 O O . TYR C 3 204 ? 5.628 60.827 -7.407 1.00 51.54 ? 194 TYR H O 1 ATOM 5406 C CB . TYR C 3 204 ? 2.938 61.630 -6.451 1.00 49.79 ? 194 TYR H CB 1 ATOM 5407 C CG . TYR C 3 204 ? 1.663 62.368 -6.118 1.00 50.91 ? 194 TYR H CG 1 ATOM 5408 C CD1 . TYR C 3 204 ? 1.631 63.306 -5.095 1.00 53.55 ? 194 TYR H CD1 1 ATOM 5409 C CD2 . TYR C 3 204 ? 0.494 62.135 -6.831 1.00 53.51 ? 194 TYR H CD2 1 ATOM 5410 C CE1 . TYR C 3 204 ? 0.470 63.985 -4.784 1.00 59.05 ? 194 TYR H CE1 1 ATOM 5411 C CE2 . TYR C 3 204 ? -0.674 62.812 -6.530 1.00 57.35 ? 194 TYR H CE2 1 ATOM 5412 C CZ . TYR C 3 204 ? -0.679 63.736 -5.506 1.00 61.94 ? 194 TYR H CZ 1 ATOM 5413 O OH . TYR C 3 204 ? -1.835 64.414 -5.199 1.00 64.70 ? 194 TYR H OH 1 ATOM 5414 N N . ILE C 3 205 ? 6.306 62.006 -5.613 1.00 39.32 ? 195 ILE H N 1 ATOM 5415 C CA . ILE C 3 205 ? 7.575 61.303 -5.476 1.00 44.98 ? 195 ILE H CA 1 ATOM 5416 C C . ILE C 3 205 ? 7.683 60.675 -4.091 1.00 50.11 ? 195 ILE H C 1 ATOM 5417 O O . ILE C 3 205 ? 7.416 61.333 -3.087 1.00 59.04 ? 195 ILE H O 1 ATOM 5418 C CB . ILE C 3 205 ? 8.777 62.261 -5.667 1.00 51.42 ? 195 ILE H CB 1 ATOM 5419 C CG1 . ILE C 3 205 ? 8.584 63.156 -6.895 1.00 47.73 ? 195 ILE H CG1 1 ATOM 5420 C CG2 . ILE C 3 205 ? 10.081 61.481 -5.757 1.00 57.06 ? 195 ILE H CG2 1 ATOM 5421 C CD1 . ILE C 3 205 ? 8.153 64.577 -6.562 1.00 41.03 ? 195 ILE H CD1 1 ATOM 5422 N N . CYS C 3 206 ? 8.065 59.403 -4.029 1.00 54.06 ? 196 CYS H N 1 ATOM 5423 C CA . CYS C 3 206 ? 8.322 58.770 -2.738 1.00 59.68 ? 196 CYS H CA 1 ATOM 5424 C C . CYS C 3 206 ? 9.822 58.718 -2.459 1.00 63.25 ? 196 CYS H C 1 ATOM 5425 O O . CYS C 3 206 ? 10.608 58.263 -3.289 1.00 62.74 ? 196 CYS H O 1 ATOM 5426 C CB . CYS C 3 206 ? 7.699 57.371 -2.654 1.00 52.75 ? 196 CYS H CB 1 ATOM 5427 S SG . CYS C 3 206 ? 8.437 56.136 -3.739 1.00 88.14 ? 196 CYS H SG 1 ATOM 5428 N N . ASN C 3 207 ? 10.212 59.203 -1.288 1.00 56.94 ? 197 ASN H N 1 ATOM 5429 C CA . ASN C 3 207 ? 11.616 59.252 -0.919 1.00 53.70 ? 197 ASN H CA 1 ATOM 5430 C C . ASN C 3 207 ? 11.969 58.125 0.040 1.00 54.64 ? 197 ASN H C 1 ATOM 5431 O O . ASN C 3 207 ? 11.517 58.105 1.184 1.00 54.53 ? 197 ASN H O 1 ATOM 5432 C CB . ASN C 3 207 ? 11.950 60.608 -0.299 1.00 62.46 ? 197 ASN H CB 1 ATOM 5433 C CG . ASN C 3 207 ? 11.229 61.753 -0.982 1.00 69.74 ? 197 ASN H CG 1 ATOM 5434 O OD1 . ASN C 3 207 ? 10.160 62.178 -0.541 1.00 69.70 ? 197 ASN H OD1 1 ATOM 5435 N ND2 . ASN C 3 207 ? 11.806 62.255 -2.068 1.00 75.07 ? 197 ASN H ND2 1 ATOM 5436 N N . VAL C 3 208 ? 12.777 57.183 -0.436 1.00 58.08 ? 198 VAL H N 1 ATOM 5437 C CA . VAL C 3 208 ? 13.132 56.013 0.355 1.00 52.35 ? 198 VAL H CA 1 ATOM 5438 C C . VAL C 3 208 ? 14.556 56.113 0.897 1.00 61.37 ? 198 VAL H C 1 ATOM 5439 O O . VAL C 3 208 ? 15.493 56.424 0.162 1.00 67.74 ? 198 VAL H O 1 ATOM 5440 C CB . VAL C 3 208 ? 12.970 54.716 -0.460 1.00 45.01 ? 198 VAL H CB 1 ATOM 5441 C CG1 . VAL C 3 208 ? 13.378 53.508 0.368 1.00 48.07 ? 198 VAL H CG1 1 ATOM 5442 C CG2 . VAL C 3 208 ? 11.535 54.572 -0.941 1.00 43.85 ? 198 VAL H CG2 1 ATOM 5443 N N . ASN C 3 209 ? 14.708 55.850 2.190 1.00 69.09 ? 199 ASN H N 1 ATOM 5444 C CA . ASN C 3 209 ? 16.009 55.914 2.841 1.00 70.22 ? 199 ASN H CA 1 ATOM 5445 C C . ASN C 3 209 ? 16.415 54.586 3.469 1.00 69.39 ? 199 ASN H C 1 ATOM 5446 O O . ASN C 3 209 ? 15.697 54.041 4.305 1.00 72.80 ? 199 ASN H O 1 ATOM 5447 C CB . ASN C 3 209 ? 16.009 57.011 3.905 1.00 75.32 ? 199 ASN H CB 1 ATOM 5448 C CG . ASN C 3 209 ? 17.027 58.092 3.623 1.00 82.60 ? 199 ASN H CG 1 ATOM 5449 O OD1 . ASN C 3 209 ? 18.150 58.049 4.126 1.00 82.52 ? 199 ASN H OD1 1 ATOM 5450 N ND2 . ASN C 3 209 ? 16.641 59.072 2.813 1.00 86.23 ? 199 ASN H ND2 1 ATOM 5451 N N . HIS C 3 210 ? 17.569 54.069 3.059 1.00 65.88 ? 200 HIS H N 1 ATOM 5452 C CA . HIS C 3 210 ? 18.145 52.881 3.678 1.00 65.79 ? 200 HIS H CA 1 ATOM 5453 C C . HIS C 3 210 ? 19.557 53.190 4.162 1.00 73.41 ? 200 HIS H C 1 ATOM 5454 O O . HIS C 3 210 ? 20.525 53.061 3.411 1.00 81.33 ? 200 HIS H O 1 ATOM 5455 C CB . HIS C 3 210 ? 18.169 51.702 2.701 1.00 60.68 ? 200 HIS H CB 1 ATOM 5456 C CG . HIS C 3 210 ? 18.430 50.382 3.357 1.00 60.50 ? 200 HIS H CG 1 ATOM 5457 N ND1 . HIS C 3 210 ? 19.294 49.441 2.837 1.00 61.11 ? 200 HIS H ND1 1 ATOM 5458 C CD2 . HIS C 3 210 ? 17.934 49.841 4.499 1.00 58.03 ? 200 HIS H CD2 1 ATOM 5459 C CE1 . HIS C 3 210 ? 19.324 48.385 3.629 1.00 51.57 ? 200 HIS H CE1 1 ATOM 5460 N NE2 . HIS C 3 210 ? 18.508 48.602 4.643 1.00 51.50 ? 200 HIS H NE2 1 ATOM 5461 N N . LYS C 3 211 ? 19.667 53.600 5.421 1.00 73.04 ? 201 LYS H N 1 ATOM 5462 C CA . LYS C 3 211 ? 20.959 53.978 5.996 1.00 81.10 ? 201 LYS H CA 1 ATOM 5463 C C . LYS C 3 211 ? 22.029 52.865 6.020 1.00 79.83 ? 201 LYS H C 1 ATOM 5464 O O . LYS C 3 211 ? 23.198 53.152 5.775 1.00 76.66 ? 201 LYS H O 1 ATOM 5465 C CB . LYS C 3 211 ? 20.784 54.597 7.391 1.00 84.65 ? 201 LYS H CB 1 ATOM 5466 C CG . LYS C 3 211 ? 22.066 55.189 7.982 1.00 86.07 ? 201 LYS H CG 1 ATOM 5467 C CD . LYS C 3 211 ? 21.822 55.776 9.370 1.00 85.27 ? 201 LYS H CD 1 ATOM 5468 C CE . LYS C 3 211 ? 23.098 56.348 9.968 1.00 81.08 ? 201 LYS H CE 1 ATOM 5469 N NZ . LYS C 3 211 ? 22.868 56.938 11.314 1.00 74.80 ? 201 LYS H NZ 1 ATOM 5470 N N . PRO C 3 212 ? 21.648 51.606 6.327 1.00 68.07 ? 202 PRO H N 1 ATOM 5471 C CA . PRO C 3 212 ? 22.664 50.541 6.302 1.00 66.76 ? 202 PRO H CA 1 ATOM 5472 C C . PRO C 3 212 ? 23.454 50.416 4.993 1.00 64.72 ? 202 PRO H C 1 ATOM 5473 O O . PRO C 3 212 ? 24.656 50.160 5.044 1.00 67.14 ? 202 PRO H O 1 ATOM 5474 C CB . PRO C 3 212 ? 21.840 49.279 6.543 1.00 60.63 ? 202 PRO H CB 1 ATOM 5475 C CG . PRO C 3 212 ? 20.732 49.729 7.400 1.00 56.24 ? 202 PRO H CG 1 ATOM 5476 C CD . PRO C 3 212 ? 20.390 51.129 6.934 1.00 53.84 ? 202 PRO H CD 1 ATOM 5477 N N . SER C 3 213 ? 22.794 50.582 3.852 1.00 55.05 ? 203 SER H N 1 ATOM 5478 C CA . SER C 3 213 ? 23.474 50.513 2.562 1.00 55.47 ? 203 SER H CA 1 ATOM 5479 C C . SER C 3 213 ? 23.809 51.915 2.076 1.00 62.80 ? 203 SER H C 1 ATOM 5480 O O . SER C 3 213 ? 24.396 52.094 1.006 1.00 61.21 ? 203 SER H O 1 ATOM 5481 C CB . SER C 3 213 ? 22.608 49.792 1.530 1.00 54.04 ? 203 SER H CB 1 ATOM 5482 O OG . SER C 3 213 ? 21.367 50.454 1.357 1.00 56.03 ? 203 SER H OG 1 ATOM 5483 N N . ASN C 3 214 ? 23.424 52.900 2.883 1.00 80.36 ? 204 ASN H N 1 ATOM 5484 C CA . ASN C 3 214 ? 23.636 54.311 2.583 1.00 82.20 ? 204 ASN H CA 1 ATOM 5485 C C . ASN C 3 214 ? 23.052 54.729 1.238 1.00 73.53 ? 204 ASN H C 1 ATOM 5486 O O . ASN C 3 214 ? 23.604 55.587 0.549 1.00 67.92 ? 204 ASN H O 1 ATOM 5487 C CB . ASN C 3 214 ? 25.122 54.668 2.665 1.00 79.63 ? 204 ASN H CB 1 ATOM 5488 C CG . ASN C 3 214 ? 25.357 56.031 3.284 1.00 85.22 ? 204 ASN H CG 1 ATOM 5489 O OD1 . ASN C 3 214 ? 24.629 56.986 3.008 1.00 77.94 ? 204 ASN H OD1 1 ATOM 5490 N ND2 . ASN C 3 214 ? 26.372 56.127 4.136 1.00 93.20 ? 204 ASN H ND2 1 ATOM 5491 N N . THR C 3 215 ? 21.930 54.115 0.872 1.00 64.78 ? 205 THR H N 1 ATOM 5492 C CA . THR C 3 215 ? 21.268 54.427 -0.386 1.00 66.68 ? 205 THR H CA 1 ATOM 5493 C C . THR C 3 215 ? 20.032 55.291 -0.162 1.00 69.21 ? 205 THR H C 1 ATOM 5494 O O . THR C 3 215 ? 19.196 54.998 0.691 1.00 61.49 ? 205 THR H O 1 ATOM 5495 C CB . THR C 3 215 ? 20.869 53.151 -1.163 1.00 51.61 ? 205 THR H CB 1 ATOM 5496 O OG1 . THR C 3 215 ? 19.919 52.397 -0.401 1.00 47.52 ? 205 THR H OG1 1 ATOM 5497 C CG2 . THR C 3 215 ? 22.092 52.290 -1.444 1.00 41.76 ? 205 THR H CG2 1 ATOM 5498 N N . LYS C 3 216 ? 19.933 56.366 -0.935 1.00 76.00 ? 206 LYS H N 1 ATOM 5499 C CA . LYS C 3 216 ? 18.794 57.269 -0.859 1.00 66.21 ? 206 LYS H CA 1 ATOM 5500 C C . LYS C 3 216 ? 18.137 57.366 -2.232 1.00 62.64 ? 206 LYS H C 1 ATOM 5501 O O . LYS C 3 216 ? 18.707 57.937 -3.163 1.00 72.79 ? 206 LYS H O 1 ATOM 5502 C CB . LYS C 3 216 ? 19.233 58.654 -0.372 1.00 65.80 ? 206 LYS H CB 1 ATOM 5503 C CG . LYS C 3 216 ? 19.503 58.752 1.130 1.00 68.82 ? 206 LYS H CG 1 ATOM 5504 C CD . LYS C 3 216 ? 20.857 58.175 1.527 1.00 73.11 ? 206 LYS H CD 1 ATOM 5505 C CE . LYS C 3 216 ? 21.169 58.445 2.994 1.00 69.79 ? 206 LYS H CE 1 ATOM 5506 N NZ . LYS C 3 216 ? 21.264 57.199 3.808 1.00 55.89 ? 206 LYS H NZ 1 ATOM 5507 N N . VAL C 3 217 ? 16.943 56.798 -2.357 1.00 54.22 ? 207 VAL H N 1 ATOM 5508 C CA . VAL C 3 217 ? 16.257 56.753 -3.643 1.00 60.32 ? 207 VAL H CA 1 ATOM 5509 C C . VAL C 3 217 ? 14.974 57.578 -3.646 1.00 61.87 ? 207 VAL H C 1 ATOM 5510 O O . VAL C 3 217 ? 14.091 57.377 -2.813 1.00 56.76 ? 207 VAL H O 1 ATOM 5511 C CB . VAL C 3 217 ? 15.919 55.303 -4.057 1.00 51.05 ? 207 VAL H CB 1 ATOM 5512 C CG1 . VAL C 3 217 ? 15.076 55.298 -5.321 1.00 39.62 ? 207 VAL H CG1 1 ATOM 5513 C CG2 . VAL C 3 217 ? 17.192 54.496 -4.253 1.00 46.55 ? 207 VAL H CG2 1 ATOM 5514 N N . ASP C 3 218 ? 14.884 58.509 -4.588 1.00 67.81 ? 208 ASP H N 1 ATOM 5515 C CA . ASP C 3 218 ? 13.666 59.277 -4.791 1.00 72.24 ? 208 ASP H CA 1 ATOM 5516 C C . ASP C 3 218 ? 12.994 58.831 -6.080 1.00 67.35 ? 208 ASP H C 1 ATOM 5517 O O . ASP C 3 218 ? 13.531 59.037 -7.167 1.00 67.02 ? 208 ASP H O 1 ATOM 5518 C CB . ASP C 3 218 ? 13.980 60.769 -4.849 1.00 81.75 ? 208 ASP H CB 1 ATOM 5519 C CG . ASP C 3 218 ? 14.806 61.233 -3.670 1.00 96.08 ? 208 ASP H CG 1 ATOM 5520 O OD1 . ASP C 3 218 ? 14.212 61.596 -2.632 1.00 101.68 ? 208 ASP H OD1 1 ATOM 5521 O OD2 . ASP C 3 218 ? 16.051 61.229 -3.783 1.00 102.33 ? 208 ASP H OD2 1 ATOM 5522 N N . LYS C 3 219 ? 11.816 58.229 -5.954 1.00 65.76 ? 209 LYS H N 1 ATOM 5523 C CA . LYS C 3 219 ? 11.132 57.636 -7.096 1.00 62.88 ? 209 LYS H CA 1 ATOM 5524 C C . LYS C 3 219 ? 9.841 58.391 -7.445 1.00 66.08 ? 209 LYS H C 1 ATOM 5525 O O . LYS C 3 219 ? 8.952 58.551 -6.602 1.00 67.35 ? 209 LYS H O 1 ATOM 5526 C CB . LYS C 3 219 ? 10.846 56.157 -6.817 1.00 57.92 ? 209 LYS H CB 1 ATOM 5527 C CG . LYS C 3 219 ? 10.334 55.381 -8.008 1.00 53.26 ? 209 LYS H CG 1 ATOM 5528 C CD . LYS C 3 219 ? 11.384 55.292 -9.095 1.00 63.91 ? 209 LYS H CD 1 ATOM 5529 C CE . LYS C 3 219 ? 10.824 54.592 -10.313 1.00 75.42 ? 209 LYS H CE 1 ATOM 5530 N NZ . LYS C 3 219 ? 9.718 55.377 -10.938 1.00 82.63 ? 209 LYS H NZ 1 ATOM 5531 N N . ARG C 3 220 ? 9.755 58.860 -8.690 1.00 68.79 ? 210 ARG H N 1 ATOM 5532 C CA . ARG C 3 220 ? 8.583 59.595 -9.189 1.00 61.21 ? 210 ARG H CA 1 ATOM 5533 C C . ARG C 3 220 ? 7.523 58.622 -9.716 1.00 57.47 ? 210 ARG H C 1 ATOM 5534 O O . ARG C 3 220 ? 7.855 57.683 -10.450 1.00 59.58 ? 210 ARG H O 1 ATOM 5535 C CB . ARG C 3 220 ? 8.997 60.574 -10.300 1.00 59.16 ? 210 ARG H CB 1 ATOM 5536 C CG . ARG C 3 220 ? 7.834 61.269 -11.017 1.00 68.82 ? 210 ARG H CG 1 ATOM 5537 C CD . ARG C 3 220 ? 8.282 62.140 -12.203 1.00 80.45 ? 210 ARG H CD 1 ATOM 5538 N NE . ARG C 3 220 ? 7.168 62.451 -13.101 1.00 90.76 ? 210 ARG H NE 1 ATOM 5539 C CZ . ARG C 3 220 ? 6.759 61.654 -14.085 1.00 91.28 ? 210 ARG H CZ 1 ATOM 5540 N NH1 . ARG C 3 220 ? 7.367 60.498 -14.302 1.00 86.45 ? 210 ARG H NH1 1 ATOM 5541 N NH2 . ARG C 3 220 ? 5.740 62.007 -14.852 1.00 90.52 ? 210 ARG H NH2 1 ATOM 5542 N N . VAL C 3 221 ? 6.264 58.833 -9.325 1.00 50.29 ? 211 VAL H N 1 ATOM 5543 C CA . VAL C 3 221 ? 5.175 57.957 -9.748 1.00 44.69 ? 211 VAL H CA 1 ATOM 5544 C C . VAL C 3 221 ? 4.261 58.649 -10.763 1.00 52.30 ? 211 VAL H C 1 ATOM 5545 O O . VAL C 3 221 ? 3.534 59.580 -10.422 1.00 53.68 ? 211 VAL H O 1 ATOM 5546 C CB . VAL C 3 221 ? 4.349 57.479 -8.562 1.00 39.29 ? 211 VAL H CB 1 ATOM 5547 C CG1 . VAL C 3 221 ? 3.136 56.670 -9.039 1.00 44.02 ? 211 VAL H CG1 1 ATOM 5548 C CG2 . VAL C 3 221 ? 5.191 56.656 -7.609 1.00 36.96 ? 211 VAL H CG2 1 ATOM 5549 N N . GLU C 3 222 ? 4.292 58.180 -12.008 1.00 70.47 ? 212 GLU H N 1 ATOM 5550 C CA . GLU C 3 222 ? 3.437 58.733 -13.049 1.00 81.80 ? 212 GLU H CA 1 ATOM 5551 C C . GLU C 3 222 ? 2.153 57.920 -13.175 1.00 74.39 ? 212 GLU H C 1 ATOM 5552 O O . GLU C 3 222 ? 2.146 56.716 -12.917 1.00 65.45 ? 212 GLU H O 1 ATOM 5553 C CB . GLU C 3 222 ? 4.169 58.771 -14.393 1.00 95.21 ? 212 GLU H CB 1 ATOM 5554 C CG . GLU C 3 222 ? 4.417 57.404 -15.013 1.00 103.15 ? 212 GLU H CG 1 ATOM 5555 C CD . GLU C 3 222 ? 4.948 57.494 -16.431 1.00 107.51 ? 212 GLU H CD 1 ATOM 5556 O OE1 . GLU C 3 222 ? 4.136 57.416 -17.379 1.00 108.40 ? 212 GLU H OE1 1 ATOM 5557 O OE2 . GLU C 3 222 ? 6.177 57.643 -16.596 1.00 109.03 ? 212 GLU H OE2 1 ATOM 5558 N N . PRO C 3 223 ? 1.053 58.580 -13.568 1.00 68.04 ? 213 PRO H N 1 ATOM 5559 C CA . PRO C 3 223 ? -0.227 57.897 -13.778 1.00 64.02 ? 213 PRO H CA 1 ATOM 5560 C C . PRO C 3 223 ? -0.201 57.041 -15.036 1.00 66.36 ? 213 PRO H C 1 ATOM 5561 O O . PRO C 3 223 ? 0.776 57.075 -15.782 1.00 72.93 ? 213 PRO H O 1 ATOM 5562 C CB . PRO C 3 223 ? -1.220 59.054 -13.965 1.00 59.13 ? 213 PRO H CB 1 ATOM 5563 C CG . PRO C 3 223 ? -0.524 60.263 -13.433 1.00 64.75 ? 213 PRO H CG 1 ATOM 5564 C CD . PRO C 3 223 ? 0.920 60.036 -13.719 1.00 67.55 ? 213 PRO H CD 1 ATOM 5565 N N . LYS C 3 224 ? -1.267 56.282 -15.264 1.00 62.72 ? 214 LYS H N 1 ATOM 5566 C CA . LYS C 3 224 ? -1.393 55.486 -16.478 1.00 63.47 ? 214 LYS H CA 1 ATOM 5567 C C . LYS C 3 224 ? -2.822 55.539 -17.007 1.00 52.82 ? 214 LYS H C 1 ATOM 5568 O O . LYS C 3 224 ? -3.689 56.179 -16.411 1.00 47.79 ? 214 LYS H O 1 ATOM 5569 C CB . LYS C 3 224 ? -0.959 54.039 -16.229 1.00 67.95 ? 214 LYS H CB 1 ATOM 5570 C CG . LYS C 3 224 ? 0.544 53.871 -16.084 1.00 70.32 ? 214 LYS H CG 1 ATOM 5571 C CD . LYS C 3 224 ? 0.928 52.468 -15.659 1.00 75.59 ? 214 LYS H CD 1 ATOM 5572 C CE . LYS C 3 224 ? 2.436 52.354 -15.516 1.00 85.50 ? 214 LYS H CE 1 ATOM 5573 N NZ . LYS C 3 224 ? 2.855 51.064 -14.905 1.00 86.64 ? 214 LYS H NZ 1 ATOM 5574 N N . SER C 3 225 ? -3.065 54.870 -18.128 1.00 49.31 ? 215 SER H N 1 ATOM 5575 C CA . SER C 3 225 ? -4.391 54.867 -18.731 1.00 52.71 ? 215 SER H CA 1 ATOM 5576 C C . SER C 3 225 ? -4.894 53.447 -18.976 1.00 57.78 ? 215 SER H C 1 ATOM 5577 O O . SER C 3 225 ? -5.483 52.823 -18.091 1.00 50.96 ? 215 SER H O 1 ATOM 5578 C CB . SER C 3 225 ? -4.376 55.661 -20.037 1.00 43.63 ? 215 SER H CB 1 ATOM 5579 O OG . SER C 3 225 ? -3.760 56.926 -19.849 1.00 35.59 ? 215 SER H OG 1 ATOM 5580 N N . ASP D 4 1 ? -2.970 16.304 26.740 1.00 92.69 ? 1 ASP L N 1 ATOM 5581 C CA . ASP D 4 1 ? -3.050 17.225 25.613 1.00 101.45 ? 1 ASP L CA 1 ATOM 5582 C C . ASP D 4 1 ? -4.236 18.170 25.774 1.00 97.61 ? 1 ASP L C 1 ATOM 5583 O O . ASP D 4 1 ? -5.257 18.026 25.102 1.00 102.82 ? 1 ASP L O 1 ATOM 5584 C CB . ASP D 4 1 ? -3.155 16.454 24.294 1.00 106.83 ? 1 ASP L CB 1 ATOM 5585 C CG . ASP D 4 1 ? -3.120 17.364 23.081 1.00 107.12 ? 1 ASP L CG 1 ATOM 5586 O OD1 . ASP D 4 1 ? -4.200 17.674 22.535 1.00 103.43 ? 1 ASP L OD1 1 ATOM 5587 O OD2 . ASP D 4 1 ? -2.012 17.771 22.675 1.00 110.22 ? 1 ASP L OD2 1 ATOM 5588 N N . ILE D 4 2 ? -4.094 19.135 26.675 1.00 84.61 ? 2 ILE L N 1 ATOM 5589 C CA . ILE D 4 2 ? -5.153 20.103 26.930 1.00 82.65 ? 2 ILE L CA 1 ATOM 5590 C C . ILE D 4 2 ? -5.257 21.104 25.789 1.00 83.10 ? 2 ILE L C 1 ATOM 5591 O O . ILE D 4 2 ? -4.261 21.705 25.385 1.00 88.93 ? 2 ILE L O 1 ATOM 5592 C CB . ILE D 4 2 ? -4.908 20.873 28.241 1.00 82.56 ? 2 ILE L CB 1 ATOM 5593 C CG1 . ILE D 4 2 ? -4.951 19.925 29.439 1.00 89.04 ? 2 ILE L CG1 1 ATOM 5594 C CG2 . ILE D 4 2 ? -5.946 21.972 28.416 1.00 79.10 ? 2 ILE L CG2 1 ATOM 5595 C CD1 . ILE D 4 2 ? -6.346 19.511 29.836 1.00 93.20 ? 2 ILE L CD1 1 ATOM 5596 N N . GLN D 4 3 ? -6.467 21.277 25.268 1.00 76.64 ? 3 GLN L N 1 ATOM 5597 C CA . GLN D 4 3 ? -6.709 22.286 24.248 1.00 78.04 ? 3 GLN L CA 1 ATOM 5598 C C . GLN D 4 3 ? -7.313 23.530 24.887 1.00 72.65 ? 3 GLN L C 1 ATOM 5599 O O . GLN D 4 3 ? -8.271 23.439 25.652 1.00 70.00 ? 3 GLN L O 1 ATOM 5600 C CB . GLN D 4 3 ? -7.639 21.745 23.160 1.00 89.19 ? 3 GLN L CB 1 ATOM 5601 C CG . GLN D 4 3 ? -7.205 20.413 22.554 1.00 101.62 ? 3 GLN L CG 1 ATOM 5602 C CD . GLN D 4 3 ? -6.086 20.549 21.530 1.00 111.65 ? 3 GLN L CD 1 ATOM 5603 O OE1 . GLN D 4 3 ? -5.626 19.555 20.969 1.00 115.47 ? 3 GLN L OE1 1 ATOM 5604 N NE2 . GLN D 4 3 ? -5.650 21.780 21.277 1.00 110.44 ? 3 GLN L NE2 1 ATOM 5605 N N . LEU D 4 4 ? -6.740 24.688 24.575 1.00 68.49 ? 4 LEU L N 1 ATOM 5606 C CA . LEU D 4 4 ? -7.244 25.961 25.075 1.00 58.85 ? 4 LEU L CA 1 ATOM 5607 C C . LEU D 4 4 ? -7.708 26.835 23.925 1.00 73.08 ? 4 LEU L C 1 ATOM 5608 O O . LEU D 4 4 ? -6.910 27.222 23.070 1.00 84.38 ? 4 LEU L O 1 ATOM 5609 C CB . LEU D 4 4 ? -6.159 26.700 25.849 1.00 48.85 ? 4 LEU L CB 1 ATOM 5610 C CG . LEU D 4 4 ? -5.709 26.123 27.185 1.00 51.68 ? 4 LEU L CG 1 ATOM 5611 C CD1 . LEU D 4 4 ? -4.426 26.801 27.624 1.00 57.75 ? 4 LEU L CD1 1 ATOM 5612 C CD2 . LEU D 4 4 ? -6.794 26.308 28.227 1.00 49.12 ? 4 LEU L CD2 1 ATOM 5613 N N . THR D 4 5 ? -8.997 27.157 23.913 1.00 73.90 ? 5 THR L N 1 ATOM 5614 C CA . THR D 4 5 ? -9.558 27.994 22.861 1.00 75.68 ? 5 THR L CA 1 ATOM 5615 C C . THR D 4 5 ? -10.210 29.250 23.434 1.00 70.39 ? 5 THR L C 1 ATOM 5616 O O . THR D 4 5 ? -11.080 29.171 24.299 1.00 70.57 ? 5 THR L O 1 ATOM 5617 C CB . THR D 4 5 ? -10.588 27.220 22.017 1.00 72.28 ? 5 THR L CB 1 ATOM 5618 O OG1 . THR D 4 5 ? -11.824 27.942 21.990 1.00 75.50 ? 5 THR L OG1 1 ATOM 5619 C CG2 . THR D 4 5 ? -10.827 25.835 22.606 1.00 63.77 ? 5 THR L CG2 1 ATOM 5620 N N . GLN D 4 6 ? -9.780 30.409 22.944 1.00 65.69 ? 6 GLN L N 1 ATOM 5621 C CA . GLN D 4 6 ? -10.350 31.682 23.367 1.00 69.12 ? 6 GLN L CA 1 ATOM 5622 C C . GLN D 4 6 ? -11.324 32.219 22.322 1.00 81.95 ? 6 GLN L C 1 ATOM 5623 O O . GLN D 4 6 ? -10.967 32.376 21.155 1.00 92.26 ? 6 GLN L O 1 ATOM 5624 C CB . GLN D 4 6 ? -9.249 32.718 23.609 1.00 66.92 ? 6 GLN L CB 1 ATOM 5625 C CG . GLN D 4 6 ? -8.135 32.268 24.537 1.00 65.00 ? 6 GLN L CG 1 ATOM 5626 C CD . GLN D 4 6 ? -7.163 33.391 24.855 1.00 62.44 ? 6 GLN L CD 1 ATOM 5627 O OE1 . GLN D 4 6 ? -5.952 33.181 24.930 1.00 62.03 ? 6 GLN L OE1 1 ATOM 5628 N NE2 . GLN D 4 6 ? -7.695 34.595 25.045 1.00 59.06 ? 6 GLN L NE2 1 ATOM 5629 N N . SER D 4 7 ? -12.552 32.497 22.745 1.00 80.52 ? 7 SER L N 1 ATOM 5630 C CA . SER D 4 7 ? -13.534 33.134 21.875 1.00 85.52 ? 7 SER L CA 1 ATOM 5631 C C . SER D 4 7 ? -14.140 34.353 22.564 1.00 81.15 ? 7 SER L C 1 ATOM 5632 O O . SER D 4 7 ? -14.479 34.296 23.747 1.00 80.96 ? 7 SER L O 1 ATOM 5633 C CB . SER D 4 7 ? -14.630 32.147 21.465 1.00 90.90 ? 7 SER L CB 1 ATOM 5634 O OG . SER D 4 7 ? -14.112 31.134 20.619 1.00 91.37 ? 7 SER L OG 1 ATOM 5635 N N . PRO D 4 8 ? -14.283 35.464 21.823 1.00 70.60 ? 8 PRO L N 1 ATOM 5636 C CA . PRO D 4 8 ? -13.980 35.599 20.393 1.00 75.52 ? 8 PRO L CA 1 ATOM 5637 C C . PRO D 4 8 ? -12.489 35.787 20.121 1.00 82.69 ? 8 PRO L C 1 ATOM 5638 O O . PRO D 4 8 ? -11.731 36.100 21.042 1.00 81.26 ? 8 PRO L O 1 ATOM 5639 C CB . PRO D 4 8 ? -14.741 36.866 20.007 1.00 76.06 ? 8 PRO L CB 1 ATOM 5640 C CG . PRO D 4 8 ? -14.717 37.691 21.249 1.00 69.72 ? 8 PRO L CG 1 ATOM 5641 C CD . PRO D 4 8 ? -14.800 36.719 22.397 1.00 63.46 ? 8 PRO L CD 1 ATOM 5642 N N . ALA D 4 9 ? -12.078 35.593 18.871 1.00 84.82 ? 9 ALA L N 1 ATOM 5643 C CA . ALA D 4 9 ? -10.683 35.782 18.487 1.00 82.30 ? 9 ALA L CA 1 ATOM 5644 C C . ALA D 4 9 ? -10.326 37.262 18.529 1.00 79.96 ? 9 ALA L C 1 ATOM 5645 O O . ALA D 4 9 ? -9.237 37.640 18.960 1.00 72.92 ? 9 ALA L O 1 ATOM 5646 C CB . ALA D 4 9 ? -10.429 35.213 17.098 1.00 81.07 ? 9 ALA L CB 1 ATOM 5647 N N . SER D 4 10 ? -11.259 38.096 18.081 1.00 86.73 ? 10 SER L N 1 ATOM 5648 C CA . SER D 4 10 ? -11.092 39.541 18.138 1.00 89.44 ? 10 SER L CA 1 ATOM 5649 C C . SER D 4 10 ? -12.282 40.160 18.857 1.00 85.80 ? 10 SER L C 1 ATOM 5650 O O . SER D 4 10 ? -13.425 39.760 18.635 1.00 80.74 ? 10 SER L O 1 ATOM 5651 C CB . SER D 4 10 ? -10.952 40.127 16.731 1.00 92.53 ? 10 SER L CB 1 ATOM 5652 O OG . SER D 4 10 ? -10.745 41.531 16.777 1.00 90.90 ? 10 SER L OG 1 ATOM 5653 N N . LEU D 4 11 ? -12.012 41.129 19.725 1.00 89.41 ? 11 LEU L N 1 ATOM 5654 C CA . LEU D 4 11 ? -13.074 41.777 20.486 1.00 94.58 ? 11 LEU L CA 1 ATOM 5655 C C . LEU D 4 11 ? -13.095 43.287 20.258 1.00 95.18 ? 11 LEU L C 1 ATOM 5656 O O . LEU D 4 11 ? -12.089 43.968 20.450 1.00 95.90 ? 11 LEU L O 1 ATOM 5657 C CB . LEU D 4 11 ? -12.929 41.462 21.976 1.00 100.05 ? 11 LEU L CB 1 ATOM 5658 C CG . LEU D 4 11 ? -14.083 41.931 22.862 1.00 105.25 ? 11 LEU L CG 1 ATOM 5659 C CD1 . LEU D 4 11 ? -15.417 41.515 22.262 1.00 106.91 ? 11 LEU L CD1 1 ATOM 5660 C CD2 . LEU D 4 11 ? -13.929 41.369 24.264 1.00 105.50 ? 11 LEU L CD2 1 ATOM 5661 N N . SER D 4 12 ? -14.251 43.799 19.849 1.00 89.01 ? 12 SER L N 1 ATOM 5662 C CA . SER D 4 12 ? -14.401 45.208 19.532 1.00 85.56 ? 12 SER L CA 1 ATOM 5663 C C . SER D 4 12 ? -15.179 45.932 20.624 1.00 88.95 ? 12 SER L C 1 ATOM 5664 O O . SER D 4 12 ? -16.386 45.744 20.760 1.00 100.71 ? 12 SER L O 1 ATOM 5665 C CB . SER D 4 12 ? -15.117 45.363 18.191 1.00 83.95 ? 12 SER L CB 1 ATOM 5666 O OG . SER D 4 12 ? -15.219 46.737 17.833 1.00 88.99 ? 12 SER L OG 1 ATOM 5667 N N . VAL D 4 13 ? -14.486 46.756 21.405 1.00 78.35 ? 13 VAL L N 1 ATOM 5668 C CA . VAL D 4 13 ? -15.085 47.369 22.589 1.00 83.49 ? 13 VAL L CA 1 ATOM 5669 C C . VAL D 4 13 ? -14.632 48.818 22.823 1.00 87.57 ? 13 VAL L C 1 ATOM 5670 O O . VAL D 4 13 ? -13.443 49.130 22.738 1.00 82.81 ? 13 VAL L O 1 ATOM 5671 C CB . VAL D 4 13 ? -14.829 46.495 23.849 1.00 83.79 ? 13 VAL L CB 1 ATOM 5672 C CG1 . VAL D 4 13 ? -15.017 47.296 25.120 1.00 87.18 ? 13 VAL L CG1 1 ATOM 5673 C CG2 . VAL D 4 13 ? -15.742 45.276 23.855 1.00 80.40 ? 13 VAL L CG2 1 ATOM 5674 N N . SER D 4 14 ? -15.598 49.693 23.109 1.00 101.74 ? 14 SER L N 1 ATOM 5675 C CA . SER D 4 14 ? -15.347 51.119 23.339 1.00 100.96 ? 14 SER L CA 1 ATOM 5676 C C . SER D 4 14 ? -14.593 51.364 24.650 1.00 103.80 ? 14 SER L C 1 ATOM 5677 O O . SER D 4 14 ? -14.661 50.548 25.566 1.00 116.82 ? 14 SER L O 1 ATOM 5678 C CB . SER D 4 14 ? -16.678 51.878 23.358 1.00 98.32 ? 14 SER L CB 1 ATOM 5679 O OG . SER D 4 14 ? -17.444 51.599 22.195 1.00 96.23 ? 14 SER L OG 1 ATOM 5680 N N . PRO D 4 15 ? -13.866 52.493 24.745 1.00 77.02 ? 15 PRO L N 1 ATOM 5681 C CA . PRO D 4 15 ? -13.124 52.811 25.974 1.00 77.27 ? 15 PRO L CA 1 ATOM 5682 C C . PRO D 4 15 ? -14.032 53.089 27.171 1.00 82.15 ? 15 PRO L C 1 ATOM 5683 O O . PRO D 4 15 ? -14.411 54.236 27.403 1.00 81.07 ? 15 PRO L O 1 ATOM 5684 C CB . PRO D 4 15 ? -12.357 54.085 25.603 1.00 63.52 ? 15 PRO L CB 1 ATOM 5685 C CG . PRO D 4 15 ? -12.282 54.071 24.115 1.00 67.08 ? 15 PRO L CG 1 ATOM 5686 C CD . PRO D 4 15 ? -13.567 53.444 23.661 1.00 70.55 ? 15 PRO L CD 1 ATOM 5687 N N . GLY D 4 16 ? -14.357 52.047 27.929 1.00 101.48 ? 16 GLY L N 1 ATOM 5688 C CA . GLY D 4 16 ? -15.239 52.180 29.072 1.00 99.25 ? 16 GLY L CA 1 ATOM 5689 C C . GLY D 4 16 ? -16.524 51.416 28.836 1.00 103.18 ? 16 GLY L C 1 ATOM 5690 O O . GLY D 4 16 ? -17.513 51.604 29.544 1.00 104.12 ? 16 GLY L O 1 ATOM 5691 N N . GLU D 4 17 ? -16.504 50.545 27.833 1.00 126.82 ? 17 GLU L N 1 ATOM 5692 C CA . GLU D 4 17 ? -17.676 49.756 27.482 1.00 135.90 ? 17 GLU L CA 1 ATOM 5693 C C . GLU D 4 17 ? -17.630 48.389 28.158 1.00 130.25 ? 17 GLU L C 1 ATOM 5694 O O . GLU D 4 17 ? -18.425 47.503 27.842 1.00 130.66 ? 17 GLU L O 1 ATOM 5695 C CB . GLU D 4 17 ? -17.777 49.593 25.966 1.00 143.58 ? 17 GLU L CB 1 ATOM 5696 C CG . GLU D 4 17 ? -19.183 49.764 25.422 1.00 149.01 ? 17 GLU L CG 1 ATOM 5697 C CD . GLU D 4 17 ? -19.593 48.629 24.508 1.00 151.71 ? 17 GLU L CD 1 ATOM 5698 O OE1 . GLU D 4 17 ? -20.749 48.628 24.036 1.00 151.37 ? 17 GLU L OE1 1 ATOM 5699 O OE2 . GLU D 4 17 ? -18.759 47.732 24.266 1.00 152.35 ? 17 GLU L OE2 1 ATOM 5700 N N . ARG D 4 18 ? -16.683 48.233 29.080 1.00 104.58 ? 18 ARG L N 1 ATOM 5701 C CA . ARG D 4 18 ? -16.552 47.025 29.892 1.00 102.52 ? 18 ARG L CA 1 ATOM 5702 C C . ARG D 4 18 ? -16.342 45.770 29.047 1.00 97.95 ? 18 ARG L C 1 ATOM 5703 O O . ARG D 4 18 ? -17.290 45.048 28.735 1.00 92.21 ? 18 ARG L O 1 ATOM 5704 C CB . ARG D 4 18 ? -17.763 46.864 30.819 1.00 104.05 ? 18 ARG L CB 1 ATOM 5705 C CG . ARG D 4 18 ? -17.432 46.254 32.172 1.00 99.75 ? 18 ARG L CG 1 ATOM 5706 C CD . ARG D 4 18 ? -17.910 44.817 32.278 1.00 99.60 ? 18 ARG L CD 1 ATOM 5707 N NE . ARG D 4 18 ? -19.053 44.694 33.179 1.00 106.16 ? 18 ARG L NE 1 ATOM 5708 C CZ . ARG D 4 18 ? -18.953 44.600 34.501 1.00 108.01 ? 18 ARG L CZ 1 ATOM 5709 N NH1 . ARG D 4 18 ? -17.761 44.619 35.082 1.00 110.27 ? 18 ARG L NH1 1 ATOM 5710 N NH2 . ARG D 4 18 ? -20.045 44.490 35.246 1.00 105.49 ? 18 ARG L NH2 1 ATOM 5711 N N . ALA D 4 19 ? -15.089 45.519 28.680 1.00 100.43 ? 19 ALA L N 1 ATOM 5712 C CA . ALA D 4 19 ? -14.742 44.367 27.857 1.00 97.08 ? 19 ALA L CA 1 ATOM 5713 C C . ALA D 4 19 ? -14.636 43.093 28.687 1.00 91.79 ? 19 ALA L C 1 ATOM 5714 O O . ALA D 4 19 ? -14.048 43.092 29.769 1.00 88.28 ? 19 ALA L O 1 ATOM 5715 C CB . ALA D 4 19 ? -13.445 44.622 27.110 1.00 96.22 ? 19 ALA L CB 1 ATOM 5716 N N . THR D 4 20 ? -15.207 42.011 28.167 1.00 87.61 ? 20 THR L N 1 ATOM 5717 C CA . THR D 4 20 ? -15.165 40.713 28.834 1.00 83.67 ? 20 THR L CA 1 ATOM 5718 C C . THR D 4 20 ? -14.654 39.631 27.886 1.00 81.28 ? 20 THR L C 1 ATOM 5719 O O . THR D 4 20 ? -15.170 39.467 26.781 1.00 81.51 ? 20 THR L O 1 ATOM 5720 C CB . THR D 4 20 ? -16.554 40.300 29.345 1.00 84.04 ? 20 THR L CB 1 ATOM 5721 O OG1 . THR D 4 20 ? -17.466 40.226 28.242 1.00 90.70 ? 20 THR L OG1 1 ATOM 5722 C CG2 . THR D 4 20 ? -17.073 41.308 30.361 1.00 84.50 ? 20 THR L CG2 1 ATOM 5723 N N . LEU D 4 21 ? -13.642 38.892 28.331 1.00 82.11 ? 21 LEU L N 1 ATOM 5724 C CA . LEU D 4 21 ? -13.000 37.867 27.512 1.00 80.21 ? 21 LEU L CA 1 ATOM 5725 C C . LEU D 4 21 ? -13.292 36.469 28.056 1.00 89.32 ? 21 LEU L C 1 ATOM 5726 O O . LEU D 4 21 ? -13.627 36.316 29.230 1.00 101.30 ? 21 LEU L O 1 ATOM 5727 C CB . LEU D 4 21 ? -11.488 38.103 27.454 1.00 72.34 ? 21 LEU L CB 1 ATOM 5728 C CG . LEU D 4 21 ? -10.975 39.389 26.792 1.00 73.81 ? 21 LEU L CG 1 ATOM 5729 C CD1 . LEU D 4 21 ? -10.960 40.574 27.752 1.00 71.40 ? 21 LEU L CD1 1 ATOM 5730 C CD2 . LEU D 4 21 ? -9.592 39.158 26.210 1.00 77.40 ? 21 LEU L CD2 1 ATOM 5731 N N . SER D 4 22 ? -13.161 35.450 27.209 1.00 71.59 ? 22 SER L N 1 ATOM 5732 C CA . SER D 4 22 ? -13.478 34.081 27.618 1.00 68.22 ? 22 SER L CA 1 ATOM 5733 C C . SER D 4 22 ? -12.480 33.030 27.124 1.00 72.72 ? 22 SER L C 1 ATOM 5734 O O . SER D 4 22 ? -12.198 32.934 25.930 1.00 80.24 ? 22 SER L O 1 ATOM 5735 C CB . SER D 4 22 ? -14.890 33.701 27.165 1.00 70.92 ? 22 SER L CB 1 ATOM 5736 O OG . SER D 4 22 ? -14.865 32.546 26.344 1.00 77.19 ? 22 SER L OG 1 ATOM 5737 N N . CYS D 4 23 ? -11.964 32.234 28.056 1.00 73.18 ? 23 CYS L N 1 ATOM 5738 C CA . CYS D 4 23 ? -11.069 31.127 27.731 1.00 70.71 ? 23 CYS L CA 1 ATOM 5739 C C . CYS D 4 23 ? -11.741 29.812 28.115 1.00 68.97 ? 23 CYS L C 1 ATOM 5740 O O . CYS D 4 23 ? -12.374 29.717 29.164 1.00 71.37 ? 23 CYS L O 1 ATOM 5741 C CB . CYS D 4 23 ? -9.733 31.297 28.464 1.00 73.72 ? 23 CYS L CB 1 ATOM 5742 S SG . CYS D 4 23 ? -8.530 29.941 28.325 1.00 97.41 ? 23 CYS L SG 1 ATOM 5743 N N . ARG D 4 24 ? -11.619 28.807 27.255 1.00 71.82 ? 24 ARG L N 1 ATOM 5744 C CA . ARG D 4 24 ? -12.282 27.526 27.480 1.00 71.81 ? 24 ARG L CA 1 ATOM 5745 C C . ARG D 4 24 ? -11.359 26.349 27.175 1.00 68.46 ? 24 ARG L C 1 ATOM 5746 O O . ARG D 4 24 ? -10.697 26.318 26.138 1.00 79.12 ? 24 ARG L O 1 ATOM 5747 C CB . ARG D 4 24 ? -13.564 27.434 26.649 1.00 77.79 ? 24 ARG L CB 1 ATOM 5748 C CG . ARG D 4 24 ? -14.179 26.046 26.597 1.00 87.96 ? 24 ARG L CG 1 ATOM 5749 C CD . ARG D 4 24 ? -15.540 26.066 25.919 1.00 105.51 ? 24 ARG L CD 1 ATOM 5750 N NE . ARG D 4 24 ? -16.049 24.717 25.681 1.00 120.05 ? 24 ARG L NE 1 ATOM 5751 C CZ . ARG D 4 24 ? -17.294 24.441 25.305 1.00 123.86 ? 24 ARG L CZ 1 ATOM 5752 N NH1 . ARG D 4 24 ? -18.171 25.421 25.130 1.00 125.11 ? 24 ARG L NH1 1 ATOM 5753 N NH2 . ARG D 4 24 ? -17.665 23.181 25.111 1.00 118.83 ? 24 ARG L NH2 1 ATOM 5754 N N . ALA D 4 25 ? -11.327 25.383 28.089 1.00 50.89 ? 25 ALA L N 1 ATOM 5755 C CA . ALA D 4 25 ? -10.422 24.244 27.982 1.00 52.71 ? 25 ALA L CA 1 ATOM 5756 C C . ALA D 4 25 ? -11.164 22.935 27.726 1.00 56.98 ? 25 ALA L C 1 ATOM 5757 O O . ALA D 4 25 ? -12.299 22.754 28.169 1.00 57.23 ? 25 ALA L O 1 ATOM 5758 C CB . ALA D 4 25 ? -9.568 24.135 29.233 1.00 38.64 ? 25 ALA L CB 1 ATOM 5759 N N . SER D 4 26 ? -10.508 22.022 27.015 1.00 63.63 ? 26 SER L N 1 ATOM 5760 C CA . SER D 4 26 ? -11.107 20.742 26.650 1.00 72.97 ? 26 SER L CA 1 ATOM 5761 C C . SER D 4 26 ? -11.389 19.862 27.867 1.00 79.17 ? 26 SER L C 1 ATOM 5762 O O . SER D 4 26 ? -12.368 19.115 27.892 1.00 84.87 ? 26 SER L O 1 ATOM 5763 C CB . SER D 4 26 ? -10.218 20.005 25.643 1.00 79.12 ? 26 SER L CB 1 ATOM 5764 O OG . SER D 4 26 ? -8.850 20.084 26.015 1.00 83.19 ? 26 SER L OG 1 ATOM 5765 N N . GLN D 4 27 ? -10.527 19.953 28.873 1.00 81.00 ? 27 GLN L N 1 ATOM 5766 C CA . GLN D 4 27 ? -10.760 19.268 30.137 1.00 82.13 ? 27 GLN L CA 1 ATOM 5767 C C . GLN D 4 27 ? -10.791 20.287 31.262 1.00 77.62 ? 27 GLN L C 1 ATOM 5768 O O . GLN D 4 27 ? -10.752 21.494 31.022 1.00 80.82 ? 27 GLN L O 1 ATOM 5769 C CB . GLN D 4 27 ? -9.667 18.239 30.411 1.00 83.22 ? 27 GLN L CB 1 ATOM 5770 C CG . GLN D 4 27 ? -9.346 17.345 29.232 1.00 88.93 ? 27 GLN L CG 1 ATOM 5771 C CD . GLN D 4 27 ? -8.083 16.542 29.450 1.00 90.53 ? 27 GLN L CD 1 ATOM 5772 O OE1 . GLN D 4 27 ? -7.779 16.133 30.571 1.00 89.02 ? 27 GLN L OE1 1 ATOM 5773 N NE2 . GLN D 4 27 ? -7.329 16.323 28.378 1.00 87.97 ? 27 GLN L NE2 1 ATOM 5774 N N . SER D 4 28 ? -10.856 19.796 32.493 1.00 70.48 ? 28 SER L N 1 ATOM 5775 C CA . SER D 4 28 ? -10.842 20.669 33.655 1.00 70.34 ? 28 SER L CA 1 ATOM 5776 C C . SER D 4 28 ? -9.421 20.922 34.132 1.00 78.87 ? 28 SER L C 1 ATOM 5777 O O . SER D 4 28 ? -8.704 19.994 34.503 1.00 90.25 ? 28 SER L O 1 ATOM 5778 C CB . SER D 4 28 ? -11.662 20.067 34.794 1.00 68.07 ? 28 SER L CB 1 ATOM 5779 O OG . SER D 4 28 ? -11.474 20.803 35.989 1.00 60.90 ? 28 SER L OG 1 ATOM 5780 N N . VAL D 4 29 ? -9.019 22.187 34.119 1.00 70.81 ? 29 VAL L N 1 ATOM 5781 C CA . VAL D 4 29 ? -7.735 22.584 34.674 1.00 63.85 ? 29 VAL L CA 1 ATOM 5782 C C . VAL D 4 29 ? -7.945 23.156 36.072 1.00 65.53 ? 29 VAL L C 1 ATOM 5783 O O . VAL D 4 29 ? -7.060 23.805 36.630 1.00 63.45 ? 29 VAL L O 1 ATOM 5784 C CB . VAL D 4 29 ? -7.034 23.612 33.782 1.00 57.23 ? 29 VAL L CB 1 ATOM 5785 C CG1 . VAL D 4 29 ? -6.895 23.063 32.375 1.00 51.11 ? 29 VAL L CG1 1 ATOM 5786 C CG2 . VAL D 4 29 ? -7.815 24.911 33.762 1.00 62.16 ? 29 VAL L CG2 1 ATOM 5787 N N . ALA D 4 30 ? -9.133 22.906 36.619 1.00 73.11 ? 30 ALA L N 1 ATOM 5788 C CA . ALA D 4 30 ? -9.492 23.311 37.977 1.00 68.55 ? 30 ALA L CA 1 ATOM 5789 C C . ALA D 4 30 ? -9.363 24.814 38.221 1.00 70.55 ? 30 ALA L C 1 ATOM 5790 O O . ALA D 4 30 ? -9.940 25.621 37.493 1.00 78.12 ? 30 ALA L O 1 ATOM 5791 C CB . ALA D 4 30 ? -8.688 22.524 39.005 1.00 63.03 ? 30 ALA L CB 1 ATOM 5792 N N . GLY D 4 31 ? -8.612 25.184 39.252 1.00 73.98 ? 31 GLY L N 1 ATOM 5793 C CA . GLY D 4 31 ? -8.477 26.580 39.629 1.00 78.83 ? 31 GLY L CA 1 ATOM 5794 C C . GLY D 4 31 ? -7.193 27.213 39.131 1.00 70.90 ? 31 GLY L C 1 ATOM 5795 O O . GLY D 4 31 ? -6.932 28.390 39.362 1.00 77.24 ? 31 GLY L O 1 ATOM 5796 N N . ASN D 4 32 ? -6.392 26.422 38.431 1.00 46.34 ? 32 ASN L N 1 ATOM 5797 C CA . ASN D 4 32 ? -5.081 26.862 37.977 1.00 42.47 ? 32 ASN L CA 1 ATOM 5798 C C . ASN D 4 32 ? -5.100 27.396 36.550 1.00 59.46 ? 32 ASN L C 1 ATOM 5799 O O . ASN D 4 32 ? -4.906 26.646 35.593 1.00 62.74 ? 32 ASN L O 1 ATOM 5800 C CB . ASN D 4 32 ? -4.075 25.718 38.107 1.00 36.57 ? 32 ASN L CB 1 ATOM 5801 C CG . ASN D 4 32 ? -4.067 25.110 39.500 1.00 54.38 ? 32 ASN L CG 1 ATOM 5802 O OD1 . ASN D 4 32 ? -3.489 25.672 40.433 1.00 59.26 ? 32 ASN L OD1 1 ATOM 5803 N ND2 . ASN D 4 32 ? -4.718 23.961 39.650 1.00 59.36 ? 32 ASN L ND2 1 ATOM 5804 N N . LEU D 4 33 ? -5.345 28.697 36.415 1.00 65.31 ? 33 LEU L N 1 ATOM 5805 C CA . LEU D 4 33 ? -5.350 29.352 35.111 1.00 54.37 ? 33 LEU L CA 1 ATOM 5806 C C . LEU D 4 33 ? -4.817 30.777 35.220 1.00 57.30 ? 33 LEU L C 1 ATOM 5807 O O . LEU D 4 33 ? -5.124 31.490 36.172 1.00 64.70 ? 33 LEU L O 1 ATOM 5808 C CB . LEU D 4 33 ? -6.757 29.376 34.517 1.00 45.58 ? 33 LEU L CB 1 ATOM 5809 C CG . LEU D 4 33 ? -6.829 29.892 33.080 1.00 53.77 ? 33 LEU L CG 1 ATOM 5810 C CD1 . LEU D 4 33 ? -6.950 28.736 32.096 1.00 57.37 ? 33 LEU L CD1 1 ATOM 5811 C CD2 . LEU D 4 33 ? -7.967 30.886 32.907 1.00 60.41 ? 33 LEU L CD2 1 ATOM 5812 N N . ALA D 4 34 ? -4.023 31.191 34.239 1.00 54.32 ? 34 ALA L N 1 ATOM 5813 C CA . ALA D 4 34 ? -3.420 32.517 34.263 1.00 52.34 ? 34 ALA L CA 1 ATOM 5814 C C . ALA D 4 34 ? -3.799 33.345 33.040 1.00 61.74 ? 34 ALA L C 1 ATOM 5815 O O . ALA D 4 34 ? -4.110 32.801 31.984 1.00 69.83 ? 34 ALA L O 1 ATOM 5816 C CB . ALA D 4 34 ? -1.909 32.410 34.384 1.00 48.32 ? 34 ALA L CB 1 ATOM 5817 N N . TRP D 4 35 ? -3.767 34.665 33.197 1.00 60.25 ? 35 TRP L N 1 ATOM 5818 C CA . TRP D 4 35 ? -4.042 35.586 32.101 1.00 52.63 ? 35 TRP L CA 1 ATOM 5819 C C . TRP D 4 35 ? -2.843 36.498 31.864 1.00 51.92 ? 35 TRP L C 1 ATOM 5820 O O . TRP D 4 35 ? -2.271 37.042 32.809 1.00 56.45 ? 35 TRP L O 1 ATOM 5821 C CB . TRP D 4 35 ? -5.282 36.430 32.406 1.00 57.33 ? 35 TRP L CB 1 ATOM 5822 C CG . TRP D 4 35 ? -6.568 35.680 32.287 1.00 59.94 ? 35 TRP L CG 1 ATOM 5823 C CD1 . TRP D 4 35 ? -7.251 35.060 33.290 1.00 65.23 ? 35 TRP L CD1 1 ATOM 5824 C CD2 . TRP D 4 35 ? -7.327 35.469 31.093 1.00 57.59 ? 35 TRP L CD2 1 ATOM 5825 N NE1 . TRP D 4 35 ? -8.391 34.475 32.795 1.00 65.69 ? 35 TRP L NE1 1 ATOM 5826 C CE2 . TRP D 4 35 ? -8.461 34.711 31.448 1.00 59.26 ? 35 TRP L CE2 1 ATOM 5827 C CE3 . TRP D 4 35 ? -7.159 35.845 29.757 1.00 58.56 ? 35 TRP L CE3 1 ATOM 5828 C CZ2 . TRP D 4 35 ? -9.420 34.323 30.517 1.00 63.16 ? 35 TRP L CZ2 1 ATOM 5829 C CZ3 . TRP D 4 35 ? -8.112 35.459 28.834 1.00 67.24 ? 35 TRP L CZ3 1 ATOM 5830 C CH2 . TRP D 4 35 ? -9.229 34.705 29.219 1.00 70.87 ? 35 TRP L CH2 1 ATOM 5831 N N . TYR D 4 36 ? -2.463 36.662 30.602 1.00 45.68 ? 36 TYR L N 1 ATOM 5832 C CA . TYR D 4 36 ? -1.341 37.529 30.254 1.00 49.20 ? 36 TYR L CA 1 ATOM 5833 C C . TYR D 4 36 ? -1.771 38.655 29.318 1.00 60.36 ? 36 TYR L C 1 ATOM 5834 O O . TYR D 4 36 ? -2.671 38.488 28.496 1.00 59.89 ? 36 TYR L O 1 ATOM 5835 C CB . TYR D 4 36 ? -0.211 36.722 29.608 1.00 45.67 ? 36 TYR L CB 1 ATOM 5836 C CG . TYR D 4 36 ? 0.433 35.696 30.518 1.00 47.55 ? 36 TYR L CG 1 ATOM 5837 C CD1 . TYR D 4 36 ? 1.592 35.992 31.223 1.00 50.88 ? 36 TYR L CD1 1 ATOM 5838 C CD2 . TYR D 4 36 ? -0.114 34.427 30.664 1.00 44.36 ? 36 TYR L CD2 1 ATOM 5839 C CE1 . TYR D 4 36 ? 2.186 35.056 32.051 1.00 49.60 ? 36 TYR L CE1 1 ATOM 5840 C CE2 . TYR D 4 36 ? 0.472 33.486 31.491 1.00 40.01 ? 36 TYR L CE2 1 ATOM 5841 C CZ . TYR D 4 36 ? 1.621 33.806 32.181 1.00 46.62 ? 36 TYR L CZ 1 ATOM 5842 O OH . TYR D 4 36 ? 2.206 32.872 33.005 1.00 61.23 ? 36 TYR L OH 1 ATOM 5843 N N . GLN D 4 37 ? -1.122 39.806 29.452 1.00 67.74 ? 37 GLN L N 1 ATOM 5844 C CA . GLN D 4 37 ? -1.351 40.923 28.546 1.00 64.72 ? 37 GLN L CA 1 ATOM 5845 C C . GLN D 4 37 ? -0.088 41.247 27.767 1.00 64.23 ? 37 GLN L C 1 ATOM 5846 O O . GLN D 4 37 ? 0.947 41.560 28.352 1.00 74.42 ? 37 GLN L O 1 ATOM 5847 C CB . GLN D 4 37 ? -1.798 42.168 29.307 1.00 62.68 ? 37 GLN L CB 1 ATOM 5848 C CG . GLN D 4 37 ? -1.872 43.404 28.427 1.00 62.55 ? 37 GLN L CG 1 ATOM 5849 C CD . GLN D 4 37 ? -2.127 44.676 29.209 1.00 67.53 ? 37 GLN L CD 1 ATOM 5850 O OE1 . GLN D 4 37 ? -1.205 45.269 29.771 1.00 69.96 ? 37 GLN L OE1 1 ATOM 5851 N NE2 . GLN D 4 37 ? -3.382 45.111 29.238 1.00 71.61 ? 37 GLN L NE2 1 ATOM 5852 N N . GLN D 4 38 ? -0.176 41.176 26.445 1.00 49.76 ? 38 GLN L N 1 ATOM 5853 C CA . GLN D 4 38 ? 0.954 41.527 25.599 1.00 43.99 ? 38 GLN L CA 1 ATOM 5854 C C . GLN D 4 38 ? 0.614 42.726 24.727 1.00 50.43 ? 38 GLN L C 1 ATOM 5855 O O . GLN D 4 38 ? -0.180 42.622 23.793 1.00 53.69 ? 38 GLN L O 1 ATOM 5856 C CB . GLN D 4 38 ? 1.370 40.343 24.720 1.00 40.71 ? 38 GLN L CB 1 ATOM 5857 C CG . GLN D 4 38 ? 2.678 40.570 23.970 1.00 39.87 ? 38 GLN L CG 1 ATOM 5858 C CD . GLN D 4 38 ? 2.963 39.502 22.929 1.00 45.30 ? 38 GLN L CD 1 ATOM 5859 O OE1 . GLN D 4 38 ? 2.056 38.811 22.460 1.00 39.66 ? 38 GLN L OE1 1 ATOM 5860 N NE2 . GLN D 4 38 ? 4.233 39.363 22.560 1.00 49.74 ? 38 GLN L NE2 1 ATOM 5861 N N . LYS D 4 39 ? 1.211 43.868 25.041 1.00 60.78 ? 39 LYS L N 1 ATOM 5862 C CA . LYS D 4 39 ? 1.076 45.044 24.193 1.00 73.33 ? 39 LYS L CA 1 ATOM 5863 C C . LYS D 4 39 ? 2.084 44.958 23.054 1.00 82.61 ? 39 LYS L C 1 ATOM 5864 O O . LYS D 4 39 ? 3.252 44.646 23.285 1.00 82.31 ? 39 LYS L O 1 ATOM 5865 C CB . LYS D 4 39 ? 1.276 46.323 25.005 1.00 73.24 ? 39 LYS L CB 1 ATOM 5866 C CG . LYS D 4 39 ? 0.062 46.720 25.833 1.00 74.28 ? 39 LYS L CG 1 ATOM 5867 C CD . LYS D 4 39 ? 0.464 47.232 27.206 1.00 80.78 ? 39 LYS L CD 1 ATOM 5868 C CE . LYS D 4 39 ? 1.486 48.354 27.103 1.00 86.17 ? 39 LYS L CE 1 ATOM 5869 N NZ . LYS D 4 39 ? 1.880 48.867 28.446 1.00 83.55 ? 39 LYS L NZ 1 ATOM 5870 N N . PRO D 4 40 ? 1.626 45.223 21.818 1.00 84.25 ? 40 PRO L N 1 ATOM 5871 C CA . PRO D 4 40 ? 2.410 45.091 20.582 1.00 76.81 ? 40 PRO L CA 1 ATOM 5872 C C . PRO D 4 40 ? 3.817 45.678 20.682 1.00 66.10 ? 40 PRO L C 1 ATOM 5873 O O . PRO D 4 40 ? 3.972 46.856 21.005 1.00 63.11 ? 40 PRO L O 1 ATOM 5874 C CB . PRO D 4 40 ? 1.582 45.881 19.567 1.00 72.53 ? 40 PRO L CB 1 ATOM 5875 C CG . PRO D 4 40 ? 0.184 45.724 20.044 1.00 73.23 ? 40 PRO L CG 1 ATOM 5876 C CD . PRO D 4 40 ? 0.254 45.692 21.547 1.00 77.35 ? 40 PRO L CD 1 ATOM 5877 N N . GLY D 4 41 ? 4.826 44.853 20.414 1.00 54.11 ? 41 GLY L N 1 ATOM 5878 C CA . GLY D 4 41 ? 6.208 45.296 20.437 1.00 59.41 ? 41 GLY L CA 1 ATOM 5879 C C . GLY D 4 41 ? 6.882 45.053 21.773 1.00 72.86 ? 41 GLY L C 1 ATOM 5880 O O . GLY D 4 41 ? 8.029 45.446 21.982 1.00 79.32 ? 41 GLY L O 1 ATOM 5881 N N . GLN D 4 42 ? 6.164 44.399 22.680 1.00 91.73 ? 42 GLN L N 1 ATOM 5882 C CA . GLN D 4 42 ? 6.662 44.165 24.031 1.00 95.09 ? 42 GLN L CA 1 ATOM 5883 C C . GLN D 4 42 ? 6.436 42.732 24.494 1.00 94.09 ? 42 GLN L C 1 ATOM 5884 O O . GLN D 4 42 ? 5.738 41.956 23.842 1.00 101.68 ? 42 GLN L O 1 ATOM 5885 C CB . GLN D 4 42 ? 6.002 45.132 25.017 1.00 98.57 ? 42 GLN L CB 1 ATOM 5886 C CG . GLN D 4 42 ? 6.829 46.365 25.332 1.00 99.30 ? 42 GLN L CG 1 ATOM 5887 C CD . GLN D 4 42 ? 6.136 47.293 26.309 1.00 99.95 ? 42 GLN L CD 1 ATOM 5888 O OE1 . GLN D 4 42 ? 4.953 47.126 26.606 1.00 97.92 ? 42 GLN L OE1 1 ATOM 5889 N NE2 . GLN D 4 42 ? 6.870 48.277 26.816 1.00 101.14 ? 42 GLN L NE2 1 ATOM 5890 N N . ALA D 4 43 ? 7.035 42.391 25.631 1.00 74.31 ? 43 ALA L N 1 ATOM 5891 C CA . ALA D 4 43 ? 6.858 41.077 26.236 1.00 67.30 ? 43 ALA L CA 1 ATOM 5892 C C . ALA D 4 43 ? 5.555 41.038 27.030 1.00 62.30 ? 43 ALA L C 1 ATOM 5893 O O . ALA D 4 43 ? 5.047 42.083 27.433 1.00 63.22 ? 43 ALA L O 1 ATOM 5894 C CB . ALA D 4 43 ? 8.032 40.762 27.136 1.00 69.74 ? 43 ALA L CB 1 ATOM 5895 N N . PRO D 4 44 ? 5.004 39.833 27.250 1.00 56.77 ? 44 PRO L N 1 ATOM 5896 C CA . PRO D 4 44 ? 3.764 39.706 28.022 1.00 47.05 ? 44 PRO L CA 1 ATOM 5897 C C . PRO D 4 44 ? 3.913 40.145 29.476 1.00 49.33 ? 44 PRO L C 1 ATOM 5898 O O . PRO D 4 44 ? 4.954 39.924 30.093 1.00 38.58 ? 44 PRO L O 1 ATOM 5899 C CB . PRO D 4 44 ? 3.471 38.206 27.968 1.00 41.25 ? 44 PRO L CB 1 ATOM 5900 C CG . PRO D 4 44 ? 4.162 37.724 26.755 1.00 46.95 ? 44 PRO L CG 1 ATOM 5901 C CD . PRO D 4 44 ? 5.406 38.552 26.644 1.00 57.39 ? 44 PRO L CD 1 ATOM 5902 N N . ARG D 4 45 ? 2.862 40.761 30.008 1.00 63.44 ? 45 ARG L N 1 ATOM 5903 C CA . ARG D 4 45 ? 2.811 41.151 31.409 1.00 66.57 ? 45 ARG L CA 1 ATOM 5904 C C . ARG D 4 45 ? 1.821 40.237 32.118 1.00 61.90 ? 45 ARG L C 1 ATOM 5905 O O . ARG D 4 45 ? 0.711 40.025 31.631 1.00 61.10 ? 45 ARG L O 1 ATOM 5906 C CB . ARG D 4 45 ? 2.354 42.607 31.530 1.00 79.74 ? 45 ARG L CB 1 ATOM 5907 C CG . ARG D 4 45 ? 2.491 43.213 32.918 1.00 94.10 ? 45 ARG L CG 1 ATOM 5908 C CD . ARG D 4 45 ? 3.921 43.648 33.198 1.00 102.45 ? 45 ARG L CD 1 ATOM 5909 N NE . ARG D 4 45 ? 3.998 44.551 34.343 1.00 109.03 ? 45 ARG L NE 1 ATOM 5910 C CZ . ARG D 4 45 ? 4.147 44.153 35.603 1.00 110.42 ? 45 ARG L CZ 1 ATOM 5911 N NH1 . ARG D 4 45 ? 4.238 42.860 35.886 1.00 109.39 ? 45 ARG L NH1 1 ATOM 5912 N NH2 . ARG D 4 45 ? 4.204 45.047 36.581 1.00 106.83 ? 45 ARG L NH2 1 ATOM 5913 N N . LEU D 4 46 ? 2.219 39.686 33.260 1.00 59.68 ? 46 LEU L N 1 ATOM 5914 C CA . LEU D 4 46 ? 1.332 38.812 34.021 1.00 61.46 ? 46 LEU L CA 1 ATOM 5915 C C . LEU D 4 46 ? 0.200 39.599 34.678 1.00 53.13 ? 46 LEU L C 1 ATOM 5916 O O . LEU D 4 46 ? 0.447 40.548 35.423 1.00 48.97 ? 46 LEU L O 1 ATOM 5917 C CB . LEU D 4 46 ? 2.112 38.038 35.084 1.00 63.00 ? 46 LEU L CB 1 ATOM 5918 C CG . LEU D 4 46 ? 1.240 37.144 35.971 1.00 54.89 ? 46 LEU L CG 1 ATOM 5919 C CD1 . LEU D 4 46 ? 0.619 36.020 35.155 1.00 57.62 ? 46 LEU L CD1 1 ATOM 5920 C CD2 . LEU D 4 46 ? 2.027 36.589 37.145 1.00 48.68 ? 46 LEU L CD2 1 ATOM 5921 N N . LEU D 4 47 ? -1.038 39.196 34.403 1.00 44.04 ? 47 LEU L N 1 ATOM 5922 C CA . LEU D 4 47 ? -2.208 39.865 34.968 1.00 54.54 ? 47 LEU L CA 1 ATOM 5923 C C . LEU D 4 47 ? -2.832 39.071 36.111 1.00 63.84 ? 47 LEU L C 1 ATOM 5924 O O . LEU D 4 47 ? -2.766 39.473 37.271 1.00 66.14 ? 47 LEU L O 1 ATOM 5925 C CB . LEU D 4 47 ? -3.266 40.102 33.888 1.00 58.91 ? 47 LEU L CB 1 ATOM 5926 C CG . LEU D 4 47 ? -2.932 41.075 32.757 1.00 58.32 ? 47 LEU L CG 1 ATOM 5927 C CD1 . LEU D 4 47 ? -4.139 41.239 31.848 1.00 59.09 ? 47 LEU L CD1 1 ATOM 5928 C CD2 . LEU D 4 47 ? -2.491 42.415 33.317 1.00 57.76 ? 47 LEU L CD2 1 ATOM 5929 N N . ILE D 4 48 ? -3.443 37.943 35.768 1.00 65.95 ? 48 ILE L N 1 ATOM 5930 C CA . ILE D 4 48 ? -4.163 37.118 36.731 1.00 70.44 ? 48 ILE L CA 1 ATOM 5931 C C . ILE D 4 48 ? -3.512 35.739 36.860 1.00 73.65 ? 48 ILE L C 1 ATOM 5932 O O . ILE D 4 48 ? -3.059 35.174 35.869 1.00 80.23 ? 48 ILE L O 1 ATOM 5933 C CB . ILE D 4 48 ? -5.655 36.974 36.315 1.00 52.71 ? 48 ILE L CB 1 ATOM 5934 C CG1 . ILE D 4 48 ? -6.524 38.024 37.016 1.00 40.33 ? 48 ILE L CG1 1 ATOM 5935 C CG2 . ILE D 4 48 ? -6.195 35.576 36.612 1.00 52.16 ? 48 ILE L CG2 1 ATOM 5936 C CD1 . ILE D 4 48 ? -6.304 39.434 36.532 1.00 44.22 ? 48 ILE L CD1 1 ATOM 5937 N N . TYR D 4 49 ? -3.443 35.216 38.081 1.00 75.24 ? 49 TYR L N 1 ATOM 5938 C CA . TYR D 4 49 ? -3.068 33.818 38.288 1.00 77.64 ? 49 TYR L CA 1 ATOM 5939 C C . TYR D 4 49 ? -4.017 33.152 39.284 1.00 69.09 ? 49 TYR L C 1 ATOM 5940 O O . TYR D 4 49 ? -4.576 33.814 40.156 1.00 69.80 ? 49 TYR L O 1 ATOM 5941 C CB . TYR D 4 49 ? -1.608 33.683 38.734 1.00 80.45 ? 49 TYR L CB 1 ATOM 5942 C CG . TYR D 4 49 ? -1.314 34.208 40.121 1.00 79.83 ? 49 TYR L CG 1 ATOM 5943 C CD1 . TYR D 4 49 ? -0.911 35.522 40.316 1.00 78.46 ? 49 TYR L CD1 1 ATOM 5944 C CD2 . TYR D 4 49 ? -1.424 33.385 41.235 1.00 82.85 ? 49 TYR L CD2 1 ATOM 5945 C CE1 . TYR D 4 49 ? -0.636 36.004 41.581 1.00 80.84 ? 49 TYR L CE1 1 ATOM 5946 C CE2 . TYR D 4 49 ? -1.150 33.858 42.504 1.00 83.05 ? 49 TYR L CE2 1 ATOM 5947 C CZ . TYR D 4 49 ? -0.757 35.169 42.671 1.00 84.53 ? 49 TYR L CZ 1 ATOM 5948 O OH . TYR D 4 49 ? -0.482 35.649 43.932 1.00 90.53 ? 49 TYR L OH 1 ATOM 5949 N N . GLY D 4 50 ? -4.204 31.844 39.145 1.00 53.82 ? 50 GLY L N 1 ATOM 5950 C CA . GLY D 4 50 ? -5.159 31.131 39.973 1.00 49.92 ? 50 GLY L CA 1 ATOM 5951 C C . GLY D 4 50 ? -6.581 31.524 39.620 1.00 46.70 ? 50 GLY L C 1 ATOM 5952 O O . GLY D 4 50 ? -7.498 31.375 40.429 1.00 43.23 ? 50 GLY L O 1 ATOM 5953 N N . ALA D 4 51 ? -6.747 32.049 38.408 1.00 48.79 ? 51 ALA L N 1 ATOM 5954 C CA . ALA D 4 51 ? -8.048 32.442 37.857 1.00 60.68 ? 51 ALA L CA 1 ATOM 5955 C C . ALA D 4 51 ? -8.755 33.592 38.580 1.00 70.67 ? 51 ALA L C 1 ATOM 5956 O O . ALA D 4 51 ? -9.686 34.181 38.036 1.00 76.61 ? 51 ALA L O 1 ATOM 5957 C CB . ALA D 4 51 ? -8.978 31.231 37.733 1.00 60.47 ? 51 ALA L CB 1 ATOM 5958 N N . SER D 4 52 ? -8.319 33.913 39.793 1.00 70.52 ? 52 SER L N 1 ATOM 5959 C CA . SER D 4 52 ? -8.991 34.936 40.589 1.00 72.31 ? 52 SER L CA 1 ATOM 5960 C C . SER D 4 52 ? -8.030 36.025 41.047 1.00 73.67 ? 52 SER L C 1 ATOM 5961 O O . SER D 4 52 ? -8.175 37.191 40.674 1.00 67.81 ? 52 SER L O 1 ATOM 5962 C CB . SER D 4 52 ? -9.680 34.303 41.802 1.00 69.96 ? 52 SER L CB 1 ATOM 5963 O OG . SER D 4 52 ? -10.635 33.334 41.402 1.00 65.79 ? 52 SER L OG 1 ATOM 5964 N N . THR D 4 53 ? -7.054 35.634 41.862 1.00 87.34 ? 53 THR L N 1 ATOM 5965 C CA . THR D 4 53 ? -6.066 36.563 42.403 1.00 84.71 ? 53 THR L CA 1 ATOM 5966 C C . THR D 4 53 ? -5.231 37.207 41.303 1.00 77.25 ? 53 THR L C 1 ATOM 5967 O O . THR D 4 53 ? -4.901 36.566 40.306 1.00 81.04 ? 53 THR L O 1 ATOM 5968 C CB . THR D 4 53 ? -5.128 35.864 43.409 1.00 77.03 ? 53 THR L CB 1 ATOM 5969 O OG1 . THR D 4 53 ? -3.772 36.245 43.142 1.00 76.10 ? 53 THR L OG1 1 ATOM 5970 C CG2 . THR D 4 53 ? -5.255 34.353 43.297 1.00 62.38 ? 53 THR L CG2 1 ATOM 5971 N N . ARG D 4 54 ? -4.889 38.477 41.490 1.00 63.76 ? 54 ARG L N 1 ATOM 5972 C CA . ARG D 4 54 ? -4.169 39.222 40.464 1.00 65.95 ? 54 ARG L CA 1 ATOM 5973 C C . ARG D 4 54 ? -2.747 39.575 40.900 1.00 65.39 ? 54 ARG L C 1 ATOM 5974 O O . ARG D 4 54 ? -2.476 39.758 42.088 1.00 60.59 ? 54 ARG L O 1 ATOM 5975 C CB . ARG D 4 54 ? -4.948 40.477 40.060 1.00 69.30 ? 54 ARG L CB 1 ATOM 5976 C CG . ARG D 4 54 ? -4.622 41.714 40.869 1.00 71.56 ? 54 ARG L CG 1 ATOM 5977 C CD . ARG D 4 54 ? -5.360 42.922 40.322 1.00 77.99 ? 54 ARG L CD 1 ATOM 5978 N NE . ARG D 4 54 ? -6.699 43.048 40.886 1.00 82.24 ? 54 ARG L NE 1 ATOM 5979 C CZ . ARG D 4 54 ? -6.982 43.778 41.961 1.00 87.42 ? 54 ARG L CZ 1 ATOM 5980 N NH1 . ARG D 4 54 ? -6.016 44.443 42.581 1.00 82.60 ? 54 ARG L NH1 1 ATOM 5981 N NH2 . ARG D 4 54 ? -8.226 43.844 42.413 1.00 93.20 ? 54 ARG L NH2 1 ATOM 5982 N N . ALA D 4 55 ? -1.843 39.667 39.929 1.00 74.04 ? 55 ALA L N 1 ATOM 5983 C CA . ALA D 4 55 ? -0.422 39.832 40.218 1.00 72.67 ? 55 ALA L CA 1 ATOM 5984 C C . ALA D 4 55 ? -0.085 41.209 40.779 1.00 81.93 ? 55 ALA L C 1 ATOM 5985 O O . ALA D 4 55 ? -0.920 42.114 40.790 1.00 86.87 ? 55 ALA L O 1 ATOM 5986 C CB . ALA D 4 55 ? 0.412 39.543 38.975 1.00 62.16 ? 55 ALA L CB 1 ATOM 5987 N N . THR D 4 56 ? 1.152 41.355 41.241 1.00 76.45 ? 56 THR L N 1 ATOM 5988 C CA . THR D 4 56 ? 1.599 42.591 41.869 1.00 75.42 ? 56 THR L CA 1 ATOM 5989 C C . THR D 4 56 ? 1.763 43.709 40.848 1.00 72.57 ? 56 THR L C 1 ATOM 5990 O O . THR D 4 56 ? 2.367 43.516 39.793 1.00 74.70 ? 56 THR L O 1 ATOM 5991 C CB . THR D 4 56 ? 2.936 42.388 42.604 1.00 79.21 ? 56 THR L CB 1 ATOM 5992 O OG1 . THR D 4 56 ? 3.172 40.987 42.793 1.00 86.03 ? 56 THR L OG1 1 ATOM 5993 C CG2 . THR D 4 56 ? 2.915 43.087 43.958 1.00 74.18 ? 56 THR L CG2 1 ATOM 5994 N N . GLY D 4 57 ? 1.222 44.880 41.169 1.00 78.53 ? 57 GLY L N 1 ATOM 5995 C CA . GLY D 4 57 ? 1.381 46.052 40.326 1.00 86.73 ? 57 GLY L CA 1 ATOM 5996 C C . GLY D 4 57 ? 0.263 46.205 39.317 1.00 86.33 ? 57 GLY L C 1 ATOM 5997 O O . GLY D 4 57 ? 0.230 47.166 38.548 1.00 81.43 ? 57 GLY L O 1 ATOM 5998 N N . ILE D 4 58 ? -0.658 45.249 39.324 1.00 83.10 ? 58 ILE L N 1 ATOM 5999 C CA . ILE D 4 58 ? -1.777 45.256 38.396 1.00 81.08 ? 58 ILE L CA 1 ATOM 6000 C C . ILE D 4 58 ? -2.966 46.020 38.968 1.00 84.04 ? 58 ILE L C 1 ATOM 6001 O O . ILE D 4 58 ? -3.450 45.701 40.054 1.00 78.18 ? 58 ILE L O 1 ATOM 6002 C CB . ILE D 4 58 ? -2.212 43.825 38.042 1.00 75.26 ? 58 ILE L CB 1 ATOM 6003 C CG1 . ILE D 4 58 ? -1.051 43.061 37.407 1.00 71.23 ? 58 ILE L CG1 1 ATOM 6004 C CG2 . ILE D 4 58 ? -3.404 43.845 37.107 1.00 72.60 ? 58 ILE L CG2 1 ATOM 6005 C CD1 . ILE D 4 58 ? -0.502 43.720 36.162 1.00 66.44 ? 58 ILE L CD1 1 ATOM 6006 N N . PRO D 4 59 ? -3.433 47.042 38.233 1.00 89.10 ? 59 PRO L N 1 ATOM 6007 C CA . PRO D 4 59 ? -4.618 47.836 38.579 1.00 92.45 ? 59 PRO L CA 1 ATOM 6008 C C . PRO D 4 59 ? -5.860 46.962 38.734 1.00 93.81 ? 59 PRO L C 1 ATOM 6009 O O . PRO D 4 59 ? -5.893 45.836 38.238 1.00 94.91 ? 59 PRO L O 1 ATOM 6010 C CB . PRO D 4 59 ? -4.771 48.773 37.378 1.00 96.34 ? 59 PRO L CB 1 ATOM 6011 C CG . PRO D 4 59 ? -3.390 48.903 36.836 1.00 96.12 ? 59 PRO L CG 1 ATOM 6012 C CD . PRO D 4 59 ? -2.761 47.556 37.028 1.00 89.53 ? 59 PRO L CD 1 ATOM 6013 N N . ALA D 4 60 ? -6.875 47.491 39.410 1.00 87.88 ? 60 ALA L N 1 ATOM 6014 C CA . ALA D 4 60 ? -8.022 46.692 39.839 1.00 79.29 ? 60 ALA L CA 1 ATOM 6015 C C . ALA D 4 60 ? -9.177 46.634 38.836 1.00 79.86 ? 60 ALA L C 1 ATOM 6016 O O . ALA D 4 60 ? -10.241 46.096 39.146 1.00 78.68 ? 60 ALA L O 1 ATOM 6017 C CB . ALA D 4 60 ? -8.517 47.170 41.193 1.00 70.80 ? 60 ALA L CB 1 ATOM 6018 N N . ARG D 4 61 ? -8.976 47.191 37.644 1.00 78.21 ? 61 ARG L N 1 ATOM 6019 C CA . ARG D 4 61 ? -9.972 47.072 36.585 1.00 86.30 ? 61 ARG L CA 1 ATOM 6020 C C . ARG D 4 61 ? -10.038 45.619 36.132 1.00 88.51 ? 61 ARG L C 1 ATOM 6021 O O . ARG D 4 61 ? -11.094 45.120 35.741 1.00 90.36 ? 61 ARG L O 1 ATOM 6022 C CB . ARG D 4 61 ? -9.611 47.957 35.392 1.00 90.65 ? 61 ARG L CB 1 ATOM 6023 C CG . ARG D 4 61 ? -8.661 49.094 35.712 1.00 92.01 ? 61 ARG L CG 1 ATOM 6024 C CD . ARG D 4 61 ? -7.907 49.528 34.462 1.00 88.14 ? 61 ARG L CD 1 ATOM 6025 N NE . ARG D 4 61 ? -6.645 50.188 34.788 1.00 88.88 ? 61 ARG L NE 1 ATOM 6026 C CZ . ARG D 4 61 ? -5.730 50.537 33.889 1.00 82.79 ? 61 ARG L CZ 1 ATOM 6027 N NH1 . ARG D 4 61 ? -5.933 50.287 32.604 1.00 74.94 ? 61 ARG L NH1 1 ATOM 6028 N NH2 . ARG D 4 61 ? -4.611 51.134 34.276 1.00 84.47 ? 61 ARG L NH2 1 ATOM 6029 N N . PHE D 4 62 ? -8.891 44.947 36.191 1.00 81.63 ? 62 PHE L N 1 ATOM 6030 C CA . PHE D 4 62 ? -8.763 43.569 35.736 1.00 81.05 ? 62 PHE L CA 1 ATOM 6031 C C . PHE D 4 62 ? -9.256 42.585 36.793 1.00 83.65 ? 62 PHE L C 1 ATOM 6032 O O . PHE D 4 62 ? -8.734 42.545 37.906 1.00 83.24 ? 62 PHE L O 1 ATOM 6033 C CB . PHE D 4 62 ? -7.304 43.273 35.384 1.00 83.37 ? 62 PHE L CB 1 ATOM 6034 C CG . PHE D 4 62 ? -6.731 44.195 34.344 1.00 85.25 ? 62 PHE L CG 1 ATOM 6035 C CD1 . PHE D 4 62 ? -7.399 44.419 33.153 1.00 82.89 ? 62 PHE L CD1 1 ATOM 6036 C CD2 . PHE D 4 62 ? -5.528 44.847 34.562 1.00 83.00 ? 62 PHE L CD2 1 ATOM 6037 C CE1 . PHE D 4 62 ? -6.874 45.268 32.198 1.00 78.36 ? 62 PHE L CE1 1 ATOM 6038 C CE2 . PHE D 4 62 ? -4.998 45.698 33.611 1.00 76.49 ? 62 PHE L CE2 1 ATOM 6039 C CZ . PHE D 4 62 ? -5.672 45.908 32.427 1.00 74.53 ? 62 PHE L CZ 1 ATOM 6040 N N . SER D 4 63 ? -10.261 41.790 36.436 1.00 93.95 ? 63 SER L N 1 ATOM 6041 C CA . SER D 4 63 ? -10.846 40.827 37.364 1.00 95.46 ? 63 SER L CA 1 ATOM 6042 C C . SER D 4 63 ? -11.055 39.458 36.722 1.00 93.72 ? 63 SER L C 1 ATOM 6043 O O . SER D 4 63 ? -11.820 39.317 35.769 1.00 98.91 ? 63 SER L O 1 ATOM 6044 C CB . SER D 4 63 ? -12.174 41.350 37.914 1.00 99.78 ? 63 SER L CB 1 ATOM 6045 O OG . SER D 4 63 ? -12.820 40.365 38.702 1.00 106.87 ? 63 SER L OG 1 ATOM 6046 N N . GLY D 4 64 ? -10.373 38.451 37.258 1.00 87.74 ? 64 GLY L N 1 ATOM 6047 C CA . GLY D 4 64 ? -10.503 37.092 36.767 1.00 86.16 ? 64 GLY L CA 1 ATOM 6048 C C . GLY D 4 64 ? -11.649 36.359 37.435 1.00 84.07 ? 64 GLY L C 1 ATOM 6049 O O . GLY D 4 64 ? -12.075 36.727 38.530 1.00 89.57 ? 64 GLY L O 1 ATOM 6050 N N . SER D 4 65 ? -12.143 35.313 36.778 1.00 71.70 ? 65 SER L N 1 ATOM 6051 C CA . SER D 4 65 ? -13.280 34.552 37.288 1.00 69.33 ? 65 SER L CA 1 ATOM 6052 C C . SER D 4 65 ? -13.406 33.184 36.627 1.00 70.03 ? 65 SER L C 1 ATOM 6053 O O . SER D 4 65 ? -12.952 32.983 35.502 1.00 76.09 ? 65 SER L O 1 ATOM 6054 C CB . SER D 4 65 ? -14.577 35.335 37.080 1.00 75.95 ? 65 SER L CB 1 ATOM 6055 O OG . SER D 4 65 ? -15.708 34.497 37.247 1.00 81.91 ? 65 SER L OG 1 ATOM 6056 N N . GLY D 4 66 ? -14.030 32.248 37.335 1.00 71.88 ? 66 GLY L N 1 ATOM 6057 C CA . GLY D 4 66 ? -14.343 30.949 36.768 1.00 72.16 ? 66 GLY L CA 1 ATOM 6058 C C . GLY D 4 66 ? -13.534 29.800 37.335 1.00 71.20 ? 66 GLY L C 1 ATOM 6059 O O . GLY D 4 66 ? -12.541 30.002 38.031 1.00 67.38 ? 66 GLY L O 1 ATOM 6060 N N . SER D 4 67 ? -13.975 28.583 37.032 1.00 82.65 ? 67 SER L N 1 ATOM 6061 C CA . SER D 4 67 ? -13.265 27.373 37.426 1.00 84.68 ? 67 SER L CA 1 ATOM 6062 C C . SER D 4 67 ? -13.707 26.206 36.554 1.00 86.47 ? 67 SER L C 1 ATOM 6063 O O . SER D 4 67 ? -14.815 26.209 36.017 1.00 94.10 ? 67 SER L O 1 ATOM 6064 C CB . SER D 4 67 ? -13.520 27.045 38.897 1.00 86.89 ? 67 SER L CB 1 ATOM 6065 O OG . SER D 4 67 ? -12.848 25.853 39.269 1.00 90.55 ? 67 SER L OG 1 ATOM 6066 N N . GLY D 4 68 ? -12.841 25.210 36.414 1.00 68.86 ? 68 GLY L N 1 ATOM 6067 C CA . GLY D 4 68 ? -13.161 24.037 35.623 1.00 72.09 ? 68 GLY L CA 1 ATOM 6068 C C . GLY D 4 68 ? -12.839 24.209 34.152 1.00 80.63 ? 68 GLY L C 1 ATOM 6069 O O . GLY D 4 68 ? -11.681 24.393 33.780 1.00 89.33 ? 68 GLY L O 1 ATOM 6070 N N . THR D 4 69 ? -13.866 24.149 33.310 1.00 73.49 ? 69 THR L N 1 ATOM 6071 C CA . THR D 4 69 ? -13.663 24.226 31.866 1.00 72.10 ? 69 THR L CA 1 ATOM 6072 C C . THR D 4 69 ? -13.777 25.647 31.313 1.00 64.73 ? 69 THR L C 1 ATOM 6073 O O . THR D 4 69 ? -13.085 26.002 30.360 1.00 53.75 ? 69 THR L O 1 ATOM 6074 C CB . THR D 4 69 ? -14.622 23.287 31.101 1.00 81.76 ? 69 THR L CB 1 ATOM 6075 O OG1 . THR D 4 69 ? -15.927 23.343 31.691 1.00 94.12 ? 69 THR L OG1 1 ATOM 6076 C CG2 . THR D 4 69 ? -14.114 21.856 31.153 1.00 76.28 ? 69 THR L CG2 1 ATOM 6077 N N . GLU D 4 70 ? -14.646 26.454 31.917 1.00 84.88 ? 70 GLU L N 1 ATOM 6078 C CA . GLU D 4 70 ? -14.886 27.819 31.452 1.00 81.09 ? 70 GLU L CA 1 ATOM 6079 C C . GLU D 4 70 ? -14.377 28.872 32.432 1.00 81.92 ? 70 GLU L C 1 ATOM 6080 O O . GLU D 4 70 ? -14.653 28.807 33.630 1.00 91.16 ? 70 GLU L O 1 ATOM 6081 C CB . GLU D 4 70 ? -16.377 28.046 31.189 1.00 81.49 ? 70 GLU L CB 1 ATOM 6082 C CG . GLU D 4 70 ? -16.795 27.918 29.733 1.00 90.05 ? 70 GLU L CG 1 ATOM 6083 C CD . GLU D 4 70 ? -17.221 26.511 29.359 1.00 105.18 ? 70 GLU L CD 1 ATOM 6084 O OE1 . GLU D 4 70 ? -17.774 26.336 28.252 1.00 117.01 ? 70 GLU L OE1 1 ATOM 6085 O OE2 . GLU D 4 70 ? -17.008 25.582 30.167 1.00 102.06 ? 70 GLU L OE2 1 ATOM 6086 N N . PHE D 4 71 ? -13.643 29.848 31.908 1.00 66.71 ? 71 PHE L N 1 ATOM 6087 C CA . PHE D 4 71 ? -13.119 30.945 32.712 1.00 68.98 ? 71 PHE L CA 1 ATOM 6088 C C . PHE D 4 71 ? -13.538 32.273 32.101 1.00 82.77 ? 71 PHE L C 1 ATOM 6089 O O . PHE D 4 71 ? -14.231 32.302 31.084 1.00 92.84 ? 71 PHE L O 1 ATOM 6090 C CB . PHE D 4 71 ? -11.595 30.871 32.792 1.00 64.89 ? 71 PHE L CB 1 ATOM 6091 C CG . PHE D 4 71 ? -11.082 29.639 33.479 1.00 69.50 ? 71 PHE L CG 1 ATOM 6092 C CD1 . PHE D 4 71 ? -10.895 28.462 32.773 1.00 67.04 ? 71 PHE L CD1 1 ATOM 6093 C CD2 . PHE D 4 71 ? -10.777 29.662 34.828 1.00 74.57 ? 71 PHE L CD2 1 ATOM 6094 C CE1 . PHE D 4 71 ? -10.421 27.331 33.402 1.00 65.66 ? 71 PHE L CE1 1 ATOM 6095 C CE2 . PHE D 4 71 ? -10.301 28.533 35.463 1.00 74.99 ? 71 PHE L CE2 1 ATOM 6096 C CZ . PHE D 4 71 ? -10.122 27.366 34.748 1.00 70.05 ? 71 PHE L CZ 1 ATOM 6097 N N . THR D 4 72 ? -13.109 33.372 32.713 1.00 87.17 ? 72 THR L N 1 ATOM 6098 C CA . THR D 4 72 ? -13.492 34.691 32.228 1.00 85.07 ? 72 THR L CA 1 ATOM 6099 C C . THR D 4 72 ? -12.552 35.795 32.718 1.00 83.04 ? 72 THR L C 1 ATOM 6100 O O . THR D 4 72 ? -11.973 35.701 33.801 1.00 83.45 ? 72 THR L O 1 ATOM 6101 C CB . THR D 4 72 ? -14.970 35.008 32.585 1.00 65.39 ? 72 THR L CB 1 ATOM 6102 O OG1 . THR D 4 72 ? -15.683 35.364 31.395 1.00 61.11 ? 72 THR L OG1 1 ATOM 6103 C CG2 . THR D 4 72 ? -15.079 36.136 33.606 1.00 72.27 ? 72 THR L CG2 1 ATOM 6104 N N . LEU D 4 73 ? -12.389 36.827 31.896 1.00 82.63 ? 73 LEU L N 1 ATOM 6105 C CA . LEU D 4 73 ? -11.596 37.995 32.261 1.00 81.26 ? 73 LEU L CA 1 ATOM 6106 C C . LEU D 4 73 ? -12.446 39.250 32.111 1.00 93.84 ? 73 LEU L C 1 ATOM 6107 O O . LEU D 4 73 ? -13.145 39.419 31.112 1.00 98.57 ? 73 LEU L O 1 ATOM 6108 C CB . LEU D 4 73 ? -10.347 38.096 31.384 1.00 66.80 ? 73 LEU L CB 1 ATOM 6109 C CG . LEU D 4 73 ? -9.436 39.298 31.640 1.00 62.40 ? 73 LEU L CG 1 ATOM 6110 C CD1 . LEU D 4 73 ? -8.946 39.307 33.079 1.00 68.57 ? 73 LEU L CD1 1 ATOM 6111 C CD2 . LEU D 4 73 ? -8.261 39.311 30.674 1.00 57.29 ? 73 LEU L CD2 1 ATOM 6112 N N . THR D 4 74 ? -12.385 40.129 33.103 1.00 91.23 ? 74 THR L N 1 ATOM 6113 C CA . THR D 4 74 ? -13.227 41.317 33.113 1.00 88.12 ? 74 THR L CA 1 ATOM 6114 C C . THR D 4 74 ? -12.417 42.597 33.300 1.00 92.65 ? 74 THR L C 1 ATOM 6115 O O . THR D 4 74 ? -11.582 42.689 34.200 1.00 97.96 ? 74 THR L O 1 ATOM 6116 C CB . THR D 4 74 ? -14.327 41.208 34.200 1.00 96.33 ? 74 THR L CB 1 ATOM 6117 O OG1 . THR D 4 74 ? -15.457 40.508 33.664 1.00 97.85 ? 74 THR L OG1 1 ATOM 6118 C CG2 . THR D 4 74 ? -14.774 42.582 34.673 1.00 98.80 ? 74 THR L CG2 1 ATOM 6119 N N . ILE D 4 75 ? -12.652 43.570 32.425 1.00 97.05 ? 75 ILE L N 1 ATOM 6120 C CA . ILE D 4 75 ? -12.084 44.903 32.582 1.00 92.17 ? 75 ILE L CA 1 ATOM 6121 C C . ILE D 4 75 ? -13.222 45.914 32.666 1.00 93.89 ? 75 ILE L C 1 ATOM 6122 O O . ILE D 4 75 ? -13.933 46.143 31.683 1.00 88.13 ? 75 ILE L O 1 ATOM 6123 C CB . ILE D 4 75 ? -11.165 45.281 31.407 1.00 79.77 ? 75 ILE L CB 1 ATOM 6124 C CG1 . ILE D 4 75 ? -10.246 44.114 31.042 1.00 71.15 ? 75 ILE L CG1 1 ATOM 6125 C CG2 . ILE D 4 75 ? -10.352 46.520 31.747 1.00 81.11 ? 75 ILE L CG2 1 ATOM 6126 C CD1 . ILE D 4 75 ? -9.365 44.389 29.841 1.00 70.22 ? 75 ILE L CD1 1 ATOM 6127 N N . THR D 4 76 ? -13.391 46.514 33.841 1.00 117.31 ? 76 THR L N 1 ATOM 6128 C CA . THR D 4 76 ? -14.529 47.393 34.107 1.00 125.42 ? 76 THR L CA 1 ATOM 6129 C C . THR D 4 76 ? -14.561 48.626 33.208 1.00 134.71 ? 76 THR L C 1 ATOM 6130 O O . THR D 4 76 ? -15.471 48.790 32.395 1.00 143.36 ? 76 THR L O 1 ATOM 6131 C CB . THR D 4 76 ? -14.558 47.841 35.581 1.00 125.41 ? 76 THR L CB 1 ATOM 6132 O OG1 . THR D 4 76 ? -13.284 48.398 35.930 1.00 123.31 ? 76 THR L OG1 1 ATOM 6133 C CG2 . THR D 4 76 ? -14.853 46.658 36.488 1.00 125.17 ? 76 THR L CG2 1 ATOM 6134 N N . SER D 4 77 ? -13.567 49.494 33.361 1.00 136.75 ? 77 SER L N 1 ATOM 6135 C CA . SER D 4 77 ? -13.450 50.663 32.502 1.00 130.16 ? 77 SER L CA 1 ATOM 6136 C C . SER D 4 77 ? -12.137 50.596 31.742 1.00 126.79 ? 77 SER L C 1 ATOM 6137 O O . SER D 4 77 ? -11.062 50.624 32.342 1.00 136.62 ? 77 SER L O 1 ATOM 6138 C CB . SER D 4 77 ? -13.528 51.954 33.318 1.00 124.35 ? 77 SER L CB 1 ATOM 6139 O OG . SER D 4 77 ? -12.390 52.105 34.147 1.00 119.85 ? 77 SER L OG 1 ATOM 6140 N N . LEU D 4 78 ? -12.230 50.496 30.421 1.00 99.62 ? 78 LEU L N 1 ATOM 6141 C CA . LEU D 4 78 ? -11.044 50.397 29.578 1.00 94.65 ? 78 LEU L CA 1 ATOM 6142 C C . LEU D 4 78 ? -10.187 51.652 29.652 1.00 96.25 ? 78 LEU L C 1 ATOM 6143 O O . LEU D 4 78 ? -10.599 52.670 30.209 1.00 97.93 ? 78 LEU L O 1 ATOM 6144 C CB . LEU D 4 78 ? -11.427 50.113 28.125 1.00 90.63 ? 78 LEU L CB 1 ATOM 6145 C CG . LEU D 4 78 ? -11.669 48.651 27.751 1.00 80.64 ? 78 LEU L CG 1 ATOM 6146 C CD1 . LEU D 4 78 ? -11.803 48.515 26.247 1.00 74.89 ? 78 LEU L CD1 1 ATOM 6147 C CD2 . LEU D 4 78 ? -10.545 47.770 28.268 1.00 68.99 ? 78 LEU L CD2 1 ATOM 6148 N N . GLN D 4 79 ? -8.993 51.569 29.076 1.00 97.84 ? 79 GLN L N 1 ATOM 6149 C CA . GLN D 4 79 ? -8.054 52.678 29.109 1.00 101.79 ? 79 GLN L CA 1 ATOM 6150 C C . GLN D 4 79 ? -7.241 52.737 27.821 1.00 106.73 ? 79 GLN L C 1 ATOM 6151 O O . GLN D 4 79 ? -7.527 52.024 26.857 1.00 102.38 ? 79 GLN L O 1 ATOM 6152 C CB . GLN D 4 79 ? -7.116 52.538 30.308 1.00 96.03 ? 79 GLN L CB 1 ATOM 6153 C CG . GLN D 4 79 ? -6.826 53.838 31.037 1.00 90.38 ? 79 GLN L CG 1 ATOM 6154 C CD . GLN D 4 79 ? -7.339 53.827 32.465 1.00 89.66 ? 79 GLN L CD 1 ATOM 6155 O OE1 . GLN D 4 79 ? -8.410 53.288 32.748 1.00 91.15 ? 79 GLN L OE1 1 ATOM 6156 N NE2 . GLN D 4 79 ? -6.571 54.416 33.374 1.00 85.59 ? 79 GLN L NE2 1 ATOM 6157 N N . SER D 4 80 ? -6.229 53.596 27.818 1.00 112.83 ? 80 SER L N 1 ATOM 6158 C CA . SER D 4 80 ? -5.359 53.760 26.666 1.00 115.79 ? 80 SER L CA 1 ATOM 6159 C C . SER D 4 80 ? -4.541 52.500 26.430 1.00 124.44 ? 80 SER L C 1 ATOM 6160 O O . SER D 4 80 ? -4.486 51.977 25.316 1.00 130.73 ? 80 SER L O 1 ATOM 6161 C CB . SER D 4 80 ? -4.416 54.942 26.886 1.00 118.44 ? 80 SER L CB 1 ATOM 6162 O OG . SER D 4 80 ? -5.110 56.054 27.422 1.00 122.55 ? 80 SER L OG 1 ATOM 6163 N N . GLU D 4 81 ? -3.908 52.014 27.492 1.00 130.42 ? 81 GLU L N 1 ATOM 6164 C CA . GLU D 4 81 ? -2.965 50.908 27.390 1.00 128.01 ? 81 GLU L CA 1 ATOM 6165 C C . GLU D 4 81 ? -3.665 49.556 27.296 1.00 116.82 ? 81 GLU L C 1 ATOM 6166 O O . GLU D 4 81 ? -3.023 48.531 27.065 1.00 118.25 ? 81 GLU L O 1 ATOM 6167 C CB . GLU D 4 81 ? -2.016 50.917 28.594 1.00 130.10 ? 81 GLU L CB 1 ATOM 6168 C CG . GLU D 4 81 ? -0.544 51.065 28.241 1.00 131.19 ? 81 GLU L CG 1 ATOM 6169 C CD . GLU D 4 81 ? -0.185 52.456 27.748 1.00 132.65 ? 81 GLU L CD 1 ATOM 6170 O OE1 . GLU D 4 81 ? -0.982 53.394 27.965 1.00 139.16 ? 81 GLU L OE1 1 ATOM 6171 O OE2 . GLU D 4 81 ? 0.897 52.609 27.141 1.00 124.77 ? 81 GLU L OE2 1 ATOM 6172 N N . ASP D 4 82 ? -4.982 49.561 27.469 1.00 98.99 ? 82 ASP L N 1 ATOM 6173 C CA . ASP D 4 82 ? -5.742 48.323 27.617 1.00 95.90 ? 82 ASP L CA 1 ATOM 6174 C C . ASP D 4 82 ? -6.151 47.668 26.297 1.00 87.88 ? 82 ASP L C 1 ATOM 6175 O O . ASP D 4 82 ? -6.821 46.637 26.293 1.00 82.67 ? 82 ASP L O 1 ATOM 6176 C CB . ASP D 4 82 ? -6.968 48.560 28.500 1.00 103.89 ? 82 ASP L CB 1 ATOM 6177 C CG . ASP D 4 82 ? -6.597 48.804 29.950 1.00 110.84 ? 82 ASP L CG 1 ATOM 6178 O OD1 . ASP D 4 82 ? -5.424 49.149 30.213 1.00 110.91 ? 82 ASP L OD1 1 ATOM 6179 O OD2 . ASP D 4 82 ? -7.473 48.648 30.828 1.00 115.59 ? 82 ASP L OD2 1 ATOM 6180 N N . PHE D 4 83 ? -5.745 48.264 25.181 1.00 96.51 ? 83 PHE L N 1 ATOM 6181 C CA . PHE D 4 83 ? -6.007 47.673 23.872 1.00 96.53 ? 83 PHE L CA 1 ATOM 6182 C C . PHE D 4 83 ? -4.809 46.864 23.394 1.00 88.93 ? 83 PHE L C 1 ATOM 6183 O O . PHE D 4 83 ? -3.845 47.418 22.864 1.00 93.21 ? 83 PHE L O 1 ATOM 6184 C CB . PHE D 4 83 ? -6.359 48.752 22.846 1.00 99.11 ? 83 PHE L CB 1 ATOM 6185 C CG . PHE D 4 83 ? -7.677 49.423 23.104 1.00 101.26 ? 83 PHE L CG 1 ATOM 6186 C CD1 . PHE D 4 83 ? -8.862 48.832 22.697 1.00 100.74 ? 83 PHE L CD1 1 ATOM 6187 C CD2 . PHE D 4 83 ? -7.732 50.645 23.754 1.00 96.56 ? 83 PHE L CD2 1 ATOM 6188 C CE1 . PHE D 4 83 ? -10.078 49.446 22.934 1.00 96.87 ? 83 PHE L CE1 1 ATOM 6189 C CE2 . PHE D 4 83 ? -8.944 51.264 23.994 1.00 92.19 ? 83 PHE L CE2 1 ATOM 6190 C CZ . PHE D 4 83 ? -10.119 50.664 23.584 1.00 91.87 ? 83 PHE L CZ 1 ATOM 6191 N N . ALA D 4 84 ? -4.877 45.549 23.583 1.00 77.27 ? 84 ALA L N 1 ATOM 6192 C CA . ALA D 4 84 ? -3.768 44.673 23.230 1.00 76.25 ? 84 ALA L CA 1 ATOM 6193 C C . ALA D 4 84 ? -4.218 43.230 23.039 1.00 76.18 ? 84 ALA L C 1 ATOM 6194 O O . ALA D 4 84 ? -5.374 42.965 22.713 1.00 84.38 ? 84 ALA L O 1 ATOM 6195 C CB . ALA D 4 84 ? -2.687 44.744 24.299 1.00 69.44 ? 84 ALA L CB 1 ATOM 6196 N N . VAL D 4 85 ? -3.289 42.301 23.239 1.00 56.84 ? 85 VAL L N 1 ATOM 6197 C CA . VAL D 4 85 ? -3.567 40.882 23.087 1.00 56.12 ? 85 VAL L CA 1 ATOM 6198 C C . VAL D 4 85 ? -3.571 40.205 24.453 1.00 57.93 ? 85 VAL L C 1 ATOM 6199 O O . VAL D 4 85 ? -2.722 40.494 25.296 1.00 57.46 ? 85 VAL L O 1 ATOM 6200 C CB . VAL D 4 85 ? -2.504 40.205 22.203 1.00 60.06 ? 85 VAL L CB 1 ATOM 6201 C CG1 . VAL D 4 85 ? -3.092 38.989 21.498 1.00 58.23 ? 85 VAL L CG1 1 ATOM 6202 C CG2 . VAL D 4 85 ? -1.954 41.191 21.190 1.00 55.47 ? 85 VAL L CG2 1 ATOM 6203 N N . TYR D 4 86 ? -4.521 39.298 24.666 1.00 62.58 ? 86 TYR L N 1 ATOM 6204 C CA . TYR D 4 86 ? -4.643 38.603 25.945 1.00 61.97 ? 86 TYR L CA 1 ATOM 6205 C C . TYR D 4 86 ? -4.644 37.084 25.786 1.00 49.96 ? 86 TYR L C 1 ATOM 6206 O O . TYR D 4 86 ? -5.439 36.529 25.027 1.00 64.38 ? 86 TYR L O 1 ATOM 6207 C CB . TYR D 4 86 ? -5.909 39.048 26.679 1.00 65.17 ? 86 TYR L CB 1 ATOM 6208 C CG . TYR D 4 86 ? -5.924 40.516 27.041 1.00 66.52 ? 86 TYR L CG 1 ATOM 6209 C CD1 . TYR D 4 86 ? -5.201 40.990 28.128 1.00 63.36 ? 86 TYR L CD1 1 ATOM 6210 C CD2 . TYR D 4 86 ? -6.666 41.427 26.301 1.00 67.71 ? 86 TYR L CD2 1 ATOM 6211 C CE1 . TYR D 4 86 ? -5.212 42.329 28.465 1.00 67.12 ? 86 TYR L CE1 1 ATOM 6212 C CE2 . TYR D 4 86 ? -6.684 42.767 26.629 1.00 69.37 ? 86 TYR L CE2 1 ATOM 6213 C CZ . TYR D 4 86 ? -5.956 43.214 27.712 1.00 73.26 ? 86 TYR L CZ 1 ATOM 6214 O OH . TYR D 4 86 ? -5.972 44.550 28.041 1.00 76.60 ? 86 TYR L OH 1 ATOM 6215 N N . TYR D 4 87 ? -3.755 36.421 26.518 1.00 51.10 ? 87 TYR L N 1 ATOM 6216 C CA . TYR D 4 87 ? -3.622 34.968 26.457 1.00 61.57 ? 87 TYR L CA 1 ATOM 6217 C C . TYR D 4 87 ? -4.034 34.316 27.776 1.00 58.57 ? 87 TYR L C 1 ATOM 6218 O O . TYR D 4 87 ? -3.914 34.924 28.839 1.00 63.16 ? 87 TYR L O 1 ATOM 6219 C CB . TYR D 4 87 ? -2.174 34.582 26.136 1.00 61.63 ? 87 TYR L CB 1 ATOM 6220 C CG . TYR D 4 87 ? -1.637 35.149 24.842 1.00 55.05 ? 87 TYR L CG 1 ATOM 6221 C CD1 . TYR D 4 87 ? -1.980 34.586 23.621 1.00 56.68 ? 87 TYR L CD1 1 ATOM 6222 C CD2 . TYR D 4 87 ? -0.772 36.236 24.842 1.00 51.85 ? 87 TYR L CD2 1 ATOM 6223 C CE1 . TYR D 4 87 ? -1.488 35.094 22.434 1.00 60.91 ? 87 TYR L CE1 1 ATOM 6224 C CE2 . TYR D 4 87 ? -0.274 36.753 23.660 1.00 65.32 ? 87 TYR L CE2 1 ATOM 6225 C CZ . TYR D 4 87 ? -0.635 36.177 22.458 1.00 68.26 ? 87 TYR L CZ 1 ATOM 6226 O OH . TYR D 4 87 ? -0.143 36.686 21.278 1.00 70.36 ? 87 TYR L OH 1 ATOM 6227 N N . CYS D 4 88 ? -4.516 33.077 27.704 1.00 49.47 ? 88 CYS L N 1 ATOM 6228 C CA . CYS D 4 88 ? -4.784 32.291 28.905 1.00 47.13 ? 88 CYS L CA 1 ATOM 6229 C C . CYS D 4 88 ? -3.870 31.074 28.964 1.00 51.26 ? 88 CYS L C 1 ATOM 6230 O O . CYS D 4 88 ? -3.674 30.388 27.961 1.00 55.93 ? 88 CYS L O 1 ATOM 6231 C CB . CYS D 4 88 ? -6.252 31.856 28.979 1.00 47.95 ? 88 CYS L CB 1 ATOM 6232 S SG . CYS D 4 88 ? -6.851 30.845 27.592 1.00 90.67 ? 88 CYS L SG 1 ATOM 6233 N N . GLN D 4 89 ? -3.308 30.811 30.139 1.00 57.72 ? 89 GLN L N 1 ATOM 6234 C CA . GLN D 4 89 ? -2.442 29.651 30.318 1.00 57.91 ? 89 GLN L CA 1 ATOM 6235 C C . GLN D 4 89 ? -3.001 28.681 31.349 1.00 54.46 ? 89 GLN L C 1 ATOM 6236 O O . GLN D 4 89 ? -3.202 29.040 32.510 1.00 56.42 ? 89 GLN L O 1 ATOM 6237 C CB . GLN D 4 89 ? -1.036 30.080 30.740 1.00 54.62 ? 89 GLN L CB 1 ATOM 6238 C CG . GLN D 4 89 ? -0.155 28.922 31.178 1.00 53.17 ? 89 GLN L CG 1 ATOM 6239 C CD . GLN D 4 89 ? 0.921 29.349 32.158 1.00 59.52 ? 89 GLN L CD 1 ATOM 6240 O OE1 . GLN D 4 89 ? 1.175 30.539 32.339 1.00 61.70 ? 89 GLN L OE1 1 ATOM 6241 N NE2 . GLN D 4 89 ? 1.553 28.377 32.804 1.00 64.59 ? 89 GLN L NE2 1 ATOM 6242 N N . GLN D 4 90 ? -3.248 27.449 30.925 1.00 44.68 ? 90 GLN L N 1 ATOM 6243 C CA . GLN D 4 90 ? -3.617 26.410 31.870 1.00 51.85 ? 90 GLN L CA 1 ATOM 6244 C C . GLN D 4 90 ? -2.359 25.883 32.540 1.00 57.56 ? 90 GLN L C 1 ATOM 6245 O O . GLN D 4 90 ? -1.270 25.992 31.983 1.00 56.63 ? 90 GLN L O 1 ATOM 6246 C CB . GLN D 4 90 ? -4.374 25.279 31.171 1.00 50.64 ? 90 GLN L CB 1 ATOM 6247 C CG . GLN D 4 90 ? -3.553 24.460 30.182 1.00 52.58 ? 90 GLN L CG 1 ATOM 6248 C CD . GLN D 4 90 ? -2.772 23.334 30.837 1.00 51.85 ? 90 GLN L CD 1 ATOM 6249 O OE1 . GLN D 4 90 ? -3.110 22.881 31.930 1.00 43.24 ? 90 GLN L OE1 1 ATOM 6250 N NE2 . GLN D 4 90 ? -1.712 22.886 30.172 1.00 58.49 ? 90 GLN L NE2 1 ATOM 6251 N N . TYR D 4 91 ? -2.507 25.331 33.741 1.00 55.10 ? 91 TYR L N 1 ATOM 6252 C CA . TYR D 4 91 ? -1.424 24.582 34.381 1.00 52.94 ? 91 TYR L CA 1 ATOM 6253 C C . TYR D 4 91 ? -1.948 23.536 35.361 1.00 61.26 ? 91 TYR L C 1 ATOM 6254 O O . TYR D 4 91 ? -1.895 23.713 36.574 1.00 69.75 ? 91 TYR L O 1 ATOM 6255 C CB . TYR D 4 91 ? -0.352 25.489 35.019 1.00 44.45 ? 91 TYR L CB 1 ATOM 6256 C CG . TYR D 4 91 ? -0.829 26.558 35.984 1.00 59.73 ? 91 TYR L CG 1 ATOM 6257 C CD1 . TYR D 4 91 ? -0.609 26.435 37.351 1.00 60.46 ? 91 TYR L CD1 1 ATOM 6258 C CD2 . TYR D 4 91 ? -1.448 27.712 35.525 1.00 62.16 ? 91 TYR L CD2 1 ATOM 6259 C CE1 . TYR D 4 91 ? -1.022 27.417 38.235 1.00 56.17 ? 91 TYR L CE1 1 ATOM 6260 C CE2 . TYR D 4 91 ? -1.862 28.696 36.397 1.00 52.98 ? 91 TYR L CE2 1 ATOM 6261 C CZ . TYR D 4 91 ? -1.647 28.544 37.751 1.00 51.89 ? 91 TYR L CZ 1 ATOM 6262 O OH . TYR D 4 91 ? -2.058 29.521 38.626 1.00 55.42 ? 91 TYR L OH 1 ATOM 6263 N N . ASN D 4 92 ? -2.462 22.447 34.802 1.00 58.81 ? 92 ASN L N 1 ATOM 6264 C CA . ASN D 4 92 ? -2.887 21.295 35.575 1.00 62.66 ? 92 ASN L CA 1 ATOM 6265 C C . ASN D 4 92 ? -2.267 20.050 34.971 1.00 82.75 ? 92 ASN L C 1 ATOM 6266 O O . ASN D 4 92 ? -1.476 19.359 35.611 1.00 93.98 ? 92 ASN L O 1 ATOM 6267 C CB . ASN D 4 92 ? -4.409 21.167 35.569 1.00 56.75 ? 92 ASN L CB 1 ATOM 6268 C CG . ASN D 4 92 ? -5.020 21.382 36.942 1.00 71.32 ? 92 ASN L CG 1 ATOM 6269 O OD1 . ASN D 4 92 ? -4.507 22.157 37.750 1.00 78.40 ? 92 ASN L OD1 1 ATOM 6270 N ND2 . ASN D 4 92 ? -6.116 20.682 37.216 1.00 76.29 ? 92 ASN L ND2 1 ATOM 6271 N N . ASN D 4 93 ? -2.625 19.776 33.723 1.00 97.70 ? 93 ASN L N 1 ATOM 6272 C CA . ASN D 4 93 ? -2.033 18.665 32.995 1.00 103.12 ? 93 ASN L CA 1 ATOM 6273 C C . ASN D 4 93 ? -0.631 18.990 32.488 1.00 81.74 ? 93 ASN L C 1 ATOM 6274 O O . ASN D 4 93 ? -0.364 20.097 32.021 1.00 70.96 ? 93 ASN L O 1 ATOM 6275 C CB . ASN D 4 93 ? -2.934 18.240 31.833 1.00 119.96 ? 93 ASN L CB 1 ATOM 6276 C CG . ASN D 4 93 ? -4.239 17.625 32.302 1.00 132.02 ? 93 ASN L CG 1 ATOM 6277 O OD1 . ASN D 4 93 ? -4.437 16.414 32.205 1.00 135.06 ? 93 ASN L OD1 1 ATOM 6278 N ND2 . ASN D 4 93 ? -5.134 18.458 32.823 1.00 134.88 ? 93 ASN L ND2 1 ATOM 6279 N N . TRP D 4 94 ? 0.259 18.010 32.604 1.00 63.89 ? 94 TRP L N 1 ATOM 6280 C CA . TRP D 4 94 ? 1.606 18.097 32.062 1.00 57.33 ? 94 TRP L CA 1 ATOM 6281 C C . TRP D 4 94 ? 1.545 17.943 30.548 1.00 65.02 ? 94 TRP L C 1 ATOM 6282 O O . TRP D 4 94 ? 0.903 17.017 30.048 1.00 68.38 ? 94 TRP L O 1 ATOM 6283 C CB . TRP D 4 94 ? 2.468 16.993 32.681 1.00 58.72 ? 94 TRP L CB 1 ATOM 6284 C CG . TRP D 4 94 ? 3.754 16.704 31.968 1.00 55.62 ? 94 TRP L CG 1 ATOM 6285 C CD1 . TRP D 4 94 ? 4.002 15.671 31.109 1.00 51.19 ? 94 TRP L CD1 1 ATOM 6286 C CD2 . TRP D 4 94 ? 4.976 17.441 32.071 1.00 60.17 ? 94 TRP L CD2 1 ATOM 6287 N NE1 . TRP D 4 94 ? 5.299 15.726 30.664 1.00 54.87 ? 94 TRP L NE1 1 ATOM 6288 C CE2 . TRP D 4 94 ? 5.919 16.804 31.239 1.00 59.44 ? 94 TRP L CE2 1 ATOM 6289 C CE3 . TRP D 4 94 ? 5.362 18.580 32.781 1.00 70.29 ? 94 TRP L CE3 1 ATOM 6290 C CZ2 . TRP D 4 94 ? 7.225 17.270 31.099 1.00 68.52 ? 94 TRP L CZ2 1 ATOM 6291 C CZ3 . TRP D 4 94 ? 6.658 19.042 32.640 1.00 73.85 ? 94 TRP L CZ3 1 ATOM 6292 C CH2 . TRP D 4 94 ? 7.574 18.388 31.806 1.00 73.58 ? 94 TRP L CH2 1 ATOM 6293 N N . PRO D 4 95 ? 2.206 18.850 29.808 1.00 74.64 ? 95 PRO L N 1 ATOM 6294 C CA . PRO D 4 95 ? 2.970 20.006 30.293 1.00 77.33 ? 95 PRO L CA 1 ATOM 6295 C C . PRO D 4 95 ? 2.061 21.181 30.637 1.00 75.50 ? 95 PRO L C 1 ATOM 6296 O O . PRO D 4 95 ? 1.080 21.417 29.931 1.00 75.16 ? 95 PRO L O 1 ATOM 6297 C CB . PRO D 4 95 ? 3.850 20.376 29.093 1.00 76.31 ? 95 PRO L CB 1 ATOM 6298 C CG . PRO D 4 95 ? 3.693 19.258 28.101 1.00 75.54 ? 95 PRO L CG 1 ATOM 6299 C CD . PRO D 4 95 ? 2.342 18.688 28.354 1.00 73.18 ? 95 PRO L CD 1 ATOM 6300 N N . PRO D 4 96 A 2.393 21.921 31.707 1.00 63.15 ? 95 PRO L N 1 ATOM 6301 C CA . PRO D 4 96 A 1.562 23.019 32.204 1.00 55.13 ? 95 PRO L CA 1 ATOM 6302 C C . PRO D 4 96 A 1.836 24.336 31.487 1.00 53.38 ? 95 PRO L C 1 ATOM 6303 O O . PRO D 4 96 A 1.495 25.390 32.025 1.00 51.29 ? 95 PRO L O 1 ATOM 6304 C CB . PRO D 4 96 A 2.018 23.142 33.656 1.00 42.92 ? 95 PRO L CB 1 ATOM 6305 C CG . PRO D 4 96 A 3.467 22.820 33.583 1.00 37.81 ? 95 PRO L CG 1 ATOM 6306 C CD . PRO D 4 96 A 3.586 21.722 32.549 1.00 53.05 ? 95 PRO L CD 1 ATOM 6307 N N . TRP D 4 97 ? 2.443 24.288 30.307 1.00 53.39 ? 96 TRP L N 1 ATOM 6308 C CA . TRP D 4 97 ? 2.782 25.519 29.604 1.00 49.41 ? 96 TRP L CA 1 ATOM 6309 C C . TRP D 4 97 ? 2.156 25.582 28.218 1.00 48.39 ? 96 TRP L C 1 ATOM 6310 O O . TRP D 4 97 ? 2.721 26.156 27.284 1.00 45.05 ? 96 TRP L O 1 ATOM 6311 C CB . TRP D 4 97 ? 4.295 25.708 29.540 1.00 47.59 ? 96 TRP L CB 1 ATOM 6312 C CG . TRP D 4 97 ? 4.898 25.937 30.891 1.00 60.45 ? 96 TRP L CG 1 ATOM 6313 C CD1 . TRP D 4 97 ? 4.705 27.020 31.698 1.00 61.71 ? 96 TRP L CD1 1 ATOM 6314 C CD2 . TRP D 4 97 ? 5.789 25.064 31.598 1.00 57.15 ? 96 TRP L CD2 1 ATOM 6315 N NE1 . TRP D 4 97 ? 5.420 26.876 32.863 1.00 53.79 ? 96 TRP L NE1 1 ATOM 6316 C CE2 . TRP D 4 97 ? 6.095 25.686 32.825 1.00 47.30 ? 96 TRP L CE2 1 ATOM 6317 C CE3 . TRP D 4 97 ? 6.358 23.820 31.310 1.00 63.21 ? 96 TRP L CE3 1 ATOM 6318 C CZ2 . TRP D 4 97 ? 6.943 25.108 33.762 1.00 49.44 ? 96 TRP L CZ2 1 ATOM 6319 C CZ3 . TRP D 4 97 ? 7.202 23.247 32.245 1.00 72.59 ? 96 TRP L CZ3 1 ATOM 6320 C CH2 . TRP D 4 97 ? 7.486 23.892 33.455 1.00 67.60 ? 96 TRP L CH2 1 ATOM 6321 N N . THR D 4 98 ? 0.981 24.976 28.103 1.00 50.55 ? 97 THR L N 1 ATOM 6322 C CA . THR D 4 98 ? 0.157 25.093 26.914 1.00 45.68 ? 97 THR L CA 1 ATOM 6323 C C . THR D 4 98 ? -0.527 26.452 26.962 1.00 47.47 ? 97 THR L C 1 ATOM 6324 O O . THR D 4 98 ? -0.969 26.892 28.021 1.00 51.99 ? 97 THR L O 1 ATOM 6325 C CB . THR D 4 98 ? -0.894 23.969 26.870 1.00 50.97 ? 97 THR L CB 1 ATOM 6326 O OG1 . THR D 4 98 ? -0.231 22.698 26.877 1.00 60.26 ? 97 THR L OG1 1 ATOM 6327 C CG2 . THR D 4 98 ? -1.758 24.077 25.620 1.00 46.37 ? 97 THR L CG2 1 ATOM 6328 N N . PHE D 4 99 ? -0.593 27.124 25.820 1.00 55.26 ? 98 PHE L N 1 ATOM 6329 C CA . PHE D 4 99 ? -1.170 28.459 25.752 1.00 57.94 ? 98 PHE L CA 1 ATOM 6330 C C . PHE D 4 99 ? -2.412 28.490 24.874 1.00 67.67 ? 98 PHE L C 1 ATOM 6331 O O . PHE D 4 99 ? -2.679 27.553 24.122 1.00 71.97 ? 98 PHE L O 1 ATOM 6332 C CB . PHE D 4 99 ? -0.146 29.450 25.204 1.00 58.06 ? 98 PHE L CB 1 ATOM 6333 C CG . PHE D 4 99 ? 0.736 30.057 26.252 1.00 53.32 ? 98 PHE L CG 1 ATOM 6334 C CD1 . PHE D 4 99 ? 0.350 31.211 26.905 1.00 63.54 ? 98 PHE L CD1 1 ATOM 6335 C CD2 . PHE D 4 99 ? 1.955 29.485 26.574 1.00 53.99 ? 98 PHE L CD2 1 ATOM 6336 C CE1 . PHE D 4 99 ? 1.157 31.782 27.867 1.00 69.23 ? 98 PHE L CE1 1 ATOM 6337 C CE2 . PHE D 4 99 ? 2.770 30.052 27.536 1.00 53.10 ? 98 PHE L CE2 1 ATOM 6338 C CZ . PHE D 4 99 ? 2.370 31.202 28.184 1.00 61.05 ? 98 PHE L CZ 1 ATOM 6339 N N . GLY D 4 100 ? -3.168 29.578 24.975 1.00 41.33 ? 99 GLY L N 1 ATOM 6340 C CA . GLY D 4 100 ? -4.292 29.810 24.088 1.00 53.53 ? 99 GLY L CA 1 ATOM 6341 C C . GLY D 4 100 ? -3.846 30.698 22.946 1.00 51.60 ? 99 GLY L C 1 ATOM 6342 O O . GLY D 4 100 ? -2.833 31.388 23.061 1.00 45.25 ? 99 GLY L O 1 ATOM 6343 N N . GLN D 4 101 ? -4.593 30.685 21.846 1.00 75.28 ? 100 GLN L N 1 ATOM 6344 C CA . GLN D 4 101 ? -4.215 31.449 20.660 1.00 84.57 ? 100 GLN L CA 1 ATOM 6345 C C . GLN D 4 101 ? -4.241 32.944 20.944 1.00 75.78 ? 100 GLN L C 1 ATOM 6346 O O . GLN D 4 101 ? -3.427 33.701 20.414 1.00 71.32 ? 100 GLN L O 1 ATOM 6347 C CB . GLN D 4 101 ? -5.139 31.132 19.487 1.00 96.73 ? 100 GLN L CB 1 ATOM 6348 C CG . GLN D 4 101 ? -5.601 29.692 19.429 1.00 110.92 ? 100 GLN L CG 1 ATOM 6349 C CD . GLN D 4 101 ? -7.088 29.560 19.687 1.00 123.32 ? 100 GLN L CD 1 ATOM 6350 O OE1 . GLN D 4 101 ? -7.687 30.396 20.364 1.00 131.88 ? 100 GLN L OE1 1 ATOM 6351 N NE2 . GLN D 4 101 ? -7.694 28.512 19.140 1.00 122.20 ? 100 GLN L NE2 1 ATOM 6352 N N . GLY D 4 102 ? -5.182 33.364 21.783 1.00 72.81 ? 101 GLY L N 1 ATOM 6353 C CA . GLY D 4 102 ? -5.251 34.749 22.206 1.00 77.93 ? 101 GLY L CA 1 ATOM 6354 C C . GLY D 4 102 ? -6.449 35.500 21.662 1.00 71.36 ? 101 GLY L C 1 ATOM 6355 O O . GLY D 4 102 ? -7.068 35.084 20.682 1.00 60.95 ? 101 GLY L O 1 ATOM 6356 N N . THR D 4 103 ? -6.774 36.612 22.317 1.00 75.09 ? 102 THR L N 1 ATOM 6357 C CA . THR D 4 103 ? -7.857 37.487 21.888 1.00 78.29 ? 102 THR L CA 1 ATOM 6358 C C . THR D 4 103 ? -7.346 38.914 21.731 1.00 75.61 ? 102 THR L C 1 ATOM 6359 O O . THR D 4 103 ? -6.737 39.469 22.645 1.00 78.05 ? 102 THR L O 1 ATOM 6360 C CB . THR D 4 103 ? -9.022 37.484 22.896 1.00 82.09 ? 102 THR L CB 1 ATOM 6361 O OG1 . THR D 4 103 ? -9.608 36.178 22.954 1.00 88.84 ? 102 THR L OG1 1 ATOM 6362 C CG2 . THR D 4 103 ? -10.085 38.491 22.486 1.00 81.52 ? 102 THR L CG2 1 ATOM 6363 N N . LYS D 4 104 ? -7.596 39.504 20.567 1.00 69.02 ? 103 LYS L N 1 ATOM 6364 C CA . LYS D 4 104 ? -7.136 40.857 20.276 1.00 67.13 ? 103 LYS L CA 1 ATOM 6365 C C . LYS D 4 104 ? -8.253 41.874 20.485 1.00 69.01 ? 103 LYS L C 1 ATOM 6366 O O . LYS D 4 104 ? -9.295 41.800 19.833 1.00 78.29 ? 103 LYS L O 1 ATOM 6367 C CB . LYS D 4 104 ? -6.620 40.933 18.837 1.00 75.15 ? 103 LYS L CB 1 ATOM 6368 C CG . LYS D 4 104 ? -6.331 42.341 18.336 1.00 82.53 ? 103 LYS L CG 1 ATOM 6369 C CD . LYS D 4 104 ? -5.064 42.915 18.950 1.00 85.09 ? 103 LYS L CD 1 ATOM 6370 C CE . LYS D 4 104 ? -4.723 44.265 18.332 1.00 79.18 ? 103 LYS L CE 1 ATOM 6371 N NZ . LYS D 4 104 ? -3.469 44.845 18.892 1.00 74.85 ? 103 LYS L NZ 1 ATOM 6372 N N . VAL D 4 105 ? -8.039 42.821 21.395 1.00 63.02 ? 104 VAL L N 1 ATOM 6373 C CA . VAL D 4 105 ? -9.028 43.870 21.632 1.00 73.45 ? 104 VAL L CA 1 ATOM 6374 C C . VAL D 4 105 ? -8.655 45.186 20.943 1.00 79.93 ? 104 VAL L C 1 ATOM 6375 O O . VAL D 4 105 ? -7.555 45.713 21.123 1.00 71.37 ? 104 VAL L O 1 ATOM 6376 C CB . VAL D 4 105 ? -9.295 44.103 23.143 1.00 70.34 ? 104 VAL L CB 1 ATOM 6377 C CG1 . VAL D 4 105 ? -10.000 42.900 23.753 1.00 63.34 ? 104 VAL L CG1 1 ATOM 6378 C CG2 . VAL D 4 105 ? -8.005 44.397 23.884 1.00 72.69 ? 104 VAL L CG2 1 ATOM 6379 N N . ASP D 4 106 ? -9.583 45.701 20.143 1.00 93.71 ? 105 ASP L N 1 ATOM 6380 C CA . ASP D 4 106 ? -9.381 46.956 19.426 1.00 95.31 ? 105 ASP L CA 1 ATOM 6381 C C . ASP D 4 106 ? -10.447 47.990 19.782 1.00 89.98 ? 105 ASP L C 1 ATOM 6382 O O . ASP D 4 106 ? -11.386 47.695 20.521 1.00 82.99 ? 105 ASP L O 1 ATOM 6383 C CB . ASP D 4 106 ? -9.338 46.715 17.910 1.00 102.07 ? 105 ASP L CB 1 ATOM 6384 C CG . ASP D 4 106 ? -10.515 45.887 17.407 1.00 107.08 ? 105 ASP L CG 1 ATOM 6385 O OD1 . ASP D 4 106 ? -11.628 46.011 17.961 1.00 107.26 ? 105 ASP L OD1 1 ATOM 6386 O OD2 . ASP D 4 106 ? -10.324 45.109 16.447 1.00 108.62 ? 105 ASP L OD2 1 ATOM 6387 N N . ILE D 4 107 ? -10.295 49.199 19.249 1.00 81.93 ? 106 ILE L N 1 ATOM 6388 C CA . ILE D 4 107 ? -11.223 50.290 19.537 1.00 74.31 ? 106 ILE L CA 1 ATOM 6389 C C . ILE D 4 107 ? -12.502 50.184 18.711 1.00 77.36 ? 106 ILE L C 1 ATOM 6390 O O . ILE D 4 107 ? -12.457 50.188 17.483 1.00 83.38 ? 106 ILE L O 1 ATOM 6391 C CB . ILE D 4 107 ? -10.569 51.666 19.292 1.00 64.34 ? 106 ILE L CB 1 ATOM 6392 C CG1 . ILE D 4 107 ? -9.343 51.836 20.192 1.00 55.54 ? 106 ILE L CG1 1 ATOM 6393 C CG2 . ILE D 4 107 ? -11.572 52.787 19.530 1.00 62.89 ? 106 ILE L CG2 1 ATOM 6394 C CD1 . ILE D 4 107 ? -8.716 53.210 20.129 1.00 55.49 ? 106 ILE L CD1 1 ATOM 6395 N N . LYS D 4 108 ? -13.640 50.089 19.393 1.00 86.17 ? 107 LYS L N 1 ATOM 6396 C CA . LYS D 4 108 ? -14.934 50.000 18.721 1.00 87.43 ? 107 LYS L CA 1 ATOM 6397 C C . LYS D 4 108 ? -15.327 51.328 18.089 1.00 82.52 ? 107 LYS L C 1 ATOM 6398 O O . LYS D 4 108 ? -15.325 52.368 18.748 1.00 83.81 ? 107 LYS L O 1 ATOM 6399 C CB . LYS D 4 108 ? -16.025 49.540 19.698 1.00 91.85 ? 107 LYS L CB 1 ATOM 6400 C CG . LYS D 4 108 ? -17.454 49.613 19.151 1.00 95.17 ? 107 LYS L CG 1 ATOM 6401 C CD . LYS D 4 108 ? -17.645 48.735 17.920 1.00 95.08 ? 107 LYS L CD 1 ATOM 6402 C CE . LYS D 4 108 ? -19.112 48.633 17.525 1.00 94.28 ? 107 LYS L CE 1 ATOM 6403 N NZ . LYS D 4 108 ? -19.940 48.021 18.609 1.00 91.78 ? 107 LYS L NZ 1 ATOM 6404 N N . ARG D 4 109 ? -15.661 51.282 16.805 1.00 76.36 ? 108 ARG L N 1 ATOM 6405 C CA . ARG D 4 109 ? -16.188 52.443 16.102 1.00 76.24 ? 108 ARG L CA 1 ATOM 6406 C C . ARG D 4 109 ? -17.170 52.003 15.020 1.00 82.93 ? 108 ARG L C 1 ATOM 6407 O O . ARG D 4 109 ? -17.469 50.815 14.892 1.00 83.88 ? 108 ARG L O 1 ATOM 6408 C CB . ARG D 4 109 ? -15.059 53.274 15.494 1.00 63.32 ? 108 ARG L CB 1 ATOM 6409 C CG . ARG D 4 109 ? -14.065 52.467 14.686 1.00 59.86 ? 108 ARG L CG 1 ATOM 6410 C CD . ARG D 4 109 ? -13.563 53.260 13.497 1.00 61.43 ? 108 ARG L CD 1 ATOM 6411 N NE . ARG D 4 109 ? -14.585 53.395 12.463 1.00 61.76 ? 108 ARG L NE 1 ATOM 6412 C CZ . ARG D 4 109 ? -14.496 54.228 11.431 1.00 64.19 ? 108 ARG L CZ 1 ATOM 6413 N NH1 . ARG D 4 109 ? -13.431 55.010 11.301 1.00 66.09 ? 108 ARG L NH1 1 ATOM 6414 N NH2 . ARG D 4 109 ? -15.472 54.285 10.534 1.00 60.81 ? 108 ARG L NH2 1 ATOM 6415 N N . THR D 4 110 ? -17.667 52.963 14.247 1.00 83.79 ? 109 THR L N 1 ATOM 6416 C CA . THR D 4 110 ? -18.660 52.684 13.214 1.00 84.04 ? 109 THR L CA 1 ATOM 6417 C C . THR D 4 110 ? -18.104 51.742 12.151 1.00 89.48 ? 109 THR L C 1 ATOM 6418 O O . THR D 4 110 ? -16.923 51.808 11.810 1.00 90.82 ? 109 THR L O 1 ATOM 6419 C CB . THR D 4 110 ? -19.143 53.977 12.533 1.00 84.32 ? 109 THR L CB 1 ATOM 6420 O OG1 . THR D 4 110 ? -18.079 54.542 11.757 1.00 87.57 ? 109 THR L OG1 1 ATOM 6421 C CG2 . THR D 4 110 ? -19.599 54.988 13.574 1.00 82.02 ? 109 THR L CG2 1 ATOM 6422 N N . VAL D 4 111 ? -18.962 50.866 11.635 1.00 87.40 ? 110 VAL L N 1 ATOM 6423 C CA . VAL D 4 111 ? -18.556 49.902 10.616 1.00 81.18 ? 110 VAL L CA 1 ATOM 6424 C C . VAL D 4 111 ? -18.047 50.600 9.360 1.00 82.15 ? 110 VAL L C 1 ATOM 6425 O O . VAL D 4 111 ? -18.756 51.396 8.746 1.00 79.55 ? 110 VAL L O 1 ATOM 6426 C CB . VAL D 4 111 ? -19.710 48.954 10.242 1.00 75.03 ? 110 VAL L CB 1 ATOM 6427 C CG1 . VAL D 4 111 ? -19.326 48.095 9.045 1.00 65.70 ? 110 VAL L CG1 1 ATOM 6428 C CG2 . VAL D 4 111 ? -20.087 48.086 11.432 1.00 70.38 ? 110 VAL L CG2 1 ATOM 6429 N N . ALA D 4 112 ? -16.809 50.298 8.984 1.00 83.60 ? 111 ALA L N 1 ATOM 6430 C CA . ALA D 4 112 ? -16.194 50.946 7.834 1.00 85.14 ? 111 ALA L CA 1 ATOM 6431 C C . ALA D 4 112 ? -15.824 49.966 6.723 1.00 80.66 ? 111 ALA L C 1 ATOM 6432 O O . ALA D 4 112 ? -15.029 49.048 6.920 1.00 77.55 ? 111 ALA L O 1 ATOM 6433 C CB . ALA D 4 112 ? -14.980 51.753 8.263 1.00 89.16 ? 111 ALA L CB 1 ATOM 6434 N N . ALA D 4 113 ? -16.416 50.182 5.552 1.00 89.81 ? 112 ALA L N 1 ATOM 6435 C CA . ALA D 4 113 ? -16.090 49.424 4.352 1.00 89.77 ? 112 ALA L CA 1 ATOM 6436 C C . ALA D 4 113 ? -14.751 49.902 3.809 1.00 96.49 ? 112 ALA L C 1 ATOM 6437 O O . ALA D 4 113 ? -14.433 51.087 3.902 1.00 103.14 ? 112 ALA L O 1 ATOM 6438 C CB . ALA D 4 113 ? -17.175 49.613 3.312 1.00 93.53 ? 112 ALA L CB 1 ATOM 6439 N N . PRO D 4 114 ? -13.954 48.985 3.241 1.00 88.88 ? 113 PRO L N 1 ATOM 6440 C CA . PRO D 4 114 ? -12.685 49.430 2.663 1.00 82.82 ? 113 PRO L CA 1 ATOM 6441 C C . PRO D 4 114 ? -12.897 50.022 1.281 1.00 83.75 ? 113 PRO L C 1 ATOM 6442 O O . PRO D 4 114 ? -13.992 49.935 0.730 1.00 83.11 ? 113 PRO L O 1 ATOM 6443 C CB . PRO D 4 114 ? -11.892 48.131 2.543 1.00 79.82 ? 113 PRO L CB 1 ATOM 6444 C CG . PRO D 4 114 ? -12.931 47.097 2.321 1.00 79.54 ? 113 PRO L CG 1 ATOM 6445 C CD . PRO D 4 114 ? -14.117 47.523 3.152 1.00 86.24 ? 113 PRO L CD 1 ATOM 6446 N N . SER D 4 115 ? -11.848 50.624 0.737 1.00 81.58 ? 114 SER L N 1 ATOM 6447 C CA . SER D 4 115 ? -11.839 51.064 -0.648 1.00 80.16 ? 114 SER L CA 1 ATOM 6448 C C . SER D 4 115 ? -10.816 50.213 -1.390 1.00 81.76 ? 114 SER L C 1 ATOM 6449 O O . SER D 4 115 ? -9.617 50.292 -1.115 1.00 77.36 ? 114 SER L O 1 ATOM 6450 C CB . SER D 4 115 ? -11.473 52.545 -0.736 1.00 80.95 ? 114 SER L CB 1 ATOM 6451 O OG . SER D 4 115 ? -12.347 53.338 0.051 1.00 80.28 ? 114 SER L OG 1 ATOM 6452 N N . VAL D 4 116 ? -11.293 49.392 -2.321 1.00 80.55 ? 115 VAL L N 1 ATOM 6453 C CA . VAL D 4 116 ? -10.446 48.401 -2.978 1.00 71.38 ? 115 VAL L CA 1 ATOM 6454 C C . VAL D 4 116 ? -9.759 48.928 -4.238 1.00 71.94 ? 115 VAL L C 1 ATOM 6455 O O . VAL D 4 116 ? -10.414 49.323 -5.202 1.00 75.17 ? 115 VAL L O 1 ATOM 6456 C CB . VAL D 4 116 ? -11.243 47.131 -3.332 1.00 60.12 ? 115 VAL L CB 1 ATOM 6457 C CG1 . VAL D 4 116 ? -10.313 46.056 -3.866 1.00 40.51 ? 115 VAL L CG1 1 ATOM 6458 C CG2 . VAL D 4 116 ? -12.002 46.628 -2.114 1.00 63.34 ? 115 VAL L CG2 1 ATOM 6459 N N . PHE D 4 117 ? -8.430 48.924 -4.213 1.00 70.98 ? 116 PHE L N 1 ATOM 6460 C CA . PHE D 4 117 ? -7.624 49.384 -5.337 1.00 71.96 ? 116 PHE L CA 1 ATOM 6461 C C . PHE D 4 117 ? -6.637 48.295 -5.747 1.00 71.51 ? 116 PHE L C 1 ATOM 6462 O O . PHE D 4 117 ? -6.190 47.509 -4.912 1.00 79.47 ? 116 PHE L O 1 ATOM 6463 C CB . PHE D 4 117 ? -6.863 50.654 -4.955 1.00 74.16 ? 116 PHE L CB 1 ATOM 6464 C CG . PHE D 4 117 ? -7.726 51.717 -4.337 1.00 76.46 ? 116 PHE L CG 1 ATOM 6465 C CD1 . PHE D 4 117 ? -8.923 52.085 -4.925 1.00 81.79 ? 116 PHE L CD1 1 ATOM 6466 C CD2 . PHE D 4 117 ? -7.343 52.338 -3.161 1.00 73.20 ? 116 PHE L CD2 1 ATOM 6467 C CE1 . PHE D 4 117 ? -9.717 53.061 -4.359 1.00 85.92 ? 116 PHE L CE1 1 ATOM 6468 C CE2 . PHE D 4 117 ? -8.134 53.315 -2.588 1.00 78.31 ? 116 PHE L CE2 1 ATOM 6469 C CZ . PHE D 4 117 ? -9.322 53.677 -3.188 1.00 85.19 ? 116 PHE L CZ 1 ATOM 6470 N N . ILE D 4 118 ? -6.296 48.250 -7.030 1.00 61.77 ? 117 ILE L N 1 ATOM 6471 C CA . ILE D 4 118 ? -5.400 47.216 -7.534 1.00 54.36 ? 117 ILE L CA 1 ATOM 6472 C C . ILE D 4 118 ? -4.367 47.791 -8.504 1.00 59.04 ? 117 ILE L C 1 ATOM 6473 O O . ILE D 4 118 ? -4.686 48.627 -9.348 1.00 64.26 ? 117 ILE L O 1 ATOM 6474 C CB . ILE D 4 118 ? -6.191 46.062 -8.198 1.00 48.25 ? 117 ILE L CB 1 ATOM 6475 C CG1 . ILE D 4 118 ? -5.245 44.992 -8.750 1.00 36.02 ? 117 ILE L CG1 1 ATOM 6476 C CG2 . ILE D 4 118 ? -7.100 46.592 -9.295 1.00 60.07 ? 117 ILE L CG2 1 ATOM 6477 C CD1 . ILE D 4 118 ? -5.960 43.873 -9.478 1.00 33.64 ? 117 ILE L CD1 1 ATOM 6478 N N . PHE D 4 119 ? -3.123 47.347 -8.367 1.00 49.93 ? 118 PHE L N 1 ATOM 6479 C CA . PHE D 4 119 ? -2.042 47.861 -9.194 1.00 47.80 ? 118 PHE L CA 1 ATOM 6480 C C . PHE D 4 119 ? -1.368 46.733 -9.970 1.00 61.69 ? 118 PHE L C 1 ATOM 6481 O O . PHE D 4 119 ? -1.045 45.690 -9.399 1.00 65.83 ? 118 PHE L O 1 ATOM 6482 C CB . PHE D 4 119 ? -1.005 48.581 -8.324 1.00 45.93 ? 118 PHE L CB 1 ATOM 6483 C CG . PHE D 4 119 ? -1.600 49.548 -7.334 1.00 41.70 ? 118 PHE L CG 1 ATOM 6484 C CD1 . PHE D 4 119 ? -1.814 50.873 -7.681 1.00 49.43 ? 118 PHE L CD1 1 ATOM 6485 C CD2 . PHE D 4 119 ? -1.936 49.134 -6.055 1.00 35.41 ? 118 PHE L CD2 1 ATOM 6486 C CE1 . PHE D 4 119 ? -2.359 51.765 -6.773 1.00 46.32 ? 118 PHE L CE1 1 ATOM 6487 C CE2 . PHE D 4 119 ? -2.479 50.021 -5.144 1.00 45.85 ? 118 PHE L CE2 1 ATOM 6488 C CZ . PHE D 4 119 ? -2.691 51.339 -5.503 1.00 45.45 ? 118 PHE L CZ 1 ATOM 6489 N N . PRO D 4 120 ? -1.159 46.937 -11.279 1.00 74.05 ? 119 PRO L N 1 ATOM 6490 C CA . PRO D 4 120 ? -0.385 45.995 -12.093 1.00 71.47 ? 119 PRO L CA 1 ATOM 6491 C C . PRO D 4 120 ? 1.108 46.218 -11.871 1.00 72.45 ? 119 PRO L C 1 ATOM 6492 O O . PRO D 4 120 ? 1.493 47.293 -11.414 1.00 71.51 ? 119 PRO L O 1 ATOM 6493 C CB . PRO D 4 120 ? -0.767 46.386 -13.517 1.00 68.59 ? 119 PRO L CB 1 ATOM 6494 C CG . PRO D 4 120 ? -1.058 47.838 -13.429 1.00 70.60 ? 119 PRO L CG 1 ATOM 6495 C CD . PRO D 4 120 ? -1.693 48.052 -12.081 1.00 74.08 ? 119 PRO L CD 1 ATOM 6496 N N . PRO D 4 121 ? 1.943 45.215 -12.183 1.00 58.80 ? 120 PRO L N 1 ATOM 6497 C CA . PRO D 4 121 ? 3.383 45.380 -11.961 1.00 50.87 ? 120 PRO L CA 1 ATOM 6498 C C . PRO D 4 121 ? 3.987 46.427 -12.890 1.00 46.82 ? 120 PRO L C 1 ATOM 6499 O O . PRO D 4 121 ? 3.472 46.660 -13.982 1.00 41.57 ? 120 PRO L O 1 ATOM 6500 C CB . PRO D 4 121 ? 3.947 43.995 -12.290 1.00 42.21 ? 120 PRO L CB 1 ATOM 6501 C CG . PRO D 4 121 ? 2.962 43.408 -13.235 1.00 39.71 ? 120 PRO L CG 1 ATOM 6502 C CD . PRO D 4 121 ? 1.625 43.901 -12.769 1.00 47.69 ? 120 PRO L CD 1 ATOM 6503 N N . SER D 4 122 ? 5.072 47.051 -12.449 1.00 53.95 ? 121 SER L N 1 ATOM 6504 C CA . SER D 4 122 ? 5.757 48.053 -13.249 1.00 55.81 ? 121 SER L CA 1 ATOM 6505 C C . SER D 4 122 ? 6.542 47.389 -14.368 1.00 61.31 ? 121 SER L C 1 ATOM 6506 O O . SER D 4 122 ? 7.095 46.303 -14.192 1.00 63.55 ? 121 SER L O 1 ATOM 6507 C CB . SER D 4 122 ? 6.711 48.865 -12.374 1.00 58.79 ? 121 SER L CB 1 ATOM 6508 O OG . SER D 4 122 ? 6.463 48.632 -10.999 1.00 59.38 ? 121 SER L OG 1 ATOM 6509 N N . ASP D 4 123 ? 6.588 48.049 -15.520 1.00 71.46 ? 122 ASP L N 1 ATOM 6510 C CA . ASP D 4 123 ? 7.430 47.608 -16.621 1.00 72.56 ? 122 ASP L CA 1 ATOM 6511 C C . ASP D 4 123 ? 8.886 47.670 -16.180 1.00 62.31 ? 122 ASP L C 1 ATOM 6512 O O . ASP D 4 123 ? 9.710 46.854 -16.595 1.00 60.32 ? 122 ASP L O 1 ATOM 6513 C CB . ASP D 4 123 ? 7.212 48.500 -17.842 1.00 88.44 ? 122 ASP L CB 1 ATOM 6514 C CG . ASP D 4 123 ? 5.744 48.670 -18.184 1.00 101.29 ? 122 ASP L CG 1 ATOM 6515 O OD1 . ASP D 4 123 ? 5.210 47.841 -18.951 1.00 103.17 ? 122 ASP L OD1 1 ATOM 6516 O OD2 . ASP D 4 123 ? 5.122 49.631 -17.683 1.00 106.41 ? 122 ASP L OD2 1 ATOM 6517 N N . GLU D 4 124 ? 9.186 48.645 -15.328 1.00 58.19 ? 123 GLU L N 1 ATOM 6518 C CA . GLU D 4 124 ? 10.520 48.809 -14.766 1.00 65.21 ? 123 GLU L CA 1 ATOM 6519 C C . GLU D 4 124 ? 10.910 47.580 -13.954 1.00 61.70 ? 123 GLU L C 1 ATOM 6520 O O . GLU D 4 124 ? 12.077 47.182 -13.931 1.00 55.82 ? 123 GLU L O 1 ATOM 6521 C CB . GLU D 4 124 ? 10.564 50.060 -13.889 1.00 75.98 ? 123 GLU L CB 1 ATOM 6522 C CG . GLU D 4 124 ? 11.913 50.361 -13.263 1.00 85.95 ? 123 GLU L CG 1 ATOM 6523 C CD . GLU D 4 124 ? 11.869 51.615 -12.415 1.00 95.91 ? 123 GLU L CD 1 ATOM 6524 O OE1 . GLU D 4 124 ? 10.786 52.232 -12.344 1.00 97.17 ? 123 GLU L OE1 1 ATOM 6525 O OE2 . GLU D 4 124 ? 12.907 51.983 -11.823 1.00 98.28 ? 123 GLU L OE2 1 ATOM 6526 N N . GLN D 4 125 ? 9.924 46.979 -13.292 1.00 64.04 ? 124 GLN L N 1 ATOM 6527 C CA . GLN D 4 125 ? 10.144 45.750 -12.533 1.00 56.59 ? 124 GLN L CA 1 ATOM 6528 C C . GLN D 4 125 ? 10.221 44.526 -13.438 1.00 51.64 ? 124 GLN L C 1 ATOM 6529 O O . GLN D 4 125 ? 11.031 43.630 -13.209 1.00 59.19 ? 124 GLN L O 1 ATOM 6530 C CB . GLN D 4 125 ? 9.047 45.538 -11.487 1.00 52.33 ? 124 GLN L CB 1 ATOM 6531 C CG . GLN D 4 125 ? 9.145 44.187 -10.791 1.00 45.53 ? 124 GLN L CG 1 ATOM 6532 C CD . GLN D 4 125 ? 8.021 43.933 -9.809 1.00 48.16 ? 124 GLN L CD 1 ATOM 6533 O OE1 . GLN D 4 125 ? 6.959 44.552 -9.884 1.00 46.84 ? 124 GLN L OE1 1 ATOM 6534 N NE2 . GLN D 4 125 ? 8.254 43.016 -8.875 1.00 51.29 ? 124 GLN L NE2 1 ATOM 6535 N N . LEU D 4 126 ? 9.373 44.493 -14.462 1.00 45.12 ? 125 LEU L N 1 ATOM 6536 C CA . LEU D 4 126 ? 9.319 43.359 -15.383 1.00 47.17 ? 125 LEU L CA 1 ATOM 6537 C C . LEU D 4 126 ? 10.666 43.075 -16.041 1.00 53.66 ? 125 LEU L C 1 ATOM 6538 O O . LEU D 4 126 ? 10.968 41.933 -16.388 1.00 60.19 ? 125 LEU L O 1 ATOM 6539 C CB . LEU D 4 126 ? 8.250 43.579 -16.454 1.00 48.37 ? 125 LEU L CB 1 ATOM 6540 C CG . LEU D 4 126 ? 6.958 42.779 -16.290 1.00 44.54 ? 125 LEU L CG 1 ATOM 6541 C CD1 . LEU D 4 126 ? 6.264 43.137 -14.987 1.00 39.45 ? 125 LEU L CD1 1 ATOM 6542 C CD2 . LEU D 4 126 ? 6.031 43.004 -17.473 1.00 52.51 ? 125 LEU L CD2 1 ATOM 6543 N N . LYS D 4 127 ? 11.472 44.119 -16.206 1.00 59.38 ? 126 LYS L N 1 ATOM 6544 C CA . LYS D 4 127 ? 12.808 43.978 -16.775 1.00 64.58 ? 126 LYS L CA 1 ATOM 6545 C C . LYS D 4 127 ? 13.727 43.190 -15.845 1.00 72.75 ? 126 LYS L C 1 ATOM 6546 O O . LYS D 4 127 ? 14.723 42.619 -16.286 1.00 80.26 ? 126 LYS L O 1 ATOM 6547 C CB . LYS D 4 127 ? 13.422 45.351 -17.064 1.00 64.82 ? 126 LYS L CB 1 ATOM 6548 C CG . LYS D 4 127 ? 12.661 46.188 -18.083 1.00 69.38 ? 126 LYS L CG 1 ATOM 6549 C CD . LYS D 4 127 ? 13.415 47.472 -18.406 1.00 75.64 ? 126 LYS L CD 1 ATOM 6550 C CE . LYS D 4 127 ? 13.737 48.262 -17.142 1.00 84.00 ? 126 LYS L CE 1 ATOM 6551 N NZ . LYS D 4 127 ? 14.517 49.502 -17.432 1.00 86.26 ? 126 LYS L NZ 1 ATOM 6552 N N . SER D 4 128 ? 13.389 43.166 -14.558 1.00 74.50 ? 127 SER L N 1 ATOM 6553 C CA . SER D 4 128 ? 14.211 42.484 -13.562 1.00 71.03 ? 127 SER L CA 1 ATOM 6554 C C . SER D 4 128 ? 13.876 40.999 -13.472 1.00 61.76 ? 127 SER L C 1 ATOM 6555 O O . SER D 4 128 ? 14.498 40.261 -12.709 1.00 64.77 ? 127 SER L O 1 ATOM 6556 C CB . SER D 4 128 ? 14.040 43.128 -12.185 1.00 69.55 ? 127 SER L CB 1 ATOM 6557 O OG . SER D 4 128 ? 12.854 42.672 -11.559 1.00 64.19 ? 127 SER L OG 1 ATOM 6558 N N . GLY D 4 129 ? 12.880 40.568 -14.238 1.00 50.45 ? 128 GLY L N 1 ATOM 6559 C CA . GLY D 4 129 ? 12.516 39.164 -14.285 1.00 50.21 ? 128 GLY L CA 1 ATOM 6560 C C . GLY D 4 129 ? 11.357 38.755 -13.392 1.00 46.64 ? 128 GLY L C 1 ATOM 6561 O O . GLY D 4 129 ? 10.825 37.656 -13.540 1.00 48.16 ? 128 GLY L O 1 ATOM 6562 N N . THR D 4 130 ? 10.963 39.623 -12.463 1.00 40.33 ? 129 THR L N 1 ATOM 6563 C CA . THR D 4 130 ? 9.843 39.320 -11.570 1.00 39.46 ? 129 THR L CA 1 ATOM 6564 C C . THR D 4 130 ? 8.672 40.270 -11.777 1.00 38.72 ? 129 THR L C 1 ATOM 6565 O O . THR D 4 130 ? 8.821 41.336 -12.375 1.00 44.66 ? 129 THR L O 1 ATOM 6566 C CB . THR D 4 130 ? 10.242 39.396 -10.084 1.00 50.65 ? 129 THR L CB 1 ATOM 6567 O OG1 . THR D 4 130 ? 10.734 40.709 -9.780 1.00 72.02 ? 129 THR L OG1 1 ATOM 6568 C CG2 . THR D 4 130 ? 11.309 38.367 -9.761 1.00 37.40 ? 129 THR L CG2 1 ATOM 6569 N N . ALA D 4 131 ? 7.509 39.880 -11.266 1.00 36.14 ? 130 ALA L N 1 ATOM 6570 C CA . ALA D 4 131 ? 6.312 40.708 -11.359 1.00 32.91 ? 130 ALA L CA 1 ATOM 6571 C C . ALA D 4 131 ? 5.519 40.683 -10.059 1.00 40.01 ? 130 ALA L C 1 ATOM 6572 O O . ALA D 4 131 ? 5.235 39.616 -9.513 1.00 42.09 ? 130 ALA L O 1 ATOM 6573 C CB . ALA D 4 131 ? 5.443 40.263 -12.524 1.00 26.79 ? 130 ALA L CB 1 ATOM 6574 N N . SER D 4 132 ? 5.164 41.868 -9.572 1.00 36.70 ? 131 SER L N 1 ATOM 6575 C CA . SER D 4 132 ? 4.423 41.993 -8.325 1.00 31.72 ? 131 SER L CA 1 ATOM 6576 C C . SER D 4 132 ? 3.072 42.670 -8.531 1.00 45.31 ? 131 SER L C 1 ATOM 6577 O O . SER D 4 132 ? 3.001 43.857 -8.855 1.00 52.73 ? 131 SER L O 1 ATOM 6578 C CB . SER D 4 132 ? 5.243 42.773 -7.297 1.00 36.91 ? 131 SER L CB 1 ATOM 6579 O OG . SER D 4 132 ? 6.429 42.078 -6.956 1.00 51.91 ? 131 SER L OG 1 ATOM 6580 N N . VAL D 4 133 ? 2.004 41.901 -8.346 1.00 45.62 ? 132 VAL L N 1 ATOM 6581 C CA . VAL D 4 133 ? 0.649 42.433 -8.387 1.00 49.62 ? 132 VAL L CA 1 ATOM 6582 C C . VAL D 4 133 ? 0.227 42.789 -6.970 1.00 56.35 ? 132 VAL L C 1 ATOM 6583 O O . VAL D 4 133 ? 0.357 41.975 -6.060 1.00 66.14 ? 132 VAL L O 1 ATOM 6584 C CB . VAL D 4 133 ? -0.339 41.397 -8.946 1.00 49.43 ? 132 VAL L CB 1 ATOM 6585 C CG1 . VAL D 4 133 ? -1.672 42.054 -9.272 1.00 51.66 ? 132 VAL L CG1 1 ATOM 6586 C CG2 . VAL D 4 133 ? 0.243 40.722 -10.174 1.00 50.05 ? 132 VAL L CG2 1 ATOM 6587 N N . VAL D 4 134 ? -0.280 44.003 -6.781 1.00 51.91 ? 133 VAL L N 1 ATOM 6588 C CA . VAL D 4 134 ? -0.636 44.475 -5.445 1.00 50.82 ? 133 VAL L CA 1 ATOM 6589 C C . VAL D 4 134 ? -2.120 44.833 -5.315 1.00 52.48 ? 133 VAL L C 1 ATOM 6590 O O . VAL D 4 134 ? -2.668 45.568 -6.137 1.00 50.56 ? 133 VAL L O 1 ATOM 6591 C CB . VAL D 4 134 ? 0.228 45.688 -5.031 1.00 46.21 ? 133 VAL L CB 1 ATOM 6592 C CG1 . VAL D 4 134 ? -0.093 46.115 -3.608 1.00 28.85 ? 133 VAL L CG1 1 ATOM 6593 C CG2 . VAL D 4 134 ? 1.707 45.355 -5.166 1.00 36.59 ? 133 VAL L CG2 1 ATOM 6594 N N . CYS D 4 135 ? -2.756 44.300 -4.275 1.00 64.90 ? 134 CYS L N 1 ATOM 6595 C CA . CYS D 4 135 ? -4.157 44.576 -3.978 1.00 69.44 ? 134 CYS L CA 1 ATOM 6596 C C . CYS D 4 135 ? -4.236 45.330 -2.655 1.00 64.60 ? 134 CYS L C 1 ATOM 6597 O O . CYS D 4 135 ? -3.714 44.867 -1.643 1.00 66.83 ? 134 CYS L O 1 ATOM 6598 C CB . CYS D 4 135 ? -4.934 43.261 -3.879 1.00 81.25 ? 134 CYS L CB 1 ATOM 6599 S SG . CYS D 4 135 ? -6.740 43.394 -3.773 1.00 86.28 ? 134 CYS L SG 1 ATOM 6600 N N . LEU D 4 136 ? -4.887 46.490 -2.662 1.00 58.51 ? 135 LEU L N 1 ATOM 6601 C CA . LEU D 4 136 ? -4.944 47.339 -1.473 1.00 52.61 ? 135 LEU L CA 1 ATOM 6602 C C . LEU D 4 136 ? -6.358 47.503 -0.923 1.00 56.00 ? 135 LEU L C 1 ATOM 6603 O O . LEU D 4 136 ? -7.299 47.757 -1.674 1.00 67.38 ? 135 LEU L O 1 ATOM 6604 C CB . LEU D 4 136 ? -4.358 48.718 -1.782 1.00 42.08 ? 135 LEU L CB 1 ATOM 6605 C CG . LEU D 4 136 ? -4.750 49.839 -0.818 1.00 41.69 ? 135 LEU L CG 1 ATOM 6606 C CD1 . LEU D 4 136 ? -4.031 49.699 0.517 1.00 33.20 ? 135 LEU L CD1 1 ATOM 6607 C CD2 . LEU D 4 136 ? -4.486 51.194 -1.444 1.00 45.13 ? 135 LEU L CD2 1 ATOM 6608 N N . LEU D 4 137 ? -6.500 47.361 0.393 1.00 54.72 ? 136 LEU L N 1 ATOM 6609 C CA . LEU D 4 137 ? -7.763 47.650 1.066 1.00 59.65 ? 136 LEU L CA 1 ATOM 6610 C C . LEU D 4 137 ? -7.571 48.816 2.028 1.00 69.18 ? 136 LEU L C 1 ATOM 6611 O O . LEU D 4 137 ? -6.851 48.699 3.019 1.00 75.46 ? 136 LEU L O 1 ATOM 6612 C CB . LEU D 4 137 ? -8.259 46.433 1.840 1.00 55.72 ? 136 LEU L CB 1 ATOM 6613 C CG . LEU D 4 137 ? -8.160 45.070 1.159 1.00 65.80 ? 136 LEU L CG 1 ATOM 6614 C CD1 . LEU D 4 137 ? -8.868 44.026 2.004 1.00 75.30 ? 136 LEU L CD1 1 ATOM 6615 C CD2 . LEU D 4 137 ? -8.736 45.107 -0.246 1.00 71.56 ? 136 LEU L CD2 1 ATOM 6616 N N . ASN D 4 138 ? -8.225 49.935 1.743 1.00 59.52 ? 137 ASN L N 1 ATOM 6617 C CA . ASN D 4 138 ? -7.971 51.161 2.488 1.00 66.81 ? 137 ASN L CA 1 ATOM 6618 C C . ASN D 4 138 ? -9.092 51.558 3.448 1.00 69.00 ? 137 ASN L C 1 ATOM 6619 O O . ASN D 4 138 ? -10.259 51.615 3.061 1.00 75.91 ? 137 ASN L O 1 ATOM 6620 C CB . ASN D 4 138 ? -7.692 52.308 1.517 1.00 75.10 ? 137 ASN L CB 1 ATOM 6621 C CG . ASN D 4 138 ? -6.891 53.422 2.150 1.00 72.61 ? 137 ASN L CG 1 ATOM 6622 O OD1 . ASN D 4 138 ? -5.825 53.189 2.721 1.00 69.62 ? 137 ASN L OD1 1 ATOM 6623 N ND2 . ASN D 4 138 ? -7.404 54.642 2.060 1.00 68.93 ? 137 ASN L ND2 1 ATOM 6624 N N . ASN D 4 139 ? -8.719 51.834 4.696 1.00 65.30 ? 138 ASN L N 1 ATOM 6625 C CA . ASN D 4 139 ? -9.644 52.349 5.702 1.00 71.59 ? 138 ASN L CA 1 ATOM 6626 C C . ASN D 4 139 ? -10.879 51.477 5.927 1.00 72.41 ? 138 ASN L C 1 ATOM 6627 O O . ASN D 4 139 ? -11.953 51.751 5.389 1.00 67.16 ? 138 ASN L O 1 ATOM 6628 C CB . ASN D 4 139 ? -10.056 53.785 5.369 1.00 78.94 ? 138 ASN L CB 1 ATOM 6629 C CG . ASN D 4 139 ? -8.883 54.740 5.362 1.00 80.32 ? 138 ASN L CG 1 ATOM 6630 O OD1 . ASN D 4 139 ? -7.736 54.329 5.194 1.00 71.38 ? 138 ASN L OD1 1 ATOM 6631 N ND2 . ASN D 4 139 ? -9.164 56.025 5.551 1.00 86.70 ? 138 ASN L ND2 1 ATOM 6632 N N . PHE D 4 140 ? -10.717 50.430 6.730 1.00 73.47 ? 139 PHE L N 1 ATOM 6633 C CA . PHE D 4 140 ? -11.810 49.507 7.014 1.00 68.57 ? 139 PHE L CA 1 ATOM 6634 C C . PHE D 4 140 ? -11.862 49.120 8.490 1.00 69.20 ? 139 PHE L C 1 ATOM 6635 O O . PHE D 4 140 ? -10.849 49.163 9.188 1.00 65.66 ? 139 PHE L O 1 ATOM 6636 C CB . PHE D 4 140 ? -11.697 48.255 6.138 1.00 59.18 ? 139 PHE L CB 1 ATOM 6637 C CG . PHE D 4 140 ? -10.405 47.507 6.307 1.00 59.15 ? 139 PHE L CG 1 ATOM 6638 C CD1 . PHE D 4 140 ? -9.296 47.826 5.539 1.00 63.94 ? 139 PHE L CD1 1 ATOM 6639 C CD2 . PHE D 4 140 ? -10.301 46.479 7.228 1.00 67.98 ? 139 PHE L CD2 1 ATOM 6640 C CE1 . PHE D 4 140 ? -8.108 47.137 5.692 1.00 67.89 ? 139 PHE L CE1 1 ATOM 6641 C CE2 . PHE D 4 140 ? -9.115 45.786 7.385 1.00 70.04 ? 139 PHE L CE2 1 ATOM 6642 C CZ . PHE D 4 140 ? -8.018 46.116 6.616 1.00 70.31 ? 139 PHE L CZ 1 ATOM 6643 N N . TYR D 4 141 ? -13.052 48.751 8.957 1.00 74.85 ? 140 TYR L N 1 ATOM 6644 C CA . TYR D 4 141 ? -13.238 48.277 10.324 1.00 79.02 ? 140 TYR L CA 1 ATOM 6645 C C . TYR D 4 141 ? -14.382 47.266 10.397 1.00 86.56 ? 140 TYR L C 1 ATOM 6646 O O . TYR D 4 141 ? -15.435 47.476 9.794 1.00 89.80 ? 140 TYR L O 1 ATOM 6647 C CB . TYR D 4 141 ? -13.522 49.447 11.270 1.00 80.20 ? 140 TYR L CB 1 ATOM 6648 C CG . TYR D 4 141 ? -13.527 49.040 12.724 1.00 84.13 ? 140 TYR L CG 1 ATOM 6649 C CD1 . TYR D 4 141 ? -14.703 48.659 13.359 1.00 90.88 ? 140 TYR L CD1 1 ATOM 6650 C CD2 . TYR D 4 141 ? -12.347 49.006 13.452 1.00 85.84 ? 140 TYR L CD2 1 ATOM 6651 C CE1 . TYR D 4 141 ? -14.703 48.271 14.682 1.00 96.27 ? 140 TYR L CE1 1 ATOM 6652 C CE2 . TYR D 4 141 ? -12.337 48.619 14.773 1.00 93.39 ? 140 TYR L CE2 1 ATOM 6653 C CZ . TYR D 4 141 ? -13.517 48.252 15.384 1.00 98.61 ? 140 TYR L CZ 1 ATOM 6654 O OH . TYR D 4 141 ? -13.508 47.868 16.704 1.00 103.87 ? 140 TYR L OH 1 ATOM 6655 N N . PRO D 4 142 ? -14.189 46.167 11.148 1.00 88.22 ? 141 PRO L N 1 ATOM 6656 C CA . PRO D 4 142 ? -12.998 45.828 11.938 1.00 95.96 ? 141 PRO L CA 1 ATOM 6657 C C . PRO D 4 142 ? -11.882 45.193 11.108 1.00 101.03 ? 141 PRO L C 1 ATOM 6658 O O . PRO D 4 142 ? -12.004 45.079 9.891 1.00 109.72 ? 141 PRO L O 1 ATOM 6659 C CB . PRO D 4 142 ? -13.540 44.827 12.963 1.00 90.43 ? 141 PRO L CB 1 ATOM 6660 C CG . PRO D 4 142 ? -14.670 44.167 12.266 1.00 81.02 ? 141 PRO L CG 1 ATOM 6661 C CD . PRO D 4 142 ? -15.278 45.195 11.352 1.00 76.91 ? 141 PRO L CD 1 ATOM 6662 N N . ARG D 4 143 ? -10.810 44.777 11.776 1.00 93.42 ? 142 ARG L N 1 ATOM 6663 C CA . ARG D 4 143 ? -9.633 44.227 11.107 1.00 91.61 ? 142 ARG L CA 1 ATOM 6664 C C . ARG D 4 143 ? -9.939 42.936 10.337 1.00 84.90 ? 142 ARG L C 1 ATOM 6665 O O . ARG D 4 143 ? -9.207 42.562 9.420 1.00 82.94 ? 142 ARG L O 1 ATOM 6666 C CB . ARG D 4 143 ? -8.518 43.988 12.133 1.00 94.76 ? 142 ARG L CB 1 ATOM 6667 C CG . ARG D 4 143 ? -7.178 43.564 11.550 1.00 87.38 ? 142 ARG L CG 1 ATOM 6668 C CD . ARG D 4 143 ? -6.243 43.096 12.655 1.00 89.20 ? 142 ARG L CD 1 ATOM 6669 N NE . ARG D 4 143 ? -5.174 42.233 12.158 1.00 95.81 ? 142 ARG L NE 1 ATOM 6670 C CZ . ARG D 4 143 ? -3.879 42.481 12.318 1.00 95.74 ? 142 ARG L CZ 1 ATOM 6671 N NH1 . ARG D 4 143 ? -3.489 43.572 12.964 1.00 94.48 ? 142 ARG L NH1 1 ATOM 6672 N NH2 . ARG D 4 143 ? -2.976 41.637 11.834 1.00 92.68 ? 142 ARG L NH2 1 ATOM 6673 N N . GLU D 4 144 ? -11.028 42.265 10.701 1.00 81.48 ? 143 GLU L N 1 ATOM 6674 C CA . GLU D 4 144 ? -11.371 40.979 10.099 1.00 93.17 ? 143 GLU L CA 1 ATOM 6675 C C . GLU D 4 144 ? -11.803 41.115 8.638 1.00 92.92 ? 143 GLU L C 1 ATOM 6676 O O . GLU D 4 144 ? -12.826 41.733 8.339 1.00 90.54 ? 143 GLU L O 1 ATOM 6677 C CB . GLU D 4 144 ? -12.461 40.275 10.914 1.00 105.15 ? 143 GLU L CB 1 ATOM 6678 C CG . GLU D 4 144 ? -12.362 38.756 10.912 1.00 115.95 ? 143 GLU L CG 1 ATOM 6679 C CD . GLU D 4 144 ? -11.250 38.239 11.812 1.00 124.59 ? 143 GLU L CD 1 ATOM 6680 O OE1 . GLU D 4 144 ? -11.568 37.648 12.866 1.00 126.33 ? 143 GLU L OE1 1 ATOM 6681 O OE2 . GLU D 4 144 ? -10.061 38.416 11.467 1.00 125.77 ? 143 GLU L OE2 1 ATOM 6682 N N . ALA D 4 145 ? -11.012 40.535 7.738 1.00 101.17 ? 144 ALA L N 1 ATOM 6683 C CA . ALA D 4 145 ? -11.291 40.578 6.302 1.00 97.20 ? 144 ALA L CA 1 ATOM 6684 C C . ALA D 4 145 ? -10.525 39.492 5.541 1.00 89.81 ? 144 ALA L C 1 ATOM 6685 O O . ALA D 4 145 ? -9.482 39.018 5.996 1.00 76.81 ? 144 ALA L O 1 ATOM 6686 C CB . ALA D 4 145 ? -10.968 41.955 5.736 1.00 90.38 ? 144 ALA L CB 1 ATOM 6687 N N . LYS D 4 146 ? -11.045 39.106 4.378 1.00 84.90 ? 145 LYS L N 1 ATOM 6688 C CA . LYS D 4 146 ? -10.451 38.029 3.586 1.00 83.01 ? 145 LYS L CA 1 ATOM 6689 C C . LYS D 4 146 ? -10.239 38.431 2.123 1.00 83.01 ? 145 LYS L C 1 ATOM 6690 O O . LYS D 4 146 ? -11.095 39.076 1.513 1.00 79.90 ? 145 LYS L O 1 ATOM 6691 C CB . LYS D 4 146 ? -11.307 36.760 3.683 1.00 87.77 ? 145 LYS L CB 1 ATOM 6692 C CG . LYS D 4 146 ? -12.719 36.915 3.138 1.00 89.88 ? 145 LYS L CG 1 ATOM 6693 C CD . LYS D 4 146 ? -13.639 35.786 3.582 1.00 92.28 ? 145 LYS L CD 1 ATOM 6694 C CE . LYS D 4 146 ? -13.958 35.882 5.069 1.00 83.92 ? 145 LYS L CE 1 ATOM 6695 N NZ . LYS D 4 146 ? -14.932 34.842 5.506 1.00 74.13 ? 145 LYS L NZ 1 ATOM 6696 N N . VAL D 4 147 ? -9.091 38.047 1.571 1.00 86.20 ? 146 VAL L N 1 ATOM 6697 C CA . VAL D 4 147 ? -8.723 38.414 0.204 1.00 78.31 ? 146 VAL L CA 1 ATOM 6698 C C . VAL D 4 147 ? -8.394 37.202 -0.661 1.00 75.35 ? 146 VAL L C 1 ATOM 6699 O O . VAL D 4 147 ? -7.544 36.384 -0.308 1.00 58.08 ? 146 VAL L O 1 ATOM 6700 C CB . VAL D 4 147 ? -7.513 39.372 0.185 1.00 63.18 ? 146 VAL L CB 1 ATOM 6701 C CG1 . VAL D 4 147 ? -6.996 39.556 -1.234 1.00 58.76 ? 146 VAL L CG1 1 ATOM 6702 C CG2 . VAL D 4 147 ? -7.891 40.707 0.793 1.00 59.88 ? 146 VAL L CG2 1 ATOM 6703 N N . GLN D 4 148 ? -9.066 37.107 -1.805 1.00 93.41 ? 147 GLN L N 1 ATOM 6704 C CA . GLN D 4 148 ? -8.891 35.989 -2.723 1.00 98.31 ? 147 GLN L CA 1 ATOM 6705 C C . GLN D 4 148 ? -8.200 36.434 -4.007 1.00 94.97 ? 147 GLN L C 1 ATOM 6706 O O . GLN D 4 148 ? -8.598 37.421 -4.622 1.00 87.54 ? 147 GLN L O 1 ATOM 6707 C CB . GLN D 4 148 ? -10.253 35.372 -3.050 1.00 99.35 ? 147 GLN L CB 1 ATOM 6708 C CG . GLN D 4 148 ? -10.870 34.598 -1.901 1.00 100.02 ? 147 GLN L CG 1 ATOM 6709 C CD . GLN D 4 148 ? -10.317 33.192 -1.797 1.00 100.06 ? 147 GLN L CD 1 ATOM 6710 O OE1 . GLN D 4 148 ? -10.428 32.402 -2.735 1.00 102.02 ? 147 GLN L OE1 1 ATOM 6711 N NE2 . GLN D 4 148 ? -9.708 32.874 -0.661 1.00 95.02 ? 147 GLN L NE2 1 ATOM 6712 N N . TRP D 4 149 ? -7.162 35.706 -4.408 1.00 92.03 ? 148 TRP L N 1 ATOM 6713 C CA . TRP D 4 149 ? -6.461 35.996 -5.656 1.00 91.77 ? 148 TRP L CA 1 ATOM 6714 C C . TRP D 4 149 ? -6.949 35.108 -6.793 1.00 95.31 ? 148 TRP L C 1 ATOM 6715 O O . TRP D 4 149 ? -7.094 33.898 -6.623 1.00 105.46 ? 148 TRP L O 1 ATOM 6716 C CB . TRP D 4 149 ? -4.951 35.827 -5.484 1.00 89.86 ? 148 TRP L CB 1 ATOM 6717 C CG . TRP D 4 149 ? -4.258 37.027 -4.917 1.00 79.55 ? 148 TRP L CG 1 ATOM 6718 C CD1 . TRP D 4 149 ? -3.680 37.135 -3.687 1.00 80.04 ? 148 TRP L CD1 1 ATOM 6719 C CD2 . TRP D 4 149 ? -4.068 38.291 -5.563 1.00 62.37 ? 148 TRP L CD2 1 ATOM 6720 N NE1 . TRP D 4 149 ? -3.139 38.387 -3.526 1.00 72.27 ? 148 TRP L NE1 1 ATOM 6721 C CE2 . TRP D 4 149 ? -3.365 39.117 -4.664 1.00 64.02 ? 148 TRP L CE2 1 ATOM 6722 C CE3 . TRP D 4 149 ? -4.423 38.805 -6.812 1.00 55.51 ? 148 TRP L CE3 1 ATOM 6723 C CZ2 . TRP D 4 149 ? -3.011 40.428 -4.976 1.00 54.30 ? 148 TRP L CZ2 1 ATOM 6724 C CZ3 . TRP D 4 149 ? -4.071 40.108 -7.120 1.00 54.28 ? 148 TRP L CZ3 1 ATOM 6725 C CH2 . TRP D 4 149 ? -3.372 40.904 -6.206 1.00 47.79 ? 148 TRP L CH2 1 ATOM 6726 N N . LYS D 4 150 ? -7.191 35.711 -7.954 1.00 85.66 ? 149 LYS L N 1 ATOM 6727 C CA . LYS D 4 150 ? -7.674 34.966 -9.112 1.00 91.18 ? 149 LYS L CA 1 ATOM 6728 C C . LYS D 4 150 ? -7.023 35.433 -10.412 1.00 89.42 ? 149 LYS L C 1 ATOM 6729 O O . LYS D 4 150 ? -7.257 36.555 -10.864 1.00 84.93 ? 149 LYS L O 1 ATOM 6730 C CB . LYS D 4 150 ? -9.198 35.079 -9.223 1.00 94.09 ? 149 LYS L CB 1 ATOM 6731 C CG . LYS D 4 150 ? -9.959 34.161 -8.273 1.00 91.40 ? 149 LYS L CG 1 ATOM 6732 C CD . LYS D 4 150 ? -11.366 34.674 -8.004 1.00 88.07 ? 149 LYS L CD 1 ATOM 6733 C CE . LYS D 4 150 ? -12.130 34.931 -9.296 1.00 85.32 ? 149 LYS L CE 1 ATOM 6734 N NZ . LYS D 4 150 ? -13.489 35.491 -9.033 1.00 81.38 ? 149 LYS L NZ 1 ATOM 6735 N N . VAL D 4 151 ? -6.205 34.573 -11.011 1.00 94.64 ? 150 VAL L N 1 ATOM 6736 C CA . VAL D 4 151 ? -5.616 34.884 -12.309 1.00 94.19 ? 150 VAL L CA 1 ATOM 6737 C C . VAL D 4 151 ? -6.238 34.006 -13.397 1.00 96.90 ? 150 VAL L C 1 ATOM 6738 O O . VAL D 4 151 ? -6.392 32.796 -13.216 1.00 101.81 ? 150 VAL L O 1 ATOM 6739 C CB . VAL D 4 151 ? -4.062 34.807 -12.283 1.00 81.80 ? 150 VAL L CB 1 ATOM 6740 C CG1 . VAL D 4 151 ? -3.540 35.177 -10.904 1.00 75.79 ? 150 VAL L CG1 1 ATOM 6741 C CG2 . VAL D 4 151 ? -3.554 33.431 -12.678 1.00 84.18 ? 150 VAL L CG2 1 ATOM 6742 N N . ASP D 4 152 ? -6.626 34.637 -14.505 1.00 92.09 ? 151 ASP L N 1 ATOM 6743 C CA . ASP D 4 152 ? -7.352 33.965 -15.587 1.00 100.24 ? 151 ASP L CA 1 ATOM 6744 C C . ASP D 4 152 ? -8.508 33.106 -15.074 1.00 108.78 ? 151 ASP L C 1 ATOM 6745 O O . ASP D 4 152 ? -8.707 31.979 -15.533 1.00 109.15 ? 151 ASP L O 1 ATOM 6746 C CB . ASP D 4 152 ? -6.400 33.126 -16.448 1.00 99.95 ? 151 ASP L CB 1 ATOM 6747 C CG . ASP D 4 152 ? -5.880 33.887 -17.654 1.00 98.84 ? 151 ASP L CG 1 ATOM 6748 O OD1 . ASP D 4 152 ? -6.010 35.129 -17.677 1.00 93.04 ? 151 ASP L OD1 1 ATOM 6749 O OD2 . ASP D 4 152 ? -5.338 33.242 -18.578 1.00 102.58 ? 151 ASP L OD2 1 ATOM 6750 N N . ASN D 4 153 ? -9.261 33.657 -14.124 1.00 114.83 ? 152 ASN L N 1 ATOM 6751 C CA . ASN D 4 153 ? -10.298 32.923 -13.401 1.00 117.33 ? 152 ASN L CA 1 ATOM 6752 C C . ASN D 4 153 ? -9.787 31.650 -12.722 1.00 113.58 ? 152 ASN L C 1 ATOM 6753 O O . ASN D 4 153 ? -10.453 30.616 -12.751 1.00 117.49 ? 152 ASN L O 1 ATOM 6754 C CB . ASN D 4 153 ? -11.497 32.605 -14.304 1.00 123.55 ? 152 ASN L CB 1 ATOM 6755 C CG . ASN D 4 153 ? -12.262 33.847 -14.721 1.00 123.16 ? 152 ASN L CG 1 ATOM 6756 O OD1 . ASN D 4 153 ? -13.155 34.311 -14.010 1.00 122.04 ? 152 ASN L OD1 1 ATOM 6757 N ND2 . ASN D 4 153 ? -11.917 34.391 -15.883 1.00 119.59 ? 152 ASN L ND2 1 ATOM 6758 N N . ALA D 4 154 ? -8.606 31.729 -12.115 1.00 102.02 ? 153 ALA L N 1 ATOM 6759 C CA . ALA D 4 154 ? -8.062 30.602 -11.361 1.00 99.99 ? 153 ALA L CA 1 ATOM 6760 C C . ALA D 4 154 ? -7.504 31.030 -10.003 1.00 99.22 ? 153 ALA L C 1 ATOM 6761 O O . ALA D 4 154 ? -6.719 31.975 -9.908 1.00 91.24 ? 153 ALA L O 1 ATOM 6762 C CB . ALA D 4 154 ? -7.002 29.868 -12.172 1.00 97.05 ? 153 ALA L CB 1 ATOM 6763 N N . LEU D 4 155 ? -7.917 30.316 -8.960 1.00 106.28 ? 154 LEU L N 1 ATOM 6764 C CA . LEU D 4 155 ? -7.519 30.614 -7.587 1.00 103.49 ? 154 LEU L CA 1 ATOM 6765 C C . LEU D 4 155 ? -6.033 30.381 -7.339 1.00 99.82 ? 154 LEU L C 1 ATOM 6766 O O . LEU D 4 155 ? -5.496 29.325 -7.677 1.00 99.30 ? 154 LEU L O 1 ATOM 6767 C CB . LEU D 4 155 ? -8.328 29.754 -6.617 1.00 109.00 ? 154 LEU L CB 1 ATOM 6768 C CG . LEU D 4 155 ? -7.792 29.669 -5.188 1.00 109.58 ? 154 LEU L CG 1 ATOM 6769 C CD1 . LEU D 4 155 ? -8.077 30.957 -4.430 1.00 104.60 ? 154 LEU L CD1 1 ATOM 6770 C CD2 . LEU D 4 155 ? -8.369 28.466 -4.457 1.00 115.06 ? 154 LEU L CD2 1 ATOM 6771 N N . GLN D 4 156 ? -5.377 31.369 -6.737 1.00 97.25 ? 155 GLN L N 1 ATOM 6772 C CA . GLN D 4 156 ? -3.976 31.240 -6.356 1.00 93.16 ? 155 GLN L CA 1 ATOM 6773 C C . GLN D 4 156 ? -3.850 30.589 -4.983 1.00 96.63 ? 155 GLN L C 1 ATOM 6774 O O . GLN D 4 156 ? -4.817 30.531 -4.225 1.00 95.90 ? 155 GLN L O 1 ATOM 6775 C CB . GLN D 4 156 ? -3.287 32.603 -6.373 1.00 83.18 ? 155 GLN L CB 1 ATOM 6776 C CG . GLN D 4 156 ? -3.255 33.240 -7.749 1.00 79.07 ? 155 GLN L CG 1 ATOM 6777 C CD . GLN D 4 156 ? -2.851 32.255 -8.828 1.00 71.53 ? 155 GLN L CD 1 ATOM 6778 O OE1 . GLN D 4 156 ? -1.716 31.779 -8.860 1.00 59.54 ? 155 GLN L OE1 1 ATOM 6779 N NE2 . GLN D 4 156 ? -3.787 31.934 -9.713 1.00 75.63 ? 155 GLN L NE2 1 ATOM 6780 N N . SER D 4 157 ? -2.658 30.102 -4.662 1.00 99.97 ? 156 SER L N 1 ATOM 6781 C CA . SER D 4 157 ? -2.469 29.327 -3.442 1.00 101.77 ? 156 SER L CA 1 ATOM 6782 C C . SER D 4 157 ? -1.483 29.958 -2.464 1.00 102.67 ? 156 SER L C 1 ATOM 6783 O O . SER D 4 157 ? -1.881 30.681 -1.551 1.00 102.63 ? 156 SER L O 1 ATOM 6784 C CB . SER D 4 157 ? -2.033 27.901 -3.784 1.00 103.68 ? 156 SER L CB 1 ATOM 6785 O OG . SER D 4 157 ? -0.901 27.905 -4.637 1.00 98.04 ? 156 SER L OG 1 ATOM 6786 N N . GLY D 4 158 ? -0.197 29.677 -2.657 1.00 103.11 ? 157 GLY L N 1 ATOM 6787 C CA . GLY D 4 158 ? 0.818 30.094 -1.707 1.00 96.69 ? 157 GLY L CA 1 ATOM 6788 C C . GLY D 4 158 ? 1.768 31.166 -2.205 1.00 86.54 ? 157 GLY L C 1 ATOM 6789 O O . GLY D 4 158 ? 2.910 31.246 -1.753 1.00 88.13 ? 157 GLY L O 1 ATOM 6790 N N . ASN D 4 159 ? 1.301 31.996 -3.130 1.00 71.70 ? 158 ASN L N 1 ATOM 6791 C CA . ASN D 4 159 ? 2.129 33.066 -3.677 1.00 69.64 ? 158 ASN L CA 1 ATOM 6792 C C . ASN D 4 159 ? 1.764 34.435 -3.111 1.00 75.67 ? 158 ASN L C 1 ATOM 6793 O O . ASN D 4 159 ? 2.328 35.455 -3.508 1.00 71.54 ? 158 ASN L O 1 ATOM 6794 C CB . ASN D 4 159 ? 2.046 33.081 -5.205 1.00 73.68 ? 158 ASN L CB 1 ATOM 6795 C CG . ASN D 4 159 ? 0.618 33.032 -5.713 1.00 84.73 ? 158 ASN L CG 1 ATOM 6796 O OD1 . ASN D 4 159 ? -0.319 33.422 -5.016 1.00 96.05 ? 158 ASN L OD1 1 ATOM 6797 N ND2 . ASN D 4 159 ? 0.446 32.551 -6.938 1.00 83.40 ? 158 ASN L ND2 1 ATOM 6798 N N . SER D 4 160 ? 0.819 34.448 -2.177 1.00 86.43 ? 159 SER L N 1 ATOM 6799 C CA . SER D 4 160 ? 0.337 35.691 -1.590 1.00 74.12 ? 159 SER L CA 1 ATOM 6800 C C . SER D 4 160 ? 1.175 36.106 -0.388 1.00 63.47 ? 159 SER L C 1 ATOM 6801 O O . SER D 4 160 ? 1.927 35.308 0.168 1.00 62.58 ? 159 SER L O 1 ATOM 6802 C CB . SER D 4 160 ? -1.125 35.546 -1.166 1.00 77.39 ? 159 SER L CB 1 ATOM 6803 O OG . SER D 4 160 ? -1.918 35.046 -2.229 1.00 82.92 ? 159 SER L OG 1 ATOM 6804 N N . GLN D 4 161 ? 1.035 37.366 0.003 1.00 66.69 ? 160 GLN L N 1 ATOM 6805 C CA . GLN D 4 161 ? 1.698 37.888 1.188 1.00 64.71 ? 160 GLN L CA 1 ATOM 6806 C C . GLN D 4 161 ? 0.987 39.165 1.622 1.00 61.96 ? 160 GLN L C 1 ATOM 6807 O O . GLN D 4 161 ? 0.762 40.068 0.813 1.00 56.77 ? 160 GLN L O 1 ATOM 6808 C CB . GLN D 4 161 ? 3.176 38.159 0.906 1.00 67.11 ? 160 GLN L CB 1 ATOM 6809 C CG . GLN D 4 161 ? 4.104 37.695 2.016 1.00 78.62 ? 160 GLN L CG 1 ATOM 6810 C CD . GLN D 4 161 ? 5.555 37.659 1.583 1.00 90.85 ? 160 GLN L CD 1 ATOM 6811 O OE1 . GLN D 4 161 ? 5.939 38.298 0.603 1.00 96.30 ? 160 GLN L OE1 1 ATOM 6812 N NE2 . GLN D 4 161 ? 6.371 36.904 2.310 1.00 87.98 ? 160 GLN L NE2 1 ATOM 6813 N N . GLU D 4 162 ? 0.627 39.232 2.900 1.00 59.84 ? 161 GLU L N 1 ATOM 6814 C CA . GLU D 4 162 ? -0.176 40.342 3.402 1.00 55.45 ? 161 GLU L CA 1 ATOM 6815 C C . GLU D 4 162 ? 0.508 41.129 4.518 1.00 46.68 ? 161 GLU L C 1 ATOM 6816 O O . GLU D 4 162 ? 1.335 40.598 5.256 1.00 55.39 ? 161 GLU L O 1 ATOM 6817 C CB . GLU D 4 162 ? -1.545 39.840 3.871 1.00 63.00 ? 161 GLU L CB 1 ATOM 6818 C CG . GLU D 4 162 ? -2.369 39.177 2.776 1.00 79.36 ? 161 GLU L CG 1 ATOM 6819 C CD . GLU D 4 162 ? -3.755 38.774 3.247 1.00 95.79 ? 161 GLU L CD 1 ATOM 6820 O OE1 . GLU D 4 162 ? -3.987 38.751 4.475 1.00 94.05 ? 161 GLU L OE1 1 ATOM 6821 O OE2 . GLU D 4 162 ? -4.615 38.480 2.388 1.00 105.67 ? 161 GLU L OE2 1 ATOM 6822 N N . SER D 4 163 ? 0.153 42.405 4.624 1.00 43.97 ? 162 SER L N 1 ATOM 6823 C CA . SER D 4 163 ? 0.660 43.276 5.675 1.00 52.99 ? 162 SER L CA 1 ATOM 6824 C C . SER D 4 163 ? -0.440 44.240 6.114 1.00 50.95 ? 162 SER L C 1 ATOM 6825 O O . SER D 4 163 ? -1.121 44.835 5.281 1.00 51.90 ? 162 SER L O 1 ATOM 6826 C CB . SER D 4 163 ? 1.884 44.054 5.183 1.00 58.31 ? 162 SER L CB 1 ATOM 6827 O OG . SER D 4 163 ? 2.401 44.895 6.201 1.00 65.06 ? 162 SER L OG 1 ATOM 6828 N N . VAL D 4 164 ? -0.621 44.384 7.424 1.00 47.95 ? 163 VAL L N 1 ATOM 6829 C CA . VAL D 4 164 ? -1.661 45.258 7.960 1.00 46.57 ? 163 VAL L CA 1 ATOM 6830 C C . VAL D 4 164 ? -1.088 46.293 8.920 1.00 53.86 ? 163 VAL L C 1 ATOM 6831 O O . VAL D 4 164 ? -0.288 45.962 9.795 1.00 62.92 ? 163 VAL L O 1 ATOM 6832 C CB . VAL D 4 164 ? -2.730 44.463 8.732 1.00 48.36 ? 163 VAL L CB 1 ATOM 6833 C CG1 . VAL D 4 164 ? -3.941 45.338 9.005 1.00 54.99 ? 163 VAL L CG1 1 ATOM 6834 C CG2 . VAL D 4 164 ? -3.141 43.226 7.963 1.00 49.94 ? 163 VAL L CG2 1 ATOM 6835 N N . THR D 4 165 ? -1.507 47.544 8.761 1.00 62.11 ? 164 THR L N 1 ATOM 6836 C CA . THR D 4 165 ? -1.164 48.585 9.720 1.00 61.39 ? 164 THR L CA 1 ATOM 6837 C C . THR D 4 165 ? -1.944 48.364 11.007 1.00 62.90 ? 164 THR L C 1 ATOM 6838 O O . THR D 4 165 ? -2.938 47.638 11.024 1.00 64.07 ? 164 THR L O 1 ATOM 6839 C CB . THR D 4 165 ? -1.505 49.986 9.188 1.00 60.99 ? 164 THR L CB 1 ATOM 6840 O OG1 . THR D 4 165 ? -2.868 50.012 8.744 1.00 54.62 ? 164 THR L OG1 1 ATOM 6841 C CG2 . THR D 4 165 ? -0.592 50.355 8.032 1.00 62.43 ? 164 THR L CG2 1 ATOM 6842 N N . GLU D 4 166 ? -1.497 48.992 12.087 1.00 61.99 ? 165 GLU L N 1 ATOM 6843 C CA . GLU D 4 166 ? -2.248 48.953 13.334 1.00 65.02 ? 165 GLU L CA 1 ATOM 6844 C C . GLU D 4 166 ? -3.389 49.965 13.269 1.00 72.37 ? 165 GLU L C 1 ATOM 6845 O O . GLU D 4 166 ? -3.568 50.638 12.253 1.00 74.37 ? 165 GLU L O 1 ATOM 6846 C CB . GLU D 4 166 ? -1.327 49.221 14.524 1.00 65.87 ? 165 GLU L CB 1 ATOM 6847 C CG . GLU D 4 166 ? -0.304 48.115 14.746 1.00 76.50 ? 165 GLU L CG 1 ATOM 6848 C CD . GLU D 4 166 ? 0.857 48.552 15.618 1.00 85.86 ? 165 GLU L CD 1 ATOM 6849 O OE1 . GLU D 4 166 ? 1.009 49.773 15.838 1.00 98.21 ? 165 GLU L OE1 1 ATOM 6850 O OE2 . GLU D 4 166 ? 1.620 47.675 16.080 1.00 76.22 ? 165 GLU L OE2 1 ATOM 6851 N N . GLN D 4 167 ? -4.169 50.060 14.340 1.00 74.26 ? 166 GLN L N 1 ATOM 6852 C CA . GLN D 4 167 ? -5.307 50.972 14.356 1.00 76.66 ? 166 GLN L CA 1 ATOM 6853 C C . GLN D 4 167 ? -4.832 52.418 14.261 1.00 84.96 ? 166 GLN L C 1 ATOM 6854 O O . GLN D 4 167 ? -3.911 52.829 14.967 1.00 89.99 ? 166 GLN L O 1 ATOM 6855 C CB . GLN D 4 167 ? -6.159 50.758 15.606 1.00 80.26 ? 166 GLN L CB 1 ATOM 6856 C CG . GLN D 4 167 ? -7.648 50.663 15.318 1.00 88.57 ? 166 GLN L CG 1 ATOM 6857 C CD . GLN D 4 167 ? -8.422 50.032 16.458 1.00 95.05 ? 166 GLN L CD 1 ATOM 6858 O OE1 . GLN D 4 167 ? -7.938 49.956 17.588 1.00 93.83 ? 166 GLN L OE1 1 ATOM 6859 N NE2 . GLN D 4 167 ? -9.631 49.568 16.165 1.00 95.70 ? 166 GLN L NE2 1 ATOM 6860 N N . ASP D 4 168 ? -5.464 53.179 13.375 1.00 82.59 ? 167 ASP L N 1 ATOM 6861 C CA . ASP D 4 168 ? -5.031 54.537 13.072 1.00 82.62 ? 167 ASP L CA 1 ATOM 6862 C C . ASP D 4 168 ? -5.195 55.470 14.272 1.00 82.86 ? 167 ASP L C 1 ATOM 6863 O O . ASP D 4 168 ? -6.096 55.293 15.091 1.00 76.91 ? 167 ASP L O 1 ATOM 6864 C CB . ASP D 4 168 ? -5.797 55.069 11.859 1.00 90.79 ? 167 ASP L CB 1 ATOM 6865 C CG . ASP D 4 168 ? -5.128 56.270 11.225 1.00 98.42 ? 167 ASP L CG 1 ATOM 6866 O OD1 . ASP D 4 168 ? -5.747 56.895 10.339 1.00 100.36 ? 167 ASP L OD1 1 ATOM 6867 O OD2 . ASP D 4 168 ? -3.986 56.591 11.613 1.00 101.19 ? 167 ASP L OD2 1 ATOM 6868 N N . SER D 4 169 ? -4.312 56.458 14.370 1.00 102.03 ? 168 SER L N 1 ATOM 6869 C CA . SER D 4 169 ? -4.295 57.372 15.507 1.00 104.01 ? 168 SER L CA 1 ATOM 6870 C C . SER D 4 169 ? -5.544 58.244 15.552 1.00 113.75 ? 168 SER L C 1 ATOM 6871 O O . SER D 4 169 ? -6.038 58.585 16.627 1.00 118.34 ? 168 SER L O 1 ATOM 6872 C CB . SER D 4 169 ? -3.051 58.263 15.458 1.00 93.45 ? 168 SER L CB 1 ATOM 6873 O OG . SER D 4 169 ? -1.868 57.493 15.338 1.00 85.98 ? 168 SER L OG 1 ATOM 6874 N N . LYS D 4 170 ? -6.048 58.598 14.376 1.00 115.64 ? 169 LYS L N 1 ATOM 6875 C CA . LYS D 4 170 ? -7.157 59.539 14.262 1.00 113.59 ? 169 LYS L CA 1 ATOM 6876 C C . LYS D 4 170 ? -8.508 58.836 14.146 1.00 110.61 ? 169 LYS L C 1 ATOM 6877 O O . LYS D 4 170 ? -9.294 58.818 15.092 1.00 114.34 ? 169 LYS L O 1 ATOM 6878 C CB . LYS D 4 170 ? -6.943 60.447 13.050 1.00 115.24 ? 169 LYS L CB 1 ATOM 6879 C CG . LYS D 4 170 ? -5.562 60.322 12.422 1.00 113.98 ? 169 LYS L CG 1 ATOM 6880 C CD . LYS D 4 170 ? -5.582 60.744 10.963 1.00 115.19 ? 169 LYS L CD 1 ATOM 6881 C CE . LYS D 4 170 ? -6.610 59.938 10.181 1.00 115.09 ? 169 LYS L CE 1 ATOM 6882 N NZ . LYS D 4 170 ? -6.586 60.241 8.725 1.00 111.91 ? 169 LYS L NZ 1 ATOM 6883 N N . ASP D 4 171 ? -8.770 58.257 12.977 1.00 97.69 ? 170 ASP L N 1 ATOM 6884 C CA . ASP D 4 171 ? -10.066 57.646 12.690 1.00 97.07 ? 170 ASP L CA 1 ATOM 6885 C C . ASP D 4 171 ? -10.179 56.200 13.175 1.00 91.33 ? 170 ASP L C 1 ATOM 6886 O O . ASP D 4 171 ? -11.217 55.561 12.996 1.00 89.13 ? 170 ASP L O 1 ATOM 6887 C CB . ASP D 4 171 ? -10.383 57.737 11.193 1.00 109.85 ? 170 ASP L CB 1 ATOM 6888 C CG . ASP D 4 171 ? -9.236 57.257 10.317 1.00 116.69 ? 170 ASP L CG 1 ATOM 6889 O OD1 . ASP D 4 171 ? -8.482 56.361 10.751 1.00 116.51 ? 170 ASP L OD1 1 ATOM 6890 O OD2 . ASP D 4 171 ? -9.087 57.776 9.188 1.00 117.75 ? 170 ASP L OD2 1 ATOM 6891 N N . SER D 4 172 ? -9.104 55.701 13.784 1.00 91.76 ? 171 SER L N 1 ATOM 6892 C CA . SER D 4 172 ? -9.039 54.341 14.329 1.00 85.41 ? 171 SER L CA 1 ATOM 6893 C C . SER D 4 172 ? -9.516 53.258 13.361 1.00 90.19 ? 171 SER L C 1 ATOM 6894 O O . SER D 4 172 ? -10.360 52.431 13.706 1.00 88.68 ? 171 SER L O 1 ATOM 6895 C CB . SER D 4 172 ? -9.781 54.239 15.670 1.00 79.90 ? 171 SER L CB 1 ATOM 6896 O OG . SER D 4 172 ? -11.177 54.406 15.507 1.00 84.72 ? 171 SER L OG 1 ATOM 6897 N N . THR D 4 173 ? -8.962 53.266 12.152 1.00 95.76 ? 172 THR L N 1 ATOM 6898 C CA . THR D 4 173 ? -9.298 52.266 11.146 1.00 90.34 ? 172 THR L CA 1 ATOM 6899 C C . THR D 4 173 ? -8.049 51.507 10.702 1.00 79.98 ? 172 THR L C 1 ATOM 6900 O O . THR D 4 173 ? -6.936 51.830 11.117 1.00 78.32 ? 172 THR L O 1 ATOM 6901 C CB . THR D 4 173 ? -9.969 52.904 9.918 1.00 91.94 ? 172 THR L CB 1 ATOM 6902 O OG1 . THR D 4 173 ? -10.581 51.883 9.120 1.00 94.67 ? 172 THR L OG1 1 ATOM 6903 C CG2 . THR D 4 173 ? -8.947 53.655 9.080 1.00 88.39 ? 172 THR L CG2 1 ATOM 6904 N N . TYR D 4 174 ? -8.239 50.500 9.857 1.00 67.48 ? 173 TYR L N 1 ATOM 6905 C CA . TYR D 4 174 ? -7.132 49.669 9.399 1.00 70.91 ? 173 TYR L CA 1 ATOM 6906 C C . TYR D 4 174 ? -6.892 49.795 7.895 1.00 74.61 ? 173 TYR L C 1 ATOM 6907 O O . TYR D 4 174 ? -7.801 50.130 7.137 1.00 85.02 ? 173 TYR L O 1 ATOM 6908 C CB . TYR D 4 174 ? -7.388 48.202 9.756 1.00 71.84 ? 173 TYR L CB 1 ATOM 6909 C CG . TYR D 4 174 ? -7.346 47.905 11.239 1.00 70.70 ? 173 TYR L CG 1 ATOM 6910 C CD1 . TYR D 4 174 ? -6.136 47.826 11.915 1.00 71.45 ? 173 TYR L CD1 1 ATOM 6911 C CD2 . TYR D 4 174 ? -8.515 47.691 11.961 1.00 68.21 ? 173 TYR L CD2 1 ATOM 6912 C CE1 . TYR D 4 174 ? -6.089 47.553 13.267 1.00 73.74 ? 173 TYR L CE1 1 ATOM 6913 C CE2 . TYR D 4 174 ? -8.479 47.416 13.317 1.00 68.98 ? 173 TYR L CE2 1 ATOM 6914 C CZ . TYR D 4 174 ? -7.263 47.348 13.964 1.00 76.28 ? 173 TYR L CZ 1 ATOM 6915 O OH . TYR D 4 174 ? -7.220 47.075 15.312 1.00 83.75 ? 173 TYR L OH 1 ATOM 6916 N N . SER D 4 175 ? -5.659 49.530 7.477 1.00 65.68 ? 174 SER L N 1 ATOM 6917 C CA . SER D 4 175 ? -5.334 49.390 6.060 1.00 67.89 ? 174 SER L CA 1 ATOM 6918 C C . SER D 4 175 ? -4.536 48.107 5.832 1.00 73.69 ? 174 SER L C 1 ATOM 6919 O O . SER D 4 175 ? -3.701 47.729 6.656 1.00 66.12 ? 174 SER L O 1 ATOM 6920 C CB . SER D 4 175 ? -4.563 50.606 5.541 1.00 66.60 ? 174 SER L CB 1 ATOM 6921 O OG . SER D 4 175 ? -5.446 51.639 5.137 1.00 70.28 ? 174 SER L OG 1 ATOM 6922 N N . LEU D 4 176 ? -4.803 47.441 4.712 1.00 60.79 ? 175 LEU L N 1 ATOM 6923 C CA . LEU D 4 176 ? -4.184 46.155 4.404 1.00 57.96 ? 175 LEU L CA 1 ATOM 6924 C C . LEU D 4 176 ? -3.714 46.078 2.951 1.00 59.77 ? 175 LEU L C 1 ATOM 6925 O O . LEU D 4 176 ? -4.431 46.483 2.036 1.00 63.59 ? 175 LEU L O 1 ATOM 6926 C CB . LEU D 4 176 ? -5.168 45.016 4.704 1.00 54.73 ? 175 LEU L CB 1 ATOM 6927 C CG . LEU D 4 176 ? -5.019 43.680 3.965 1.00 52.96 ? 175 LEU L CG 1 ATOM 6928 C CD1 . LEU D 4 176 ? -3.757 42.939 4.385 1.00 49.48 ? 175 LEU L CD1 1 ATOM 6929 C CD2 . LEU D 4 176 ? -6.245 42.817 4.200 1.00 39.45 ? 175 LEU L CD2 1 ATOM 6930 N N . SER D 4 177 ? -2.505 45.560 2.749 1.00 65.53 ? 176 SER L N 1 ATOM 6931 C CA . SER D 4 177 ? -1.991 45.316 1.404 1.00 63.30 ? 176 SER L CA 1 ATOM 6932 C C . SER D 4 177 ? -1.792 43.822 1.170 1.00 54.63 ? 176 SER L C 1 ATOM 6933 O O . SER D 4 177 ? -1.351 43.104 2.060 1.00 58.90 ? 176 SER L O 1 ATOM 6934 C CB . SER D 4 177 ? -0.668 46.051 1.182 1.00 67.56 ? 176 SER L CB 1 ATOM 6935 O OG . SER D 4 177 ? 0.421 45.325 1.725 1.00 72.57 ? 176 SER L OG 1 ATOM 6936 N N . SER D 4 178 ? -2.121 43.361 -0.031 1.00 54.13 ? 177 SER L N 1 ATOM 6937 C CA . SER D 4 178 ? -1.924 41.967 -0.401 1.00 60.68 ? 177 SER L CA 1 ATOM 6938 C C . SER D 4 178 ? -1.202 41.875 -1.736 1.00 65.70 ? 177 SER L C 1 ATOM 6939 O O . SER D 4 178 ? -1.782 42.166 -2.779 1.00 74.13 ? 177 SER L O 1 ATOM 6940 C CB . SER D 4 178 ? -3.265 41.237 -0.498 1.00 58.79 ? 177 SER L CB 1 ATOM 6941 O OG . SER D 4 178 ? -3.089 39.945 -1.061 1.00 52.91 ? 177 SER L OG 1 ATOM 6942 N N . THR D 4 179 ? 0.063 41.474 -1.709 1.00 54.60 ? 178 THR L N 1 ATOM 6943 C CA . THR D 4 179 ? 0.833 41.381 -2.942 1.00 50.12 ? 178 THR L CA 1 ATOM 6944 C C . THR D 4 179 ? 1.085 39.941 -3.380 1.00 57.04 ? 178 THR L C 1 ATOM 6945 O O . THR D 4 179 ? 1.625 39.129 -2.628 1.00 59.54 ? 178 THR L O 1 ATOM 6946 C CB . THR D 4 179 ? 2.180 42.126 -2.844 1.00 50.76 ? 178 THR L CB 1 ATOM 6947 O OG1 . THR D 4 179 ? 3.248 41.225 -3.164 1.00 55.75 ? 178 THR L OG1 1 ATOM 6948 C CG2 . THR D 4 179 ? 2.392 42.682 -1.441 1.00 52.86 ? 178 THR L CG2 1 ATOM 6949 N N . LEU D 4 180 ? 0.679 39.637 -4.607 1.00 67.48 ? 179 LEU L N 1 ATOM 6950 C CA . LEU D 4 180 ? 0.973 38.355 -5.231 1.00 64.77 ? 179 LEU L CA 1 ATOM 6951 C C . LEU D 4 180 ? 2.140 38.544 -6.194 1.00 58.44 ? 179 LEU L C 1 ATOM 6952 O O . LEU D 4 180 ? 2.201 39.538 -6.920 1.00 60.68 ? 179 LEU L O 1 ATOM 6953 C CB . LEU D 4 180 ? -0.270 37.820 -5.955 1.00 63.40 ? 179 LEU L CB 1 ATOM 6954 C CG . LEU D 4 180 ? -0.172 37.301 -7.393 1.00 62.67 ? 179 LEU L CG 1 ATOM 6955 C CD1 . LEU D 4 180 ? 0.440 35.912 -7.456 1.00 68.85 ? 179 LEU L CD1 1 ATOM 6956 C CD2 . LEU D 4 180 ? -1.540 37.297 -8.048 1.00 57.19 ? 179 LEU L CD2 1 ATOM 6957 N N . THR D 4 181 ? 3.074 37.600 -6.190 1.00 48.94 ? 180 THR L N 1 ATOM 6958 C CA . THR D 4 181 ? 4.259 37.719 -7.030 1.00 48.54 ? 180 THR L CA 1 ATOM 6959 C C . THR D 4 181 ? 4.419 36.550 -7.999 1.00 44.88 ? 180 THR L C 1 ATOM 6960 O O . THR D 4 181 ? 4.216 35.391 -7.635 1.00 37.07 ? 180 THR L O 1 ATOM 6961 C CB . THR D 4 181 ? 5.542 37.871 -6.184 1.00 49.69 ? 180 THR L CB 1 ATOM 6962 O OG1 . THR D 4 181 ? 5.692 36.733 -5.327 1.00 57.98 ? 180 THR L OG1 1 ATOM 6963 C CG2 . THR D 4 181 ? 5.475 39.135 -5.335 1.00 37.23 ? 180 THR L CG2 1 ATOM 6964 N N . LEU D 4 182 ? 4.777 36.873 -9.237 1.00 53.27 ? 181 LEU L N 1 ATOM 6965 C CA . LEU D 4 182 ? 5.038 35.870 -10.263 1.00 53.03 ? 181 LEU L CA 1 ATOM 6966 C C . LEU D 4 182 ? 6.344 36.189 -10.966 1.00 56.91 ? 181 LEU L C 1 ATOM 6967 O O . LEU D 4 182 ? 6.858 37.304 -10.853 1.00 63.66 ? 181 LEU L O 1 ATOM 6968 C CB . LEU D 4 182 ? 3.916 35.863 -11.299 1.00 48.68 ? 181 LEU L CB 1 ATOM 6969 C CG . LEU D 4 182 ? 2.553 35.329 -10.868 1.00 58.50 ? 181 LEU L CG 1 ATOM 6970 C CD1 . LEU D 4 182 ? 1.526 35.602 -11.952 1.00 60.73 ? 181 LEU L CD1 1 ATOM 6971 C CD2 . LEU D 4 182 ? 2.642 33.841 -10.570 1.00 71.32 ? 181 LEU L CD2 1 ATOM 6972 N N . SER D 4 183 ? 6.884 35.215 -11.691 1.00 53.05 ? 182 SER L N 1 ATOM 6973 C CA . SER D 4 183 ? 7.984 35.496 -12.601 1.00 57.77 ? 182 SER L CA 1 ATOM 6974 C C . SER D 4 183 ? 7.401 36.268 -13.775 1.00 57.97 ? 182 SER L C 1 ATOM 6975 O O . SER D 4 183 ? 6.196 36.196 -14.024 1.00 60.05 ? 182 SER L O 1 ATOM 6976 C CB . SER D 4 183 ? 8.642 34.203 -13.086 1.00 67.25 ? 182 SER L CB 1 ATOM 6977 O OG . SER D 4 183 ? 7.868 33.578 -14.096 1.00 79.15 ? 182 SER L OG 1 ATOM 6978 N N . LYS D 4 184 ? 8.244 37.015 -14.484 1.00 51.88 ? 183 LYS L N 1 ATOM 6979 C CA . LYS D 4 184 ? 7.787 37.806 -15.626 1.00 46.84 ? 183 LYS L CA 1 ATOM 6980 C C . LYS D 4 184 ? 7.096 36.940 -16.671 1.00 49.66 ? 183 LYS L C 1 ATOM 6981 O O . LYS D 4 184 ? 6.042 37.303 -17.193 1.00 63.68 ? 183 LYS L O 1 ATOM 6982 C CB . LYS D 4 184 ? 8.949 38.556 -16.280 1.00 46.22 ? 183 LYS L CB 1 ATOM 6983 C CG . LYS D 4 184 ? 8.568 39.226 -17.595 1.00 57.31 ? 183 LYS L CG 1 ATOM 6984 C CD . LYS D 4 184 ? 9.786 39.656 -18.395 1.00 73.34 ? 183 LYS L CD 1 ATOM 6985 C CE . LYS D 4 184 ? 9.377 40.279 -19.724 1.00 77.31 ? 183 LYS L CE 1 ATOM 6986 N NZ . LYS D 4 184 ? 10.548 40.764 -20.510 1.00 75.04 ? 183 LYS L NZ 1 ATOM 6987 N N . ALA D 4 185 ? 7.699 35.793 -16.964 1.00 40.87 ? 184 ALA L N 1 ATOM 6988 C CA . ALA D 4 185 ? 7.181 34.882 -17.976 1.00 44.41 ? 184 ALA L CA 1 ATOM 6989 C C . ALA D 4 185 ? 5.798 34.354 -17.607 1.00 57.28 ? 184 ALA L C 1 ATOM 6990 O O . ALA D 4 185 ? 4.884 34.374 -18.431 1.00 69.41 ? 184 ALA L O 1 ATOM 6991 C CB . ALA D 4 185 ? 8.148 33.735 -18.199 1.00 37.30 ? 184 ALA L CB 1 ATOM 6992 N N . ASP D 4 186 ? 5.653 33.885 -16.369 1.00 56.79 ? 185 ASP L N 1 ATOM 6993 C CA . ASP D 4 186 ? 4.369 33.390 -15.879 1.00 65.26 ? 185 ASP L CA 1 ATOM 6994 C C . ASP D 4 186 ? 3.316 34.496 -15.882 1.00 67.46 ? 185 ASP L C 1 ATOM 6995 O O . ASP D 4 186 ? 2.135 34.243 -16.121 1.00 68.70 ? 185 ASP L O 1 ATOM 6996 C CB . ASP D 4 186 ? 4.510 32.802 -14.470 1.00 68.02 ? 185 ASP L CB 1 ATOM 6997 C CG . ASP D 4 186 ? 5.391 31.568 -14.434 1.00 73.48 ? 185 ASP L CG 1 ATOM 6998 O OD1 . ASP D 4 186 ? 5.538 30.904 -15.482 1.00 76.48 ? 185 ASP L OD1 1 ATOM 6999 O OD2 . ASP D 4 186 ? 5.935 31.262 -13.352 1.00 76.68 ? 185 ASP L OD2 1 ATOM 7000 N N . TYR D 4 187 ? 3.754 35.723 -15.617 1.00 60.87 ? 186 TYR L N 1 ATOM 7001 C CA . TYR D 4 187 ? 2.865 36.875 -15.661 1.00 51.91 ? 186 TYR L CA 1 ATOM 7002 C C . TYR D 4 187 ? 2.376 37.136 -17.081 1.00 55.94 ? 186 TYR L C 1 ATOM 7003 O O . TYR D 4 187 ? 1.228 37.522 -17.289 1.00 69.15 ? 186 TYR L O 1 ATOM 7004 C CB . TYR D 4 187 ? 3.554 38.121 -15.098 1.00 52.74 ? 186 TYR L CB 1 ATOM 7005 C CG . TYR D 4 187 ? 2.795 39.408 -15.336 1.00 52.34 ? 186 TYR L CG 1 ATOM 7006 C CD1 . TYR D 4 187 ? 1.624 39.689 -14.640 1.00 45.33 ? 186 TYR L CD1 1 ATOM 7007 C CD2 . TYR D 4 187 ? 3.253 40.346 -16.251 1.00 62.15 ? 186 TYR L CD2 1 ATOM 7008 C CE1 . TYR D 4 187 ? 0.928 40.865 -14.856 1.00 47.70 ? 186 TYR L CE1 1 ATOM 7009 C CE2 . TYR D 4 187 ? 2.563 41.524 -16.473 1.00 71.87 ? 186 TYR L CE2 1 ATOM 7010 C CZ . TYR D 4 187 ? 1.403 41.779 -15.773 1.00 62.65 ? 186 TYR L CZ 1 ATOM 7011 O OH . TYR D 4 187 ? 0.717 42.953 -15.992 1.00 59.71 ? 186 TYR L OH 1 ATOM 7012 N N . GLU D 4 188 ? 3.251 36.915 -18.057 1.00 56.81 ? 187 GLU L N 1 ATOM 7013 C CA . GLU D 4 188 ? 2.910 37.138 -19.458 1.00 66.63 ? 187 GLU L CA 1 ATOM 7014 C C . GLU D 4 188 ? 2.063 36.002 -20.029 1.00 68.25 ? 187 GLU L C 1 ATOM 7015 O O . GLU D 4 188 ? 1.519 36.115 -21.128 1.00 57.80 ? 187 GLU L O 1 ATOM 7016 C CB . GLU D 4 188 ? 4.179 37.322 -20.296 1.00 69.89 ? 187 GLU L CB 1 ATOM 7017 C CG . GLU D 4 188 ? 4.945 38.605 -20.005 1.00 74.35 ? 187 GLU L CG 1 ATOM 7018 C CD . GLU D 4 188 ? 4.215 39.848 -20.482 1.00 87.45 ? 187 GLU L CD 1 ATOM 7019 O OE1 . GLU D 4 188 ? 3.525 39.777 -21.522 1.00 94.37 ? 187 GLU L OE1 1 ATOM 7020 O OE2 . GLU D 4 188 ? 4.330 40.899 -19.816 1.00 90.60 ? 187 GLU L OE2 1 ATOM 7021 N N . LYS D 4 189 ? 1.952 34.910 -19.277 1.00 71.40 ? 188 LYS L N 1 ATOM 7022 C CA . LYS D 4 189 ? 1.214 33.735 -19.731 1.00 61.57 ? 188 LYS L CA 1 ATOM 7023 C C . LYS D 4 189 ? -0.292 33.849 -19.493 1.00 65.37 ? 188 LYS L C 1 ATOM 7024 O O . LYS D 4 189 ? -1.072 33.081 -20.057 1.00 68.99 ? 188 LYS L O 1 ATOM 7025 C CB . LYS D 4 189 ? 1.758 32.462 -19.069 1.00 50.73 ? 188 LYS L CB 1 ATOM 7026 C CG . LYS D 4 189 ? 3.102 31.998 -19.623 1.00 56.96 ? 188 LYS L CG 1 ATOM 7027 C CD . LYS D 4 189 ? 3.208 30.474 -19.633 1.00 64.88 ? 188 LYS L CD 1 ATOM 7028 C CE . LYS D 4 189 ? 3.998 29.942 -18.444 1.00 63.36 ? 188 LYS L CE 1 ATOM 7029 N NZ . LYS D 4 189 ? 5.460 30.203 -18.582 1.00 62.13 ? 188 LYS L NZ 1 ATOM 7030 N N . HIS D 4 190 ? -0.694 34.810 -18.667 1.00 67.33 ? 189 HIS L N 1 ATOM 7031 C CA . HIS D 4 190 ? -2.099 34.971 -18.301 1.00 68.03 ? 189 HIS L CA 1 ATOM 7032 C C . HIS D 4 190 ? -2.629 36.354 -18.677 1.00 72.39 ? 189 HIS L C 1 ATOM 7033 O O . HIS D 4 190 ? -1.852 37.270 -18.948 1.00 75.50 ? 189 HIS L O 1 ATOM 7034 C CB . HIS D 4 190 ? -2.293 34.719 -16.805 1.00 69.51 ? 189 HIS L CB 1 ATOM 7035 C CG . HIS D 4 190 ? -1.904 33.340 -16.370 1.00 81.70 ? 189 HIS L CG 1 ATOM 7036 N ND1 . HIS D 4 190 ? -0.606 32.879 -16.427 1.00 87.54 ? 189 HIS L ND1 1 ATOM 7037 C CD2 . HIS D 4 190 ? -2.643 32.321 -15.872 1.00 88.57 ? 189 HIS L CD2 1 ATOM 7038 C CE1 . HIS D 4 190 ? -0.562 31.636 -15.982 1.00 88.47 ? 189 HIS L CE1 1 ATOM 7039 N NE2 . HIS D 4 190 ? -1.785 31.274 -15.639 1.00 90.90 ? 189 HIS L NE2 1 ATOM 7040 N N . LYS D 4 191 ? -3.952 36.501 -18.684 1.00 67.15 ? 190 LYS L N 1 ATOM 7041 C CA . LYS D 4 191 ? -4.582 37.744 -19.130 1.00 71.44 ? 190 LYS L CA 1 ATOM 7042 C C . LYS D 4 191 ? -5.195 38.561 -17.993 1.00 87.23 ? 190 LYS L C 1 ATOM 7043 O O . LYS D 4 191 ? -4.750 39.673 -17.708 1.00 94.78 ? 190 LYS L O 1 ATOM 7044 C CB . LYS D 4 191 ? -5.641 37.462 -20.201 1.00 63.58 ? 190 LYS L CB 1 ATOM 7045 C CG . LYS D 4 191 ? -6.342 38.712 -20.717 1.00 69.12 ? 190 LYS L CG 1 ATOM 7046 C CD . LYS D 4 191 ? -7.117 38.438 -22.000 1.00 77.59 ? 190 LYS L CD 1 ATOM 7047 C CE . LYS D 4 191 ? -7.787 39.702 -22.525 1.00 69.57 ? 190 LYS L CE 1 ATOM 7048 N NZ . LYS D 4 191 ? -8.392 39.505 -23.871 1.00 52.54 ? 190 LYS L NZ 1 ATOM 7049 N N . VAL D 4 192 ? -6.218 38.010 -17.349 1.00 92.78 ? 191 VAL L N 1 ATOM 7050 C CA . VAL D 4 192 ? -6.936 38.742 -16.311 1.00 89.83 ? 191 VAL L CA 1 ATOM 7051 C C . VAL D 4 192 ? -6.468 38.399 -14.895 1.00 86.11 ? 191 VAL L C 1 ATOM 7052 O O . VAL D 4 192 ? -6.509 37.242 -14.472 1.00 89.17 ? 191 VAL L O 1 ATOM 7053 C CB . VAL D 4 192 ? -8.469 38.552 -16.436 1.00 94.63 ? 191 VAL L CB 1 ATOM 7054 C CG1 . VAL D 4 192 ? -8.815 37.097 -16.719 1.00 99.71 ? 191 VAL L CG1 1 ATOM 7055 C CG2 . VAL D 4 192 ? -9.179 39.061 -15.188 1.00 94.87 ? 191 VAL L CG2 1 ATOM 7056 N N . TYR D 4 193 ? -6.012 39.423 -14.177 1.00 81.13 ? 192 TYR L N 1 ATOM 7057 C CA . TYR D 4 193 ? -5.622 39.290 -12.777 1.00 84.24 ? 192 TYR L CA 1 ATOM 7058 C C . TYR D 4 193 ? -6.641 39.987 -11.889 1.00 89.60 ? 192 TYR L C 1 ATOM 7059 O O . TYR D 4 193 ? -7.044 41.115 -12.166 1.00 98.03 ? 192 TYR L O 1 ATOM 7060 C CB . TYR D 4 193 ? -4.238 39.893 -12.546 1.00 86.46 ? 192 TYR L CB 1 ATOM 7061 C CG . TYR D 4 193 ? -3.140 39.096 -13.196 1.00 84.71 ? 192 TYR L CG 1 ATOM 7062 C CD1 . TYR D 4 193 ? -2.719 39.381 -14.487 1.00 81.12 ? 192 TYR L CD1 1 ATOM 7063 C CD2 . TYR D 4 193 ? -2.538 38.044 -12.526 1.00 82.74 ? 192 TYR L CD2 1 ATOM 7064 C CE1 . TYR D 4 193 ? -1.725 38.645 -15.087 1.00 74.86 ? 192 TYR L CE1 1 ATOM 7065 C CE2 . TYR D 4 193 ? -1.545 37.300 -13.117 1.00 78.72 ? 192 TYR L CE2 1 ATOM 7066 C CZ . TYR D 4 193 ? -1.142 37.605 -14.397 1.00 74.31 ? 192 TYR L CZ 1 ATOM 7067 O OH . TYR D 4 193 ? -0.152 36.863 -14.986 1.00 76.74 ? 192 TYR L OH 1 ATOM 7068 N N . ALA D 4 194 ? -7.050 39.319 -10.816 1.00 77.89 ? 193 ALA L N 1 ATOM 7069 C CA . ALA D 4 194 ? -8.126 39.835 -9.978 1.00 70.81 ? 193 ALA L CA 1 ATOM 7070 C C . ALA D 4 194 ? -7.959 39.498 -8.498 1.00 71.98 ? 193 ALA L C 1 ATOM 7071 O O . ALA D 4 194 ? -7.489 38.415 -8.149 1.00 66.65 ? 193 ALA L O 1 ATOM 7072 C CB . ALA D 4 194 ? -9.460 39.319 -10.484 1.00 61.41 ? 193 ALA L CB 1 ATOM 7073 N N . CYS D 4 195 ? -8.352 40.434 -7.636 1.00 87.85 ? 194 CYS L N 1 ATOM 7074 C CA . CYS D 4 195 ? -8.439 40.170 -6.202 1.00 95.97 ? 194 CYS L CA 1 ATOM 7075 C C . CYS D 4 195 ? -9.829 40.505 -5.666 1.00 105.62 ? 194 CYS L C 1 ATOM 7076 O O . CYS D 4 195 ? -10.325 41.619 -5.844 1.00 102.71 ? 194 CYS L O 1 ATOM 7077 C CB . CYS D 4 195 ? -7.360 40.923 -5.417 1.00 85.11 ? 194 CYS L CB 1 ATOM 7078 S SG . CYS D 4 195 ? -7.379 42.723 -5.585 1.00 130.28 ? 194 CYS L SG 1 ATOM 7079 N N . GLU D 4 196 ? -10.452 39.530 -5.011 1.00 106.70 ? 195 GLU L N 1 ATOM 7080 C CA . GLU D 4 196 ? -11.803 39.693 -4.485 1.00 102.16 ? 195 GLU L CA 1 ATOM 7081 C C . GLU D 4 196 ? -11.781 39.824 -2.964 1.00 96.25 ? 195 GLU L C 1 ATOM 7082 O O . GLU D 4 196 ? -10.966 39.198 -2.289 1.00 89.57 ? 195 GLU L O 1 ATOM 7083 C CB . GLU D 4 196 ? -12.684 38.517 -4.909 1.00 107.26 ? 195 GLU L CB 1 ATOM 7084 C CG . GLU D 4 196 ? -14.171 38.821 -4.906 1.00 113.36 ? 195 GLU L CG 1 ATOM 7085 C CD . GLU D 4 196 ? -14.982 37.746 -5.601 1.00 117.16 ? 195 GLU L CD 1 ATOM 7086 O OE1 . GLU D 4 196 ? -14.524 36.584 -5.637 1.00 118.64 ? 195 GLU L OE1 1 ATOM 7087 O OE2 . GLU D 4 196 ? -16.074 38.063 -6.118 1.00 118.60 ? 195 GLU L OE2 1 ATOM 7088 N N . VAL D 4 197 ? -12.684 40.642 -2.429 1.00 95.77 ? 196 VAL L N 1 ATOM 7089 C CA . VAL D 4 197 ? -12.668 40.974 -1.010 1.00 97.59 ? 196 VAL L CA 1 ATOM 7090 C C . VAL D 4 197 ? -13.999 40.689 -0.318 1.00 100.56 ? 196 VAL L C 1 ATOM 7091 O O . VAL D 4 197 ? -15.067 40.954 -0.870 1.00 96.19 ? 196 VAL L O 1 ATOM 7092 C CB . VAL D 4 197 ? -12.298 42.461 -0.796 1.00 92.94 ? 196 VAL L CB 1 ATOM 7093 C CG1 . VAL D 4 197 ? -12.060 42.755 0.677 1.00 90.88 ? 196 VAL L CG1 1 ATOM 7094 C CG2 . VAL D 4 197 ? -11.072 42.828 -1.613 1.00 90.50 ? 196 VAL L CG2 1 ATOM 7095 N N . THR D 4 198 ? -13.924 40.139 0.891 1.00 113.89 ? 197 THR L N 1 ATOM 7096 C CA . THR D 4 198 ? -15.098 40.010 1.744 1.00 119.78 ? 197 THR L CA 1 ATOM 7097 C C . THR D 4 198 ? -14.826 40.597 3.126 1.00 117.30 ? 197 THR L C 1 ATOM 7098 O O . THR D 4 198 ? -14.233 39.955 3.995 1.00 120.96 ? 197 THR L O 1 ATOM 7099 C CB . THR D 4 198 ? -15.590 38.547 1.873 1.00 122.76 ? 197 THR L CB 1 ATOM 7100 O OG1 . THR D 4 198 ? -15.995 38.064 0.586 1.00 127.99 ? 197 THR L OG1 1 ATOM 7101 C CG2 . THR D 4 198 ? -16.769 38.466 2.836 1.00 115.82 ? 197 THR L CG2 1 ATOM 7102 N N . HIS D 4 199 ? -15.236 41.847 3.294 1.00 115.33 ? 198 HIS L N 1 ATOM 7103 C CA . HIS D 4 199 ? -15.279 42.498 4.591 1.00 107.22 ? 198 HIS L CA 1 ATOM 7104 C C . HIS D 4 199 ? -16.731 42.860 4.851 1.00 107.02 ? 198 HIS L C 1 ATOM 7105 O O . HIS D 4 199 ? -17.416 42.178 5.612 1.00 104.75 ? 198 HIS L O 1 ATOM 7106 C CB . HIS D 4 199 ? -14.403 43.754 4.584 1.00 103.59 ? 198 HIS L CB 1 ATOM 7107 C CG . HIS D 4 199 ? -14.525 44.593 5.821 1.00 98.72 ? 198 HIS L CG 1 ATOM 7108 N ND1 . HIS D 4 199 ? -13.991 44.216 7.033 1.00 98.71 ? 198 HIS L ND1 1 ATOM 7109 C CD2 . HIS D 4 199 ? -15.113 45.796 6.026 1.00 97.99 ? 198 HIS L CD2 1 ATOM 7110 C CE1 . HIS D 4 199 ? -14.252 45.146 7.935 1.00 98.41 ? 198 HIS L CE1 1 ATOM 7111 N NE2 . HIS D 4 199 ? -14.932 46.114 7.350 1.00 98.90 ? 198 HIS L NE2 1 ATOM 7112 N N . GLN D 4 200 ? -17.186 43.925 4.192 1.00 121.76 ? 199 GLN L N 1 ATOM 7113 C CA . GLN D 4 200 ? -18.566 44.397 4.264 1.00 123.43 ? 199 GLN L CA 1 ATOM 7114 C C . GLN D 4 200 ? -18.735 45.634 3.374 1.00 133.74 ? 199 GLN L C 1 ATOM 7115 O O . GLN D 4 200 ? -17.837 46.476 3.298 1.00 136.20 ? 199 GLN L O 1 ATOM 7116 C CB . GLN D 4 200 ? -18.980 44.692 5.702 1.00 110.03 ? 199 GLN L CB 1 ATOM 7117 C CG . GLN D 4 200 ? -20.156 43.860 6.156 1.00 109.42 ? 199 GLN L CG 1 ATOM 7118 C CD . GLN D 4 200 ? -20.134 43.600 7.640 1.00 112.05 ? 199 GLN L CD 1 ATOM 7119 O OE1 . GLN D 4 200 ? -21.084 43.922 8.354 1.00 112.42 ? 199 GLN L OE1 1 ATOM 7120 N NE2 . GLN D 4 200 ? -19.044 43.017 8.118 1.00 111.59 ? 199 GLN L NE2 1 ATOM 7121 N N . GLY D 4 201 ? -19.877 45.722 2.697 1.00 146.22 ? 200 GLY L N 1 ATOM 7122 C CA . GLY D 4 201 ? -20.048 46.660 1.602 1.00 156.37 ? 200 GLY L CA 1 ATOM 7123 C C . GLY D 4 201 ? -20.899 46.024 0.514 1.00 167.75 ? 200 GLY L C 1 ATOM 7124 O O . GLY D 4 201 ? -20.383 45.422 -0.440 1.00 173.03 ? 200 GLY L O 1 ATOM 7125 N N . LEU D 4 202 ? -22.212 46.209 0.653 1.00 161.80 ? 201 LEU L N 1 ATOM 7126 C CA . LEU D 4 202 ? -23.233 45.395 -0.015 1.00 164.46 ? 201 LEU L CA 1 ATOM 7127 C C . LEU D 4 202 ? -23.041 43.914 0.340 1.00 177.19 ? 201 LEU L C 1 ATOM 7128 O O . LEU D 4 202 ? -23.394 43.018 -0.434 1.00 183.51 ? 201 LEU L O 1 ATOM 7129 C CB . LEU D 4 202 ? -23.252 45.613 -1.537 1.00 149.94 ? 201 LEU L CB 1 ATOM 7130 C CG . LEU D 4 202 ? -24.364 46.497 -2.124 1.00 136.17 ? 201 LEU L CG 1 ATOM 7131 C CD1 . LEU D 4 202 ? -24.221 46.630 -3.635 1.00 127.21 ? 201 LEU L CD1 1 ATOM 7132 C CD2 . LEU D 4 202 ? -25.737 45.962 -1.772 1.00 135.11 ? 201 LEU L CD2 1 ATOM 7133 N N . SER D 4 203 ? -22.487 43.700 1.534 1.00 184.63 ? 202 SER L N 1 ATOM 7134 C CA . SER D 4 203 ? -22.115 42.396 2.075 1.00 183.38 ? 202 SER L CA 1 ATOM 7135 C C . SER D 4 203 ? -21.476 41.446 1.066 1.00 185.59 ? 202 SER L C 1 ATOM 7136 O O . SER D 4 203 ? -22.065 40.414 0.742 1.00 190.06 ? 202 SER L O 1 ATOM 7137 C CB . SER D 4 203 ? -23.307 41.728 2.771 1.00 180.11 ? 202 SER L CB 1 ATOM 7138 O OG . SER D 4 203 ? -23.812 42.529 3.818 1.00 175.37 ? 202 SER L OG 1 ATOM 7139 N N . SER D 4 204 ? -20.291 41.814 0.568 1.00 181.06 ? 203 SER L N 1 ATOM 7140 C CA . SER D 4 204 ? -19.473 40.938 -0.281 1.00 178.57 ? 203 SER L CA 1 ATOM 7141 C C . SER D 4 204 ? -20.120 40.683 -1.652 1.00 179.60 ? 203 SER L C 1 ATOM 7142 O O . SER D 4 204 ? -21.333 40.819 -1.795 1.00 184.34 ? 203 SER L O 1 ATOM 7143 C CB . SER D 4 204 ? -19.216 39.616 0.456 1.00 176.40 ? 203 SER L CB 1 ATOM 7144 O OG . SER D 4 204 ? -18.128 38.896 -0.101 1.00 172.63 ? 203 SER L OG 1 ATOM 7145 N N . PRO D 4 205 ? -19.321 40.338 -2.679 1.00 180.64 ? 204 PRO L N 1 ATOM 7146 C CA . PRO D 4 205 ? -17.864 40.276 -2.816 1.00 174.65 ? 204 PRO L CA 1 ATOM 7147 C C . PRO D 4 205 ? -17.331 41.185 -3.924 1.00 166.48 ? 204 PRO L C 1 ATOM 7148 O O . PRO D 4 205 ? -17.018 40.704 -5.017 1.00 171.62 ? 204 PRO L O 1 ATOM 7149 C CB . PRO D 4 205 ? -17.647 38.822 -3.221 1.00 178.03 ? 204 PRO L CB 1 ATOM 7150 C CG . PRO D 4 205 ? -18.891 38.480 -4.044 1.00 180.35 ? 204 PRO L CG 1 ATOM 7151 C CD . PRO D 4 205 ? -19.977 39.481 -3.683 1.00 181.63 ? 204 PRO L CD 1 ATOM 7152 N N . VAL D 4 206 ? -17.214 42.477 -3.636 1.00 135.47 ? 205 VAL L N 1 ATOM 7153 C CA . VAL D 4 206 ? -16.666 43.438 -4.592 1.00 123.65 ? 205 VAL L CA 1 ATOM 7154 C C . VAL D 4 206 ? -15.258 43.052 -5.050 1.00 113.53 ? 205 VAL L C 1 ATOM 7155 O O . VAL D 4 206 ? -14.372 42.810 -4.231 1.00 108.78 ? 205 VAL L O 1 ATOM 7156 C CB . VAL D 4 206 ? -16.648 44.872 -3.996 1.00 125.93 ? 205 VAL L CB 1 ATOM 7157 C CG1 . VAL D 4 206 ? -16.210 44.837 -2.540 1.00 128.85 ? 205 VAL L CG1 1 ATOM 7158 C CG2 . VAL D 4 206 ? -15.753 45.795 -4.818 1.00 119.80 ? 205 VAL L CG2 1 ATOM 7159 N N . THR D 4 207 ? -15.067 42.988 -6.365 1.00 124.48 ? 206 THR L N 1 ATOM 7160 C CA . THR D 4 207 ? -13.791 42.568 -6.935 1.00 117.59 ? 206 THR L CA 1 ATOM 7161 C C . THR D 4 207 ? -13.176 43.652 -7.818 1.00 111.77 ? 206 THR L C 1 ATOM 7162 O O . THR D 4 207 ? -13.870 44.546 -8.307 1.00 112.31 ? 206 THR L O 1 ATOM 7163 C CB . THR D 4 207 ? -13.933 41.258 -7.750 1.00 106.38 ? 206 THR L CB 1 ATOM 7164 O OG1 . THR D 4 207 ? -12.665 40.594 -7.838 1.00 103.12 ? 206 THR L OG1 1 ATOM 7165 C CG2 . THR D 4 207 ? -14.454 41.543 -9.153 1.00 95.95 ? 206 THR L CG2 1 ATOM 7166 N N . LYS D 4 208 ? -11.864 43.562 -8.010 1.00 95.90 ? 207 LYS L N 1 ATOM 7167 C CA . LYS D 4 208 ? -11.128 44.494 -8.853 1.00 95.10 ? 207 LYS L CA 1 ATOM 7168 C C . LYS D 4 208 ? -10.189 43.707 -9.760 1.00 98.04 ? 207 LYS L C 1 ATOM 7169 O O . LYS D 4 208 ? -9.377 42.914 -9.287 1.00 97.74 ? 207 LYS L O 1 ATOM 7170 C CB . LYS D 4 208 ? -10.337 45.480 -7.993 1.00 90.97 ? 207 LYS L CB 1 ATOM 7171 C CG . LYS D 4 208 ? -11.167 46.624 -7.437 1.00 87.69 ? 207 LYS L CG 1 ATOM 7172 C CD . LYS D 4 208 ? -11.649 47.532 -8.556 1.00 90.18 ? 207 LYS L CD 1 ATOM 7173 C CE . LYS D 4 208 ? -12.405 48.734 -8.017 1.00 88.23 ? 207 LYS L CE 1 ATOM 7174 N NZ . LYS D 4 208 ? -12.832 49.642 -9.117 1.00 85.57 ? 207 LYS L NZ 1 ATOM 7175 N N . SER D 4 209 ? -10.305 43.928 -11.064 1.00 94.50 ? 208 SER L N 1 ATOM 7176 C CA . SER D 4 209 ? -9.582 43.125 -12.041 1.00 89.57 ? 208 SER L CA 1 ATOM 7177 C C . SER D 4 209 ? -9.002 43.978 -13.164 1.00 83.81 ? 208 SER L C 1 ATOM 7178 O O . SER D 4 209 ? -9.612 44.959 -13.577 1.00 77.51 ? 208 SER L O 1 ATOM 7179 C CB . SER D 4 209 ? -10.520 42.076 -12.643 1.00 98.77 ? 208 SER L CB 1 ATOM 7180 O OG . SER D 4 209 ? -11.406 41.553 -11.668 1.00 109.48 ? 208 SER L OG 1 ATOM 7181 N N . PHE D 4 210 ? -7.828 43.594 -13.659 1.00 89.44 ? 209 PHE L N 1 ATOM 7182 C CA . PHE D 4 210 ? -7.261 44.226 -14.849 1.00 86.28 ? 209 PHE L CA 1 ATOM 7183 C C . PHE D 4 210 ? -6.827 43.183 -15.879 1.00 84.93 ? 209 PHE L C 1 ATOM 7184 O O . PHE D 4 210 ? -6.281 42.139 -15.524 1.00 83.19 ? 209 PHE L O 1 ATOM 7185 C CB . PHE D 4 210 ? -6.081 45.142 -14.492 1.00 82.16 ? 209 PHE L CB 1 ATOM 7186 C CG . PHE D 4 210 ? -4.845 44.404 -14.048 1.00 86.04 ? 209 PHE L CG 1 ATOM 7187 C CD1 . PHE D 4 210 ? -3.828 44.116 -14.944 1.00 83.49 ? 209 PHE L CD1 1 ATOM 7188 C CD2 . PHE D 4 210 ? -4.701 44.004 -12.732 1.00 90.89 ? 209 PHE L CD2 1 ATOM 7189 C CE1 . PHE D 4 210 ? -2.694 43.438 -14.535 1.00 81.13 ? 209 PHE L CE1 1 ATOM 7190 C CE2 . PHE D 4 210 ? -3.570 43.327 -12.316 1.00 87.46 ? 209 PHE L CE2 1 ATOM 7191 C CZ . PHE D 4 210 ? -2.565 43.043 -13.219 1.00 82.40 ? 209 PHE L CZ 1 ATOM 7192 N N . ASN D 4 211 ? -7.089 43.470 -17.151 1.00 84.87 ? 210 ASN L N 1 ATOM 7193 C CA . ASN D 4 211 ? -6.579 42.653 -18.247 1.00 87.55 ? 210 ASN L CA 1 ATOM 7194 C C . ASN D 4 211 ? -5.163 43.075 -18.615 1.00 80.96 ? 210 ASN L C 1 ATOM 7195 O O . ASN D 4 211 ? -4.903 44.255 -18.849 1.00 83.93 ? 210 ASN L O 1 ATOM 7196 C CB . ASN D 4 211 ? -7.491 42.752 -19.475 1.00 94.89 ? 210 ASN L CB 1 ATOM 7197 C CG . ASN D 4 211 ? -8.713 41.857 -19.371 1.00 96.16 ? 210 ASN L CG 1 ATOM 7198 O OD1 . ASN D 4 211 ? -8.715 40.875 -18.629 1.00 98.89 ? 210 ASN L OD1 1 ATOM 7199 N ND2 . ASN D 4 211 ? -9.757 42.187 -20.124 1.00 90.62 ? 210 ASN L ND2 1 ATOM 7200 N N . ARG D 4 212 ? -4.251 42.108 -18.662 1.00 75.11 ? 211 ARG L N 1 ATOM 7201 C CA . ARG D 4 212 ? -2.842 42.387 -18.925 1.00 79.36 ? 211 ARG L CA 1 ATOM 7202 C C . ARG D 4 212 ? -2.635 43.059 -20.280 1.00 90.88 ? 211 ARG L C 1 ATOM 7203 O O . ARG D 4 212 ? -2.933 42.480 -21.325 1.00 98.40 ? 211 ARG L O 1 ATOM 7204 C CB . ARG D 4 212 ? -2.019 41.101 -18.843 1.00 76.38 ? 211 ARG L CB 1 ATOM 7205 C CG . ARG D 4 212 ? -0.517 41.322 -18.886 1.00 71.75 ? 211 ARG L CG 1 ATOM 7206 C CD . ARG D 4 212 ? 0.224 40.005 -18.994 1.00 68.92 ? 211 ARG L CD 1 ATOM 7207 N NE . ARG D 4 212 ? -0.294 39.188 -20.088 1.00 69.33 ? 211 ARG L NE 1 ATOM 7208 C CZ . ARG D 4 212 ? 0.073 39.322 -21.358 1.00 75.20 ? 211 ARG L CZ 1 ATOM 7209 N NH1 . ARG D 4 212 ? 0.963 40.245 -21.698 1.00 76.95 ? 211 ARG L NH1 1 ATOM 7210 N NH2 . ARG D 4 212 ? -0.450 38.536 -22.290 1.00 79.42 ? 211 ARG L NH2 1 ATOM 7211 N N . GLY D 4 213 ? -2.122 44.285 -20.252 1.00 96.97 ? 212 GLY L N 1 ATOM 7212 C CA . GLY D 4 213 ? -1.912 45.053 -21.465 1.00 95.05 ? 212 GLY L CA 1 ATOM 7213 C C . GLY D 4 213 ? -3.002 46.083 -21.693 1.00 89.92 ? 212 GLY L C 1 ATOM 7214 O O . GLY D 4 213 ? -4.166 45.738 -21.905 1.00 81.74 ? 212 GLY L O 1 HETATM 7215 C C1 . NAG E 5 . ? 29.884 -7.884 55.214 1.00 51.24 ? 401 NAG A C1 1 HETATM 7216 C C2 . NAG E 5 . ? 29.848 -9.150 54.365 1.00 56.46 ? 401 NAG A C2 1 HETATM 7217 C C3 . NAG E 5 . ? 30.229 -10.355 55.213 1.00 62.43 ? 401 NAG A C3 1 HETATM 7218 C C4 . NAG E 5 . ? 31.549 -10.109 55.938 1.00 67.38 ? 401 NAG A C4 1 HETATM 7219 C C5 . NAG E 5 . ? 31.606 -8.737 56.609 1.00 54.22 ? 401 NAG A C5 1 HETATM 7220 C C6 . NAG E 5 . ? 33.024 -8.421 57.076 1.00 61.85 ? 401 NAG A C6 1 HETATM 7221 C C7 . NAG E 5 . ? 28.368 -9.404 52.466 1.00 65.64 ? 401 NAG A C7 1 HETATM 7222 C C8 . NAG E 5 . ? 28.265 -10.777 51.866 1.00 58.12 ? 401 NAG A C8 1 HETATM 7223 N N2 . NAG E 5 . ? 28.535 -9.341 53.784 1.00 60.35 ? 401 NAG A N2 1 HETATM 7224 O O3 . NAG E 5 . ? 30.315 -11.500 54.393 1.00 60.65 ? 401 NAG A O3 1 HETATM 7225 O O4 . NAG E 5 . ? 31.710 -11.101 56.927 1.00 82.71 ? 401 NAG A O4 1 HETATM 7226 O O5 . NAG E 5 . ? 31.184 -7.708 55.738 1.00 47.95 ? 401 NAG A O5 1 HETATM 7227 O O6 . NAG E 5 . ? 33.088 -7.084 57.518 1.00 71.87 ? 401 NAG A O6 1 HETATM 7228 O O7 . NAG E 5 . ? 28.301 -8.403 51.752 1.00 73.91 ? 401 NAG A O7 1 HETATM 7229 C C1 . NAG F 5 . ? 32.803 -11.972 56.583 1.00 98.13 ? 402 NAG A C1 1 HETATM 7230 C C2 . NAG F 5 . ? 33.000 -12.970 57.719 1.00 102.63 ? 402 NAG A C2 1 HETATM 7231 C C3 . NAG F 5 . ? 34.124 -13.951 57.408 1.00 111.94 ? 402 NAG A C3 1 HETATM 7232 C C4 . NAG F 5 . ? 34.005 -14.502 55.992 1.00 117.56 ? 402 NAG A C4 1 HETATM 7233 C C5 . NAG F 5 . ? 33.786 -13.372 54.990 1.00 111.79 ? 402 NAG A C5 1 HETATM 7234 C C6 . NAG F 5 . ? 33.642 -13.905 53.569 1.00 109.85 ? 402 NAG A C6 1 HETATM 7235 C C7 . NAG F 5 . ? 32.463 -12.289 59.991 1.00 89.66 ? 402 NAG A C7 1 HETATM 7236 C C8 . NAG F 5 . ? 31.545 -11.118 60.187 1.00 74.54 ? 402 NAG A C8 1 HETATM 7237 N N2 . NAG F 5 . ? 33.283 -12.245 58.944 1.00 98.16 ? 402 NAG A N2 1 HETATM 7238 O O3 . NAG F 5 . ? 34.081 -15.020 58.326 1.00 111.87 ? 402 NAG A O3 1 HETATM 7239 O O4 . NAG F 5 . ? 35.177 -15.219 55.668 1.00 122.49 ? 402 NAG A O4 1 HETATM 7240 O O5 . NAG F 5 . ? 32.638 -12.637 55.349 1.00 106.15 ? 402 NAG A O5 1 HETATM 7241 O O6 . NAG F 5 . ? 32.730 -14.982 53.559 1.00 110.50 ? 402 NAG A O6 1 HETATM 7242 O O7 . NAG F 5 . ? 32.441 -13.232 60.779 1.00 95.87 ? 402 NAG A O7 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 . PRO A 1 ? 1.7103 1.3274 1.2616 -0.1587 -0.0932 -0.1500 9 PRO A N 2 C CA . PRO A 1 ? 1.6895 1.3123 1.2545 -0.1513 -0.0891 -0.1495 9 PRO A CA 3 C C . PRO A 1 ? 1.6365 1.2803 1.2148 -0.1506 -0.0898 -0.1489 9 PRO A C 4 O O . PRO A 1 ? 1.6990 1.3497 1.2735 -0.1531 -0.0923 -0.1493 9 PRO A O 5 C CB . PRO A 1 ? 1.6135 1.2381 1.1866 -0.1554 -0.0901 -0.1474 9 PRO A CB 6 C CG . PRO A 1 ? 1.5987 1.2098 1.1579 -0.1618 -0.0927 -0.1475 9 PRO A CG 7 C CD . PRO A 1 ? 1.6700 1.2833 1.2196 -0.1664 -0.0961 -0.1485 9 PRO A CD 8 N N . GLY A 2 ? 1.3087 0.9625 0.9026 -0.1471 -0.0877 -0.1477 10 GLY A N 9 C CA . GLY A 2 ? 1.1401 0.8146 0.7480 -0.1469 -0.0884 -0.1468 10 GLY A CA 10 C C . GLY A 2 ? 1.0396 0.7304 0.6601 -0.1549 -0.0922 -0.1440 10 GLY A C 11 O O . GLY A 2 ? 1.1409 0.8263 0.7606 -0.1591 -0.0934 -0.1429 10 GLY A O 12 N N . ASP A 3 ? 0.9236 0.6344 0.5555 -0.1569 -0.0940 -0.1428 11 ASP A N 13 C CA . ASP A 3 ? 1.0557 0.7837 0.7012 -0.1638 -0.0971 -0.1398 11 ASP A CA 14 C C . ASP A 3 ? 1.0503 0.7868 0.7118 -0.1592 -0.0940 -0.1389 11 ASP A C 15 O O . ASP A 3 ? 1.0364 0.7759 0.7028 -0.1522 -0.0908 -0.1401 11 ASP A O 16 C CB . ASP A 3 ? 1.2086 0.9545 0.8581 -0.1692 -0.1011 -0.1385 11 ASP A CB 17 C CG . ASP A 3 ? 1.3335 1.0736 0.9696 -0.1761 -0.1053 -0.1386 11 ASP A CG 18 O OD1 . ASP A 3 ? 1.4797 1.2005 1.1015 -0.1756 -0.1046 -0.1403 11 ASP A OD1 19 O OD2 . ASP A 3 ? 1.2848 1.0398 0.9248 -0.1820 -0.1092 -0.1369 11 ASP A OD2 20 N N . GLN A 4 ? 1.0234 0.7635 0.6927 -0.1631 -0.0950 -0.1368 12 GLN A N 21 C CA . GLN A 4 ? 1.0029 0.7477 0.6857 -0.1585 -0.0919 -0.1361 12 GLN A CA 22 C C . GLN A 4 ? 0.9592 0.7231 0.6578 -0.1638 -0.0940 -0.1330 12 GLN A C 23 O O . GLN A 4 ? 1.0891 0.8584 0.7873 -0.1717 -0.0976 -0.1310 12 GLN A O 24 C CB . GLN A 4 ? 0.9514 0.6778 0.6281 -0.1554 -0.0895 -0.1368 12 GLN A CB 25 C CG . GLN A 4 ? 0.9901 0.6969 0.6525 -0.1489 -0.0865 -0.1397 12 GLN A CG 26 C CD . GLN A 4 ? 0.9817 0.6741 0.6431 -0.1433 -0.0829 -0.1401 12 GLN A CD 27 O OE1 . GLN A 4 ? 1.0690 0.7671 0.7416 -0.1434 -0.0823 -0.1385 12 GLN A OE1 28 N NE2 . GLN A 4 ? 0.9155 0.5892 0.5636 -0.1383 -0.0804 -0.1421 12 GLN A NE2 29 N N . ILE A 5 ? 0.7076 0.4812 0.4202 -0.1593 -0.0913 -0.1325 13 ILE A N 30 C CA . ILE A 5 ? 0.6231 0.4115 0.3508 -0.1628 -0.0921 -0.1296 13 ILE A CA 31 C C . ILE A 5 ? 0.7568 0.5413 0.4924 -0.1561 -0.0882 -0.1302 13 ILE A C 32 O O . ILE A 5 ? 0.7957 0.5767 0.5323 -0.1487 -0.0849 -0.1323 13 ILE A O 33 C CB . ILE A 5 ? 0.7854 0.5964 0.5254 -0.1658 -0.0939 -0.1277 13 ILE A CB 34 C CG1 . ILE A 5 ? 0.6816 0.5070 0.4360 -0.1702 -0.0948 -0.1243 13 ILE A CG1 35 C CG2 . ILE A 5 ? 0.5940 0.4108 0.3400 -0.1587 -0.0908 -0.1294 13 ILE A CG2 36 C CD1 . ILE A 5 ? 0.7216 0.5695 0.4882 -0.1738 -0.0966 -0.1218 13 ILE A CD1 37 N N . CYS A 6 ? 0.8210 0.6054 0.5617 -0.1586 -0.0885 -0.1283 14 CYS A N 38 C CA . CYS A 6 ? 0.7978 0.5768 0.5447 -0.1526 -0.0851 -0.1288 14 CYS A CA 39 C C . CYS A 6 ? 0.7374 0.5323 0.5007 -0.1546 -0.0853 -0.1261 14 CYS A C 40 O O . CYS A 6 ? 0.8907 0.6973 0.6586 -0.1615 -0.0881 -0.1235 14 CYS A O 41 C CB . CYS A 6 ? 0.8611 0.6204 0.5964 -0.1522 -0.0847 -0.1293 14 CYS A CB 42 S SG . CYS A 6 ? 1.2370 0.9760 0.9516 -0.1507 -0.0846 -0.1321 14 CYS A SG 43 N N . ILE A 7 ? 0.6248 0.4200 0.3970 -0.1485 -0.0821 -0.1266 15 ILE A N 44 C CA . ILE A 7 ? 0.7111 0.5192 0.4982 -0.1497 -0.0819 -0.1243 15 ILE A CA 45 C C . ILE A 7 ? 0.8313 0.6274 0.6163 -0.1483 -0.0809 -0.1239 15 ILE A C 46 O O . ILE A 7 ? 0.9342 0.7162 0.7140 -0.1421 -0.0784 -0.1259 15 ILE A O 47 C CB . ILE A 7 ? 0.7110 0.5302 0.5115 -0.1439 -0.0791 -0.1250 15 ILE A CB 48 C CG1 . ILE A 7 ? 0.7232 0.5533 0.5249 -0.1446 -0.0797 -0.1255 15 ILE A CG1 49 C CG2 . ILE A 7 ? 0.6569 0.4899 0.4727 -0.1456 -0.0790 -0.1223 15 ILE A CG2 50 C CD1 . ILE A 7 ? 0.8216 0.6662 0.6264 -0.1527 -0.0833 -0.1227 15 ILE A CD1 51 N N . GLY A 8 ? 0.8114 0.6128 0.6001 -0.1540 -0.0828 -0.1212 16 GLY A N 52 C CA . GLY A 8 ? 0.8457 0.6365 0.6321 -0.1535 -0.0821 -0.1206 16 GLY A CA 53 C C . GLY A 8 ? 0.7295 0.5326 0.5278 -0.1567 -0.0827 -0.1177 16 GLY A C 54 O O . GLY A 8 ? 0.6556 0.4756 0.4637 -0.1600 -0.0837 -0.1159 16 GLY A O 55 N N . TYR A 9 ? 0.6980 0.4925 0.4952 -0.1558 -0.0819 -0.1171 17 TYR A N 56 C CA . TYR A 9 ? 0.6867 0.4912 0.4944 -0.1582 -0.0822 -0.1144 17 TYR A CA 57 C C . TYR A 9 ? 0.6668 0.4624 0.4663 -0.1635 -0.0838 -0.1128 17 TYR A C 58 O O . TYR A 9 ? 0.5877 0.3668 0.3741 -0.1635 -0.0841 -0.1139 17 TYR A O 59 C CB . TYR A 9 ? 0.6405 0.4466 0.4584 -0.1513 -0.0793 -0.1150 17 TYR A CB 60 C CG . TYR A 9 ? 0.6599 0.4483 0.4701 -0.1450 -0.0773 -0.1174 17 TYR A CG 61 C CD1 . TYR A 9 ? 0.6999 0.4755 0.5033 -0.1454 -0.0773 -0.1167 17 TYR A CD1 62 C CD2 . TYR A 9 ? 0.7280 0.5125 0.5377 -0.1385 -0.0751 -0.1200 17 TYR A CD2 63 C CE1 . TYR A 9 ? 0.7697 0.5294 0.5664 -0.1395 -0.0753 -0.1185 17 TYR A CE1 64 C CE2 . TYR A 9 ? 0.8327 0.6011 0.6357 -0.1324 -0.0729 -0.1219 17 TYR A CE2 65 C CZ . TYR A 9 ? 0.8524 0.6086 0.6491 -0.1329 -0.0731 -0.1210 17 TYR A CZ 66 O OH . TYR A 9 ? 0.9271 0.6675 0.7175 -0.1266 -0.0708 -0.1225 17 TYR A OH 67 N N . HIS A 10 ? 0.7177 0.5242 0.5251 -0.1678 -0.0847 -0.1100 18 HIS A N 68 C CA . HIS A 10 ? 0.7252 0.5253 0.5261 -0.1734 -0.0862 -0.1081 18 HIS A CA 69 C C . HIS A 10 ? 0.6980 0.4816 0.4920 -0.1700 -0.0850 -0.1089 18 HIS A C 70 O O . HIS A 10 ? 0.6856 0.4671 0.4847 -0.1634 -0.0827 -0.1100 18 HIS A O 71 C CB . HIS A 10 ? 0.8162 0.6317 0.6287 -0.1772 -0.0865 -0.1050 18 HIS A CB 72 C CG . HIS A 10 ? 0.9816 0.7927 0.7878 -0.1838 -0.0882 -0.1028 18 HIS A CG 73 N ND1 . HIS A 10 ? 1.0959 0.9110 0.8980 -0.1910 -0.0906 -0.1013 18 HIS A ND1 74 C CD2 . HIS A 10 ? 0.9905 0.7933 0.7937 -0.1844 -0.0879 -0.1018 18 HIS A CD2 75 C CE1 . HIS A 10 ? 1.0899 0.8993 0.8868 -0.1958 -0.0916 -0.0996 18 HIS A CE1 76 N NE2 . HIS A 10 ? 1.0416 0.8433 0.8388 -0.1919 -0.0900 -0.0998 18 HIS A NE2 77 N N . ALA A 11 ? 0.7354 0.5074 0.5178 -0.1747 -0.0865 -0.1081 19 ALA A N 78 C CA . ALA A 11 ? 0.7968 0.5535 0.5722 -0.1726 -0.0856 -0.1083 19 ALA A CA 79 C C . ALA A 11 ? 0.8425 0.5944 0.6104 -0.1801 -0.0877 -0.1061 19 ALA A C 80 O O . ALA A 11 ? 1.0230 0.7763 0.7853 -0.1861 -0.0898 -0.1056 19 ALA A O 81 C CB . ALA A 11 ? 0.8369 0.5768 0.6010 -0.1680 -0.0846 -0.1110 19 ALA A CB 82 N N . ASN A 12 ? 0.6832 0.4296 0.4511 -0.1797 -0.0870 -0.1049 20 ASN A N 83 C CA . ASN A 12 ? 0.7439 0.4850 0.5046 -0.1865 -0.0888 -0.1028 20 ASN A CA 84 C C . ASN A 12 ? 0.8368 0.5615 0.5892 -0.1846 -0.0880 -0.1027 20 ASN A C 85 O O . ASN A 12 ? 0.8076 0.5232 0.5583 -0.1780 -0.0863 -0.1044 20 ASN A O 86 C CB . ASN A 12 ? 0.7332 0.4906 0.5047 -0.1910 -0.0894 -0.1000 20 ASN A CB 87 C CG . ASN A 12 ? 0.9525 0.7180 0.7365 -0.1860 -0.0874 -0.0994 20 ASN A CG 88 O OD1 . ASN A 12 ? 1.0127 0.7697 0.7962 -0.1801 -0.0858 -0.1006 20 ASN A OD1 89 N ND2 . ASN A 12 ? 1.0130 0.7951 0.8084 -0.1884 -0.0874 -0.0974 20 ASN A ND2 90 N N . ASN A 13 ? 1.1206 0.8416 0.8680 -0.1905 -0.0893 -0.1006 21 ASN A N 91 C CA . ASN A 13 ? 1.2433 0.9484 0.9819 -0.1897 -0.0890 -0.1003 21 ASN A CA 92 C C . ASN A 13 ? 1.2765 0.9862 1.0240 -0.1870 -0.0877 -0.0987 21 ASN A C 93 O O . ASN A 13 ? 1.3555 1.0540 1.0967 -0.1871 -0.0876 -0.0978 21 ASN A O 94 C CB . ASN A 13 ? 1.2831 0.9795 1.0097 -0.1975 -0.0911 -0.0990 21 ASN A CB 95 C CG . ASN A 13 ? 1.3366 1.0471 1.0693 -0.2046 -0.0925 -0.0965 21 ASN A CG 96 O OD1 . ASN A 13 ? 1.3092 1.0363 1.0539 -0.2042 -0.0923 -0.0961 21 ASN A OD1 97 N ND2 . ASN A 13 ? 1.3575 1.0611 1.0817 -0.2111 -0.0940 -0.0949 21 ASN A ND2 98 N N . SER A 14 ? 1.0954 0.8216 0.8573 -0.1846 -0.0868 -0.0984 22 SER A N 99 C CA . SER A 14 ? 0.9814 0.7137 0.7527 -0.1821 -0.0857 -0.0970 22 SER A CA 100 C C . SER A 14 ? 0.9116 0.6323 0.6811 -0.1750 -0.0841 -0.0982 22 SER A C 101 O O . SER A 14 ? 0.9512 0.6667 0.7194 -0.1696 -0.0830 -0.1005 22 SER A O 102 C CB . SER A 14 ? 0.8790 0.6310 0.6660 -0.1805 -0.0848 -0.0967 22 SER A CB 103 O OG . SER A 14 ? 0.8414 0.5990 0.6374 -0.1779 -0.0837 -0.0955 22 SER A OG 104 N N . THR A 15 ? 0.9515 0.6680 0.7206 -0.1751 -0.0839 -0.0966 23 THR A N 105 C CA . THR A 15 ? 1.0499 0.7549 0.8168 -0.1688 -0.0826 -0.0974 23 THR A CA 106 C C . THR A 15 ? 1.0287 0.7436 0.8084 -0.1648 -0.0814 -0.0967 23 THR A C 107 O O . THR A 15 ? 1.1156 0.8226 0.8947 -0.1604 -0.0805 -0.0968 23 THR A O 108 C CB . THR A 15 ? 1.1114 0.7994 0.8647 -0.1717 -0.0835 -0.0962 23 THR A CB 109 O OG1 . THR A 15 ? 1.2197 0.8973 0.9717 -0.1653 -0.0822 -0.0967 23 THR A OG1 110 C CG2 . THR A 15 ? 1.0305 0.7236 0.7845 -0.1782 -0.0847 -0.0935 23 THR A CG2 111 N N . GLU A 16 ? 0.7926 0.5252 0.5842 -0.1664 -0.0813 -0.0961 24 GLU A N 112 C CA . GLU A 16 ? 0.7679 0.5112 0.5721 -0.1632 -0.0802 -0.0954 24 GLU A CA 113 C C . GLU A 16 ? 0.7842 0.5272 0.5950 -0.1548 -0.0783 -0.0976 24 GLU A C 114 O O . GLU A 16 ? 0.9514 0.6967 0.7641 -0.1521 -0.0777 -0.0996 24 GLU A O 115 C CB . GLU A 16 ? 0.8254 0.5876 0.6405 -0.1667 -0.0803 -0.0942 24 GLU A CB 116 C CG . GLU A 16 ? 1.0951 0.8589 0.9046 -0.1750 -0.0820 -0.0920 24 GLU A CG 117 C CD . GLU A 16 ? 1.2441 1.0263 1.0651 -0.1780 -0.0818 -0.0902 24 GLU A CD 118 O OE1 . GLU A 16 ? 1.3359 1.1238 1.1638 -0.1771 -0.0810 -0.0889 24 GLU A OE1 119 O OE2 . GLU A 16 ? 1.2028 0.9935 1.0257 -0.1812 -0.0824 -0.0902 24 GLU A OE2 120 N N . LYS A 17 ? 0.6755 0.4155 0.4896 -0.1509 -0.0776 -0.0973 25 LYS A N 121 C CA . LYS A 17 ? 0.6922 0.4321 0.5134 -0.1430 -0.0758 -0.0992 25 LYS A CA 122 C C . LYS A 17 ? 0.6543 0.4104 0.4909 -0.1409 -0.0748 -0.0989 25 LYS A C 123 O O . LYS A 17 ? 0.6424 0.4052 0.4825 -0.1443 -0.0754 -0.0969 25 LYS A O 124 C CB . LYS A 17 ? 0.7619 0.4858 0.5758 -0.1390 -0.0754 -0.0992 25 LYS A CB 125 C CG . LYS A 17 ? 0.7908 0.4998 0.5948 -0.1355 -0.0748 -0.1009 25 LYS A CG 126 C CD . LYS A 17 ? 0.9247 0.6226 0.7142 -0.1413 -0.0764 -0.1002 25 LYS A CD 127 C CE . LYS A 17 ? 1.0805 0.7619 0.8595 -0.1373 -0.0756 -0.1018 25 LYS A CE 128 N NZ . LYS A 17 ? 1.1777 0.8470 0.9419 -0.1428 -0.0771 -0.1011 25 LYS A NZ 129 N N . VAL A 18 ? 0.5138 0.2758 0.3592 -0.1352 -0.0733 -0.1010 26 VAL A N 130 C CA . VAL A 18 ? 0.4949 0.2708 0.3549 -0.1322 -0.0722 -0.1011 26 VAL A CA 131 C C . VAL A 18 ? 0.5644 0.3362 0.4291 -0.1242 -0.0703 -0.1032 26 VAL A C 132 O O . VAL A 18 ? 0.4981 0.2589 0.3562 -0.1209 -0.0696 -0.1048 26 VAL A O 133 C CB . VAL A 18 ? 0.5474 0.3400 0.4167 -0.1342 -0.0720 -0.1013 26 VAL A CB 134 C CG1 . VAL A 18 ? 0.6603 0.4588 0.5268 -0.1419 -0.0736 -0.0989 26 VAL A CG1 135 C CG2 . VAL A 18 ? 0.5598 0.3502 0.4268 -0.1319 -0.0714 -0.1035 26 VAL A CG2 136 N N . ASP A 19 ? 0.5517 0.3324 0.4280 -0.1211 -0.0693 -0.1033 27 ASP A N 137 C CA . ASP A 19 ? 0.6299 0.4081 0.5123 -0.1136 -0.0674 -0.1052 27 ASP A CA 138 C C . ASP A 19 ? 0.6445 0.4377 0.5402 -0.1110 -0.0660 -0.1067 27 ASP A C 139 O O . ASP A 19 ? 0.8072 0.6143 0.7103 -0.1145 -0.0665 -0.1058 27 ASP A O 140 C CB . ASP A 19 ? 0.7836 0.5587 0.6684 -0.1114 -0.0673 -0.1041 27 ASP A CB 141 C CG . ASP A 19 ? 1.0091 0.7671 0.8806 -0.1121 -0.0684 -0.1029 27 ASP A CG 142 O OD1 . ASP A 19 ? 1.0735 0.8232 0.9339 -0.1155 -0.0694 -0.1025 27 ASP A OD1 143 O OD2 . ASP A 19 ? 1.0599 0.8126 0.9319 -0.1093 -0.0684 -0.1022 27 ASP A OD2 144 N N . THR A 20 ? 0.5146 0.3046 0.4133 -0.1049 -0.0640 -0.1089 28 THR A N 145 C CA . THR A 20 ? 0.5635 0.3665 0.4751 -0.1018 -0.0624 -0.1105 28 THR A CA 146 C C . THR A 20 ? 0.6147 0.4160 0.5338 -0.0950 -0.0600 -0.1117 28 THR A C 147 O O . THR A 20 ? 0.7896 0.5791 0.7034 -0.0924 -0.0598 -0.1112 28 THR A O 148 C CB . THR A 20 ? 0.5912 0.3937 0.5003 -0.1008 -0.0617 -0.1123 28 THR A CB 149 O OG1 . THR A 20 ? 0.6039 0.3937 0.5088 -0.0945 -0.0597 -0.1140 28 THR A OG1 150 C CG2 . THR A 20 ? 0.5654 0.3645 0.4633 -0.1071 -0.0639 -0.1112 28 THR A CG2 151 N N . ILE A 21 ? 0.5011 0.3138 0.4324 -0.0920 -0.0582 -0.1132 29 ILE A N 152 C CA . ILE A 21 ? 0.5495 0.3613 0.4883 -0.0858 -0.0553 -0.1143 29 ILE A CA 153 C C . ILE A 21 ? 0.6047 0.4026 0.5373 -0.0798 -0.0532 -0.1155 29 ILE A C 154 O O . ILE A 21 ? 0.6862 0.4788 0.6215 -0.0742 -0.0509 -0.1155 29 ILE A O 155 C CB . ILE A 21 ? 0.4922 0.3202 0.4454 -0.0847 -0.0533 -0.1156 29 ILE A CB 156 C CG1 . ILE A 21 ? 0.6460 0.4743 0.6053 -0.0808 -0.0499 -0.1154 29 ILE A CG1 157 C CG2 . ILE A 21 ? 0.5468 0.3760 0.5008 -0.0825 -0.0516 -0.1176 29 ILE A CG2 158 C CD1 . ILE A 21 ? 0.7728 0.6018 0.7327 -0.0831 -0.0517 -0.1137 29 ILE A CD1 159 N N . LEU A 22 ? 0.6014 0.3929 0.5250 -0.0810 -0.0540 -0.1161 30 LEU A N 160 C CA . LEU A 22 ? 0.6038 0.3827 0.5215 -0.0751 -0.0519 -0.1173 30 LEU A CA 161 C C . LEU A 22 ? 0.7039 0.4666 0.6074 -0.0759 -0.0534 -0.1162 30 LEU A C 162 O O . LEU A 22 ? 0.8269 0.5777 0.7269 -0.0702 -0.0519 -0.1161 30 LEU A O 163 C CB . LEU A 22 ? 0.4270 0.2104 0.3451 -0.0750 -0.0511 -0.1191 30 LEU A CB 164 C CG . LEU A 22 ? 0.5278 0.3117 0.4527 -0.0677 -0.0471 -0.1208 30 LEU A CG 165 C CD1 . LEU A 22 ? 0.4624 0.2557 0.3997 -0.0655 -0.0447 -0.1204 30 LEU A CD1 166 C CD2 . LEU A 22 ? 0.5335 0.3237 0.4586 -0.0691 -0.0471 -0.1225 30 LEU A CD2 167 N N . GLU A 23 ? 0.6797 0.4422 0.5749 -0.0828 -0.0563 -0.1153 31 GLU A N 168 C CA . GLU A 23 ? 0.5685 0.3158 0.4492 -0.0846 -0.0577 -0.1143 31 GLU A CA 169 C C . GLU A 23 ? 0.6001 0.3482 0.4774 -0.0908 -0.0604 -0.1120 31 GLU A C 170 O O . GLU A 23 ? 0.6983 0.4598 0.5831 -0.0948 -0.0614 -0.1113 31 GLU A O 171 C CB . GLU A 23 ? 0.6706 0.4148 0.5424 -0.0874 -0.0583 -0.1153 31 GLU A CB 172 C CG . GLU A 23 ? 0.9112 0.6374 0.7699 -0.0847 -0.0577 -0.1155 31 GLU A CG 173 C CD . GLU A 23 ? 0.9755 0.6996 0.8270 -0.0860 -0.0577 -0.1170 31 GLU A CD 174 O OE1 . GLU A 23 ? 0.8042 0.5409 0.6613 -0.0889 -0.0581 -0.1177 31 GLU A OE1 175 O OE2 . GLU A 23 ? 1.1111 0.8208 0.9512 -0.0842 -0.0572 -0.1173 31 GLU A OE2 176 N N . ARG A 24 ? 0.6240 0.3578 0.4899 -0.0914 -0.0614 -0.1108 32 ARG A N 177 C CA . ARG A 24 ? 0.6173 0.3501 0.4783 -0.0974 -0.0639 -0.1086 32 ARG A CA 178 C C . ARG A 24 ? 0.6787 0.4005 0.5248 -0.1023 -0.0655 -0.1078 32 ARG A C 179 O O . ARG A 24 ? 0.6933 0.4054 0.5319 -0.1000 -0.0647 -0.1090 32 ARG A O 180 C CB . ARG A 24 ? 0.5803 0.3068 0.4425 -0.0940 -0.0637 -0.1074 32 ARG A CB 181 C CG . ARG A 24 ? 0.8319 0.5711 0.7087 -0.0912 -0.0627 -0.1076 32 ARG A CG 182 C CD . ARG A 24 ? 1.0976 0.8290 0.9752 -0.0865 -0.0623 -0.1066 32 ARG A CD 183 N NE . ARG A 24 ? 1.2647 1.0082 1.1556 -0.0845 -0.0614 -0.1068 32 ARG A NE 184 C CZ . ARG A 24 ? 1.3239 1.0636 1.2187 -0.0794 -0.0607 -0.1063 32 ARG A CZ 185 N NH1 . ARG A 24 ? 1.3846 1.1092 1.2715 -0.0755 -0.0607 -0.1055 32 ARG A NH1 186 N NH2 . ARG A 24 ? 1.2067 0.9579 1.1132 -0.0781 -0.0598 -0.1064 32 ARG A NH2 187 N N . ASN A 25 ? 0.6727 0.3960 0.5146 -0.1089 -0.0677 -0.1059 33 ASN A N 188 C CA . ASN A 25 ? 0.7750 0.4887 0.6031 -0.1145 -0.0694 -0.1049 33 ASN A CA 189 C C . ASN A 25 ? 0.7655 0.4814 0.5900 -0.1169 -0.0695 -0.1063 33 ASN A C 190 O O . ASN A 25 ? 0.9084 0.6119 0.7207 -0.1179 -0.0699 -0.1066 33 ASN A O 191 C CB . ASN A 25 ? 0.9192 0.6140 0.7358 -0.1117 -0.0693 -0.1045 33 ASN A CB 192 C CG . ASN A 25 ? 1.0972 0.7848 0.9045 -0.1174 -0.0714 -0.1022 33 ASN A CG 193 O OD1 . ASN A 25 ? 1.1160 0.8128 0.9278 -0.1217 -0.0725 -0.1006 33 ASN A OD1 194 N ND2 . ASN A 25 ? 1.1189 0.7898 0.9128 -0.1175 -0.0717 -0.1019 33 ASN A ND2 195 N N . VAL A 26 ? 0.5397 0.2712 0.3744 -0.1178 -0.0692 -0.1070 34 VAL A N 196 C CA . VAL A 26 ? 0.5297 0.2649 0.3620 -0.1200 -0.0694 -0.1082 34 VAL A CA 197 C C . VAL A 26 ? 0.5362 0.2750 0.3628 -0.1286 -0.0718 -0.1065 34 VAL A C 198 O O . VAL A 26 ? 0.5906 0.3406 0.4238 -0.1325 -0.0726 -0.1048 34 VAL A O 199 C CB . VAL A 26 ? 0.5111 0.2616 0.3568 -0.1172 -0.0681 -0.1096 34 VAL A CB 200 C CG1 . VAL A 26 ? 0.5134 0.2668 0.3557 -0.1194 -0.0685 -0.1109 34 VAL A CG1 201 C CG2 . VAL A 26 ? 0.5319 0.2794 0.3841 -0.1088 -0.0656 -0.1113 34 VAL A CG2 202 N N . THR A 27 ? 0.5716 0.3009 0.3862 -0.1314 -0.0726 -0.1069 35 THR A N 203 C CA . THR A 27 ? 0.6810 0.4127 0.4894 -0.1396 -0.0748 -0.1054 35 THR A CA 204 C C . THR A 27 ? 0.6868 0.4342 0.5027 -0.1422 -0.0752 -0.1058 35 THR A C 205 O O . THR A 27 ? 0.7030 0.4522 0.5207 -0.1389 -0.0743 -0.1078 35 THR A O 206 C CB . THR A 27 ? 0.7427 0.4579 0.5350 -0.1418 -0.0757 -0.1059 35 THR A CB 207 O OG1 . THR A 27 ? 0.8023 0.5019 0.5877 -0.1378 -0.0749 -0.1059 35 THR A OG1 208 C CG2 . THR A 27 ? 0.6187 0.3346 0.4043 -0.1504 -0.0780 -0.1039 35 THR A CG2 209 N N . VAL A 28 ? 0.5428 0.3015 0.3630 -0.1482 -0.0765 -0.1037 36 VAL A N 210 C CA . VAL A 28 ? 0.6866 0.4610 0.5144 -0.1510 -0.0770 -0.1034 36 VAL A CA 211 C C . VAL A 28 ? 0.6721 0.4476 0.4928 -0.1593 -0.0792 -0.1017 36 VAL A C 212 O O . VAL A 28 ? 0.7408 0.5070 0.5528 -0.1630 -0.0802 -0.1003 36 VAL A O 213 C CB . VAL A 28 ? 0.5876 0.3784 0.4308 -0.1497 -0.0761 -0.1024 36 VAL A CB 214 C CG1 . VAL A 28 ? 0.5012 0.2923 0.3524 -0.1418 -0.0740 -0.1043 36 VAL A CG1 215 C CG2 . VAL A 28 ? 0.5651 0.3566 0.4085 -0.1535 -0.0768 -0.0998 36 VAL A CG2 216 N N . THR A 29 ? 0.6701 0.4567 0.4944 -0.1621 -0.0799 -0.1017 37 THR A N 217 C CA . THR A 29 ? 0.7916 0.5800 0.6098 -0.1699 -0.0819 -0.1000 37 THR A CA 218 C C . THR A 29 ? 0.8537 0.6517 0.6780 -0.1745 -0.0824 -0.0970 37 THR A C 219 O O . THR A 29 ? 1.0215 0.8160 0.8386 -0.1807 -0.0839 -0.0953 37 THR A O 220 C CB . THR A 29 ? 0.7661 0.5642 0.5865 -0.1718 -0.0827 -0.1006 37 THR A CB 221 O OG1 . THR A 29 ? 0.6849 0.5007 0.5166 -0.1749 -0.0828 -0.0985 37 THR A OG1 222 C CG2 . THR A 29 ? 0.7642 0.5618 0.5877 -0.1650 -0.0812 -0.1034 37 THR A CG2 223 N N . HIS A 30 ? 0.6779 0.4880 0.5152 -0.1713 -0.0810 -0.0965 38 HIS A N 224 C CA . HIS A 30 ? 0.6376 0.4571 0.4812 -0.1749 -0.0810 -0.0937 38 HIS A CA 225 C C . HIS A 30 ? 0.6269 0.4531 0.4821 -0.1695 -0.0792 -0.0937 38 HIS A C 226 O O . HIS A 30 ? 0.6859 0.5157 0.5481 -0.1637 -0.0779 -0.0956 38 HIS A O 227 C CB . HIS A 30 ? 0.5816 0.4158 0.4306 -0.1800 -0.0817 -0.0920 38 HIS A CB 228 C CG . HIS A 30 ? 0.7666 0.6080 0.6188 -0.1850 -0.0819 -0.0889 38 HIS A CG 229 N ND1 . HIS A 30 ? 0.9402 0.7714 0.7841 -0.1883 -0.0826 -0.0876 38 HIS A ND1 230 C CD2 . HIS A 30 ? 0.8633 0.7208 0.7261 -0.1870 -0.0813 -0.0868 38 HIS A CD2 231 C CE1 . HIS A 30 ? 1.0752 0.9159 0.9242 -0.1924 -0.0825 -0.0849 38 HIS A CE1 232 N NE2 . HIS A 30 ? 1.0426 0.8991 0.9030 -0.1916 -0.0816 -0.0844 38 HIS A NE2 233 N N . ALA A 31 ? 0.5302 0.3579 0.3872 -0.1716 -0.0791 -0.0916 39 ALA A N 234 C CA . ALA A 31 ? 0.4868 0.3197 0.3536 -0.1670 -0.0775 -0.0915 39 ALA A CA 235 C C . ALA A 31 ? 0.6352 0.4767 0.5065 -0.1712 -0.0775 -0.0885 39 ALA A C 236 O O . ALA A 31 ? 0.7450 0.5853 0.6100 -0.1776 -0.0786 -0.0866 39 ALA A O 237 C CB . ALA A 31 ? 0.5036 0.3217 0.3644 -0.1627 -0.0772 -0.0928 39 ALA A CB 238 N N . LYS A 32 ? 0.4927 0.3428 0.3749 -0.1677 -0.0761 -0.0882 40 LYS A N 239 C CA . LYS A 32 ? 0.4881 0.3458 0.3745 -0.1710 -0.0757 -0.0855 40 LYS A CA 240 C C . LYS A 32 ? 0.6378 0.4921 0.5272 -0.1671 -0.0749 -0.0856 40 LYS A C 241 O O . LYS A 32 ? 0.6424 0.4995 0.5395 -0.1610 -0.0738 -0.0874 40 LYS A O 242 C CB . LYS A 32 ? 0.5722 0.4478 0.4703 -0.1720 -0.0747 -0.0842 40 LYS A CB 243 C CG . LYS A 32 ? 0.7266 0.6103 0.6297 -0.1749 -0.0740 -0.0814 40 LYS A CG 244 C CD . LYS A 32 ? 0.7313 0.6300 0.6413 -0.1785 -0.0734 -0.0794 40 LYS A CD 245 C CE . LYS A 32 ? 0.7463 0.6513 0.6593 -0.1820 -0.0726 -0.0765 40 LYS A CE 246 N NZ . LYS A 32 ? 0.7312 0.6246 0.6326 -0.1868 -0.0738 -0.0754 40 LYS A NZ 247 N N . ASP A 33 ? 0.8439 0.6921 0.7270 -0.1707 -0.0754 -0.0838 41 ASP A N 248 C CA . ASP A 33 ? 0.8455 0.6900 0.7303 -0.1677 -0.0749 -0.0836 41 ASP A CA 249 C C . ASP A 33 ? 0.7564 0.6153 0.6523 -0.1680 -0.0737 -0.0820 41 ASP A C 250 O O . ASP A 33 ? 0.8738 0.7389 0.7694 -0.1734 -0.0737 -0.0796 41 ASP A O 251 C CB . ASP A 33 ? 0.9762 0.8066 0.8482 -0.1714 -0.0762 -0.0824 41 ASP A CB 252 C CG . ASP A 33 ? 1.2089 1.0309 1.0798 -0.1672 -0.0760 -0.0829 41 ASP A CG 253 O OD1 . ASP A 33 ? 1.3452 1.1549 1.2100 -0.1638 -0.0764 -0.0846 41 ASP A OD1 254 O OD2 . ASP A 33 ? 1.2248 1.0523 1.1009 -0.1672 -0.0754 -0.0816 41 ASP A OD2 255 N N . ILE A 34 ? 0.4388 0.3028 0.3442 -0.1622 -0.0725 -0.0832 42 ILE A N 256 C CA . ILE A 34 ? 0.4251 0.3024 0.3413 -0.1618 -0.0712 -0.0818 42 ILE A CA 257 C C . ILE A 34 ? 0.6182 0.4907 0.5327 -0.1615 -0.0712 -0.0809 42 ILE A C 258 O O . ILE A 34 ? 0.5553 0.4369 0.4786 -0.1599 -0.0700 -0.0802 42 ILE A O 259 C CB . ILE A 34 ? 0.4083 0.2960 0.3372 -0.1560 -0.0699 -0.0835 42 ILE A CB 260 C CG1 . ILE A 34 ? 0.4839 0.3630 0.4130 -0.1497 -0.0699 -0.0862 42 ILE A CG1 261 C CG2 . ILE A 34 ? 0.4053 0.2995 0.3365 -0.1568 -0.0698 -0.0839 42 ILE A CG2 262 C CD1 . ILE A 34 ? 0.3923 0.2802 0.3333 -0.1439 -0.0688 -0.0881 42 ILE A CD1 263 N N . LEU A 35 ? 0.8000 0.6579 0.7029 -0.1629 -0.0724 -0.0808 43 LEU A N 264 C CA . LEU A 35 ? 0.6828 0.5346 0.5825 -0.1629 -0.0727 -0.0799 43 LEU A CA 265 C C . LEU A 35 ? 0.7060 0.5532 0.5962 -0.1700 -0.0735 -0.0771 43 LEU A C 266 O O . LEU A 35 ? 0.8248 0.6626 0.7046 -0.1736 -0.0747 -0.0768 43 LEU A O 267 C CB . LEU A 35 ? 0.5398 0.3776 0.4337 -0.1585 -0.0735 -0.0817 43 LEU A CB 268 C CG . LEU A 35 ? 0.4573 0.2882 0.3481 -0.1575 -0.0739 -0.0810 43 LEU A CG 269 C CD1 . LEU A 35 ? 0.6902 0.5326 0.5935 -0.1538 -0.0727 -0.0814 43 LEU A CD1 270 C CD2 . LEU A 35 ? 0.4784 0.2938 0.3614 -0.1540 -0.0749 -0.0824 43 LEU A CD2 271 N N . GLU A 36 ? 0.6839 0.5378 0.5776 -0.1721 -0.0728 -0.0752 44 GLU A N 272 C CA . GLU A 36 ? 0.6856 0.5356 0.5708 -0.1789 -0.0733 -0.0724 44 GLU A CA 273 C C . GLU A 36 ? 0.7606 0.5956 0.6355 -0.1789 -0.0746 -0.0721 44 GLU A C 274 O O . GLU A 36 ? 0.8070 0.6416 0.6849 -0.1758 -0.0744 -0.0723 44 GLU A O 275 C CB . GLU A 36 ? 0.6340 0.4970 0.5266 -0.1813 -0.0719 -0.0704 44 GLU A CB 276 C CG . GLU A 36 ? 0.8569 0.7266 0.7482 -0.1878 -0.0715 -0.0683 44 GLU A CG 277 C CD . GLU A 36 ? 1.1451 1.0035 1.0230 -0.1942 -0.0729 -0.0664 44 GLU A CD 278 O OE1 . GLU A 36 ? 1.2569 1.1037 1.1272 -0.1940 -0.0738 -0.0663 44 GLU A OE1 279 O OE2 . GLU A 36 ? 1.1980 1.0593 1.0731 -0.1996 -0.0731 -0.0651 44 GLU A OE2 280 N N . LYS A 37 ? 0.7487 0.5713 0.6115 -0.1826 -0.0760 -0.0716 45 LYS A N 281 C CA . LYS A 37 ? 0.7005 0.5073 0.5526 -0.1823 -0.0774 -0.0713 45 LYS A CA 282 C C . LYS A 37 ? 0.8077 0.6087 0.6500 -0.1892 -0.0781 -0.0684 45 LYS A C 283 O O . LYS A 37 ? 0.8788 0.6665 0.7113 -0.1898 -0.0792 -0.0677 45 LYS A O 284 C CB . LYS A 37 ? 0.7258 0.5204 0.5706 -0.1801 -0.0784 -0.0731 45 LYS A CB 285 C CG . LYS A 37 ? 0.7606 0.5570 0.6131 -0.1724 -0.0778 -0.0759 45 LYS A CG 286 C CD . LYS A 37 ? 0.8275 0.6141 0.6739 -0.1705 -0.0784 -0.0778 45 LYS A CD 287 C CE . LYS A 37 ? 0.9513 0.7469 0.8016 -0.1724 -0.0780 -0.0785 45 LYS A CE 288 N NZ . LYS A 37 ? 1.0469 0.8370 0.8960 -0.1681 -0.0780 -0.0811 45 LYS A NZ 289 N N . THR A 38 ? 0.8595 0.6707 0.7046 -0.1943 -0.0773 -0.0667 46 THR A N 290 C CA . THR A 38 ? 0.8200 0.6265 0.6559 -0.2016 -0.0779 -0.0640 46 THR A CA 291 C C . THR A 38 ? 0.9438 0.7502 0.7787 -0.2031 -0.0775 -0.0621 46 THR A C 292 O O . THR A 38 ? 0.9746 0.7929 0.8192 -0.2016 -0.0760 -0.0618 46 THR A O 293 C CB . THR A 38 ? 0.8625 0.6797 0.7014 -0.2069 -0.0772 -0.0629 46 THR A CB 294 O OG1 . THR A 38 ? 1.0300 0.8427 0.8647 -0.2076 -0.0782 -0.0641 46 THR A OG1 295 C CG2 . THR A 38 ? 0.8474 0.6628 0.6794 -0.2143 -0.0773 -0.0599 46 THR A CG2 296 N N . HIS A 39 ? 1.2599 1.0523 1.0826 -0.2061 -0.0788 -0.0608 47 HIS A N 297 C CA . HIS A 39 ? 1.2498 1.0405 1.0691 -0.2089 -0.0787 -0.0585 47 HIS A CA 298 C C . HIS A 39 ? 1.2096 0.9938 1.0179 -0.2169 -0.0793 -0.0561 47 HIS A C 299 O O . HIS A 39 ? 1.1569 0.9261 0.9533 -0.2187 -0.0808 -0.0555 47 HIS A O 300 C CB . HIS A 39 ? 1.2024 0.9817 1.0173 -0.2045 -0.0798 -0.0591 47 HIS A CB 301 C CG . HIS A 39 ? 1.2684 1.0333 1.0752 -0.2018 -0.0813 -0.0605 47 HIS A CG 302 N ND1 . HIS A 39 ? 1.3354 1.0911 1.1323 -0.2060 -0.0823 -0.0601 47 HIS A ND1 303 C CD2 . HIS A 39 ? 1.2679 1.0256 1.0750 -0.1954 -0.0820 -0.0623 47 HIS A CD2 304 C CE1 . HIS A 39 ? 1.3153 1.0587 1.1065 -0.2022 -0.0834 -0.0616 47 HIS A CE1 305 N NE2 . HIS A 39 ? 1.2880 1.0324 1.0853 -0.1957 -0.0832 -0.0629 47 HIS A NE2 306 N N . ASN A 40 ? 1.1201 0.9157 0.9326 -0.2218 -0.0781 -0.0545 48 ASN A N 307 C CA . ASN A 40 ? 1.0368 0.8282 0.8403 -0.2297 -0.0786 -0.0523 48 ASN A CA 308 C C . ASN A 40 ? 0.9997 0.7832 0.7943 -0.2339 -0.0789 -0.0499 48 ASN A C 309 O O . ASN A 40 ? 1.1372 0.9145 0.9226 -0.2404 -0.0795 -0.0481 48 ASN A O 310 C CB . ASN A 40 ? 1.0078 0.8142 0.8189 -0.2334 -0.0772 -0.0515 48 ASN A CB 311 C CG . ASN A 40 ? 1.0381 0.8587 0.8596 -0.2325 -0.0752 -0.0506 48 ASN A CG 312 O OD1 . ASN A 40 ? 1.1208 0.9400 0.9436 -0.2294 -0.0748 -0.0506 48 ASN A OD1 313 N ND2 . ASN A 40 ? 0.9922 0.8263 0.8209 -0.2354 -0.0738 -0.0498 48 ASN A ND2 314 N N . GLY A 41 ? 0.8614 0.6449 0.6584 -0.2303 -0.0785 -0.0498 49 GLY A N 315 C CA . GLY A 41 ? 0.8818 0.6574 0.6702 -0.2338 -0.0789 -0.0476 49 GLY A CA 316 C C . GLY A 41 ? 0.9471 0.7336 0.7390 -0.2389 -0.0772 -0.0454 49 GLY A C 317 O O . GLY A 41 ? 1.0286 0.8109 0.8150 -0.2415 -0.0771 -0.0435 49 GLY A O 318 N N . LYS A 42 ? 1.0015 0.8018 0.8021 -0.2404 -0.0757 -0.0455 50 LYS A N 319 C CA . LYS A 42 ? 1.0206 0.8323 0.8252 -0.2451 -0.0738 -0.0434 50 LYS A CA 320 C C . LYS A 42 ? 1.0095 0.8307 0.8231 -0.2413 -0.0722 -0.0436 50 LYS A C 321 O O . LYS A 42 ? 0.9328 0.7575 0.7542 -0.2345 -0.0721 -0.0457 50 LYS A O 322 C CB . LYS A 42 ? 1.0686 0.8922 0.8800 -0.2477 -0.0729 -0.0434 50 LYS A CB 323 C CG . LYS A 42 ? 1.1723 0.9896 0.9747 -0.2545 -0.0740 -0.0421 50 LYS A CG 324 C CD . LYS A 42 ? 1.2750 1.1066 1.0846 -0.2584 -0.0727 -0.0412 50 LYS A CD 325 C CE . LYS A 42 ? 1.2480 1.0739 1.0490 -0.2654 -0.0740 -0.0400 50 LYS A CE 326 N NZ . LYS A 42 ? 1.2069 1.0269 1.0057 -0.2634 -0.0758 -0.0421 50 LYS A NZ 327 N N . LEU A 43 ? 1.0045 0.8297 0.8169 -0.2457 -0.0708 -0.0413 51 LEU A N 328 C CA . LEU A 43 ? 0.9186 0.7548 0.7400 -0.2431 -0.0688 -0.0413 51 LEU A CA 329 C C . LEU A 43 ? 0.8390 0.6892 0.6665 -0.2476 -0.0665 -0.0397 51 LEU A C 330 O O . LEU A 43 ? 0.7907 0.6395 0.6120 -0.2541 -0.0660 -0.0373 51 LEU A O 331 C CB . LEU A 43 ? 0.8644 0.6920 0.6784 -0.2437 -0.0693 -0.0402 51 LEU A CB 332 C CG . LEU A 43 ? 0.8091 0.6264 0.6207 -0.2374 -0.0712 -0.0420 51 LEU A CG 333 C CD1 . LEU A 43 ? 0.9280 0.7281 0.7264 -0.2394 -0.0737 -0.0416 51 LEU A CD1 334 C CD2 . LEU A 43 ? 0.6749 0.4920 0.4866 -0.2357 -0.0708 -0.0415 51 LEU A CD2 335 N N . CYS A 44 ? 0.7942 0.6579 0.6341 -0.2440 -0.0651 -0.0409 52 CYS A N 336 C CA . CYS A 44 ? 0.7264 0.6039 0.5730 -0.2477 -0.0629 -0.0395 52 CYS A CA 337 C C . CYS A 44 ? 0.7510 0.6391 0.6049 -0.2466 -0.0603 -0.0389 52 CYS A C 338 O O . CYS A 44 ? 0.7381 0.6219 0.5905 -0.2439 -0.0604 -0.0393 52 CYS A O 339 C CB . CYS A 44 ? 0.5173 0.4036 0.3729 -0.2448 -0.0628 -0.0411 52 CYS A CB 340 S SG . CYS A 44 ? 2.7139 2.5886 2.5613 -0.2461 -0.0657 -0.0421 52 CYS A SG 341 N N . LYS A 45 ? 0.5035 0.4053 0.3651 -0.2489 -0.0581 -0.0378 53 LYS A N 342 C CA . LYS A 45 ? 0.6667 0.5802 0.5373 -0.2467 -0.0554 -0.0376 53 LYS A CA 343 C C . LYS A 45 ? 0.5638 0.4867 0.4468 -0.2395 -0.0547 -0.0399 53 LYS A C 344 O O . LYS A 45 ? 0.5091 0.4313 0.3941 -0.2373 -0.0560 -0.0412 53 LYS A O 345 C CB . LYS A 45 ? 0.7966 0.7200 0.6690 -0.2527 -0.0530 -0.0351 53 LYS A CB 346 C CG . LYS A 45 ? 0.8772 0.8049 0.7499 -0.2572 -0.0533 -0.0339 53 LYS A CG 347 C CD . LYS A 45 ? 0.8588 0.7837 0.7232 -0.2655 -0.0529 -0.0312 53 LYS A CD 348 C CE . LYS A 45 ? 0.8998 0.8346 0.7683 -0.2700 -0.0521 -0.0297 53 LYS A CE 349 N NZ . LYS A 45 ? 0.9049 0.8367 0.7725 -0.2699 -0.0544 -0.0307 53 LYS A NZ 350 N N . LEU A 46 A 0.6555 0.5866 0.5463 -0.2360 -0.0526 -0.0403 53 LEU A N 351 C CA . LEU A 46 A 0.6644 0.6031 0.5665 -0.2287 -0.0520 -0.0426 53 LEU A CA 352 C C . LEU A 46 A 0.7378 0.6928 0.6511 -0.2284 -0.0490 -0.0418 53 LEU A C 353 O O . LEU A 46 A 0.8599 0.8212 0.7759 -0.2294 -0.0466 -0.0408 53 LEU A O 354 C CB . LEU A 46 A 0.7155 0.6497 0.6181 -0.2238 -0.0523 -0.0441 53 LEU A CB 355 C CG . LEU A 46 A 0.7748 0.7086 0.6841 -0.2160 -0.0534 -0.0470 53 LEU A CG 356 C CD1 . LEU A 46 A 0.8117 0.7602 0.7346 -0.2119 -0.0510 -0.0478 53 LEU A CD1 357 C CD2 . LEU A 46 A 0.8935 0.8189 0.7984 -0.2154 -0.0560 -0.0481 53 LEU A CD2 358 N N . ASN A 47 ? 0.7029 0.6643 0.6223 -0.2271 -0.0491 -0.0423 54 ASN A N 359 C CA . ASN A 47 ? 0.7912 0.7680 0.7213 -0.2266 -0.0464 -0.0415 54 ASN A CA 360 C C . ASN A 47 ? 0.8685 0.8514 0.7971 -0.2330 -0.0444 -0.0387 54 ASN A C 361 O O . ASN A 47 ? 0.9418 0.9363 0.8783 -0.2324 -0.0415 -0.0379 54 ASN A O 362 C CB . ASN A 47 ? 0.7822 0.7665 0.7226 -0.2199 -0.0445 -0.0430 54 ASN A CB 363 C CG . ASN A 47 ? 0.8230 0.8063 0.7687 -0.2134 -0.0460 -0.0456 54 ASN A CG 364 O OD1 . ASN A 47 ? 0.7465 0.7230 0.6914 -0.2090 -0.0472 -0.0475 54 ASN A OD1 365 N ND2 . ASN A 47 ? 0.9128 0.9029 0.8640 -0.2127 -0.0459 -0.0456 54 ASN A ND2 366 N N . GLY A 48 ? 0.9310 0.9057 0.8492 -0.2393 -0.0458 -0.0373 55 GLY A N 367 C CA . GLY A 48 ? 1.0353 1.0152 0.9515 -0.2460 -0.0442 -0.0346 55 GLY A CA 368 C C . GLY A 48 ? 1.0300 1.0037 0.9381 -0.2498 -0.0436 -0.0333 55 GLY A C 369 O O . GLY A 48 ? 1.1093 1.0834 1.0126 -0.2563 -0.0430 -0.0310 55 GLY A O 370 N N . ILE A 49 ? 0.7580 1.0244 0.7624 -0.2098 -0.0436 0.0627 56 ILE A N 371 C CA . ILE A 49 ? 0.6902 0.9481 0.7024 -0.2066 -0.0403 0.0688 56 ILE A CA 372 C C . ILE A 49 ? 0.6411 0.8815 0.6646 -0.2054 -0.0353 0.0644 56 ILE A C 373 O O . ILE A 49 ? 0.6292 0.8622 0.6451 -0.2055 -0.0356 0.0616 56 ILE A O 374 C CB . ILE A 49 ? 0.5509 0.8030 0.5426 -0.2054 -0.0450 0.0812 56 ILE A CB 375 C CG1 . ILE A 49 ? 0.6431 0.8986 0.6095 -0.2106 -0.0531 0.0848 56 ILE A CG1 376 C CG2 . ILE A 49 ? 0.4986 0.7654 0.4976 -0.2030 -0.0449 0.0883 56 ILE A CG2 377 C CD1 . ILE A 49 ? 0.7055 0.9585 0.6501 -0.2131 -0.0617 0.0985 56 ILE A CD1 378 N N . PRO A 50 ? 0.6492 0.8860 0.6900 -0.2058 -0.0313 0.0639 57 PRO A N 379 C CA . PRO A 50 ? 0.6708 0.8919 0.7222 -0.2071 -0.0284 0.0600 57 PRO A CA 380 C C . PRO A 50 ? 0.6133 0.8198 0.6561 -0.2024 -0.0274 0.0657 57 PRO A C 381 O O . PRO A 50 ? 0.7150 0.9204 0.7456 -0.1983 -0.0286 0.0741 57 PRO A O 382 C CB . PRO A 50 ? 0.6457 0.8667 0.7118 -0.2117 -0.0257 0.0612 57 PRO A CB 383 C CG . PRO A 50 ? 0.6799 0.9161 0.7413 -0.2090 -0.0256 0.0689 57 PRO A CG 384 C CD . PRO A 50 ? 0.6560 0.9067 0.7053 -0.2071 -0.0301 0.0678 57 PRO A CD 385 N N . PRO A 51 ? 0.3794 0.5767 0.4279 -0.2039 -0.0265 0.0611 58 PRO A N 386 C CA . PRO A 51 ? 0.3860 0.5724 0.4285 -0.2000 -0.0255 0.0657 58 PRO A CA 387 C C . PRO A 51 ? 0.4694 0.6415 0.5193 -0.1996 -0.0226 0.0714 58 PRO A C 388 O O . PRO A 51 ? 0.5607 0.7291 0.6218 -0.2055 -0.0216 0.0696 58 PRO A O 389 C CB . PRO A 51 ? 0.3936 0.5841 0.4405 -0.2038 -0.0269 0.0568 58 PRO A CB 390 C CG . PRO A 51 ? 0.4421 0.6345 0.5026 -0.2107 -0.0286 0.0489 58 PRO A CG 391 C CD . PRO A 51 ? 0.4375 0.6379 0.4970 -0.2100 -0.0281 0.0505 58 PRO A CD 392 N N . LEU A 52 ? 0.5055 0.6688 0.5474 -0.1937 -0.0217 0.0784 59 LEU A N 393 C CA . LEU A 52 ? 0.5529 0.7014 0.5996 -0.1928 -0.0187 0.0839 59 LEU A CA 394 C C . LEU A 52 ? 0.7036 0.8415 0.7562 -0.1982 -0.0195 0.0797 59 LEU A C 395 O O . LEU A 52 ? 0.8764 1.0181 0.9248 -0.1971 -0.0213 0.0774 59 LEU A O 396 C CB . LEU A 52 ? 0.5366 0.6797 0.5721 -0.1842 -0.0187 0.0920 59 LEU A CB 397 C CG . LEU A 52 ? 0.6406 0.7688 0.6790 -0.1814 -0.0152 0.0983 59 LEU A CG 398 C CD1 . LEU A 52 ? 0.7937 0.9282 0.8357 -0.1818 -0.0128 0.1033 59 LEU A CD1 399 C CD2 . LEU A 52 ? 0.5737 0.6944 0.6017 -0.1734 -0.0163 0.1031 59 LEU A CD2 400 N N . GLU A 53 ? 0.6345 0.7601 0.6948 -0.2064 -0.0195 0.0791 60 GLU A N 401 C CA . GLU A 53 ? 0.7297 0.8404 0.7919 -0.2151 -0.0240 0.0754 60 GLU A CA 402 C C . GLU A 53 ? 0.7050 0.7909 0.7623 -0.2154 -0.0231 0.0836 60 GLU A C 403 O O . GLU A 53 ? 0.7634 0.8335 0.8202 -0.2205 -0.0218 0.0881 60 GLU A O 404 C CB . GLU A 53 ? 0.7769 0.8825 0.8448 -0.2275 -0.0291 0.0679 60 GLU A CB 405 C CG . GLU A 53 ? 0.7641 0.8734 0.8363 -0.2303 -0.0256 0.0708 60 GLU A CG 406 C CD . GLU A 53 ? 0.8212 0.9303 0.8985 -0.2420 -0.0313 0.0621 60 GLU A CD 407 O OE1 . GLU A 53 ? 0.8131 0.9331 0.8953 -0.2451 -0.0289 0.0630 60 GLU A OE1 408 O OE2 . GLU A 53 ? 0.8139 0.9131 0.8895 -0.2487 -0.0395 0.0535 60 GLU A OE2 409 N N . LEU A 54 ? 0.5736 0.6580 0.6263 -0.2109 -0.0241 0.0856 61 LEU A N 410 C CA . LEU A 54 ? 0.5661 0.6263 0.6121 -0.2092 -0.0235 0.0939 61 LEU A CA 411 C C . LEU A 54 ? 0.6496 0.6787 0.6898 -0.2222 -0.0331 0.0922 61 LEU A C 412 O O . LEU A 54 ? 0.7194 0.7163 0.7497 -0.2232 -0.0339 0.0995 61 LEU A O 413 C CB . LEU A 54 ? 0.5190 0.5904 0.5610 -0.1990 -0.0216 0.0972 61 LEU A CB 414 C CG . LEU A 54 ? 0.5628 0.6498 0.6018 -0.1870 -0.0167 0.0997 61 LEU A CG 415 C CD1 . LEU A 54 ? 0.5895 0.6846 0.6210 -0.1800 -0.0175 0.1018 61 LEU A CD1 416 C CD2 . LEU A 54 ? 0.5151 0.5909 0.5532 -0.1821 -0.0122 0.1063 61 LEU A CD2 417 N N . GLY A 55 ? 0.7138 0.7483 0.7557 -0.2293 -0.0424 0.0802 62 GLY A N 418 C CA . GLY A 55 ? 0.8227 0.8180 0.8481 -0.2201 -0.0539 0.0677 62 GLY A CA 419 C C . GLY A 55 ? 0.8369 0.8175 0.8495 -0.1992 -0.0569 0.0641 62 GLY A C 420 O O . GLY A 55 ? 0.9047 0.9186 0.9220 -0.1857 -0.0552 0.0567 62 GLY A O 421 N N . ASP A 56 ? 0.8228 0.7547 0.8176 -0.1977 -0.0618 0.0693 63 ASP A N 422 C CA . ASP A 56 ? 0.9814 0.8949 0.9615 -0.1762 -0.0659 0.0654 63 ASP A CA 423 C C . ASP A 56 ? 0.9632 0.8951 0.9519 -0.1769 -0.0542 0.0817 63 ASP A C 424 O O . ASP A 56 ? 0.8823 0.8182 0.8655 -0.1592 -0.0550 0.0782 63 ASP A O 425 C CB . ASP A 56 ? 1.1430 0.9897 1.0948 -0.1737 -0.0779 0.0646 63 ASP A CB 426 C CG . ASP A 56 ? 1.3076 1.1292 1.2406 -0.1589 -0.0946 0.0424 63 ASP A CG 427 O OD1 . ASP A 56 ? 1.3405 1.2028 1.2835 -0.1440 -0.0961 0.0260 63 ASP A OD1 428 O OD2 . ASP A 56 ? 1.4181 1.1784 1.3236 -0.1621 -0.1074 0.0413 63 ASP A OD2 429 N N . CYS A 57 ? 0.9948 0.9391 0.9957 -0.1962 -0.0443 0.0984 64 CYS A N 430 C CA . CYS A 57 ? 0.8820 0.8393 0.8879 -0.1968 -0.0345 0.1145 64 CYS A CA 431 C C . CYS A 57 ? 0.7326 0.7341 0.7485 -0.1891 -0.0306 0.1112 64 CYS A C 432 O O . CYS A 57 ? 0.6819 0.7103 0.7038 -0.1873 -0.0333 0.0983 64 CYS A O 433 C CB . CYS A 57 ? 0.7942 0.7604 0.8071 -0.1999 -0.0248 0.1204 64 CYS A CB 434 S SG . CYS A 57 ? 3.5452 3.5187 3.5574 -0.1830 -0.0142 0.1278 64 CYS A SG 435 N N . SER A 58 ? 0.6446 0.6524 0.6595 -0.1853 -0.0248 0.1228 65 SER A N 436 C CA . SER A 58 ? 0.6061 0.6495 0.6245 -0.1791 -0.0222 0.1206 65 SER A CA 437 C C . SER A 58 ? 0.6598 0.7062 0.6760 -0.1658 -0.0160 0.1219 65 SER A C 438 O O . SER A 58 ? 0.8443 0.8724 0.8587 -0.1606 -0.0121 0.1256 65 SER A O 439 C CB . SER A 58 ? 0.6082 0.6528 0.6195 -0.1671 -0.0253 0.1178 65 SER A CB 440 O OG . SER A 58 ? 0.6667 0.6840 0.6698 -0.1622 -0.0229 0.1303 65 SER A OG 441 N N . ILE A 59 ? 0.5638 0.6329 0.5780 -0.1623 -0.0167 0.1185 66 ILE A N 442 C CA . ILE A 59 ? 0.5847 0.6534 0.5934 -0.1528 -0.0153 0.1196 66 ILE A CA 443 C C . ILE A 59 ? 0.6538 0.7048 0.6576 -0.1427 -0.0128 0.1253 66 ILE A C 444 O O . ILE A 59 ? 0.6797 0.7250 0.6825 -0.1368 -0.0101 0.1273 66 ILE A O 445 C CB . ILE A 59 ? 0.4645 0.5517 0.4652 -0.1531 -0.0201 0.1167 66 ILE A CB 446 C CG1 . ILE A 59 ? 0.5001 0.6065 0.5039 -0.1623 -0.0219 0.1102 66 ILE A CG1 447 C CG2 . ILE A 59 ? 0.4006 0.4828 0.3934 -0.1460 -0.0219 0.1190 66 ILE A CG2 448 C CD1 . ILE A 59 ? 0.6385 0.7655 0.6445 -0.1703 -0.0235 0.1062 66 ILE A CD1 449 N N . ALA A 60 ? 0.5662 0.6113 0.5668 -0.1415 -0.0138 0.1282 67 ALA A N 450 C CA . ALA A 60 ? 0.5851 0.6119 0.5801 -0.1312 -0.0113 0.1328 67 ALA A CA 451 C C . ALA A 60 ? 0.5516 0.5576 0.5482 -0.1302 -0.0062 0.1358 67 ALA A C 452 O O . ALA A 60 ? 0.6465 0.6464 0.6406 -0.1229 -0.0020 0.1373 67 ALA A O 453 C CB . ALA A 60 ? 0.6574 0.6833 0.6479 -0.1313 -0.0143 0.1363 67 ALA A CB 454 N N . GLY A 61 ? 0.5464 0.5416 0.5452 -0.1394 -0.0077 0.1369 68 GLY A N 455 C CA . GLY A 61 ? 0.6059 0.5777 0.6025 -0.1420 -0.0047 0.1399 68 GLY A CA 456 C C . GLY A 61 ? 0.5674 0.5511 0.5706 -0.1449 -0.0001 0.1379 68 GLY A C 457 O O . GLY A 61 ? 0.6598 0.6346 0.6608 -0.1443 0.0046 0.1413 68 GLY A O 458 N N . TRP A 62 ? 0.5068 0.5130 0.5170 -0.1487 -0.0020 0.1330 69 TRP A N 459 C CA . TRP A 62 ? 0.5188 0.5393 0.5349 -0.1522 0.0004 0.1318 69 TRP A CA 460 C C . TRP A 62 ? 0.5528 0.5820 0.5659 -0.1428 0.0032 0.1352 69 TRP A C 461 O O . TRP A 62 ? 0.6431 0.6767 0.6583 -0.1455 0.0069 0.1388 69 TRP A O 462 C CB . TRP A 62 ? 0.4929 0.5330 0.5143 -0.1572 -0.0034 0.1257 69 TRP A CB 463 C CG . TRP A 62 ? 0.6325 0.6888 0.6593 -0.1610 -0.0022 0.1247 69 TRP A CG 464 C CD1 . TRP A 62 ? 0.6684 0.7242 0.7008 -0.1703 0.0002 0.1253 69 TRP A CD1 465 C CD2 . TRP A 62 ? 0.6918 0.7676 0.7171 -0.1573 -0.0047 0.1237 69 TRP A CD2 466 N NE1 . TRP A 62 ? 0.6580 0.7363 0.6947 -0.1719 0.0001 0.1245 69 TRP A NE1 467 C CE2 . TRP A 62 ? 0.6950 0.7845 0.7267 -0.1637 -0.0033 0.1239 69 TRP A CE2 468 C CE3 . TRP A 62 ? 0.6809 0.7631 0.6981 -0.1508 -0.0092 0.1233 69 TRP A CE3 469 C CZ2 . TRP A 62 ? 0.7627 0.8728 0.7930 -0.1627 -0.0063 0.1244 69 TRP A CZ2 470 C CZ3 . TRP A 62 ? 0.6687 0.7665 0.6823 -0.1508 -0.0130 0.1241 69 TRP A CZ3 471 C CH2 . TRP A 62 ? 0.7505 0.8627 0.7707 -0.1562 -0.0115 0.1250 69 TRP A CH2 472 N N . LEU A 63 ? 0.4877 0.5206 0.4950 -0.1336 0.0004 0.1348 70 LEU A N 473 C CA . LEU A 63 ? 0.4522 0.4908 0.4541 -0.1249 0.0004 0.1384 70 LEU A CA 474 C C . LEU A 63 ? 0.4629 0.4873 0.4603 -0.1186 0.0054 0.1430 70 LEU A C 475 O O . LEU A 63 ? 0.4944 0.5265 0.4911 -0.1169 0.0079 0.1479 70 LEU A O 476 C CB . LEU A 63 ? 0.4344 0.4756 0.4285 -0.1190 -0.0056 0.1363 70 LEU A CB 477 C CG . LEU A 63 ? 0.3685 0.4245 0.3624 -0.1250 -0.0115 0.1328 70 LEU A CG 478 C CD1 . LEU A 63 ? 0.2863 0.3409 0.2698 -0.1222 -0.0179 0.1310 70 LEU A CD1 479 C CD2 . LEU A 63 ? 0.3845 0.4549 0.3792 -0.1267 -0.0127 0.1360 70 LEU A CD2 480 N N . LEU A 64 ? 0.3297 0.3356 0.3229 -0.1155 0.0064 0.1423 71 LEU A N 481 C CA . LEU A 64 ? 0.5129 0.5022 0.4989 -0.1088 0.0109 0.1460 71 LEU A CA 482 C C . LEU A 64 ? 0.6625 0.6462 0.6504 -0.1166 0.0163 0.1504 71 LEU A C 483 O O . LEU A 64 ? 0.7680 0.7482 0.7506 -0.1130 0.0204 0.1549 71 LEU A O 484 C CB . LEU A 64 ? 0.3232 0.2947 0.3034 -0.1043 0.0096 0.1450 71 LEU A CB 485 C CG . LEU A 64 ? 0.5026 0.4799 0.4787 -0.0970 0.0048 0.1420 71 LEU A CG 486 C CD1 . LEU A 64 ? 0.3147 0.2800 0.2865 -0.0946 0.0028 0.1427 71 LEU A CD1 487 C CD2 . LEU A 64 ? 0.5314 0.5081 0.4998 -0.0869 0.0059 0.1425 71 LEU A CD2 488 N N . GLY A 65 ? 0.5983 0.5814 0.5924 -0.1287 0.0155 0.1493 72 GLY A N 489 C CA . GLY A 65 ? 0.5253 0.5004 0.5195 -0.1395 0.0192 0.1535 72 GLY A CA 490 C C . GLY A 65 ? 0.5874 0.5296 0.5725 -0.1418 0.0184 0.1553 72 GLY A C 491 O O . GLY A 65 ? 0.7414 0.6673 0.7183 -0.1427 0.0221 0.1606 72 GLY A O 492 N N . ASN A 66 ? 0.5709 0.5032 0.5556 -0.1431 0.0122 0.1519 73 ASN A N 493 C CA . ASN A 66 ? 0.6557 0.5533 0.6290 -0.1462 0.0072 0.1544 73 ASN A CA 494 C C . ASN A 66 ? 0.8235 0.7039 0.7925 -0.1616 0.0060 0.1570 73 ASN A C 495 O O . ASN A 66 ? 1.0160 0.9091 0.9930 -0.1732 0.0040 0.1539 73 ASN A O 496 C CB . ASN A 66 ? 0.6661 0.5619 0.6400 -0.1477 -0.0017 0.1509 73 ASN A CB 497 C CG . ASN A 66 ? 0.7631 0.6199 0.7199 -0.1451 -0.0106 0.1542 73 ASN A CG 498 O OD1 . ASN A 66 ? 0.9470 0.7693 0.8892 -0.1468 -0.0126 0.1573 73 ASN A OD1 499 N ND2 . ASN A 66 ? 0.6459 0.5067 0.6014 -0.1411 -0.0177 0.1539 73 ASN A ND2 500 N N . PRO A 67 ? 0.8671 0.7183 0.8222 -0.1624 0.0066 0.1626 74 PRO A N 501 C CA . PRO A 67 ? 1.0424 0.8730 0.9888 -0.1790 0.0039 0.1662 74 PRO A CA 502 C C . PRO A 67 ? 1.0643 0.8693 1.0020 -0.1912 -0.0086 0.1619 74 PRO A C 503 O O . PRO A 67 ? 0.9999 0.7937 0.9318 -0.2078 -0.0120 0.1630 74 PRO A O 504 C CB . PRO A 67 ? 1.1191 0.9160 1.0474 -0.1737 0.0038 0.1724 74 PRO A CB 505 C CG . PRO A 67 ? 1.0863 0.9026 1.0208 -0.1554 0.0124 0.1728 74 PRO A CG 506 C CD . PRO A 67 ? 0.9517 0.7899 0.8976 -0.1476 0.0101 0.1660 74 PRO A CD 507 N N . GLU A 68 ? 1.1765 0.9714 1.1112 -0.1840 -0.0167 0.1571 75 GLU A N 508 C CA . GLU A 68 ? 1.2927 1.0568 1.2144 -0.1936 -0.0313 0.1515 75 GLU A CA 509 C C . GLU A 68 ? 1.2170 1.0190 1.1594 -0.2019 -0.0296 0.1458 75 GLU A C 510 O O . GLU A 68 ? 1.2041 0.9885 1.1397 -0.2092 -0.0413 0.1395 75 GLU A O 511 C CB . GLU A 68 ? 1.4385 1.1673 1.3416 -0.1811 -0.0440 0.1491 75 GLU A CB 512 C CG . GLU A 68 ? 1.6050 1.2716 1.4766 -0.1849 -0.0649 0.1418 75 GLU A CG 513 C CD . GLU A 68 ? 1.6849 1.3133 1.5322 -0.1602 -0.0780 0.1343 75 GLU A CD 514 O OE1 . GLU A 68 ? 1.7614 1.3623 1.5900 -0.1446 -0.0934 0.1155 75 GLU A OE1 515 O OE2 . GLU A 68 ? 1.6571 1.2959 1.5076 -0.1485 -0.0712 0.1415 75 GLU A OE2 516 N N . CYS A 69 ? 1.0688 0.9189 1.0332 -0.1994 -0.0166 0.1467 76 CYS A N 517 C CA . CYS A 69 ? 0.9578 0.8461 0.9407 -0.2029 -0.0145 0.1407 76 CYS A CA 518 C C . CYS A 69 ? 1.0556 0.9679 1.0484 -0.2116 -0.0077 0.1417 76 CYS A C 519 O O . CYS A 69 ? 1.0685 0.9935 1.0636 -0.2076 0.0002 0.1470 76 CYS A O 520 C CB . CYS A 69 ? 0.8639 0.7846 0.8584 -0.1881 -0.0093 0.1391 76 CYS A CB 521 S SG . CYS A 69 ? 1.1877 1.1516 1.1998 -0.1889 -0.0078 0.1315 76 CYS A SG 522 N N . ASP A 70 ? 1.1948 1.1140 1.1926 -0.2240 -0.0119 0.1366 77 ASP A N 523 C CA . ASP A 70 ? 1.2493 1.1930 1.2561 -0.2340 -0.0072 0.1376 77 ASP A CA 524 C C . ASP A 70 ? 1.3000 1.2885 1.3241 -0.2255 -0.0016 0.1339 77 ASP A C 525 O O . ASP A 70 ? 1.1725 1.1724 1.2030 -0.2226 -0.0046 0.1269 77 ASP A O 526 C CB . ASP A 70 ? 1.2141 1.1385 1.2141 -0.2530 -0.0158 0.1343 77 ASP A CB 527 C CG . ASP A 70 ? 1.2840 1.1550 1.2591 -0.2622 -0.0249 0.1380 77 ASP A CG 528 O OD1 . ASP A 70 ? 1.2817 1.1398 1.2479 -0.2588 -0.0211 0.1455 77 ASP A OD1 529 O OD2 . ASP A 70 ? 1.3242 1.1627 1.2857 -0.2720 -0.0372 0.1325 77 ASP A OD2 530 N N . ARG A 71 ? 1.4236 1.4357 1.4522 -0.2221 0.0053 0.1388 78 ARG A N 531 C CA . ARG A 71 ? 1.4291 1.4782 1.4681 -0.2136 0.0081 0.1367 78 ARG A CA 532 C C . ARG A 71 ? 1.5839 1.6536 1.6317 -0.2239 0.0056 0.1314 78 ARG A C 533 O O . ARG A 71 ? 1.5787 1.6704 1.6324 -0.2168 0.0048 0.1270 78 ARG A O 534 C CB . ARG A 71 ? 1.3213 1.3893 1.3602 -0.2099 0.0136 0.1442 78 ARG A CB 535 C CG . ARG A 71 ? 1.2964 1.4009 1.3417 -0.2018 0.0140 0.1440 78 ARG A CG 536 C CD . ARG A 71 ? 1.3785 1.4791 1.4199 -0.1851 0.0116 0.1418 78 ARG A CD 537 N NE . ARG A 71 ? 1.3739 1.5047 1.4178 -0.1800 0.0089 0.1418 78 ARG A NE 538 C CZ . ARG A 71 ? 1.2083 1.3438 1.2460 -0.1672 0.0061 0.1444 78 ARG A CZ 539 N NH1 . ARG A 71 ? 0.9727 1.0861 1.0028 -0.1576 0.0065 0.1458 78 ARG A NH1 540 N NH2 . ARG A 71 ? 1.1940 1.3561 1.2314 -0.1648 0.0022 0.1460 78 ARG A NH2 541 N N . LEU A 72 ? 1.7741 1.8335 1.8202 -0.2413 0.0035 0.1321 79 LEU A N 542 C CA . LEU A 72 ? 1.8455 1.9228 1.8986 -0.2546 0.0010 0.1279 79 LEU A CA 543 C C . LEU A 72 ? 1.8408 1.9497 1.9046 -0.2473 0.0007 0.1212 79 LEU A C 544 O O . LEU A 72 ? 1.7924 1.9279 1.8627 -0.2555 0.0009 0.1202 79 LEU A O 545 C CB . LEU A 72 ? 1.8628 1.9067 1.9079 -0.2699 -0.0065 0.1246 79 LEU A CB 546 C CG . LEU A 72 ? 1.8109 1.8463 1.8583 -0.2687 -0.0131 0.1147 79 LEU A CG 547 C CD1 . LEU A 72 ? 1.7938 1.8475 1.8487 -0.2807 -0.0158 0.1091 79 LEU A CD1 548 C CD2 . LEU A 72 ? 1.7854 1.7739 1.8171 -0.2744 -0.0218 0.1136 79 LEU A CD2 549 N N . LEU A 73 ? 1.9266 2.0328 1.9902 -0.2332 -0.0005 0.1169 80 LEU A N 550 C CA . LEU A 73 ? 1.8761 2.0070 1.9454 -0.2265 -0.0020 0.1112 80 LEU A CA 551 C C . LEU A 73 ? 1.8051 1.9679 1.8758 -0.2202 0.0006 0.1161 80 LEU A C 552 O O . LEU A 73 ? 1.8084 1.9971 1.8848 -0.2282 0.0010 0.1163 80 LEU A O 553 C CB . LEU A 73 ? 1.8233 1.9437 1.8885 -0.2148 -0.0043 0.1073 80 LEU A CB 554 C CG . LEU A 73 ? 1.8266 1.9174 1.8874 -0.2170 -0.0071 0.1052 80 LEU A CG 555 C CD1 . LEU A 73 ? 1.8530 1.9457 1.9103 -0.2057 -0.0088 0.1023 80 LEU A CD1 556 C CD2 . LEU A 73 ? 1.8121 1.8920 1.8753 -0.2313 -0.0124 0.0989 80 LEU A CD2 557 N N . SER A 74 ? 1.5256 1.6876 1.5900 -0.2068 0.0012 0.1204 81 SER A N 558 C CA . SER A 74 ? 1.2662 1.4573 1.3288 -0.1998 0.0011 0.1262 81 SER A CA 559 C C . SER A 74 ? 1.1390 1.3571 1.2033 -0.1994 -0.0028 0.1224 81 SER A C 560 O O . SER A 74 ? 1.2119 1.4633 1.2812 -0.2041 -0.0025 0.1241 81 SER A O 561 C CB . SER A 74 ? 1.1146 1.3245 1.1804 -0.2062 0.0053 0.1333 81 SER A CB 562 O OG . SER A 74 ? 1.0195 1.2046 1.0804 -0.2046 0.0087 0.1382 81 SER A OG 563 N N . VAL A 75 A 0.9249 1.1313 0.9842 -0.1944 -0.0068 0.1173 81 VAL A N 564 C CA . VAL A 75 A 0.8731 1.1010 0.9307 -0.1942 -0.0113 0.1139 81 VAL A CA 565 C C . VAL A 75 A 0.8486 1.0875 0.8934 -0.1851 -0.0162 0.1215 81 VAL A C 566 O O . VAL A 75 A 0.9645 1.1817 0.9996 -0.1785 -0.0179 0.1246 81 VAL A O 567 C CB . VAL A 75 A 0.8426 1.0543 0.9002 -0.1963 -0.0136 0.1045 81 VAL A CB 568 C CG1 . VAL A 75 A 0.8374 1.0684 0.9032 -0.2042 -0.0146 0.0976 81 VAL A CG1 569 C CG2 . VAL A 75 A 0.7942 0.9769 0.8553 -0.1988 -0.0109 0.1014 81 VAL A CG2 570 N N . PRO A 76 ? 0.7101 0.9852 0.7539 -0.1853 -0.0191 0.1248 82 PRO A N 571 C CA . PRO A 76 ? 0.6699 0.9607 0.6998 -0.1782 -0.0251 0.1348 82 PRO A CA 572 C C . PRO A 76 ? 0.7489 1.0209 0.7629 -0.1785 -0.0326 0.1335 82 PRO A C 573 O O . PRO A 76 ? 0.7533 1.0230 0.7493 -0.1745 -0.0389 0.1430 82 PRO A O 574 C CB . PRO A 76 ? 0.5549 0.8991 0.5910 -0.1788 -0.0257 0.1363 82 PRO A CB 575 C CG . PRO A 76 ? 0.5049 0.8506 0.5530 -0.1876 -0.0234 0.1239 82 PRO A CG 576 C CD . PRO A 76 ? 0.6431 0.9496 0.6983 -0.1925 -0.0177 0.1194 82 PRO A CD 577 N N . GLU A 77 ? 0.7413 0.9985 0.7586 -0.1836 -0.0321 0.1226 83 GLU A N 578 C CA . GLU A 77 ? 0.6279 0.8728 0.6293 -0.1858 -0.0389 0.1205 83 GLU A CA 579 C C . GLU A 77 ? 0.5831 0.8080 0.5914 -0.1879 -0.0350 0.1087 83 GLU A C 580 O O . GLU A 77 ? 0.6396 0.8676 0.6647 -0.1906 -0.0294 0.1017 83 GLU A O 581 C CB . GLU A 77 ? 0.6378 0.9134 0.6334 -0.1905 -0.0450 0.1216 83 GLU A CB 582 C CG . GLU A 77 ? 0.8775 1.1408 0.8510 -0.1961 -0.0538 0.1218 83 GLU A CG 583 C CD . GLU A 77 ? 1.0330 1.3280 1.0030 -0.2006 -0.0617 0.1202 83 GLU A CD 584 O OE1 . GLU A 77 ? 0.9634 1.2900 0.9528 -0.1971 -0.0579 0.1138 83 GLU A OE1 585 O OE2 . GLU A 77 ? 1.1031 1.3766 1.0408 -0.1969 -0.0727 0.1202 83 GLU A OE2 586 N N . TRP A 78 ? 0.5056 0.7129 0.5001 -0.1877 -0.0386 0.1074 84 TRP A N 587 C CA . TRP A 78 ? 0.5430 0.7412 0.5432 -0.1895 -0.0354 0.0972 84 TRP A CA 588 C C . TRP A 78 ? 0.6047 0.7985 0.5851 -0.1924 -0.0410 0.0964 84 TRP A C 589 O O . TRP A 78 ? 0.5294 0.7177 0.4897 -0.1934 -0.0484 0.1041 84 TRP A O 590 C CB . TRP A 78 ? 0.4948 0.6774 0.5073 -0.1863 -0.0294 0.0949 84 TRP A CB 591 C CG . TRP A 78 ? 0.5672 0.7357 0.5691 -0.1811 -0.0311 0.1005 84 TRP A CG 592 C CD1 . TRP A 78 ? 0.6673 0.8301 0.6574 -0.1813 -0.0340 0.0989 84 TRP A CD1 593 C CD2 . TRP A 78 ? 0.5520 0.7128 0.5544 -0.1755 -0.0299 0.1080 84 TRP A CD2 594 N NE1 . TRP A 78 ? 0.5605 0.7116 0.5445 -0.1763 -0.0353 0.1045 84 TRP A NE1 595 C CE2 . TRP A 78 ? 0.4301 0.5781 0.4215 -0.1718 -0.0327 0.1100 84 TRP A CE2 596 C CE3 . TRP A 78 ? 0.6922 0.8587 0.7031 -0.1738 -0.0266 0.1131 84 TRP A CE3 597 C CZ2 . TRP A 78 ? 0.4226 0.5599 0.4119 -0.1651 -0.0323 0.1161 84 TRP A CZ2 598 C CZ3 . TRP A 78 ? 0.5977 0.7551 0.6056 -0.1672 -0.0258 0.1202 84 TRP A CZ3 599 C CH2 . TRP A 78 ? 0.4547 0.5957 0.4521 -0.1623 -0.0287 0.1212 84 TRP A CH2 600 N N . SER A 79 ? 0.6902 0.8869 0.6753 -0.1952 -0.0386 0.0872 85 SER A N 601 C CA . SER A 79 ? 0.6537 0.8518 0.6199 -0.1999 -0.0426 0.0858 85 SER A CA 602 C C . SER A 79 ? 0.5956 0.7877 0.5592 -0.1987 -0.0410 0.0843 85 SER A C 603 O O . SER A 79 ? 0.7071 0.8949 0.6497 -0.2015 -0.0465 0.0894 85 SER A O 604 C CB . SER A 79 ? 0.6750 0.8861 0.6477 -0.2038 -0.0408 0.0765 85 SER A CB 605 O OG . SER A 79 ? 0.8513 1.0639 0.8478 -0.2020 -0.0351 0.0678 85 SER A OG 606 N N . TYR A 80 ? 0.4266 0.6201 0.4102 -0.1965 -0.0350 0.0774 86 TYR A N 607 C CA . TYR A 80 ? 0.3549 0.5479 0.3394 -0.1957 -0.0334 0.0760 86 TYR A CA 608 C C . TYR A 80 ? 0.3752 0.5579 0.3782 -0.1919 -0.0293 0.0761 86 TYR A C 609 O O . TYR A 80 ? 0.5597 0.7350 0.5728 -0.1903 -0.0275 0.0780 86 TYR A O 610 C CB . TYR A 80 ? 0.3622 0.5742 0.3473 -0.2007 -0.0322 0.0669 86 TYR A CB 611 C CG . TYR A 80 ? 0.5345 0.7550 0.5393 -0.2025 -0.0302 0.0567 86 TYR A CG 612 C CD1 . TYR A 80 ? 0.4706 0.6957 0.4928 -0.2036 -0.0292 0.0496 86 TYR A CD1 613 C CD2 . TYR A 80 ? 0.5357 0.7604 0.5407 -0.2045 -0.0312 0.0537 86 TYR A CD2 614 C CE1 . TYR A 80 ? 0.4740 0.7048 0.5117 -0.2073 -0.0306 0.0396 86 TYR A CE1 615 C CE2 . TYR A 80 ? 0.3705 0.6022 0.3929 -0.2069 -0.0310 0.0438 86 TYR A CE2 616 C CZ . TYR A 80 ? 0.4260 0.6594 0.4638 -0.2086 -0.0313 0.0368 86 TYR A CZ 617 O OH . TYR A 80 ? 0.4835 0.7213 0.5356 -0.2129 -0.0343 0.0264 86 TYR A OH 618 N N . ILE A 81 ? 0.3101 0.4946 0.3159 -0.1919 -0.0281 0.0747 87 ILE A N 619 C CA . ILE A 81 ? 0.4013 0.5745 0.4213 -0.1907 -0.0255 0.0756 87 ILE A CA 620 C C . ILE A 81 ? 0.5352 0.7216 0.5668 -0.1968 -0.0262 0.0664 87 ILE A C 621 O O . ILE A 81 ? 0.6627 0.8699 0.6897 -0.1983 -0.0274 0.0618 87 ILE A O 622 C CB . ILE A 81 ? 0.4829 0.6449 0.4954 -0.1853 -0.0254 0.0837 87 ILE A CB 623 C CG1 . ILE A 81 ? 0.5127 0.6643 0.5135 -0.1797 -0.0275 0.0915 87 ILE A CG1 624 C CG2 . ILE A 81 ? 0.5369 0.6850 0.5616 -0.1852 -0.0228 0.0857 87 ILE A CG2 625 C CD1 . ILE A 81 ? 0.3858 0.5255 0.3798 -0.1738 -0.0285 0.0984 87 ILE A CD1 626 N N . MET A 82 ? 0.5592 0.7359 0.6044 -0.2017 -0.0270 0.0631 88 MET A N 627 C CA . MET A 82 ? 0.6408 0.8284 0.6958 -0.2095 -0.0324 0.0526 88 MET A CA 628 C C . MET A 82 ? 0.6859 0.8535 0.7442 -0.2140 -0.0356 0.0565 88 MET A C 629 O O . MET A 82 ? 0.7318 0.8704 0.7881 -0.2132 -0.0326 0.0663 88 MET A O 630 C CB . MET A 82 ? 0.7109 0.9007 0.7739 -0.2161 -0.0366 0.0425 88 MET A CB 631 C CG . MET A 82 ? 0.7956 0.9610 0.8612 -0.2182 -0.0344 0.0487 88 MET A CG 632 S SD . MET A 82 ? 1.0538 1.2248 1.1270 -0.2261 -0.0397 0.0366 88 MET A SD 633 C CE . MET A 82 ? 1.0379 1.2033 1.1127 -0.2369 -0.0540 0.0219 88 MET A CE 634 N N . GLU A 83 ? 0.6550 0.8323 0.7118 -0.2075 -0.0415 0.0453 89 GLU A N 635 C CA . GLU A 83 ? 0.7990 0.9427 0.8470 -0.1949 -0.0450 0.0445 89 GLU A CA 636 C C . GLU A 83 ? 0.9634 1.0947 1.0029 -0.1784 -0.0558 0.0239 89 GLU A C 637 O O . GLU A 83 ? 0.8075 0.9410 0.8483 -0.1801 -0.0612 0.0125 89 GLU A O 638 C CB . GLU A 83 ? 0.8052 0.9631 0.8494 -0.1874 -0.0412 0.0504 89 GLU A CB 639 C CG . GLU A 83 ? 0.8257 0.9790 0.8710 -0.1985 -0.0334 0.0712 89 GLU A CG 640 C CD . GLU A 83 ? 0.9331 1.0973 0.9722 -0.1914 -0.0315 0.0760 89 GLU A CD 641 O OE1 . GLU A 83 ? 0.9197 1.1085 0.9568 -0.1810 -0.0349 0.0631 89 GLU A OE1 642 O OE2 . GLU A 83 ? 1.0195 1.1685 1.0542 -0.1931 -0.0270 0.0910 89 GLU A OE2 643 N N . LYS A 84 ? 1.4166 1.5339 1.4452 -0.1605 -0.0602 0.0185 90 LYS A N 644 C CA . LYS A 84 ? 1.5753 1.6756 1.5897 -0.1387 -0.0730 -0.0022 90 LYS A CA 645 C C . LYS A 84 ? 1.6691 1.7930 1.6785 -0.1182 -0.0739 -0.0095 90 LYS A C 646 O O . LYS A 84 ? 1.6272 1.7693 1.6431 -0.1245 -0.0650 0.0039 90 LYS A O 647 C CB . LYS A 84 ? 1.6157 1.6478 1.6132 -0.1391 -0.0812 0.0013 90 LYS A CB 648 C CG . LYS A 84 ? 1.6376 1.6370 1.6148 -0.1218 -0.0981 -0.0197 90 LYS A CG 649 C CD . LYS A 84 ? 1.6116 1.5769 1.5646 -0.0952 -0.1092 -0.0293 90 LYS A CD 650 C CE . LYS A 84 ? 1.5512 1.4382 1.4743 -0.0941 -0.1250 -0.0322 90 LYS A CE 651 N NZ . LYS A 84 ? 1.4964 1.3442 1.3898 -0.0645 -0.1389 -0.0438 90 LYS A NZ 652 N N . GLU A 85 ? 1.6987 1.8237 1.6953 -0.0926 -0.0857 -0.0315 91 GLU A N 653 C CA . GLU A 85 ? 1.7258 1.8728 1.7158 -0.0694 -0.0886 -0.0412 91 GLU A CA 654 C C . GLU A 85 ? 1.7275 1.8227 1.7050 -0.0649 -0.0897 -0.0292 91 GLU A C 655 O O . GLU A 85 ? 1.7830 1.8148 1.7449 -0.0660 -0.0968 -0.0255 91 GLU A O 656 C CB . GLU A 85 ? 1.7643 1.9197 1.7396 -0.0386 -0.1035 -0.0699 91 GLU A CB 657 C CG . GLU A 85 ? 1.7665 2.0047 1.7525 -0.0281 -0.1010 -0.0853 91 GLU A CG 658 C CD . GLU A 85 ? 1.8113 2.0648 1.7817 0.0095 -0.1130 -0.1086 91 GLU A CD 659 O OE1 . GLU A 85 ? 1.8345 2.0814 1.7897 0.0345 -0.1272 -0.1319 91 GLU A OE1 660 O OE2 . GLU A 85 ? 1.7913 2.0630 1.7630 0.0158 -0.1094 -0.1046 91 GLU A OE2 661 N N . ASN A 86 ? 1.4792 1.6016 1.4619 -0.0619 -0.0831 -0.0224 92 ASN A N 662 C CA . ASN A 86 ? 1.4794 1.5601 1.4502 -0.0547 -0.0838 -0.0121 92 ASN A CA 663 C C . ASN A 86 ? 1.4616 1.4985 1.4346 -0.0788 -0.0756 0.0134 92 ASN A C 664 O O . ASN A 86 ? 1.3985 1.4028 1.3696 -0.0927 -0.0769 0.0184 92 ASN A O 665 C CB . ASN A 86 ? 1.5660 1.6011 1.5098 -0.0247 -0.1005 -0.0298 92 ASN A CB 666 C CG . ASN A 86 ? 1.5886 1.6270 1.5229 -0.0027 -0.1033 -0.0333 92 ASN A CG 667 O OD1 . ASN A 86 ? 1.5846 1.6368 1.5294 -0.0139 -0.0927 -0.0168 92 ASN A OD1 668 N ND2 . ASN A 86 ? 1.5704 1.5946 1.4826 0.0307 -0.1191 -0.0558 92 ASN A ND2 669 N N . PRO A 87 ? 1.7224 1.7630 1.6993 -0.0837 -0.0675 0.0292 93 PRO A N 670 C CA . PRO A 87 ? 1.7264 1.7271 1.7024 -0.1012 -0.0607 0.0518 93 PRO A CA 671 C C . PRO A 87 ? 1.7540 1.6933 1.7076 -0.0895 -0.0681 0.0541 93 PRO A C 672 O O . PRO A 87 ? 1.7860 1.7199 1.7266 -0.0660 -0.0755 0.0431 93 PRO A O 673 C CB . PRO A 87 ? 1.6965 1.7302 1.6833 -0.1089 -0.0505 0.0658 93 PRO A CB 674 C CG . PRO A 87 ? 1.6748 1.7681 1.6695 -0.1025 -0.0511 0.0521 93 PRO A CG 675 C CD . PRO A 87 ? 1.7159 1.8083 1.7011 -0.0791 -0.0627 0.0284 93 PRO A CD 676 N N . ARG A 88 ? 1.5936 1.4894 1.5412 -0.1065 -0.0666 0.0682 94 ARG A N 677 C CA . ARG A 88 ? 1.4916 1.3260 1.4151 -0.1020 -0.0725 0.0751 94 ARG A CA 678 C C . ARG A 88 ? 1.3005 1.1084 1.2248 -0.1294 -0.0656 0.0959 94 ARG A C 679 O O . ARG A 88 ? 1.0897 0.9314 1.0348 -0.1461 -0.0534 0.1090 94 ARG A O 680 C CB . ARG A 88 ? 1.5521 1.3416 1.4478 -0.0834 -0.0905 0.0562 94 ARG A CB 681 C CG . ARG A 88 ? 1.6338 1.3873 1.5197 -0.1011 -0.0972 0.0560 94 ARG A CG 682 C CD . ARG A 88 ? 1.6809 1.4785 1.5846 -0.1026 -0.0974 0.0418 94 ARG A CD 683 N NE . ARG A 88 ? 1.7276 1.5333 1.6190 -0.0717 -0.1107 0.0160 94 ARG A NE 684 C CZ . ARG A 88 ? 1.7007 1.5503 1.6046 -0.0657 -0.1124 -0.0004 94 ARG A CZ 685 N NH1 . ARG A 88 ? 1.7015 1.5865 1.6297 -0.0890 -0.1020 0.0069 94 ARG A NH1 686 N NH2 . ARG A 88 ? 1.6581 1.5185 1.5489 -0.0347 -0.1250 -0.0248 94 ARG A NH2 687 N N . LEU A 91 ? 0.6954 0.5890 0.6419 -0.1011 -0.0371 0.1323 96 LEU A N 688 C CA . LEU A 91 ? 0.7387 0.6093 0.6809 -0.1096 -0.0301 0.1526 96 LEU A CA 689 C C . LEU A 91 ? 0.8366 0.6553 0.7567 -0.0992 -0.0353 0.1552 96 LEU A C 690 O O . LEU A 91 ? 0.8220 0.6285 0.7299 -0.0789 -0.0438 0.1427 96 LEU A O 691 C CB . LEU A 91 ? 0.7134 0.6116 0.6616 -0.1083 -0.0244 0.1619 96 LEU A CB 692 C CG . LEU A 91 ? 0.6231 0.5637 0.5878 -0.1152 -0.0179 0.1563 96 LEU A CG 693 C CD1 . LEU A 91 ? 0.6419 0.5989 0.6063 -0.1054 -0.0150 0.1542 96 LEU A CD1 694 C CD2 . LEU A 91 ? 0.4017 0.3408 0.3736 -0.1181 -0.0106 0.1513 96 LEU A CD2 695 N N . CYS A 92 ? 0.9993 0.7988 0.9168 -0.1071 -0.0279 0.1631 97 CYS A N 696 C CA . CYS A 92 ? 1.0360 0.7892 0.9324 -0.0995 -0.0310 0.1640 97 CYS A CA 697 C C . CYS A 92 ? 1.0002 0.7496 0.8898 -0.0810 -0.0290 0.1661 97 CYS A C 698 O O . CYS A 92 ? 1.0281 0.7364 0.8940 -0.0680 -0.0406 0.1649 97 CYS A O 699 C CB . CYS A 92 ? 1.0356 0.7921 0.9387 -0.1095 -0.0192 0.1650 97 CYS A CB 700 S SG . CYS A 92 ? 2.4233 2.2227 2.3445 -0.1044 -0.0002 0.1659 97 CYS A SG 701 N N . TYR A 93 ? 0.8370 0.6245 0.7429 -0.0775 -0.0159 0.1664 98 TYR A N 702 C CA . TYR A 93 ? 0.7272 0.5159 0.6279 -0.0614 -0.0138 0.1671 98 TYR A CA 703 C C . TYR A 93 ? 0.6425 0.4573 0.5485 -0.0596 -0.0217 0.1676 98 TYR A C 704 O O . TYR A 93 ? 0.7060 0.5573 0.6276 -0.0681 -0.0168 0.1652 98 TYR A O 705 C CB . TYR A 93 ? 0.7944 0.6003 0.7010 -0.0583 0.0017 0.1650 98 TYR A CB 706 C CG . TYR A 93 ? 0.8565 0.6491 0.7516 -0.0422 0.0055 0.1656 98 TYR A CG 707 C CD1 . TYR A 93 ? 0.8174 0.5923 0.7055 -0.0386 0.0141 0.1688 98 TYR A CD1 708 C CD2 . TYR A 93 ? 0.8755 0.6763 0.7676 -0.0318 0.0002 0.1642 98 TYR A CD2 709 C CE1 . TYR A 93 ? 0.7829 0.5490 0.6629 -0.0236 0.0182 0.1697 98 TYR A CE1 710 C CE2 . TYR A 93 ? 0.8203 0.6095 0.7018 -0.0167 0.0038 0.1642 98 TYR A CE2 711 C CZ . TYR A 93 ? 0.8257 0.5994 0.7029 -0.0121 0.0129 0.1659 98 TYR A CZ 712 O OH . TYR A 93 ? 0.8834 0.6569 0.7587 0.0019 0.0155 0.1640 98 TYR A OH 713 N N . PRO A 94 ? 0.4828 0.2792 0.3730 -0.0475 -0.0361 0.1702 99 PRO A N 714 C CA . PRO A 94 ? 0.4448 0.2878 0.3462 -0.0393 -0.0394 0.1563 99 PRO A CA 715 C C . PRO A 94 ? 0.5772 0.4519 0.4880 -0.0478 -0.0333 0.1674 99 PRO A C 716 O O . PRO A 94 ? 0.7186 0.5825 0.6277 -0.0436 -0.0240 0.1678 99 PRO A O 717 C CB . PRO A 94 ? 0.4954 0.3228 0.3810 -0.0133 -0.0489 0.1434 99 PRO A CB 718 C CG . PRO A 94 ? 0.6403 0.4109 0.5056 -0.0093 -0.0489 0.1564 99 PRO A CG 719 C CD . PRO A 94 ? 0.5099 0.2580 0.3760 -0.0307 -0.0436 0.1679 99 PRO A CD 720 N N . GLY A 95 ? 0.6308 0.5090 0.6003 -0.0770 -0.0242 0.0595 100 GLY A N 721 C CA . GLY A 95 ? 0.6273 0.5188 0.6105 -0.0720 -0.0193 0.0612 100 GLY A CA 722 C C . GLY A 95 ? 0.5120 0.4227 0.5114 -0.0700 -0.0161 0.0609 100 GLY A C 723 O O . GLY A 95 ? 0.5631 0.4746 0.5637 -0.0697 -0.0187 0.0572 100 GLY A O 724 N N . SER A 96 ? 0.3739 0.2990 0.3846 -0.0683 -0.0104 0.0648 101 SER A N 725 C CA . SER A 96 ? 0.4260 0.3676 0.4505 -0.0664 -0.0070 0.0655 101 SER A CA 726 C C . SER A 96 ? 0.4571 0.4146 0.4879 -0.0685 -0.0010 0.0722 101 SER A C 727 O O . SER A 96 ? 0.5228 0.4797 0.5500 -0.0700 0.0013 0.0756 101 SER A O 728 C CB . SER A 96 ? 0.5412 0.4820 0.5756 -0.0596 -0.0078 0.0617 101 SER A CB 729 O OG . SER A 96 ? 0.5481 0.4879 0.5851 -0.0569 -0.0057 0.0642 101 SER A OG 730 N N . PHE A 97 ? 0.4378 0.4094 0.4775 -0.0683 0.0017 0.0740 102 PHE A N 731 C CA . PHE A 97 ? 0.4095 0.3963 0.4558 -0.0690 0.0064 0.0801 102 PHE A CA 732 C C . PHE A 97 ? 0.5246 0.5179 0.5815 -0.0640 0.0091 0.0810 102 PHE A C 733 O O . PHE A 97 ? 0.7184 0.7147 0.7785 -0.0635 0.0090 0.0791 102 PHE A O 734 C CB . PHE A 97 ? 0.4012 0.3979 0.4456 -0.0745 0.0061 0.0822 102 PHE A CB 735 C CG . PHE A 97 ? 0.4053 0.4145 0.4524 -0.0773 0.0090 0.0878 102 PHE A CG 736 C CD1 . PHE A 97 ? 0.4039 0.4130 0.4449 -0.0841 0.0080 0.0888 102 PHE A CD1 737 C CD2 . PHE A 97 ? 0.4774 0.4989 0.5338 -0.0733 0.0125 0.0921 102 PHE A CD2 738 C CE1 . PHE A 97 ? 0.4191 0.4427 0.4651 -0.0868 0.0109 0.0936 102 PHE A CE1 739 C CE2 . PHE A 97 ? 0.4048 0.4394 0.4652 -0.0748 0.0148 0.0967 102 PHE A CE2 740 C CZ . PHE A 97 ? 0.3399 0.3769 0.3961 -0.0815 0.0142 0.0972 102 PHE A CZ 741 N N . ASN A 98 ? 0.3305 0.3253 0.3922 -0.0605 0.0117 0.0839 103 ASN A N 742 C CA . ASN A 98 ? 0.2858 0.2842 0.3566 -0.0563 0.0140 0.0853 103 ASN A CA 743 C C . ASN A 98 ? 0.3699 0.3820 0.4449 -0.0570 0.0169 0.0904 103 ASN A C 744 O O . ASN A 98 ? 0.5217 0.5423 0.5958 -0.0582 0.0178 0.0945 103 ASN A O 745 C CB . ASN A 98 ? 0.2739 0.2665 0.3468 -0.0520 0.0148 0.0861 103 ASN A CB 746 C CG . ASN A 98 ? 0.5403 0.5181 0.6093 -0.0502 0.0111 0.0805 103 ASN A CG 747 O OD1 . ASN A 98 ? 0.6247 0.5977 0.6951 -0.0504 0.0082 0.0757 103 ASN A OD1 748 N ND2 . ASN A 98 ? 0.6623 0.6328 0.7260 -0.0481 0.0109 0.0806 103 ASN A ND2 749 N N . ASP A 99 ? 0.2993 0.3136 0.3789 -0.0562 0.0182 0.0902 104 ASP A N 750 C CA . ASP A 99 ? 0.3807 0.4054 0.4616 -0.0568 0.0205 0.0950 104 ASP A CA 751 C C . ASP A 99 ? 0.4507 0.4828 0.5256 -0.0608 0.0188 0.0958 104 ASP A C 752 O O . ASP A 99 ? 0.5168 0.5584 0.5917 -0.0609 0.0193 0.1006 104 ASP A O 753 C CB . ASP A 99 ? 0.4151 0.4433 0.5001 -0.0532 0.0226 0.1009 104 ASP A CB 754 C CG . ASP A 99 ? 0.6759 0.6961 0.7666 -0.0500 0.0239 0.1005 104 ASP A CG 755 O OD1 . ASP A 99 ? 0.8202 0.8370 0.9138 -0.0512 0.0245 0.0972 104 ASP A OD1 756 O OD2 . ASP A 99 ? 0.7610 0.7787 0.8538 -0.0463 0.0244 0.1030 104 ASP A OD2 757 N N . TYR A 100 ? 0.4211 0.4480 0.4905 -0.0638 0.0161 0.0906 105 TYR A N 758 C CA . TYR A 100 ? 0.3525 0.3837 0.4151 -0.0684 0.0135 0.0904 105 TYR A CA 759 C C . TYR A 100 ? 0.4237 0.4640 0.4848 -0.0692 0.0142 0.0928 105 TYR A C 760 O O . TYR A 100 ? 0.4936 0.5420 0.5521 -0.0719 0.0124 0.0956 105 TYR A O 761 C CB . TYR A 100 ? 0.2798 0.3003 0.3356 -0.0709 0.0099 0.0840 105 TYR A CB 762 C CG . TYR A 100 ? 0.2037 0.2256 0.2515 -0.0766 0.0065 0.0834 105 TYR A CG 763 C CD1 . TYR A 100 ? 0.2956 0.3238 0.3433 -0.0805 0.0060 0.0874 105 TYR A CD1 764 C CD2 . TYR A 100 ? 0.4684 0.4856 0.5092 -0.0782 0.0037 0.0786 105 TYR A CD2 765 C CE1 . TYR A 100 ? 0.2598 0.2897 0.3013 -0.0868 0.0024 0.0868 105 TYR A CE1 766 C CE2 . TYR A 100 ? 0.4588 0.4757 0.4917 -0.0838 -0.0003 0.0778 105 TYR A CE2 767 C CZ . TYR A 100 ? 0.3987 0.4218 0.4322 -0.0887 -0.0011 0.0821 105 TYR A CZ 768 O OH . TYR A 100 ? 0.5309 0.5540 0.5575 -0.0954 -0.0053 0.0813 105 TYR A OH 769 N N . GLU A 101 ? 0.5455 0.5846 0.6080 -0.0670 0.0168 0.0915 106 GLU A N 770 C CA . GLU A 101 ? 0.5686 0.6143 0.6267 -0.0676 0.0180 0.0934 106 GLU A CA 771 C C . GLU A 101 ? 0.5425 0.5965 0.6025 -0.0661 0.0191 0.1010 106 GLU A C 772 O O . GLU A 101 ? 0.4971 0.5580 0.5517 -0.0676 0.0171 0.1036 106 GLU A O 773 C CB . GLU A 101 ? 0.6324 0.6756 0.6921 -0.0659 0.0219 0.0905 106 GLU A CB 774 C CG . GLU A 101 ? 0.7883 0.8322 0.8395 -0.0674 0.0214 0.0861 106 GLU A CG 775 C CD . GLU A 101 ? 0.9864 1.0224 1.0344 -0.0682 0.0174 0.0784 106 GLU A CD 776 O OE1 . GLU A 101 ? 0.9877 1.0170 1.0409 -0.0672 0.0159 0.0761 106 GLU A OE1 777 O OE2 . GLU A 101 ? 1.1101 1.1451 1.1492 -0.0696 0.0151 0.0745 106 GLU A OE2 778 N N . GLU A 102 ? 0.4900 0.5424 0.5571 -0.0628 0.0215 0.1043 107 GLU A N 779 C CA . GLU A 102 ? 0.3633 0.4215 0.4323 -0.0600 0.0219 0.1112 107 GLU A CA 780 C C . GLU A 102 ? 0.4462 0.5133 0.5149 -0.0611 0.0181 0.1129 107 GLU A C 781 O O . GLU A 102 ? 0.6199 0.6952 0.6877 -0.0598 0.0165 0.1176 107 GLU A O 782 C CB . GLU A 102 ? 0.3826 0.4352 0.4588 -0.0560 0.0241 0.1130 107 GLU A CB 783 C CG . GLU A 102 ? 0.6469 0.6933 0.7250 -0.0551 0.0280 0.1138 107 GLU A CG 784 C CD . GLU A 102 ? 0.7769 0.8259 0.8511 -0.0538 0.0295 0.1206 107 GLU A CD 785 O OE1 . GLU A 102 ? 0.6774 0.7318 0.7501 -0.0513 0.0270 0.1252 107 GLU A OE1 786 O OE2 . GLU A 102 ? 0.8019 0.8477 0.8746 -0.0552 0.0333 0.1215 107 GLU A OE2 787 N N . LEU A 103 ? 0.3655 0.4311 0.4352 -0.0638 0.0164 0.1092 108 LEU A N 788 C CA . LEU A 103 ? 0.3548 0.4299 0.4257 -0.0664 0.0136 0.1105 108 LEU A CA 789 C C . LEU A 103 ? 0.4656 0.5467 0.5303 -0.0710 0.0097 0.1097 108 LEU A C 790 O O . LEU A 103 ? 0.5428 0.6355 0.6095 -0.0718 0.0069 0.1128 108 LEU A O 791 C CB . LEU A 103 ? 0.3193 0.3893 0.3910 -0.0690 0.0136 0.1071 108 LEU A CB 792 C CG . LEU A 103 ? 0.3489 0.4295 0.4228 -0.0731 0.0118 0.1083 108 LEU A CG 793 C CD1 . LEU A 103 ? 0.3379 0.4320 0.4202 -0.0685 0.0128 0.1135 108 LEU A CD1 794 C CD2 . LEU A 103 ? 0.3503 0.4232 0.4225 -0.0761 0.0129 0.1055 108 LEU A CD2 795 N N . LYS A 104 ? 0.4269 0.5000 0.4843 -0.0736 0.0091 0.1051 109 LYS A N 796 C CA . LYS A 104 ? 0.4019 0.4780 0.4512 -0.0777 0.0051 0.1034 109 LYS A CA 797 C C . LYS A 104 ? 0.3720 0.4556 0.4186 -0.0749 0.0047 0.1080 109 LYS A C 798 O O . LYS A 104 ? 0.4693 0.5607 0.5125 -0.0773 0.0001 0.1092 109 LYS A O 799 C CB . LYS A 104 ? 0.2124 0.2774 0.2539 -0.0793 0.0050 0.0969 109 LYS A CB 800 C CG . LYS A 104 ? 0.2756 0.3306 0.3171 -0.0817 0.0039 0.0921 109 LYS A CG 801 C CD . LYS A 104 ? 0.3063 0.3510 0.3388 -0.0831 0.0018 0.0852 109 LYS A CD 802 C CE . LYS A 104 ? 0.3740 0.4164 0.4068 -0.0783 0.0060 0.0831 109 LYS A CE 803 N NZ . LYS A 104 ? 0.3549 0.3888 0.3795 -0.0784 0.0041 0.0755 109 LYS A NZ 804 N N . TYR A 105 ? 0.3965 0.4768 0.4440 -0.0702 0.0091 0.1107 110 TYR A N 805 C CA . TYR A 105 ? 0.4676 0.5522 0.5107 -0.0674 0.0091 0.1160 110 TYR A CA 806 C C . TYR A 105 ? 0.5145 0.6093 0.5635 -0.0647 0.0060 0.1215 110 TYR A C 807 O O . TYR A 105 ? 0.6174 0.7190 0.6617 -0.0639 0.0020 0.1247 110 TYR A O 808 C CB . TYR A 105 ? 0.4401 0.5174 0.4829 -0.0640 0.0152 0.1180 110 TYR A CB 809 C CG . TYR A 105 ? 0.4366 0.5158 0.4745 -0.0607 0.0156 0.1251 110 TYR A CG 810 C CD1 . TYR A 105 ? 0.3990 0.4778 0.4244 -0.0616 0.0155 0.1261 110 TYR A CD1 811 C CD2 . TYR A 105 ? 0.7164 0.7960 0.7605 -0.0562 0.0159 0.1307 110 TYR A CD2 812 C CE1 . TYR A 105 ? 0.7130 0.7914 0.7315 -0.0585 0.0156 0.1331 110 TYR A CE1 813 C CE2 . TYR A 105 ? 0.9126 0.9915 0.9507 -0.0527 0.0155 0.1374 110 TYR A CE2 814 C CZ . TYR A 105 ? 1.0006 1.0786 1.0255 -0.0541 0.0153 0.1389 110 TYR A CZ 815 O OH . TYR A 105 ? 1.2075 1.2827 1.2241 -0.0507 0.0146 0.1461 110 TYR A OH 816 N N . LEU A 106 ? 0.4417 0.5377 0.5009 -0.0628 0.0074 0.1222 111 LEU A N 817 C CA . LEU A 106 ? 0.4334 0.5402 0.5001 -0.0591 0.0051 0.1266 111 LEU A CA 818 C C . LEU A 106 ? 0.4436 0.5634 0.5119 -0.0633 -0.0005 0.1256 111 LEU A C 819 O O . LEU A 106 ? 0.4872 0.6184 0.5584 -0.0605 -0.0046 0.1292 111 LEU A O 820 C CB . LEU A 106 ? 0.3902 0.4953 0.4664 -0.0563 0.0085 0.1262 111 LEU A CB 821 C CG . LEU A 106 ? 0.3410 0.4592 0.4266 -0.0524 0.0067 0.1292 111 LEU A CG 822 C CD1 . LEU A 106 ? 0.2100 0.3256 0.2978 -0.0439 0.0078 0.1341 111 LEU A CD1 823 C CD2 . LEU A 106 ? 0.3470 0.4674 0.4394 -0.0547 0.0090 0.1260 111 LEU A CD2 824 N N . LEU A 107 ? 0.4272 0.5449 0.4938 -0.0701 -0.0013 0.1205 112 LEU A N 825 C CA . LEU A 107 ? 0.4081 0.5370 0.4771 -0.0760 -0.0065 0.1191 112 LEU A CA 826 C C . LEU A 107 ? 0.5064 0.6349 0.5647 -0.0798 -0.0119 0.1173 112 LEU A C 827 O O . LEU A 107 ? 0.5041 0.6408 0.5633 -0.0856 -0.0172 0.1157 112 LEU A O 828 C CB . LEU A 107 ? 0.2958 0.4208 0.3674 -0.0821 -0.0049 0.1150 112 LEU A CB 829 C CG . LEU A 107 ? 0.3703 0.4979 0.4518 -0.0792 -0.0003 0.1165 112 LEU A CG 830 C CD1 . LEU A 107 ? 0.3557 0.4747 0.4351 -0.0853 0.0015 0.1125 112 LEU A CD1 831 C CD2 . LEU A 107 ? 0.4098 0.5568 0.5027 -0.0777 -0.0020 0.1199 112 LEU A CD2 832 N N . SER A 108 ? 0.3932 0.5124 0.4411 -0.0768 -0.0102 0.1175 113 SER A N 833 C CA . SER A 108 ? 0.3866 0.5037 0.4217 -0.0794 -0.0145 0.1155 113 SER A CA 834 C C . SER A 108 ? 0.4504 0.5807 0.4858 -0.0790 -0.0218 0.1188 113 SER A C 835 O O . SER A 108 ? 0.4276 0.5587 0.4540 -0.0828 -0.0276 0.1162 113 SER A O 836 C CB . SER A 108 ? 0.4517 0.5582 0.4763 -0.0755 -0.0099 0.1159 113 SER A CB 837 O OG . SER A 108 ? 0.6458 0.7549 0.6711 -0.0695 -0.0084 0.1226 113 SER A OG 838 N N . SER A 109 ? 0.5031 0.6432 0.5485 -0.0738 -0.0221 0.1240 114 SER A N 839 C CA . SER A 109 ? 0.3986 0.5534 0.4475 -0.0723 -0.0297 0.1269 114 SER A CA 840 C C . SER A 109 ? 0.4711 0.6383 0.5365 -0.0674 -0.0288 0.1305 114 SER A C 841 O O . SER A 109 ? 0.5276 0.6888 0.5961 -0.0616 -0.0229 0.1331 114 SER A O 842 C CB . SER A 109 ? 0.3709 0.5212 0.4061 -0.0670 -0.0323 0.1307 114 SER A CB 843 O OG . SER A 109 ? 0.5739 0.7292 0.6149 -0.0589 -0.0327 0.1369 114 SER A OG 844 N N . VAL A 110 ? 0.4449 0.6299 0.5214 -0.0697 -0.0346 0.1302 115 VAL A N 845 C CA . VAL A 110 ? 0.3676 0.5675 0.4607 -0.0641 -0.0341 0.1330 115 VAL A CA 846 C C . VAL A 110 ? 0.4508 0.6695 0.5508 -0.0619 -0.0434 0.1347 115 VAL A C 847 O O . VAL A 110 ? 0.4122 0.6357 0.5080 -0.0681 -0.0505 0.1324 115 VAL A O 848 C CB . VAL A 110 ? 0.2466 0.4532 0.3527 -0.0697 -0.0292 0.1300 115 VAL A CB 849 C CG1 . VAL A 110 ? 0.2276 0.4156 0.3276 -0.0705 -0.0209 0.1283 115 VAL A CG1 850 C CG2 . VAL A 110 ? 0.2704 0.4857 0.3789 -0.0808 -0.0341 0.1262 115 VAL A CG2 851 N N . LYS A 111 ? 0.7036 0.9325 0.8140 -0.0526 -0.0441 0.1384 116 LYS A N 852 C CA . LYS A 111 ? 0.6429 0.8929 0.7640 -0.0493 -0.0532 0.1395 116 LYS A CA 853 C C . LYS A 111 ? 0.6103 0.8820 0.7526 -0.0544 -0.0520 0.1365 116 LYS A C 854 O O . LYS A 111 ? 0.7053 0.9960 0.8575 -0.0587 -0.0594 0.1348 116 LYS A O 855 C CB . LYS A 111 ? 0.6478 0.8981 0.7698 -0.0356 -0.0552 0.1447 116 LYS A CB 856 C CG . LYS A 111 ? 0.7150 0.9868 0.8479 -0.0303 -0.0659 0.1458 116 LYS A CG 857 C CD . LYS A 111 ? 0.7782 1.0506 0.9148 -0.0157 -0.0671 0.1504 116 LYS A CD 858 C CE . LYS A 111 ? 0.8264 1.0964 0.9514 -0.0086 -0.0783 0.1543 116 LYS A CE 859 N NZ . LYS A 111 ? 0.8056 1.0951 0.9369 -0.0136 -0.0891 0.1514 116 LYS A NZ 860 N N . HIS A 112 A 0.4430 0.7119 0.5921 -0.0543 -0.0425 0.1357 116 HIS A N 861 C CA . HIS A 112 A 0.5423 0.8302 0.7097 -0.0597 -0.0391 0.1332 116 HIS A CA 862 C C . HIS A 112 A 0.5837 0.8579 0.7477 -0.0650 -0.0288 0.1312 116 HIS A C 863 O O . HIS A 112 A 0.3989 0.6568 0.5557 -0.0586 -0.0230 0.1326 116 HIS A O 864 C CB . HIS A 112 A 0.6602 0.9685 0.8455 -0.0491 -0.0394 0.1349 116 HIS A CB 865 C CG . HIS A 112 A 0.7258 1.0606 0.9324 -0.0549 -0.0378 0.1323 116 HIS A CG 866 N ND1 . HIS A 112 A 0.6925 1.0315 0.9081 -0.0556 -0.0278 0.1310 116 HIS A ND1 867 C CD2 . HIS A 112 A 0.8242 1.1831 1.0448 -0.0610 -0.0448 0.1305 116 HIS A CD2 868 C CE1 . HIS A 112 A 0.7993 1.1643 1.0336 -0.0620 -0.0277 0.1290 116 HIS A CE1 869 N NE2 . HIS A 112 A 0.8663 1.2444 1.1050 -0.0657 -0.0381 0.1286 116 HIS A NE2 870 N N . PHE A 113 B 0.6912 0.9712 0.8597 -0.0769 -0.0272 0.1281 116 PHE A N 871 C CA . PHE A 113 B 0.5557 0.8222 0.7195 -0.0826 -0.0186 0.1262 116 PHE A CA 872 C C . PHE A 113 B 0.6632 0.9475 0.8412 -0.0915 -0.0153 0.1245 116 PHE A C 873 O O . PHE A 113 B 0.7318 1.0246 0.9127 -0.1024 -0.0199 0.1228 116 PHE A O 874 C CB . PHE A 113 B 0.3929 0.6365 0.5383 -0.0900 -0.0199 0.1239 116 PHE A CB 875 C CG . PHE A 113 B 0.4559 0.6812 0.5936 -0.0931 -0.0122 0.1222 116 PHE A CG 876 C CD1 . PHE A 113 B 0.5588 0.7668 0.6884 -0.0851 -0.0076 0.1230 116 PHE A CD1 877 C CD2 . PHE A 113 B 0.4623 0.6868 0.6003 -0.1043 -0.0100 0.1197 116 PHE A CD2 878 C CE1 . PHE A 113 B 0.5416 0.7329 0.6643 -0.0874 -0.0017 0.1209 116 PHE A CE1 879 C CE2 . PHE A 113 B 0.4076 0.6137 0.5368 -0.1064 -0.0039 0.1182 116 PHE A CE2 880 C CZ . PHE A 113 B 0.4433 0.6332 0.5652 -0.0976 -0.0001 0.1186 116 PHE A CZ 881 N N . GLU A 114 C 0.7321 1.0217 0.9184 -0.0870 -0.0071 0.1250 116 GLU A N 882 C CA . GLU A 114 C 0.7049 1.0141 0.9058 -0.0943 -0.0022 0.1240 116 GLU A CA 883 C C . GLU A 114 C 0.6850 0.9814 0.8803 -0.0952 0.0082 0.1234 116 GLU A C 884 O O . GLU A 114 C 0.6688 0.9592 0.8629 -0.0842 0.0131 0.1242 116 GLU A O 885 C CB . GLU A 114 C 0.7090 1.0481 0.9312 -0.0861 -0.0034 0.1250 116 GLU A CB 886 C CG . GLU A 114 C 0.7725 1.1367 1.0129 -0.0934 0.0024 0.1238 116 GLU A CG 887 C CD . GLU A 114 C 0.8104 1.2058 1.0735 -0.0835 0.0011 0.1240 116 GLU A CD 888 O OE1 . GLU A 114 C 0.7821 1.1784 1.0457 -0.0715 -0.0059 0.1253 116 GLU A OE1 889 O OE2 . GLU A 114 C 0.7916 1.2020 1.0658 -0.0859 0.0071 0.1206 116 GLU A OE2 890 N N . LYS A 115 ? 0.5951 0.8853 0.7852 -0.1084 0.0111 0.1219 117 LYS A N 891 C CA . LYS A 115 ? 0.5300 0.8032 0.7099 -0.1088 0.0199 0.1200 117 LYS A CA 892 C C . LYS A 115 ? 0.4643 0.7567 0.6574 -0.1066 0.0275 0.1189 117 LYS A C 893 O O . LYS A 115 ? 0.5029 0.8111 0.7053 -0.1134 0.0271 0.1167 117 LYS A O 894 C CB . LYS A 115 ? 0.5368 0.7874 0.6997 -0.1204 0.0190 0.1163 117 LYS A CB 895 C CG . LYS A 115 ? 0.6057 0.8377 0.7567 -0.1210 0.0272 0.1145 117 LYS A CG 896 C CD . LYS A 115 ? 0.7617 0.9686 0.8946 -0.1306 0.0249 0.1114 117 LYS A CD 897 C CE . LYS A 115 ? 0.7641 0.9763 0.8986 -0.1414 0.0269 0.1093 117 LYS A CE 898 N NZ . LYS A 115 ? 0.6751 0.8608 0.7909 -0.1499 0.0248 0.1069 117 LYS A NZ 899 N N . VAL A 116 ? 0.4133 0.7047 0.6076 -0.0970 0.0345 0.1203 118 VAL A N 900 C CA . VAL A 116 ? 0.3940 0.7033 0.5999 -0.0935 0.0429 0.1192 118 VAL A CA 901 C C . VAL A 116 ? 0.4852 0.7759 0.6775 -0.0932 0.0520 0.1182 118 VAL A C 902 O O . VAL A 116 ? 0.5063 0.7740 0.6846 -0.0904 0.0518 0.1195 118 VAL A O 903 C CB . VAL A 116 ? 0.4751 0.8079 0.6992 -0.0793 0.0427 0.1218 118 VAL A CB 904 C CG1 . VAL A 116 ? 0.5645 0.9175 0.8025 -0.0792 0.0330 0.1226 118 VAL A CG1 905 C CG2 . VAL A 116 ? 0.3695 0.6789 0.5810 -0.0669 0.0420 0.1225 118 VAL A CG2 906 N N . LYS A 117 ? 0.5819 0.8830 0.7785 -0.0964 0.0601 0.1160 119 LYS A N 907 C CA . LYS A 117 ? 0.4788 0.7639 0.6619 -0.0968 0.0692 0.1153 119 LYS A CA 908 C C . LYS A 117 ? 0.4411 0.7330 0.6296 -0.0824 0.0751 0.1173 119 LYS A C 909 O O . LYS A 117 ? 0.3622 0.6801 0.5690 -0.0740 0.0770 0.1174 119 LYS A O 910 C CB . LYS A 117 ? 0.3482 0.6412 0.5327 -0.1065 0.0763 0.1126 119 LYS A CB 911 C CG . LYS A 117 ? 0.4319 0.7076 0.6002 -0.1082 0.0859 0.1122 119 LYS A CG 912 C CD . LYS A 117 ? 0.5550 0.8329 0.7213 -0.1205 0.0919 0.1103 119 LYS A CD 913 C CE . LYS A 117 ? 0.6968 0.9611 0.8560 -0.1327 0.0838 0.1095 119 LYS A CE 914 N NZ . LYS A 117 ? 0.7513 1.0158 0.9085 -0.1451 0.0894 0.1086 119 LYS A NZ 915 N N . ILE A 118 ? 0.4634 0.7315 0.6361 -0.0790 0.0774 0.1187 120 ILE A N 916 C CA . ILE A 118 ? 0.5575 0.8203 0.7286 -0.0631 0.0804 0.1172 120 ILE A CA 917 C C . ILE A 118 ? 0.5988 0.8485 0.7560 -0.0623 0.0898 0.1158 120 ILE A C 918 O O . ILE A 118 ? 0.5426 0.8034 0.7051 -0.0528 0.0968 0.1142 120 ILE A O 919 C CB . ILE A 118 ? 0.5566 0.7971 0.7192 -0.0547 0.0719 0.1171 120 ILE A CB 920 C CG1 . ILE A 118 ? 0.5457 0.7593 0.6908 -0.0642 0.0676 0.1171 120 ILE A CG1 921 C CG2 . ILE A 118 ? 0.5520 0.8084 0.7290 -0.0505 0.0641 0.1186 120 ILE A CG2 922 C CD1 . ILE A 118 ? 0.4925 0.6857 0.6302 -0.0573 0.0603 0.1168 120 ILE A CD1 923 N N . LEU A 119 ? 0.5535 0.7789 0.6919 -0.0718 0.0897 0.1160 121 LEU A N 924 C CA . LEU A 119 ? 0.6079 0.8178 0.7296 -0.0721 0.0976 0.1149 121 LEU A CA 925 C C . LEU A 119 ? 0.6846 0.8929 0.7985 -0.0889 0.1017 0.1168 121 LEU A C 926 O O . LEU A 119 ? 0.7194 0.9020 0.8161 -0.0961 0.0969 0.1168 121 LEU A O 927 C CB . LEU A 119 ? 0.5642 0.7405 0.6671 -0.0657 0.0926 0.1130 121 LEU A CB 928 C CG . LEU A 119 ? 0.4699 0.6421 0.5775 -0.0502 0.0882 0.1114 121 LEU A CG 929 C CD1 . LEU A 119 ? 0.4075 0.5473 0.4980 -0.0475 0.0823 0.1097 121 LEU A CD1 930 C CD2 . LEU A 119 ? 0.4745 0.6585 0.5872 -0.0384 0.0958 0.1095 121 LEU A CD2 931 N N . PRO A 120 ? 0.5798 0.8098 0.7037 -0.0933 0.1088 0.1152 122 PRO A N 932 C CA . PRO A 120 ? 0.5564 0.7815 0.6732 -0.1075 0.1112 0.1134 122 PRO A CA 933 C C . PRO A 120 ? 0.5956 0.7898 0.6856 -0.1130 0.1144 0.1141 122 PRO A C 934 O O . PRO A 120 ? 0.4380 0.6241 0.5174 -0.1060 0.1201 0.1154 122 PRO A O 935 C CB . PRO A 120 ? 0.5084 0.7628 0.6410 -0.1066 0.1214 0.1119 122 PRO A CB 936 C CG . PRO A 120 ? 0.4126 0.6918 0.5664 -0.0933 0.1193 0.1120 122 PRO A CG 937 C CD . PRO A 120 ? 0.4638 0.7246 0.6077 -0.0832 0.1153 0.1147 122 PRO A CD 938 N N . LYS A 121 ? 0.8135 0.9902 0.8924 -0.1246 0.1104 0.1134 123 LYS A N 939 C CA . LYS A 121 ? 0.7348 0.8793 0.7874 -0.1293 0.1110 0.1143 123 LYS A CA 940 C C . LYS A 121 ? 0.7058 0.8497 0.7477 -0.1292 0.1238 0.1155 123 LYS A C 941 O O . LYS A 121 ? 0.7622 0.8829 0.7825 -0.1269 0.1254 0.1168 123 LYS A O 942 C CB . LYS A 121 ? 0.6678 0.7977 0.7133 -0.1409 0.1050 0.1138 123 LYS A CB 943 C CG . LYS A 121 ? 0.6050 0.6991 0.6238 -0.1435 0.1015 0.1145 123 LYS A CG 944 C CD . LYS A 121 ? 0.7224 0.8038 0.7347 -0.1544 0.0959 0.1143 123 LYS A CD 945 C CE . LYS A 121 ? 0.8837 0.9733 0.9095 -0.1560 0.0858 0.1121 123 LYS A CE 946 N NZ . LYS A 121 ? 0.9601 1.0364 0.9814 -0.1482 0.0772 0.1107 123 LYS A NZ 947 N N . ASP A 122 ? 0.5897 0.7593 0.6465 -0.1317 0.1326 0.1148 125 ASP A N 948 C CA . ASP A 122 ? 0.6062 0.7769 0.6534 -0.1328 0.1459 0.1156 125 ASP A CA 949 C C . ASP A 122 ? 0.5400 0.7245 0.5900 -0.1200 0.1539 0.1150 125 ASP A C 950 O O . ASP A 122 ? 0.5810 0.7701 0.6243 -0.1192 0.1660 0.1149 125 ASP A O 951 C CB . ASP A 122 ? 0.7704 0.9622 0.8326 -0.1418 0.1526 0.1152 125 ASP A CB 952 C CG . ASP A 122 ? 0.8947 1.1208 0.9878 -0.1389 0.1498 0.1126 125 ASP A CG 953 O OD1 . ASP A 122 ? 0.8211 1.0732 0.9291 -0.1312 0.1577 0.1109 125 ASP A OD1 954 O OD2 . ASP A 122 ? 0.9999 1.2267 1.1016 -0.1436 0.1392 0.1122 125 ASP A OD2 955 N N . ARG A 123 ? 0.5230 0.7140 0.5829 -0.1091 0.1472 0.1150 126 ARG A N 956 C CA . ARG A 123 ? 0.5735 0.7770 0.6375 -0.0941 0.1538 0.1152 126 ARG A CA 957 C C . ARG A 123 ? 0.6245 0.7946 0.6593 -0.0883 0.1548 0.1145 126 ARG A C 958 O O . ARG A 123 ? 0.6865 0.8571 0.7164 -0.0762 0.1613 0.1115 126 ARG A O 959 C CB . ARG A 123 ? 0.7830 0.9980 0.8665 -0.0816 0.1449 0.1140 126 ARG A CB 960 C CG . ARG A 123 ? 0.9017 1.0847 0.9719 -0.0765 0.1323 0.1129 126 ARG A CG 961 C CD . ARG A 123 ? 0.8257 1.0175 0.9130 -0.0637 0.1243 0.1111 126 ARG A CD 962 N NE . ARG A 123 ? 0.8754 1.0722 0.9656 -0.0474 0.1288 0.1078 126 ARG A NE 963 C CZ . ARG A 123 ? 0.8353 1.0063 0.9078 -0.0377 0.1276 0.1049 126 ARG A CZ 964 N NH1 . ARG A 123 ? 0.7599 0.8998 0.8118 -0.0424 0.1220 0.1049 126 ARG A NH1 965 N NH2 . ARG A 123 ? 0.8218 0.9979 0.8973 -0.0229 0.1314 0.1016 126 ARG A NH2 966 N N . TRP A 124 ? 0.5939 0.7330 0.6085 -0.0960 0.1471 0.1159 127 TRP A N 967 C CA . TRP A 124 ? 0.7321 0.8360 0.7176 -0.0909 0.1456 0.1142 127 TRP A CA 968 C C . TRP A 124 ? 0.8407 0.9369 0.8051 -0.1007 0.1568 0.1168 127 TRP A C 969 O O . TRP A 124 ? 1.0087 1.0911 0.9603 -0.1151 0.1554 0.1204 127 TRP A O 970 C CB . TRP A 124 ? 0.7770 0.8510 0.7505 -0.0938 0.1317 0.1140 127 TRP A CB 971 C CG . TRP A 124 ? 0.7865 0.8697 0.7805 -0.0905 0.1213 0.1132 127 TRP A CG 972 C CD1 . TRP A 124 ? 0.8555 0.9516 0.8635 -0.1007 0.1169 0.1156 127 TRP A CD1 973 C CD2 . TRP A 124 ? 0.7017 0.7800 0.7026 -0.0763 0.1138 0.1097 127 TRP A CD2 974 N NE1 . TRP A 124 ? 0.7253 0.8252 0.7476 -0.0934 0.1076 0.1140 127 TRP A NE1 975 C CE2 . TRP A 124 ? 0.6469 0.7363 0.6655 -0.0788 0.1059 0.1106 127 TRP A CE2 976 C CE3 . TRP A 124 ? 0.6192 0.6843 0.6125 -0.0622 0.1129 0.1059 127 TRP A CE3 977 C CZ2 . TRP A 124 ? 0.5402 0.6279 0.5685 -0.0682 0.0981 0.1085 127 TRP A CZ2 978 C CZ3 . TRP A 124 ? 0.5430 0.6063 0.5471 -0.0521 0.1046 0.1036 127 TRP A CZ3 979 C CH2 . TRP A 124 ? 0.4892 0.5638 0.5105 -0.0553 0.0977 0.1052 127 TRP A CH2 980 N N . THR A 125 ? 0.7180 0.8217 0.6775 -0.0927 0.1681 0.1149 128 THR A N 981 C CA . THR A 125 ? 0.6807 0.7784 0.6191 -0.1012 0.1805 0.1174 128 THR A CA 982 C C . THR A 125 ? 0.7292 0.7857 0.6320 -0.0967 0.1768 0.1159 128 THR A C 983 O O . THR A 125 ? 0.8361 0.8784 0.7146 -0.1047 0.1847 0.1186 128 THR A O 984 C CB . THR A 125 ? 0.6016 0.7300 0.5516 -0.0949 0.1961 0.1158 128 THR A CB 985 O OG1 . THR A 125 ? 0.6703 0.7864 0.6096 -0.0767 0.1961 0.1104 128 THR A OG1 986 C CG2 . THR A 125 ? 0.4539 0.6234 0.4418 -0.0940 0.1970 0.1154 128 THR A CG2 987 N N . GLN A 126 ? 0.7128 0.7499 0.6125 -0.0841 0.1647 0.1117 129 GLN A N 988 C CA . GLN A 126 ? 0.6945 0.6939 0.5629 -0.0780 0.1595 0.1093 129 GLN A CA 989 C C . GLN A 126 ? 0.7916 0.7620 0.6491 -0.0832 0.1445 0.1100 129 GLN A C 990 O O . GLN A 126 ? 0.8267 0.7662 0.6626 -0.0767 0.1366 0.1071 129 GLN A O 991 C CB . GLN A 126 ? 0.6775 0.6739 0.5477 -0.0592 0.1572 0.1031 129 GLN A CB 992 C CG . GLN A 126 ? 0.7688 0.7905 0.6468 -0.0513 0.1715 0.1012 129 GLN A CG 993 C CD . GLN A 126 ? 0.7998 0.8155 0.6528 -0.0573 0.1852 0.1031 129 GLN A CD 994 O OE1 . GLN A 126 ? 0.8457 0.8874 0.7082 -0.0664 0.1982 0.1066 129 GLN A OE1 995 N NE2 . GLN A 126 ? 0.7563 0.7379 0.5771 -0.0523 0.1824 0.1009 129 GLN A NE2 996 N N . HIS A 127 ? 0.7950 0.7757 0.6677 -0.0943 0.1402 0.1133 130 HIS A N 997 C CA . HIS A 127 ? 0.7098 0.6653 0.5738 -0.0990 0.1263 0.1135 130 HIS A CA 998 C C . HIS A 127 ? 0.8274 0.7857 0.6914 -0.1166 0.1272 0.1188 130 HIS A C 999 O O . HIS A 127 ? 0.9911 0.9745 0.8683 -0.1229 0.1363 0.1213 130 HIS A O 1000 C CB . HIS A 127 ? 0.6445 0.6057 0.5298 -0.0899 0.1151 0.1099 130 HIS A CB 1001 C CG . HIS A 127 ? 0.6678 0.6242 0.5536 -0.0734 0.1129 0.1048 130 HIS A CG 1002 N ND1 . HIS A 127 ? 0.6976 0.6779 0.5987 -0.0645 0.1210 0.1032 130 HIS A ND1 1003 C CD2 . HIS A 127 ? 0.6782 0.6082 0.5509 -0.0643 0.1032 0.1006 130 HIS A CD2 1004 C CE1 . HIS A 127 ? 0.7940 0.7610 0.6901 -0.0509 0.1163 0.0985 130 HIS A CE1 1005 N NE2 . HIS A 127 ? 0.7600 0.6972 0.6397 -0.0510 0.1056 0.0968 130 HIS A NE2 1006 N N . THR A 128 ? 0.7101 0.6448 0.5652 -0.1199 0.1145 0.1184 131 THR A N 1007 C CA . THR A 128 ? 0.7566 0.6934 0.6182 -0.1296 0.1097 0.1197 131 THR A CA 1008 C C . THR A 128 ? 0.8330 0.7847 0.7192 -0.1307 0.1021 0.1185 131 THR A C 1009 O O . THR A 128 ? 0.8161 0.7525 0.7001 -0.1270 0.0913 0.1162 131 THR A O 1010 C CB . THR A 128 ? 0.7754 0.6761 0.6106 -0.1317 0.1002 0.1188 131 THR A CB 1011 O OG1 . THR A 128 ? 0.8498 0.7353 0.6602 -0.1304 0.1067 0.1199 131 THR A OG1 1012 C CG2 . THR A 128 ? 0.7548 0.6564 0.5951 -0.1418 0.0962 0.1199 131 THR A CG2 1013 N N . THR A 129 ? 0.9422 0.9234 0.8514 -0.1356 0.1077 0.1196 132 THR A N 1014 C CA . THR A 129 ? 0.8063 0.8029 0.7382 -0.1368 0.1011 0.1180 132 THR A CA 1015 C C . THR A 129 ? 0.7672 0.7473 0.6927 -0.1443 0.0918 0.1170 132 THR A C 1016 O O . THR A 129 ? 0.8125 0.7942 0.7482 -0.1444 0.0831 0.1148 132 THR A O 1017 C CB . THR A 129 ? 0.8095 0.8420 0.7667 -0.1391 0.1095 0.1185 132 THR A CB 1018 O OG1 . THR A 129 ? 0.9886 1.0242 0.9484 -0.1496 0.1104 0.1192 132 THR A OG1 1019 C CG2 . THR A 129 ? 0.7059 0.7530 0.6632 -0.1344 0.1226 0.1199 132 THR A CG2 1020 N N . THR A 130 ? 0.8338 0.7979 0.7413 -0.1505 0.0937 0.1186 133 THR A N 1021 C CA . THR A 130 ? 0.8324 0.7773 0.7297 -0.1576 0.0849 0.1177 133 THR A CA 1022 C C . THR A 130 ? 0.9030 0.8214 0.7867 -0.1516 0.0729 0.1145 133 THR A C 1023 O O . THR A 130 ? 0.9474 0.8593 0.8264 -0.1429 0.0722 0.1136 133 THR A O 1024 C CB . THR A 130 ? 0.8600 0.7900 0.7371 -0.1648 0.0897 0.1205 133 THR A CB 1025 O OG1 . THR A 130 ? 1.0114 0.9637 0.8965 -0.1665 0.1035 0.1236 133 THR A OG1 1026 C CG2 . THR A 130 ? 0.8175 0.7396 0.6922 -0.1753 0.0840 0.1204 133 THR A CG2 1027 N N . GLY A 131 ? 0.7528 0.6557 0.6304 -0.1559 0.0633 0.1125 134 GLY A N 1028 C CA . GLY A 131 ? 0.7841 0.6611 0.6481 -0.1501 0.0520 0.1090 134 GLY A CA 1029 C C . GLY A 131 ? 0.7221 0.6025 0.5986 -0.1492 0.0429 0.1056 134 GLY A C 1030 O O . GLY A 131 ? 0.8039 0.7086 0.7018 -0.1491 0.0451 0.1057 134 GLY A O 1031 N N . GLY A 132 ? 0.5672 0.4222 0.4287 -0.1483 0.0326 0.1025 135 GLY A N 1032 C CA . GLY A 132 ? 0.5431 0.3973 0.4123 -0.1476 0.0236 0.0989 135 GLY A CA 1033 C C . GLY A 132 ? 0.7176 0.5408 0.5656 -0.1474 0.0134 0.0957 135 GLY A C 1034 O O . GLY A 132 ? 0.8955 0.6981 0.7235 -0.1466 0.0127 0.0962 135 GLY A O 1035 N N . SER A 133 ? 0.6548 0.4740 0.5059 -0.1479 0.0051 0.0924 136 SER A N 1036 C CA . SER A 133 ? 0.7683 0.5588 0.6000 -0.1472 -0.0052 0.0888 136 SER A CA 1037 C C . SER A 133 ? 0.9049 0.6964 0.7382 -0.1554 -0.0092 0.0879 136 SER A C 1038 O O . SER A 133 ? 0.8948 0.7095 0.7447 -0.1610 -0.0044 0.0898 136 SER A O 1039 C CB . SER A 133 ? 0.6979 0.4777 0.5299 -0.1364 -0.0133 0.0842 136 SER A CB 1040 O OG . SER A 133 ? 0.7201 0.5089 0.5651 -0.1361 -0.0176 0.0816 136 SER A OG 1041 N N . ARG A 134 ? 0.9329 0.6987 0.7483 -0.1557 -0.0186 0.0848 137 ARG A N 1042 C CA . ARG A 134 ? 0.9421 0.7052 0.7561 -0.1632 -0.0235 0.0836 137 ARG A CA 1043 C C . ARG A 134 ? 0.8575 0.6231 0.6809 -0.1579 -0.0305 0.0792 137 ARG A C 1044 O O . ARG A 134 ? 0.8664 0.6308 0.6898 -0.1632 -0.0351 0.0776 137 ARG A O 1045 C CB . ARG A 134 ? 1.0766 0.8104 0.8654 -0.1673 -0.0298 0.0829 137 ARG A CB 1046 C CG . ARG A 134 ? 1.1463 0.8526 0.9180 -0.1573 -0.0396 0.0784 137 ARG A CG 1047 C CD . ARG A 134 ? 1.2355 0.9140 0.9834 -0.1617 -0.0474 0.0773 137 ARG A CD 1048 N NE . ARG A 134 ? 1.3548 1.0082 1.0878 -0.1510 -0.0584 0.0720 137 ARG A NE 1049 C CZ . ARG A 134 ? 1.3647 0.9952 1.0815 -0.1507 -0.0684 0.0687 137 ARG A CZ 1050 N NH1 . ARG A 134 ? 1.3192 0.9472 1.0315 -0.1612 -0.0690 0.0704 137 ARG A NH1 1051 N NH2 . ARG A 134 ? 1.3353 0.9455 1.0406 -0.1393 -0.0784 0.0636 137 ARG A NH2 1052 N N . ALA A 135 ? 0.8067 0.5757 0.6379 -0.1479 -0.0311 0.0772 138 ALA A N 1053 C CA . ALA A 135 ? 0.9197 0.6955 0.7630 -0.1432 -0.0355 0.0737 138 ALA A CA 1054 C C . ALA A 135 ? 0.9475 0.7525 0.8106 -0.1491 -0.0294 0.0765 138 ALA A C 1055 O O . ALA A 135 ? 0.8703 0.6808 0.7404 -0.1500 -0.0332 0.0742 138 ALA A O 1056 C CB . ALA A 135 ? 0.7772 0.5519 0.6260 -0.1319 -0.0365 0.0716 138 ALA A CB 1057 N N . CYS A 136 ? 0.9531 0.7765 0.8249 -0.1528 -0.0200 0.0811 139 CYS A N 1058 C CA . CYS A 136 ? 0.9817 0.8332 0.8716 -0.1587 -0.0143 0.0837 139 CYS A CA 1059 C C . CYS A 136 ? 0.9775 0.8297 0.8619 -0.1692 -0.0110 0.0865 139 CYS A C 1060 O O . CYS A 136 ? 1.0645 0.9246 0.9507 -0.1709 -0.0030 0.0900 139 CYS A O 1061 C CB . CYS A 136 ? 0.9825 0.8570 0.8893 -0.1534 -0.0059 0.0865 139 CYS A CB 1062 S SG . CYS A 136 ? 1.3711 1.2416 1.2822 -0.1411 -0.0085 0.0842 139 CYS A SG 1063 N N . ALA A 137 ? 0.9103 0.7536 0.7878 -0.1765 -0.0171 0.0850 140 ALA A N 1064 C CA . ALA A 137 ? 0.8869 0.7250 0.7557 -0.1871 -0.0154 0.0873 140 ALA A CA 1065 C C . ALA A 137 ? 1.0245 0.8835 0.9071 -0.1969 -0.0139 0.0887 140 ALA A C 1066 O O . ALA A 137 ? 1.0868 0.9491 0.9741 -0.1980 -0.0199 0.0862 140 ALA A O 1067 C CB . ALA A 137 ? 0.7796 0.5845 0.6242 -0.1887 -0.0243 0.0848 140 ALA A CB 1068 N N . VAL A 138 ? 1.2168 1.0895 1.1054 -0.2039 -0.0059 0.0927 141 VAL A N 1069 C CA . VAL A 138 ? 1.2933 1.1847 1.1943 -0.2142 -0.0045 0.0941 141 VAL A CA 1070 C C . VAL A 138 ? 1.3373 1.2124 1.2235 -0.2256 -0.0052 0.0957 141 VAL A C 1071 O O . VAL A 138 ? 1.2753 1.1450 1.1541 -0.2278 0.0012 0.0988 141 VAL A O 1072 C CB . VAL A 138 ? 1.2743 1.1988 1.1981 -0.2137 0.0057 0.0971 141 VAL A CB 1073 C CG1 . VAL A 138 ? 1.2878 1.2296 1.2227 -0.2257 0.0078 0.0988 141 VAL A CG1 1074 C CG2 . VAL A 138 ? 1.2717 1.2137 1.2111 -0.2042 0.0051 0.0956 141 VAL A CG2 1075 N N . SER A 139 ? 1.3783 1.2449 1.2593 -0.2330 -0.0132 0.0938 142 SER A N 1076 C CA . SER A 139 ? 1.3813 1.2309 1.2477 -0.2447 -0.0153 0.0953 142 SER A CA 1077 C C . SER A 139 ? 1.3925 1.2102 1.2334 -0.2424 -0.0171 0.0956 142 SER A C 1078 O O . SER A 139 ? 1.5026 1.3111 1.3332 -0.2507 -0.0136 0.0989 142 SER A O 1079 C CB . SER A 139 ? 1.3299 1.2027 1.2109 -0.2550 -0.0060 0.0996 142 SER A CB 1080 O OG . SER A 139 ? 1.2364 1.1384 1.1406 -0.2569 -0.0055 0.0989 142 SER A OG 1081 N N . GLY A 140 ? 1.1156 0.9165 0.9464 -0.2311 -0.0227 0.0922 143 GLY A N 1082 C CA . GLY A 140 ? 1.0855 0.8555 0.8919 -0.2273 -0.0263 0.0918 143 GLY A CA 1083 C C . GLY A 140 ? 1.0960 0.8694 0.9019 -0.2216 -0.0178 0.0945 143 GLY A C 1084 O O . GLY A 140 ? 1.1141 0.8650 0.9028 -0.2145 -0.0213 0.0932 143 GLY A O 1085 N N . ASN A 141 ? 1.2025 1.0041 1.0272 -0.2244 -0.0070 0.0981 144 ASN A N 1086 C CA . ASN A 141 ? 1.1653 0.9728 0.9910 -0.2189 0.0019 0.1008 144 ASN A CA 1087 C C . ASN A 141 ? 1.2064 1.0212 1.0412 -0.2056 0.0013 0.0982 144 ASN A C 1088 O O . ASN A 141 ? 1.3353 1.1636 1.1848 -0.2022 -0.0019 0.0957 144 ASN A O 1089 C CB . ASN A 141 ? 1.0791 0.9150 0.9224 -0.2261 0.0139 0.1053 144 ASN A CB 1090 C CG . ASN A 141 ? 1.1707 0.9990 1.0042 -0.2396 0.0164 0.1086 144 ASN A CG 1091 O OD1 . ASN A 141 ? 1.2761 1.0751 1.0857 -0.2425 0.0114 0.1087 144 ASN A OD1 1092 N ND2 . ASN A 141 ? 1.1537 1.0083 1.0059 -0.2481 0.0241 0.1114 144 ASN A ND2 1093 N N . PRO A 142 ? 1.0590 0.8642 0.8845 -0.1982 0.0043 0.0990 145 PRO A N 1094 C CA . PRO A 142 ? 1.0322 0.8453 0.8671 -0.1862 0.0048 0.0971 145 PRO A CA 1095 C C . PRO A 142 ? 0.9529 0.8002 0.8128 -0.1856 0.0144 0.0996 145 PRO A C 1096 O O . PRO A 142 ? 0.9376 0.7985 0.8026 -0.1914 0.0236 0.1034 145 PRO A O 1097 C CB . PRO A 142 ? 1.0650 0.8581 0.8812 -0.1808 0.0059 0.0979 145 PRO A CB 1098 C CG . PRO A 142 ? 1.1005 0.8879 0.9050 -0.1908 0.0115 0.1020 145 PRO A CG 1099 C CD . PRO A 142 ? 1.1033 0.8878 0.9072 -0.2009 0.0067 0.1015 145 PRO A CD 1100 N N . SER A 143 ? 0.9846 0.8453 0.8597 -0.1785 0.0123 0.0973 146 SER A N 1101 C CA . SER A 143 ? 0.9778 0.8702 0.8763 -0.1769 0.0201 0.0992 146 SER A CA 1102 C C . SER A 143 ? 0.9853 0.8830 0.8923 -0.1656 0.0190 0.0975 146 SER A C 1103 O O . SER A 143 ? 1.1836 1.0611 1.0781 -0.1588 0.0143 0.0955 146 SER A O 1104 C CB . SER A 143 ? 0.9218 0.8327 0.8351 -0.1843 0.0186 0.0989 146 SER A CB 1105 O OG . SER A 143 ? 0.9491 0.8862 0.8784 -0.1887 0.0279 0.1020 146 SER A OG 1106 N N . PHE A 144 ? 0.6413 0.5658 0.5694 -0.1636 0.0227 0.0982 147 PHE A N 1107 C CA . PHE A 144 ? 0.5765 0.5084 0.5141 -0.1536 0.0226 0.0973 147 PHE A CA 1108 C C . PHE A 144 ? 0.6657 0.6234 0.6242 -0.1535 0.0226 0.0972 147 PHE A C 1109 O O . PHE A 144 ? 0.8102 0.7793 0.7751 -0.1611 0.0222 0.0975 147 PHE A O 1110 C CB . PHE A 144 ? 0.5825 0.5192 0.5204 -0.1485 0.0311 0.1000 147 PHE A CB 1111 C CG . PHE A 144 ? 0.5706 0.5052 0.5115 -0.1383 0.0297 0.0991 147 PHE A CG 1112 C CD1 . PHE A 144 ? 0.5838 0.4949 0.5125 -0.1336 0.0216 0.0961 147 PHE A CD1 1113 C CD2 . PHE A 144 ? 0.4185 0.3743 0.3746 -0.1334 0.0361 0.1012 147 PHE A CD2 1114 C CE1 . PHE A 144 ? 0.5451 0.4543 0.4777 -0.1249 0.0201 0.0953 147 PHE A CE1 1115 C CE2 . PHE A 144 ? 0.4476 0.4006 0.4063 -0.1248 0.0344 0.1008 147 PHE A CE2 1116 C CZ . PHE A 144 ? 0.5761 0.5058 0.5234 -0.1209 0.0265 0.0980 147 PHE A CZ 1117 N N . PHE A 145 ? 0.6033 0.5695 0.5716 -0.1451 0.0224 0.0968 148 PHE A N 1118 C CA . PHE A 145 ? 0.5617 0.5526 0.5491 -0.1437 0.0225 0.0973 148 PHE A CA 1119 C C . PHE A 145 ? 0.6617 0.6768 0.6622 -0.1471 0.0302 0.1000 148 PHE A C 1120 O O . PHE A 145 ? 0.8767 0.8949 0.8767 -0.1452 0.0377 0.1020 148 PHE A O 1121 C CB . PHE A 145 ? 0.5660 0.5607 0.5606 -0.1337 0.0223 0.0973 148 PHE A CB 1122 C CG . PHE A 145 ? 0.5808 0.5543 0.5654 -0.1300 0.0151 0.0944 148 PHE A CG 1123 C CD1 . PHE A 145 ? 0.5655 0.5389 0.5525 -0.1311 0.0087 0.0923 148 PHE A CD1 1124 C CD2 . PHE A 145 ? 0.5460 0.4996 0.5187 -0.1255 0.0146 0.0937 148 PHE A CD2 1125 C CE1 . PHE A 145 ? 0.5998 0.5548 0.5787 -0.1276 0.0026 0.0894 148 PHE A CE1 1126 C CE2 . PHE A 145 ? 0.4953 0.4302 0.4604 -0.1218 0.0076 0.0906 148 PHE A CE2 1127 C CZ . PHE A 145 ? 0.5030 0.4392 0.4719 -0.1229 0.0019 0.0883 148 PHE A CZ 1128 N N . ARG A 146 ? 0.4919 0.5243 0.5040 -0.1522 0.0281 0.0999 149 ARG A N 1129 C CA . ARG A 146 ? 0.4926 0.5487 0.5182 -0.1567 0.0342 0.1019 149 ARG A CA 1130 C C . ARG A 146 ? 0.5098 0.5872 0.5502 -0.1486 0.0406 0.1038 149 ARG A C 1131 O O . ARG A 146 ? 0.6707 0.7600 0.7163 -0.1497 0.0487 0.1055 149 ARG A O 1132 C CB . ARG A 146 ? 0.3022 0.3714 0.3369 -0.1639 0.0287 0.1011 149 ARG A CB 1133 C CG . ARG A 146 ? 0.7346 0.7829 0.7544 -0.1722 0.0216 0.0991 149 ARG A CG 1134 C CD . ARG A 146 ? 0.7966 0.8592 0.8256 -0.1805 0.0167 0.0987 149 ARG A CD 1135 N NE . ARG A 146 ? 0.8303 0.9136 0.8746 -0.1753 0.0140 0.0990 149 ARG A NE 1136 C CZ . ARG A 146 ? 0.8102 0.8888 0.8519 -0.1740 0.0062 0.0976 149 ARG A CZ 1137 N NH1 . ARG A 146 ? 0.7014 0.7557 0.7265 -0.1773 0.0002 0.0951 149 ARG A NH1 1138 N NH2 . ARG A 146 ? 0.8484 0.9465 0.9035 -0.1694 0.0043 0.0987 149 ARG A NH2 1139 N N . ASN A 147 ? 0.3613 0.4435 0.4083 -0.1406 0.0372 0.1038 150 ASN A N 1140 C CA . ASN A 147 ? 0.4031 0.5052 0.4644 -0.1324 0.0420 0.1060 150 ASN A CA 1141 C C . ASN A 147 ? 0.4650 0.5544 0.5187 -0.1245 0.0459 0.1069 150 ASN A C 1142 O O . ASN A 147 ? 0.4969 0.5977 0.5603 -0.1161 0.0481 0.1089 150 ASN A O 1143 C CB . ASN A 147 ? 0.5283 0.6443 0.6020 -0.1279 0.0363 0.1066 150 ASN A CB 1144 C CG . ASN A 147 ? 0.6982 0.8219 0.7759 -0.1360 0.0303 0.1056 150 ASN A CG 1145 O OD1 . ASN A 147 ? 0.7592 0.9018 0.8477 -0.1411 0.0321 0.1061 150 ASN A OD1 1146 N ND2 . ASN A 147 ? 0.7201 0.8297 0.7893 -0.1375 0.0230 0.1039 150 ASN A ND2 1147 N N . MET A 148 ? 0.4901 0.5552 0.5258 -0.1271 0.0461 0.1059 151 MET A N 1148 C CA . MET A 148 ? 0.5373 0.5877 0.5635 -0.1205 0.0486 0.1067 151 MET A CA 1149 C C . MET A 148 ? 0.5303 0.5708 0.5433 -0.1244 0.0553 0.1077 151 MET A C 1150 O O . MET A 148 ? 0.6402 0.6765 0.6469 -0.1327 0.0561 0.1071 151 MET A O 1151 C CB . MET A 148 ? 0.6839 0.7107 0.6990 -0.1180 0.0407 0.1045 151 MET A CB 1152 C CG . MET A 148 ? 0.7706 0.8052 0.7967 -0.1143 0.0348 0.1037 151 MET A CG 1153 S SD . MET A 148 ? 0.5351 0.5885 0.5782 -0.1038 0.0379 0.1070 151 MET A SD 1154 C CE . MET A 148 ? 0.9083 0.9380 0.9393 -0.0946 0.0380 0.1042 151 MET A CE 1155 N N . VAL A 149 ? 0.5031 0.5392 0.5110 -0.1183 0.0601 0.1096 152 VAL A N 1156 C CA . VAL A 149 ? 0.3988 0.4239 0.3912 -0.1211 0.0669 0.1109 152 VAL A CA 1157 C C . VAL A 149 ? 0.5765 0.5730 0.5492 -0.1169 0.0634 0.1106 152 VAL A C 1158 O O . VAL A 149 ? 0.6157 0.6099 0.5925 -0.1053 0.0609 0.1080 152 VAL A O 1159 C CB . VAL A 149 ? 0.3625 0.4110 0.3651 -0.1181 0.0778 0.1135 152 VAL A CB 1160 C CG1 . VAL A 149 ? 0.4804 0.5172 0.4650 -0.1216 0.0858 0.1147 152 VAL A CG1 1161 C CG2 . VAL A 149 ? 0.3899 0.4678 0.4138 -0.1213 0.0802 0.1130 152 VAL A CG2 1162 N N . TRP A 150 ? 0.6362 0.6092 0.5887 -0.1216 0.0617 0.1095 153 TRP A N 1163 C CA . TRP A 150 ? 0.4727 0.4155 0.4039 -0.1177 0.0568 0.1083 153 TRP A CA 1164 C C . TRP A 150 ? 0.4331 0.3689 0.3495 -0.1153 0.0649 0.1095 153 TRP A C 1165 O O . TRP A 150 ? 0.6492 0.5769 0.5517 -0.1219 0.0689 0.1111 153 TRP A O 1166 C CB . TRP A 150 ? 0.4743 0.3942 0.3915 -0.1219 0.0484 0.1055 153 TRP A CB 1167 C CG . TRP A 150 ? 0.4648 0.3537 0.3623 -0.1167 0.0407 0.1029 153 TRP A CG 1168 C CD1 . TRP A 150 ? 0.5303 0.4087 0.4205 -0.1078 0.0407 0.1016 153 TRP A CD1 1169 C CD2 . TRP A 150 ? 0.5173 0.3828 0.4017 -0.1176 0.0308 0.0995 153 TRP A CD2 1170 N NE1 . TRP A 150 ? 0.6128 0.4625 0.4862 -0.1040 0.0311 0.0981 153 TRP A NE1 1171 C CE2 . TRP A 150 ? 0.5676 0.4089 0.4368 -0.1101 0.0252 0.0971 153 TRP A CE2 1172 C CE3 . TRP A 150 ? 0.5331 0.3951 0.4165 -0.1237 0.0258 0.0979 153 TRP A CE3 1173 C CZ2 . TRP A 150 ? 0.5374 0.3534 0.3924 -0.1080 0.0146 0.0930 153 TRP A CZ2 1174 C CZ3 . TRP A 150 ? 0.4850 0.3206 0.3526 -0.1220 0.0158 0.0942 153 TRP A CZ3 1175 C CH2 . TRP A 150 ? 0.5007 0.3145 0.3550 -0.1139 0.0103 0.0917 153 TRP A CH2 1176 N N . LEU A 151 ? 0.3571 0.2963 0.2783 -0.1028 0.0663 0.1068 154 LEU A N 1177 C CA . LEU A 151 ? 0.4528 0.3858 0.3602 -0.0982 0.0737 0.1068 154 LEU A CA 1178 C C . LEU A 151 ? 0.5181 0.4161 0.3980 -0.0961 0.0678 0.1048 154 LEU A C 1179 O O . LEU A 151 ? 0.6541 0.5370 0.5325 -0.0880 0.0582 0.1005 154 LEU A O 1180 C CB . LEU A 151 ? 0.3592 0.3065 0.2807 -0.0849 0.0764 0.1041 154 LEU A CB 1181 C CG . LEU A 151 ? 0.3448 0.3266 0.2898 -0.0844 0.0846 0.1062 154 LEU A CG 1182 C CD1 . LEU A 151 ? 0.7253 0.7203 0.6671 -0.0951 0.0955 0.1103 154 LEU A CD1 1183 C CD2 . LEU A 151 ? 0.6562 0.6539 0.6227 -0.0861 0.0786 0.1066 154 LEU A CD2 1184 N N . THR A 152 ? 0.4831 0.3684 0.3413 -0.1036 0.0734 0.1078 155 THR A N 1185 C CA . THR A 152 ? 0.6731 0.5244 0.5021 -0.1009 0.0684 0.1062 155 THR A CA 1186 C C . THR A 152 ? 0.8458 0.6955 0.6598 -0.0973 0.0788 0.1070 155 THR A C 1187 O O . THR A 152 ? 0.8257 0.7014 0.6543 -0.0955 0.0893 0.1080 155 THR A O 1188 C CB . THR A 152 ? 0.7309 0.5627 0.5432 -0.1111 0.0633 0.1081 155 THR A CB 1189 O OG1 . THR A 152 ? 0.7444 0.5806 0.5471 -0.1177 0.0728 0.1112 155 THR A OG1 1190 C CG2 . THR A 152 ? 0.4427 0.2888 0.2758 -0.1165 0.0578 0.1076 155 THR A CG2 1191 N N . LYS A 153 ? 1.0400 0.8589 0.8242 -0.0957 0.0756 0.1063 156 LYS A N 1192 C CA . LYS A 153 ? 0.9669 0.7804 0.7327 -0.0914 0.0849 0.1065 156 LYS A CA 1193 C C . LYS A 153 ? 0.9535 0.7759 0.7099 -0.1040 0.0988 0.1127 156 LYS A C 1194 O O . LYS A 153 ? 0.9575 0.7815 0.7173 -0.1130 0.0953 0.1143 156 LYS A O 1195 C CB . LYS A 153 ? 0.9317 0.7078 0.6675 -0.0845 0.0756 0.1032 156 LYS A CB 1196 C CG . LYS A 153 ? 0.9317 0.6811 0.6423 -0.0935 0.0704 0.1059 156 LYS A CG 1197 C CD . LYS A 153 ? 1.0173 0.7309 0.6983 -0.0850 0.0607 0.1022 156 LYS A CD 1198 C CE . LYS A 153 ? 1.1550 0.8482 0.8167 -0.0907 0.0544 0.1020 156 LYS A CE 1199 N NZ . LYS A 153 ? 1.2011 0.8602 0.8342 -0.0819 0.0442 0.0979 156 LYS A NZ 1200 N N . LYS A 154 ? 0.9540 0.7897 0.7081 -0.1002 0.1117 0.1129 157 LYS A N 1201 C CA . LYS A 154 ? 1.0004 0.8497 0.7504 -0.1088 0.1242 0.1168 157 LYS A CA 1202 C C . LYS A 154 ? 0.9914 0.8234 0.7121 -0.1030 0.1313 0.1159 157 LYS A C 1203 O O . LYS A 154 ? 1.0629 0.8958 0.7807 -0.0917 0.1360 0.1127 157 LYS A O 1204 C CB . LYS A 154 ? 0.9822 0.8738 0.7631 -0.1120 0.1362 0.1187 157 LYS A CB 1205 C CG . LYS A 154 ? 1.0065 0.9160 0.7848 -0.1155 0.1513 0.1211 157 LYS A CG 1206 C CD . LYS A 154 ? 0.9030 0.8561 0.7152 -0.1191 0.1611 0.1228 157 LYS A CD 1207 C CE . LYS A 154 ? 0.8875 0.8517 0.7171 -0.1309 0.1563 0.1261 157 LYS A CE 1208 N NZ . LYS A 154 ? 0.8673 0.8721 0.7275 -0.1343 0.1667 0.1278 157 LYS A NZ 1209 N N . GLY A 155 ? 0.8546 0.6714 0.5553 -0.1094 0.1310 0.1178 158 GLY A N 1210 C CA . GLY A 155 ? 0.9261 0.7240 0.5963 -0.1046 0.1367 0.1169 158 GLY A CA 1211 C C . GLY A 155 ? 1.0127 0.7727 0.6569 -0.0938 0.1243 0.1125 158 GLY A C 1212 O O . GLY A 155 ? 0.9932 0.7406 0.6167 -0.0845 0.1285 0.1099 158 GLY A O 1213 N N . SER A 156 ? 1.0846 0.8272 0.7304 -0.0945 0.1085 0.1111 159 SER A N 1214 C CA . SER A 156 ? 1.1760 0.8858 0.8033 -0.0840 0.0941 0.1065 159 SER A CA 1215 C C . SER A 156 ? 1.2179 0.9329 0.8524 -0.0705 0.0949 0.1022 159 SER A C 1216 O O . SER A 156 ? 1.2621 0.9550 0.8774 -0.0596 0.0885 0.0973 159 SER A O 1217 C CB . SER A 156 ? 1.2614 0.9390 0.8533 -0.0825 0.0895 0.1052 159 SER A CB 1218 O OG . SER A 156 ? 1.3081 0.9704 0.8954 -0.0894 0.0785 0.1056 159 SER A OG 1219 N N . ASP A 157 ? 1.2842 1.0341 0.9544 -0.0694 0.0998 0.1015 160 ASP A N 1220 C CA . ASP A 157 ? 1.2530 1.0163 0.9419 -0.0551 0.0980 0.0952 160 ASP A CA 1221 C C . ASP A 157 ? 1.1360 0.9308 0.8645 -0.0559 0.0971 0.0952 160 ASP A C 1222 O O . ASP A 157 ? 1.0946 0.9143 0.8389 -0.0654 0.1064 0.0999 160 ASP A O 1223 C CB . ASP A 157 ? 1.2840 1.0572 0.9640 -0.0492 0.1125 0.0943 160 ASP A CB 1224 C CG . ASP A 157 ? 1.3782 1.1423 1.0560 -0.0328 0.1066 0.0868 160 ASP A CG 1225 O OD1 . ASP A 157 ? 1.4719 1.2061 1.1322 -0.0274 0.0930 0.0830 160 ASP A OD1 1226 O OD2 . ASP A 157 ? 1.3411 1.1277 1.0350 -0.0251 0.1148 0.0843 160 ASP A OD2 1227 N N . TYR A 158 ? 0.8834 0.6767 0.6273 -0.0462 0.0857 0.0900 161 TYR A N 1228 C CA . TYR A 158 ? 0.6949 0.5159 0.4741 -0.0452 0.0846 0.0897 161 TYR A CA 1229 C C . TYR A 158 ? 0.7493 0.5808 0.5404 -0.0317 0.0863 0.0850 161 TYR A C 1230 O O . TYR A 158 ? 0.7517 0.5709 0.5460 -0.0231 0.0755 0.0800 161 TYR A O 1231 C CB . TYR A 158 ? 0.7222 0.5332 0.5109 -0.0465 0.0699 0.0881 161 TYR A CB 1232 C CG . TYR A 158 ? 0.7363 0.5741 0.5575 -0.0494 0.0691 0.0894 161 TYR A CG 1233 C CD1 . TYR A 158 ? 0.8428 0.6790 0.6700 -0.0580 0.0625 0.0913 161 TYR A CD1 1234 C CD2 . TYR A 158 ? 0.7012 0.5640 0.5454 -0.0428 0.0742 0.0885 161 TYR A CD2 1235 C CE1 . TYR A 158 ? 0.8387 0.6978 0.6932 -0.0604 0.0615 0.0924 161 TYR A CE1 1236 C CE2 . TYR A 158 ? 0.7281 0.6134 0.5995 -0.0452 0.0728 0.0899 161 TYR A CE2 1237 C CZ . TYR A 158 ? 0.7382 0.6217 0.6142 -0.0542 0.0666 0.0919 161 TYR A CZ 1238 O OH . TYR A 158 ? 0.6971 0.6018 0.5979 -0.0563 0.0651 0.0932 161 TYR A OH 1239 N N . PRO A 159 ? 0.8885 0.7426 0.6864 -0.0300 0.0999 0.0862 162 PRO A N 1240 C CA . PRO A 159 ? 0.8222 0.6880 0.6332 -0.0168 0.1019 0.0818 162 PRO A CA 1241 C C . PRO A 159 ? 0.8141 0.7012 0.6577 -0.0159 0.0971 0.0822 162 PRO A C 1242 O O . PRO A 159 ? 0.8101 0.7119 0.6673 -0.0261 0.0978 0.0866 162 PRO A O 1243 C CB . PRO A 159 ? 0.7823 0.6685 0.5916 -0.0170 0.1186 0.0837 162 PRO A CB 1244 C CG . PRO A 159 ? 0.7462 0.6461 0.5596 -0.0325 0.1249 0.0902 162 PRO A CG 1245 C CD . PRO A 159 ? 0.8512 0.7225 0.6470 -0.0404 0.1140 0.0917 162 PRO A CD 1246 N N . VAL A 160 ? 0.8128 0.6997 0.6670 -0.0043 0.0920 0.0779 163 VAL A N 1247 C CA . VAL A 160 ? 0.6990 0.6023 0.5813 -0.0029 0.0867 0.0783 163 VAL A CA 1248 C C . VAL A 160 ? 0.6852 0.6218 0.5889 -0.0085 0.0957 0.0830 163 VAL A C 1249 O O . VAL A 160 ? 0.7149 0.6693 0.6223 -0.0047 0.1064 0.0832 163 VAL A O 1250 C CB . VAL A 160 ? 0.5450 0.4439 0.4338 0.0107 0.0822 0.0734 163 VAL A CB 1251 C CG1 . VAL A 160 ? 0.5477 0.4487 0.4258 0.0201 0.0917 0.0707 163 VAL A CG1 1252 C CG2 . VAL A 160 ? 0.5872 0.5067 0.5044 0.0121 0.0798 0.0751 163 VAL A CG2 1253 N N . ALA A 161 ? 0.5610 0.5060 0.4786 -0.0174 0.0910 0.0863 164 ALA A N 1254 C CA . ALA A 161 ? 0.4919 0.4673 0.4303 -0.0235 0.0972 0.0905 164 ALA A CA 1255 C C . ALA A 161 ? 0.5312 0.5235 0.4932 -0.0152 0.0943 0.0897 164 ALA A C 1256 O O . ALA A 161 ? 0.4385 0.4214 0.4065 -0.0129 0.0846 0.0886 164 ALA A O 1257 C CB . ALA A 161 ? 0.4380 0.4127 0.3778 -0.0371 0.0931 0.0941 164 ALA A CB 1258 N N . LYS A 162 ? 0.5541 0.5713 0.5293 -0.0107 0.1029 0.0904 165 LYS A N 1259 C CA . LYS A 162 ? 0.5075 0.5410 0.5043 -0.0028 0.1001 0.0903 165 LYS A CA 1260 C C . LYS A 162 ? 0.5901 0.6540 0.6075 -0.0099 0.1036 0.0945 165 LYS A C 1261 O O . LYS A 162 ? 0.7086 0.7844 0.7248 -0.0197 0.1105 0.0969 165 LYS A O 1262 C CB . LYS A 162 ? 0.5353 0.5712 0.5318 0.0118 0.1046 0.0866 165 LYS A CB 1263 C CG . LYS A 162 ? 0.7685 0.7738 0.7443 0.0193 0.1004 0.0818 165 LYS A CG 1264 C CD . LYS A 162 ? 0.9238 0.9285 0.9026 0.0347 0.1009 0.0778 165 LYS A CD 1265 C CE . LYS A 162 ? 1.0610 1.0359 1.0169 0.0417 0.0979 0.0726 165 LYS A CE 1266 N NZ . LYS A 162 ? 1.0987 1.0714 1.0353 0.0412 0.1080 0.0711 165 LYS A NZ 1267 N N . GLY A 163 ? 0.5886 0.6642 0.6243 -0.0053 0.0983 0.0953 166 GLY A N 1268 C CA . GLY A 163 ? 0.5472 0.6514 0.6031 -0.0105 0.0997 0.0988 166 GLY A CA 1269 C C . GLY A 163 ? 0.5374 0.6494 0.6092 -0.0015 0.0935 0.0991 166 GLY A C 1270 O O . GLY A 163 ? 0.6014 0.6943 0.6692 0.0022 0.0856 0.0983 166 GLY A O 1271 N N . SER A 164 ? 0.5731 0.7131 0.6631 0.0021 0.0969 0.1003 167 SER A N 1272 C CA . SER A 164 ? 0.5759 0.7232 0.6800 0.0104 0.0904 0.1013 167 SER A CA 1273 C C . SER A 164 ? 0.5619 0.7400 0.6859 0.0060 0.0907 0.1043 167 SER A C 1274 O O . SER A 164 ? 0.4811 0.6801 0.6116 0.0001 0.0979 0.1047 167 SER A O 1275 C CB . SER A 164 ? 0.6287 0.7728 0.7329 0.0268 0.0918 0.0982 167 SER A CB 1276 O OG . SER A 164 ? 0.8480 1.0202 0.9661 0.0329 0.0988 0.0974 167 SER A OG 1277 N N . TYR A 165 ? 0.5267 0.7072 0.6599 0.0087 0.0825 0.1064 168 TYR A N 1278 C CA . TYR A 165 ? 0.5598 0.7682 0.7117 0.0067 0.0807 0.1089 168 TYR A CA 1279 C C . TYR A 165 ? 0.6256 0.8363 0.7861 0.0193 0.0742 0.1098 168 TYR A C 1280 O O . TYR A 165 ? 0.6279 0.8199 0.7821 0.0202 0.0670 0.1114 168 TYR A O 1281 C CB . TYR A 165 ? 0.6026 0.8116 0.7545 -0.0080 0.0761 0.1117 168 TYR A CB 1282 C CG . TYR A 165 ? 0.6971 0.9336 0.8674 -0.0103 0.0727 0.1140 168 TYR A CG 1283 C CD1 . TYR A 165 ? 0.7097 0.9745 0.8936 -0.0150 0.0785 0.1138 168 TYR A CD1 1284 C CD2 . TYR A 165 ? 0.6954 0.9298 0.8694 -0.0078 0.0636 0.1163 168 TYR A CD2 1285 C CE1 . TYR A 165 ? 0.6897 0.9805 0.8916 -0.0171 0.0743 0.1154 168 TYR A CE1 1286 C CE2 . TYR A 165 ? 0.5766 0.8352 0.7662 -0.0094 0.0594 0.1181 168 TYR A CE2 1287 C CZ . TYR A 165 ? 0.6296 0.9166 0.8336 -0.0139 0.0643 0.1175 168 TYR A CZ 1288 O OH . TYR A 165 ? 0.7263 1.0381 0.9468 -0.0155 0.0591 0.1189 168 TYR A OH 1289 N N . ASN A 166 ? 0.6596 0.8933 0.8343 0.0290 0.0769 0.1089 169 ASN A N 1290 C CA . ASN A 166 ? 0.5325 0.7712 0.7165 0.0410 0.0700 0.1102 169 ASN A CA 1291 C C . ASN A 166 ? 0.5368 0.7963 0.7344 0.0342 0.0643 0.1135 169 ASN A C 1292 O O . ASN A 166 ? 0.6228 0.9093 0.8338 0.0286 0.0681 0.1131 169 ASN A O 1293 C CB . ASN A 166 ? 0.5838 0.8375 0.7768 0.0559 0.0749 0.1069 169 ASN A CB 1294 C CG . ASN A 166 ? 0.6371 0.8851 0.8333 0.0710 0.0673 0.1076 169 ASN A CG 1295 O OD1 . ASN A 166 ? 0.4708 0.7011 0.6606 0.0699 0.0591 0.1109 169 ASN A OD1 1296 N ND2 . ASN A 166 ? 0.8478 1.1101 1.0532 0.0854 0.0703 0.1045 169 ASN A ND2 1297 N N . ASN A 167 ? 0.5562 0.8034 0.7501 0.0342 0.0554 0.1167 170 ASN A N 1298 C CA . ASN A 167 ? 0.6049 0.8671 0.8075 0.0265 0.0491 0.1197 170 ASN A CA 1299 C C . ASN A 167 ? 0.7873 1.0748 1.0072 0.0361 0.0445 0.1205 170 ASN A C 1300 O O . ASN A 167 ? 0.9023 1.1820 1.1211 0.0484 0.0391 0.1218 170 ASN A O 1301 C CB . ASN A 167 ? 0.5296 0.7683 0.7194 0.0217 0.0420 0.1227 170 ASN A CB 1302 C CG . ASN A 167 ? 0.4999 0.7515 0.6957 0.0141 0.0352 0.1255 170 ASN A CG 1303 O OD1 . ASN A 167 ? 0.4923 0.7669 0.6992 0.0069 0.0362 0.1249 170 ASN A OD1 1304 N ND2 . ASN A 167 ? 0.4266 0.6631 0.6143 0.0155 0.0282 0.1285 170 ASN A ND2 1305 N N . THR A 168 ? 0.7706 1.0880 1.0064 0.0302 0.0462 0.1198 171 THR A N 1306 C CA . THR A 168 ? 0.7848 1.1287 1.0388 0.0372 0.0402 0.1204 171 THR A CA 1307 C C . THR A 168 ? 0.8395 1.2040 1.1036 0.0232 0.0368 0.1215 171 THR A C 1308 O O . THR A 168 ? 1.0113 1.4036 1.2914 0.0180 0.0417 0.1194 171 THR A O 1309 C CB . THR A 168 ? 0.7822 1.1501 1.0522 0.0492 0.0462 0.1168 171 THR A CB 1310 O OG1 . THR A 168 ? 0.8783 1.2802 1.1703 0.0503 0.0417 0.1166 171 THR A OG1 1311 C CG2 . THR A 168 ? 0.4992 0.8718 0.7682 0.0420 0.0590 0.1136 171 THR A CG2 1312 N N . SER A 169 ? 0.6650 1.0156 0.9194 0.0168 0.0287 0.1246 172 SER A N 1313 C CA . SER A 169 ? 0.7582 1.1261 1.0208 0.0050 0.0232 0.1254 172 SER A CA 1314 C C . SER A 169 ? 0.8155 1.1823 1.0776 0.0123 0.0112 0.1283 172 SER A C 1315 O O . SER A 169 ? 0.9076 1.2867 1.1749 0.0053 0.0039 0.1292 172 SER A O 1316 C CB . SER A 169 ? 0.8767 1.2273 1.1251 -0.0116 0.0249 0.1258 172 SER A CB 1317 O OG . SER A 169 ? 1.0138 1.3857 1.2733 -0.0250 0.0259 0.1246 172 SER A OG 1318 N N . GLY A 170 ? 0.8437 1.1938 1.0979 0.0263 0.0092 0.1298 173 GLY A N 1319 C CA . GLY A 170 ? 0.8898 1.2354 1.1409 0.0352 -0.0016 0.1332 173 GLY A CA 1320 C C . GLY A 170 ? 0.8775 1.1969 1.1087 0.0277 -0.0060 0.1366 173 GLY A C 1321 O O . GLY A 170 ? 0.9175 1.2312 1.1426 0.0322 -0.0148 0.1399 173 GLY A O 1322 N N . GLU A 171 ? 0.8764 1.1801 1.0969 0.0164 0.0004 0.1355 174 GLU A N 1323 C CA . GLU A 171 ? 0.8023 1.0820 1.0047 0.0092 -0.0024 0.1378 174 GLU A CA 1324 C C . GLU A 171 ? 0.5915 0.8461 0.7809 0.0060 0.0051 0.1367 174 GLU A C 1325 O O . GLU A 171 ? 0.5157 0.7720 0.7088 0.0059 0.0125 0.1338 174 GLU A O 1326 C CB . GLU A 171 ? 0.8911 1.1805 1.0942 -0.0047 -0.0059 0.1370 174 GLU A CB 1327 C CG . GLU A 171 ? 0.9137 1.2225 1.1253 -0.0024 -0.0158 0.1384 174 GLU A CG 1328 C CD . GLU A 171 ? 0.8731 1.1889 1.0838 -0.0165 -0.0199 0.1372 174 GLU A CD 1329 O OE1 . GLU A 171 ? 1.0048 1.3307 1.2175 -0.0158 -0.0293 0.1384 174 GLU A OE1 1330 O OE2 . GLU A 171 ? 0.6888 0.9988 0.8958 -0.0280 -0.0142 0.1349 174 GLU A OE2 1331 N N . GLN A 172 ? 0.5222 0.7541 0.6962 0.0034 0.0029 0.1389 175 GLN A N 1332 C CA . GLN A 172 ? 0.3711 0.5796 0.5332 -0.0007 0.0084 0.1376 175 GLN A CA 1333 C C . GLN A 172 ? 0.4254 0.6374 0.5875 -0.0135 0.0123 0.1342 175 GLN A C 1334 O O . GLN A 172 ? 0.4520 0.6756 0.6166 -0.0218 0.0088 0.1340 175 GLN A O 1335 C CB . GLN A 172 ? 0.2951 0.4830 0.4430 -0.0017 0.0051 0.1407 175 GLN A CB 1336 C CG . GLN A 172 ? 0.4935 0.6574 0.6324 0.0011 0.0092 0.1406 175 GLN A CG 1337 C CD . GLN A 172 ? 0.6724 0.8185 0.7990 -0.0001 0.0067 0.1440 175 GLN A CD 1338 O OE1 . GLN A 172 ? 0.7114 0.8610 0.8336 -0.0050 0.0028 0.1456 175 GLN A OE1 1339 N NE2 . GLN A 172 ? 0.6629 0.7895 0.7834 0.0040 0.0090 0.1449 175 GLN A NE2 1340 N N . MET A 173 ? 0.3876 0.5883 0.5457 -0.0152 0.0188 0.1316 176 MET A N 1341 C CA . MET A 173 ? 0.3662 0.5686 0.5231 -0.0265 0.0226 0.1286 176 MET A CA 1342 C C . MET A 173 ? 0.4351 0.6131 0.5782 -0.0319 0.0245 0.1269 176 MET A C 1343 O O . MET A 173 ? 0.5221 0.6840 0.6596 -0.0263 0.0271 0.1262 176 MET A O 1344 C CB . MET A 173 ? 0.3209 0.5368 0.4868 -0.0250 0.0290 0.1266 176 MET A CB 1345 C CG . MET A 173 ? 0.3273 0.5476 0.4923 -0.0378 0.0327 0.1244 176 MET A CG 1346 S SD . MET A 173 ? 0.5986 0.8340 0.7720 -0.0369 0.0420 0.1224 176 MET A SD 1347 C CE . MET A 173 ? 0.2224 0.4913 0.4173 -0.0293 0.0398 0.1236 176 MET A CE 1348 N N . LEU A 174 ? 0.3692 0.5446 0.5071 -0.0426 0.0225 0.1257 177 LEU A N 1349 C CA . LEU A 174 ? 0.2580 0.4126 0.3840 -0.0481 0.0237 0.1232 177 LEU A CA 1350 C C . LEU A 174 ? 0.3122 0.4641 0.4363 -0.0524 0.0289 0.1206 177 LEU A C 1351 O O . LEU A 174 ? 0.3826 0.5481 0.5115 -0.0591 0.0301 0.1203 177 LEU A O 1352 C CB . LEU A 174 ? 0.3550 0.5076 0.4752 -0.0568 0.0191 0.1226 177 LEU A CB 1353 C CG . LEU A 174 ? 0.3314 0.4661 0.4407 -0.0639 0.0197 0.1191 177 LEU A CG 1354 C CD1 . LEU A 174 ? 0.3760 0.4921 0.4790 -0.0584 0.0209 0.1183 177 LEU A CD1 1355 C CD2 . LEU A 174 ? 0.2118 0.3470 0.3161 -0.0720 0.0148 0.1180 177 LEU A CD2 1356 N N . ILE A 175 ? 0.4797 0.6137 0.5964 -0.0490 0.0318 0.1188 178 ILE A N 1357 C CA . ILE A 175 ? 0.4829 0.6108 0.5946 -0.0523 0.0365 0.1164 178 ILE A CA 1358 C C . ILE A 175 ? 0.4376 0.5422 0.5366 -0.0558 0.0351 0.1134 178 ILE A C 1359 O O . ILE A 175 ? 0.3842 0.4755 0.4801 -0.0507 0.0334 0.1127 178 ILE A O 1360 C CB . ILE A 175 ? 0.3790 0.5087 0.4938 -0.0429 0.0414 0.1162 178 ILE A CB 1361 C CG1 . ILE A 175 ? 0.3661 0.5198 0.4948 -0.0376 0.0423 0.1185 178 ILE A CG1 1362 C CG2 . ILE A 175 ? 0.3041 0.4278 0.4116 -0.0467 0.0467 0.1139 178 ILE A CG2 1363 C CD1 . ILE A 175 ? 0.4683 0.6250 0.6003 -0.0273 0.0472 0.1177 178 ILE A CD1 1364 N N . ILE A 176 ? 0.2948 0.3945 0.3868 -0.0646 0.0357 0.1118 179 ILE A N 1365 C CA . ILE A 176 ? 0.3045 0.3825 0.3843 -0.0679 0.0332 0.1086 179 ILE A CA 1366 C C . ILE A 176 ? 0.3871 0.4531 0.4574 -0.0689 0.0367 0.1068 179 ILE A C 1367 O O . ILE A 176 ? 0.5034 0.5772 0.5730 -0.0740 0.0405 0.1080 179 ILE A O 1368 C CB . ILE A 176 ? 0.3727 0.4498 0.4485 -0.0775 0.0290 0.1078 179 ILE A CB 1369 C CG1 . ILE A 176 ? 0.4461 0.5360 0.5296 -0.0771 0.0256 0.1097 179 ILE A CG1 1370 C CG2 . ILE A 176 ? 0.2043 0.2592 0.2684 -0.0791 0.0257 0.1040 179 ILE A CG2 1371 C CD1 . ILE A 176 ? 0.4398 0.5280 0.5183 -0.0857 0.0210 0.1083 179 ILE A CD1 1372 N N . TRP A 177 ? 0.4991 0.5462 0.5619 -0.0642 0.0353 0.1040 180 TRP A N 1373 C CA . TRP A 177 ? 0.5456 0.5776 0.5961 -0.0650 0.0372 0.1020 180 TRP A CA 1374 C C . TRP A 177 ? 0.4996 0.5099 0.5396 -0.0664 0.0317 0.0982 180 TRP A C 1375 O O . TRP A 177 ? 0.6520 0.6606 0.6957 -0.0662 0.0274 0.0970 180 TRP A O 1376 C CB . TRP A 177 ? 0.4824 0.5124 0.5331 -0.0559 0.0411 0.1016 180 TRP A CB 1377 C CG . TRP A 177 ? 0.3807 0.3986 0.4324 -0.0483 0.0374 0.0993 180 TRP A CG 1378 C CD1 . TRP A 177 ? 0.4589 0.4563 0.5012 -0.0459 0.0342 0.0956 180 TRP A CD1 1379 C CD2 . TRP A 177 ? 0.4648 0.4899 0.5275 -0.0426 0.0362 0.1008 180 TRP A CD2 1380 N NE1 . TRP A 177 ? 0.6020 0.5948 0.6504 -0.0397 0.0314 0.0944 180 TRP A NE1 1381 C CE2 . TRP A 177 ? 0.5880 0.5967 0.6482 -0.0379 0.0329 0.0979 180 TRP A CE2 1382 C CE3 . TRP A 177 ? 0.4333 0.4765 0.5073 -0.0412 0.0371 0.1044 180 TRP A CE3 1383 C CZ2 . TRP A 177 ? 0.5649 0.5743 0.6331 -0.0328 0.0314 0.0990 180 TRP A CZ2 1384 C CZ3 . TRP A 177 ? 0.5003 0.5428 0.5806 -0.0352 0.0352 0.1056 180 TRP A CZ3 1385 C CH2 . TRP A 177 ? 0.5064 0.5318 0.5836 -0.0316 0.0327 0.1031 180 TRP A CH2 1386 N N . GLY A 178 ? 0.3379 0.3318 0.3645 -0.0674 0.0318 0.0962 181 GLY A N 1387 C CA . GLY A 178 ? 0.3845 0.3575 0.4010 -0.0676 0.0257 0.0922 181 GLY A CA 1388 C C . GLY A 178 ? 0.4285 0.3829 0.4318 -0.0637 0.0253 0.0897 181 GLY A C 1389 O O . GLY A 178 ? 0.5653 0.5215 0.5634 -0.0631 0.0307 0.0915 181 GLY A O 1390 N N . VAL A 179 ? 0.4143 0.3513 0.4124 -0.0605 0.0188 0.0853 182 VAL A N 1391 C CA . VAL A 179 ? 0.5309 0.4474 0.5141 -0.0573 0.0163 0.0824 182 VAL A CA 1392 C C . VAL A 179 ? 0.6343 0.5323 0.6041 -0.0612 0.0097 0.0796 182 VAL A C 1393 O O . VAL A 179 ? 0.6933 0.5930 0.6680 -0.0640 0.0057 0.0783 182 VAL A O 1394 C CB . VAL A 179 ? 0.3198 0.2301 0.3081 -0.0482 0.0134 0.0789 182 VAL A CB 1395 C CG1 . VAL A 179 ? 0.4354 0.3638 0.4407 -0.0446 0.0173 0.0813 182 VAL A CG1 1396 C CG2 . VAL A 179 ? 0.3209 0.2185 0.3097 -0.0464 0.0048 0.0738 182 VAL A CG2 1397 N N . HIS A 180 ? 0.5285 0.4077 0.4800 -0.0610 0.0082 0.0787 183 HIS A N 1398 C CA . HIS A 180 ? 0.5331 0.3916 0.4689 -0.0641 0.0012 0.0763 183 HIS A CA 1399 C C . HIS A 180 ? 0.5952 0.4359 0.5271 -0.0562 -0.0076 0.0702 183 HIS A C 1400 O O . HIS A 180 ? 0.8167 0.6500 0.7438 -0.0504 -0.0079 0.0687 183 HIS A O 1401 C CB . HIS A 180 ? 0.6184 0.4654 0.5336 -0.0702 0.0050 0.0797 183 HIS A CB 1402 C CG . HIS A 180 ? 0.6995 0.5231 0.5962 -0.0741 -0.0023 0.0782 183 HIS A CG 1403 N ND1 . HIS A 180 ? 0.7866 0.5896 0.6593 -0.0768 -0.0023 0.0798 183 HIS A ND1 1404 C CD2 . HIS A 180 ? 0.8169 0.6334 0.7144 -0.0753 -0.0100 0.0752 183 HIS A CD2 1405 C CE1 . HIS A 180 ? 0.8905 0.6734 0.7496 -0.0796 -0.0103 0.0781 183 HIS A CE1 1406 N NE2 . HIS A 180 ? 0.9120 0.7030 0.7863 -0.0784 -0.0152 0.0749 183 HIS A NE2 1407 N N . HIS A 181 ? 0.5561 0.3909 0.4909 -0.0557 -0.0151 0.0662 184 HIS A N 1408 C CA . HIS A 181 ? 0.5501 0.3692 0.4826 -0.0485 -0.0246 0.0598 184 HIS A CA 1409 C C . HIS A 181 ? 0.6061 0.4008 0.5172 -0.0501 -0.0320 0.0579 184 HIS A C 1410 O O . HIS A 181 ? 0.6404 0.4322 0.5510 -0.0528 -0.0360 0.0564 184 HIS A O 1411 C CB . HIS A 181 ? 0.5863 0.4174 0.5392 -0.0455 -0.0279 0.0558 184 HIS A CB 1412 C CG . HIS A 181 ? 0.6747 0.5271 0.6472 -0.0442 -0.0214 0.0579 184 HIS A CG 1413 N ND1 . HIS A 181 ? 0.7525 0.6051 0.7305 -0.0386 -0.0211 0.0567 184 HIS A ND1 1414 C CD2 . HIS A 181 ? 0.8241 0.6964 0.8103 -0.0476 -0.0157 0.0611 184 HIS A CD2 1415 C CE1 . HIS A 181 ? 0.8437 0.7149 0.8381 -0.0387 -0.0153 0.0595 184 HIS A CE1 1416 N NE2 . HIS A 181 ? 0.8792 0.7626 0.8785 -0.0439 -0.0120 0.0622 184 HIS A NE2 1417 N N . PRO A 182 ? 0.4969 0.2725 0.3886 -0.0479 -0.0341 0.0580 185 PRO A N 1418 C CA . PRO A 182 ? 0.3916 0.1406 0.2584 -0.0496 -0.0409 0.0573 185 PRO A CA 1419 C C . PRO A 182 ? 0.7232 0.4585 0.5905 -0.0433 -0.0536 0.0501 185 PRO A C 1420 O O . PRO A 182 ? 0.6661 0.4103 0.5515 -0.0365 -0.0575 0.0449 185 PRO A O 1421 C CB . PRO A 182 ? 0.4312 0.1653 0.2796 -0.0466 -0.0399 0.0584 185 PRO A CB 1422 C CG . PRO A 182 ? 0.4311 0.1867 0.2935 -0.0461 -0.0297 0.0613 185 PRO A CG 1423 C CD . PRO A 182 ? 0.4912 0.2680 0.3814 -0.0436 -0.0301 0.0588 185 PRO A CD 1424 N N . ASN A 183 ? 0.6679 0.3813 0.5152 -0.0456 -0.0600 0.0499 186 ASN A N 1425 C CA . ASN A 183 ? 0.6396 0.3423 0.4864 -0.0381 -0.0721 0.0419 186 ASN A CA 1426 C C . ASN A 183 ? 0.7451 0.4331 0.5800 -0.0297 -0.0797 0.0371 186 ASN A C 1427 O O . ASN A 183 ? 0.7496 0.4357 0.5920 -0.0213 -0.0895 0.0296 186 ASN A O 1428 C CB . ASN A 183 ? 0.6408 0.3336 0.4738 -0.0427 -0.0748 0.0420 186 ASN A CB 1429 C CG . ASN A 183 ? 0.8539 0.5362 0.6857 -0.0342 -0.0873 0.0337 186 ASN A CG 1430 O OD1 . ASN A 183 ? 0.9284 0.6194 0.7772 -0.0312 -0.0905 0.0294 186 ASN A OD1 1431 N ND2 . ASN A 183 ? 0.9150 0.5790 0.7265 -0.0302 -0.0944 0.0314 186 ASN A ND2 1432 N N . ASP A 184 ? 0.7751 0.4539 0.5916 -0.0321 -0.0752 0.0414 187 ASP A N 1433 C CA . ASP A 184 ? 0.8010 0.4637 0.6017 -0.0249 -0.0824 0.0375 187 ASP A CA 1434 C C . ASP A 184 ? 0.7688 0.4275 0.5571 -0.0269 -0.0744 0.0425 187 ASP A C 1435 O O . ASP A 184 ? 0.6812 0.3478 0.4687 -0.0348 -0.0629 0.0497 187 ASP A O 1436 C CB . ASP A 184 ? 1.0310 0.6741 0.8083 -0.0250 -0.0898 0.0358 187 ASP A CB 1437 C CG . ASP A 184 ? 1.0911 0.7305 0.8543 -0.0359 -0.0818 0.0428 187 ASP A CG 1438 O OD1 . ASP A 184 ? 1.1227 0.7593 0.8847 -0.0382 -0.0855 0.0416 187 ASP A OD1 1439 O OD2 . ASP A 184 ? 1.0603 0.7004 0.8142 -0.0421 -0.0716 0.0491 187 ASP A OD2 1440 N N . GLU A 185 ? 0.7641 0.4115 0.5430 -0.0194 -0.0806 0.0383 188 GLU A N 1441 C CA . GLU A 185 ? 0.6423 0.2833 0.4074 -0.0194 -0.0741 0.0418 188 GLU A CA 1442 C C . GLU A 185 ? 0.6831 0.3125 0.4218 -0.0275 -0.0659 0.0488 188 GLU A C 1443 O O . GLU A 185 ? 0.7156 0.3471 0.4470 -0.0312 -0.0550 0.0546 188 GLU A O 1444 C CB . GLU A 185 ? 0.7704 0.3984 0.5267 -0.0097 -0.0845 0.0350 188 GLU A CB 1445 C CG . GLU A 185 ? 0.9842 0.6034 0.7250 -0.0080 -0.0788 0.0374 188 GLU A CG 1446 C CD . GLU A 185 ? 1.0977 0.6990 0.8212 0.0003 -0.0899 0.0310 188 GLU A CD 1447 O OE1 . GLU A 185 ? 1.1832 0.7792 0.9061 0.0043 -0.1020 0.0252 188 GLU A OE1 1448 O OE2 . GLU A 185 ? 0.9755 0.5676 0.6851 0.0031 -0.0866 0.0317 188 GLU A OE2 1449 N N . THR A 186 ? 0.7854 0.4034 0.5103 -0.0303 -0.0709 0.0481 189 THR A N 1450 C CA . THR A 186 ? 0.7573 0.3630 0.4566 -0.0385 -0.0643 0.0538 189 THR A CA 1451 C C . THR A 186 ? 0.7100 0.3336 0.4179 -0.0494 -0.0494 0.0619 189 THR A C 1452 O O . THR A 186 ? 0.6807 0.3027 0.3744 -0.0547 -0.0390 0.0673 189 THR A O 1453 C CB . THR A 186 ? 0.7647 0.3551 0.4500 -0.0396 -0.0733 0.0512 189 THR A CB 1454 O OG1 . THR A 186 ? 0.7988 0.3737 0.4749 -0.0294 -0.0873 0.0438 189 THR A OG1 1455 C CG2 . THR A 186 ? 0.7125 0.2900 0.3719 -0.0490 -0.0661 0.0570 189 THR A CG2 1456 N N . GLU A 187 ? 0.7017 0.3436 0.4330 -0.0528 -0.0482 0.0623 190 GLU A N 1457 C CA . GLU A 187 ? 0.7205 0.3825 0.4626 -0.0629 -0.0351 0.0693 190 GLU A CA 1458 C C . GLU A 187 ? 0.6798 0.3567 0.4332 -0.0614 -0.0259 0.0725 190 GLU A C 1459 O O . GLU A 187 ? 0.7662 0.4573 0.5213 -0.0688 -0.0134 0.0787 190 GLU A O 1460 C CB . GLU A 187 ? 0.6760 0.3523 0.4380 -0.0669 -0.0369 0.0686 190 GLU A CB 1461 C CG . GLU A 187 ? 0.8795 0.5687 0.6665 -0.0605 -0.0410 0.0649 190 GLU A CG 1462 C CD . GLU A 187 ? 1.0663 0.7723 0.8717 -0.0661 -0.0394 0.0658 190 GLU A CD 1463 O OE1 . GLU A 187 ? 1.1495 0.8567 0.9675 -0.0609 -0.0474 0.0605 190 GLU A OE1 1464 O OE2 . GLU A 187 ? 1.0857 0.8047 0.8934 -0.0756 -0.0302 0.0713 190 GLU A OE2 1465 N N . GLN A 188 ? 0.5571 0.2314 0.3187 -0.0517 -0.0322 0.0680 191 GLN A N 1466 C CA . GLN A 188 ? 0.5924 0.2846 0.3674 -0.0475 -0.0244 0.0682 191 GLN A CA 1467 C C . GLN A 188 ? 0.8064 0.4881 0.5576 -0.0481 -0.0167 0.0715 191 GLN A C 1468 O O . GLN A 188 ? 0.8851 0.5857 0.6427 -0.0510 -0.0041 0.0753 191 GLN A O 1469 C CB . GLN A 188 ? 0.5331 0.2253 0.3223 -0.0365 -0.0338 0.0608 191 GLN A CB 1470 C CG . GLN A 188 ? 0.5207 0.2276 0.3212 -0.0312 -0.0272 0.0601 191 GLN A CG 1471 C CD . GLN A 188 ? 0.5747 0.3128 0.4011 -0.0351 -0.0169 0.0635 191 GLN A CD 1472 O OE1 . GLN A 188 ? 0.5510 0.3023 0.3962 -0.0378 -0.0188 0.0633 191 GLN A OE1 1473 N NE2 . GLN A 188 ? 0.5899 0.3398 0.4167 -0.0347 -0.0063 0.0665 191 GLN A NE2 1474 N N . ARG A 189 ? 0.8114 0.4626 0.5342 -0.0449 -0.0245 0.0699 192 ARG A N 1475 C CA . ARG A 189 ? 0.7908 0.4276 0.4861 -0.0448 -0.0182 0.0726 192 ARG A CA 1476 C C . ARG A 189 ? 0.8415 0.4848 0.5265 -0.0567 -0.0054 0.0798 192 ARG A C 1477 O O . ARG A 189 ? 0.8498 0.5018 0.5292 -0.0591 0.0075 0.0841 192 ARG A O 1478 C CB . ARG A 189 ? 0.8145 0.4225 0.4857 -0.0381 -0.0309 0.0671 192 ARG A CB 1479 C CG . ARG A 189 ? 0.7373 0.3394 0.4175 -0.0261 -0.0434 0.0592 192 ARG A CG 1480 C CD . ARG A 189 ? 0.7752 0.3632 0.4362 -0.0193 -0.0417 0.0583 192 ARG A CD 1481 N NE . ARG A 189 ? 0.8161 0.4006 0.4884 -0.0084 -0.0543 0.0498 192 ARG A NE 1482 C CZ . ARG A 189 ? 0.9659 0.5403 0.6269 -0.0005 -0.0561 0.0463 192 ARG A CZ 1483 N NH1 . ARG A 189 ? 1.1150 0.6838 0.7534 -0.0016 -0.0452 0.0500 192 ARG A NH1 1484 N NH2 . ARG A 189 ? 0.8991 0.4726 0.5736 0.0081 -0.0682 0.0382 192 ARG A NH2 1485 N N . THR A 190 ? 0.8673 0.5099 0.5529 -0.0635 -0.0089 0.0800 193 THR A N 1486 C CA . THR A 190 ? 0.9426 0.5919 0.6208 -0.0751 0.0016 0.0855 193 THR A CA 1487 C C . THR A 190 ? 0.8819 0.5628 0.5827 -0.0825 0.0151 0.0909 193 THR A C 1488 O O . THR A 190 ? 0.9137 0.6050 0.6101 -0.0901 0.0271 0.0956 193 THR A O 1489 C CB . THR A 190 ? 0.9652 0.6043 0.6385 -0.0803 -0.0066 0.0840 193 THR A CB 1490 O OG1 . THR A 190 ? 1.0441 0.6939 0.7406 -0.0788 -0.0138 0.0810 193 THR A OG1 1491 C CG2 . THR A 190 ? 1.0699 0.6776 0.7164 -0.0742 -0.0182 0.0794 193 THR A CG2 1492 N N . LEU A 191 ? 0.7710 0.4683 0.4970 -0.0801 0.0131 0.0898 194 LEU A N 1493 C CA . LEU A 191 ? 0.7088 0.4371 0.4581 -0.0867 0.0242 0.0942 194 LEU A CA 1494 C C . LEU A 191 ? 0.7431 0.4908 0.5042 -0.0801 0.0333 0.0939 194 LEU A C 1495 O O . LEU A 191 ? 0.7761 0.5440 0.5430 -0.0853 0.0461 0.0981 194 LEU A O 1496 C CB . LEU A 191 ? 0.6382 0.3791 0.4115 -0.0876 0.0175 0.0923 194 LEU A CB 1497 C CG . LEU A 191 ? 0.6563 0.3974 0.4309 -0.0955 0.0138 0.0921 194 LEU A CG 1498 C CD1 . LEU A 191 ? 0.5554 0.2968 0.3446 -0.0923 0.0032 0.0878 194 LEU A CD1 1499 C CD2 . LEU A 191 ? 0.7850 0.5520 0.5723 -0.1058 0.0253 0.0971 194 LEU A CD2 1500 N N . TYR A 192 ? 0.6856 0.4296 0.4532 -0.0680 0.0261 0.0880 195 TYR A N 1501 C CA . TYR A 192 ? 0.6569 0.4205 0.4399 -0.0601 0.0327 0.0863 195 TYR A CA 1502 C C . TYR A 192 ? 0.6609 0.4055 0.4222 -0.0514 0.0324 0.0833 195 TYR A C 1503 O O . TYR A 192 ? 0.5584 0.3135 0.3289 -0.0431 0.0358 0.0806 195 TYR A O 1504 C CB . TYR A 192 ? 0.6345 0.4127 0.4458 -0.0538 0.0261 0.0822 195 TYR A CB 1505 C CG . TYR A 192 ? 0.6287 0.4212 0.4579 -0.0614 0.0245 0.0843 195 TYR A CG 1506 C CD1 . TYR A 192 ? 0.6444 0.4629 0.4887 -0.0685 0.0343 0.0890 195 TYR A CD1 1507 C CD2 . TYR A 192 ? 0.6045 0.3848 0.4355 -0.0610 0.0128 0.0811 195 TYR A CD2 1508 C CE1 . TYR A 192 ? 0.6152 0.4456 0.4743 -0.0753 0.0321 0.0905 195 TYR A CE1 1509 C CE2 . TYR A 192 ? 0.5442 0.3365 0.3897 -0.0674 0.0114 0.0824 195 TYR A CE2 1510 C CZ . TYR A 192 ? 0.5668 0.3834 0.4255 -0.0747 0.0209 0.0872 195 TYR A CZ 1511 O OH . TYR A 192 ? 0.5720 0.3996 0.4439 -0.0809 0.0188 0.0882 195 TYR A OH 1512 N N . GLN A 193 ? 0.6730 0.3880 0.4042 -0.0531 0.0273 0.0835 196 GLN A N 1513 C CA . GLN A 193 ? 0.7214 0.4148 0.4255 -0.0463 0.0273 0.0814 196 GLN A CA 1514 C C . GLN A 193 ? 0.7095 0.3933 0.4175 -0.0333 0.0164 0.0738 196 GLN A C 1515 O O . GLN A 193 ? 0.7326 0.3909 0.4154 -0.0274 0.0106 0.0708 196 GLN A O 1516 C CB . GLN A 193 ? 0.8615 0.5697 0.5604 -0.0481 0.0440 0.0850 196 GLN A CB 1517 C CG . GLN A 193 ? 1.0393 0.7234 0.7004 -0.0511 0.0489 0.0878 196 GLN A CG 1518 C CD . GLN A 193 ? 1.1378 0.7990 0.7778 -0.0389 0.0427 0.0822 196 GLN A CD 1519 O OE1 . GLN A 193 ? 1.0511 0.6804 0.6619 -0.0379 0.0339 0.0813 196 GLN A OE1 1520 N NE2 . GLN A 193 ? 1.2001 0.8760 0.8537 -0.0294 0.0466 0.0781 196 GLN A NE2 1521 N N . ASN A 194 ? 0.7585 0.4617 0.4972 -0.0292 0.0132 0.0708 197 ASN A N 1522 C CA . ASN A 194 ? 0.6995 0.3973 0.4459 -0.0182 0.0040 0.0639 197 ASN A CA 1523 C C . ASN A 194 ? 0.7467 0.4485 0.5158 -0.0170 -0.0076 0.0602 197 ASN A C 1524 O O . ASN A 194 ? 0.8268 0.5443 0.6131 -0.0235 -0.0058 0.0631 197 ASN A O 1525 C CB . ASN A 194 ? 0.7644 0.4824 0.5256 -0.0128 0.0133 0.0633 197 ASN A CB 1526 C CG . ASN A 194 ? 1.0430 0.7536 0.7803 -0.0100 0.0228 0.0642 197 ASN A CG 1527 O OD1 . ASN A 194 ? 1.0962 0.7807 0.8070 -0.0053 0.0172 0.0611 197 ASN A OD1 1528 N ND2 . ASN A 194 ? 1.1330 0.8669 0.8791 -0.0126 0.0372 0.0682 197 ASN A ND2 1529 N N . VAL A 195 ? 0.7474 0.4354 0.5166 -0.0087 -0.0194 0.0536 198 VAL A N 1530 C CA . VAL A 195 ? 0.7851 0.4812 0.5798 -0.0066 -0.0288 0.0495 198 VAL A CA 1531 C C . VAL A 195 ? 0.7938 0.5032 0.6075 -0.0004 -0.0270 0.0466 198 VAL A C 1532 O O . VAL A 195 ? 0.9024 0.6087 0.7056 0.0040 -0.0217 0.0464 198 VAL A O 1533 C CB . VAL A 195 ? 0.8354 0.5078 0.6199 -0.0023 -0.0447 0.0435 198 VAL A CB 1534 C CG1 . VAL A 195 ? 0.8845 0.5680 0.6940 -0.0037 -0.0518 0.0411 198 VAL A CG1 1535 C CG2 . VAL A 195 ? 0.8901 0.5385 0.6426 -0.0054 -0.0468 0.0459 198 VAL A CG2 1536 N N . GLY A 196 ? 0.7953 0.5187 0.6361 -0.0001 -0.0313 0.0445 199 GLY A N 1537 C CA . GLY A 196 ? 0.8089 0.5442 0.6683 0.0046 -0.0297 0.0426 199 GLY A CA 1538 C C . GLY A 196 ? 0.8431 0.5995 0.7110 0.0024 -0.0159 0.0483 199 GLY A C 1539 O O . GLY A 196 ? 0.9902 0.7497 0.8596 0.0077 -0.0117 0.0476 199 GLY A O 1540 N N . THR A 197 ? 0.7819 0.5527 0.6554 -0.0052 -0.0095 0.0536 200 THR A N 1541 C CA . THR A 197 ? 0.7509 0.5443 0.6349 -0.0078 0.0028 0.0590 200 THR A CA 1542 C C . THR A 197 ? 0.6780 0.4908 0.5897 -0.0076 0.0028 0.0596 200 THR A C 1543 O O . THR A 197 ? 0.7334 0.5425 0.6560 -0.0064 -0.0057 0.0561 200 THR A O 1544 C CB . THR A 197 ? 0.7732 0.5732 0.6499 -0.0168 0.0095 0.0645 200 THR A CB 1545 O OG1 . THR A 197 ? 0.6801 0.4789 0.5632 -0.0221 0.0028 0.0643 200 THR A OG1 1546 C CG2 . THR A 197 ? 0.8560 0.6369 0.7034 -0.0176 0.0115 0.0650 200 THR A CG2 1547 N N . TYR A 198 ? 0.6191 0.4527 0.5421 -0.0089 0.0123 0.0641 201 TYR A N 1548 C CA . TYR A 198 ? 0.4710 0.3225 0.4180 -0.0088 0.0129 0.0656 201 TYR A CA 1549 C C . TYR A 198 ? 0.5275 0.4021 0.4837 -0.0129 0.0225 0.0714 201 TYR A C 1550 O O . TYR A 198 ? 0.5537 0.4328 0.5007 -0.0133 0.0301 0.0736 201 TYR A O 1551 C CB . TYR A 198 ? 0.3953 0.2434 0.3486 -0.0006 0.0109 0.0628 201 TYR A CB 1552 C CG . TYR A 198 ? 0.6400 0.4917 0.5867 0.0052 0.0188 0.0638 201 TYR A CG 1553 C CD1 . TYR A 198 ? 0.7757 0.6474 0.7365 0.0068 0.0258 0.0676 201 TYR A CD1 1554 C CD2 . TYR A 198 ? 0.7411 0.5761 0.6668 0.0098 0.0190 0.0606 201 TYR A CD2 1555 C CE1 . TYR A 198 ? 0.8746 0.7507 0.8303 0.0133 0.0329 0.0678 201 TYR A CE1 1556 C CE2 . TYR A 198 ? 0.8462 0.6852 0.7656 0.0158 0.0269 0.0609 201 TYR A CE2 1557 C CZ . TYR A 198 ? 0.8521 0.7123 0.7873 0.0178 0.0339 0.0643 201 TYR A CZ 1558 O OH . TYR A 198 ? 0.8185 0.6836 0.7484 0.0249 0.0416 0.0639 201 TYR A OH 1559 N N . VAL A 199 ? 0.5270 0.4170 0.5015 -0.0159 0.0221 0.0737 202 VAL A N 1560 C CA . VAL A 199 ? 0.4355 0.3483 0.4211 -0.0187 0.0297 0.0788 202 VAL A CA 1561 C C . VAL A 199 ? 0.3563 0.2793 0.3579 -0.0130 0.0301 0.0797 202 VAL A C 1562 O O . VAL A 199 ? 0.4330 0.3526 0.4436 -0.0125 0.0246 0.0784 202 VAL A O 1563 C CB . VAL A 199 ? 0.2760 0.1979 0.2670 -0.0277 0.0289 0.0814 202 VAL A CB 1564 C CG1 . VAL A 199 ? 0.2644 0.2107 0.2691 -0.0300 0.0350 0.0862 202 VAL A CG1 1565 C CG2 . VAL A 199 ? 0.3823 0.2933 0.3561 -0.0339 0.0289 0.0813 202 VAL A CG2 1566 N N . SER A 200 ? 0.3965 0.3318 0.4015 -0.0086 0.0367 0.0819 203 SER A N 1567 C CA A SER A 200 ? 0.4551 0.3975 0.4729 -0.0021 0.0367 0.0829 203 SER A CA 1568 C CA B SER A 200 ? 0.4739 0.4163 0.4917 -0.0022 0.0367 0.0829 203 SER A CA 1569 C C . SER A 200 ? 0.5211 0.4876 0.5514 -0.0031 0.0421 0.0878 203 SER A C 1570 O O . SER A 200 ? 0.6783 0.6566 0.7066 -0.0032 0.0487 0.0892 203 SER A O 1571 C CB A SER A 200 ? 0.4944 0.4255 0.5044 0.0075 0.0375 0.0797 203 SER A CB 1572 C CB B SER A 200 ? 0.5209 0.4518 0.5312 0.0075 0.0373 0.0797 203 SER A CB 1573 O OG A SER A 200 ? 0.6074 0.5304 0.6246 0.0124 0.0323 0.0784 203 SER A OG 1574 O OG B SER A 200 ? 0.5397 0.4650 0.5586 0.0125 0.0328 0.0790 203 SER A OG 1575 N N . VAL A 201 ? 0.4601 0.4341 0.5032 -0.0039 0.0393 0.0903 204 VAL A N 1576 C CA . VAL A 201 ? 0.3955 0.3913 0.4506 -0.0041 0.0427 0.0947 204 VAL A CA 1577 C C . VAL A 201 ? 0.3819 0.3781 0.4455 0.0035 0.0408 0.0962 204 VAL A C 1578 O O . VAL A 201 ? 0.4936 0.4795 0.5595 0.0029 0.0360 0.0961 204 VAL A O 1579 C CB . VAL A 201 ? 0.3958 0.4012 0.4563 -0.0134 0.0409 0.0973 204 VAL A CB 1580 C CG1 . VAL A 201 ? 0.4351 0.4627 0.5074 -0.0132 0.0433 0.1016 204 VAL A CG1 1581 C CG2 . VAL A 201 ? 0.3694 0.3718 0.4203 -0.0213 0.0421 0.0960 204 VAL A CG2 1582 N N . GLY A 202 ? 0.3359 0.3440 0.4041 0.0106 0.0446 0.0977 205 GLY A N 1583 C CA . GLY A 202 ? 0.4455 0.4522 0.5199 0.0187 0.0424 0.0994 205 GLY A CA 1584 C C . GLY A 202 ? 0.5172 0.5454 0.6023 0.0224 0.0446 0.1033 205 GLY A C 1585 O O . GLY A 202 ? 0.4956 0.5404 0.5835 0.0232 0.0496 0.1032 205 GLY A O 1586 N N . THR A 203 ? 0.6117 0.6397 0.7030 0.0246 0.0407 0.1067 206 THR A N 1587 C CA . THR A 203 ? 0.5411 0.5858 0.6415 0.0308 0.0409 0.1102 206 THR A CA 1588 C C . THR A 203 ? 0.5448 0.5754 0.6444 0.0400 0.0370 0.1115 206 THR A C 1589 O O . THR A 203 ? 0.6196 0.6298 0.7120 0.0429 0.0356 0.1086 206 THR A O 1590 C CB . THR A 203 ? 0.4046 0.4642 0.5120 0.0234 0.0389 0.1146 206 THR A CB 1591 O OG1 . THR A 203 ? 0.4205 0.4667 0.5257 0.0201 0.0344 0.1169 206 THR A OG1 1592 C CG2 . THR A 203 ? 0.3718 0.4411 0.4786 0.0128 0.0414 0.1134 206 THR A CG2 1593 N N . SER A 204 ? 0.4086 0.4489 0.5149 0.0444 0.0347 0.1158 207 SER A N 1594 C CA . SER A 204 ? 0.3624 0.3877 0.4666 0.0524 0.0304 0.1180 207 SER A CA 1595 C C . SER A 204 ? 0.4693 0.4769 0.5690 0.0447 0.0270 0.1203 207 SER A C 1596 O O . SER A 204 ? 0.4195 0.4066 0.5143 0.0478 0.0244 0.1199 207 SER A O 1597 C CB . SER A 204 ? 0.4135 0.4537 0.5248 0.0592 0.0281 0.1224 207 SER A CB 1598 O OG . SER A 204 ? 0.5727 0.6303 0.6901 0.0676 0.0314 0.1198 207 SER A OG 1599 N N . THR A 205 ? 0.7728 0.7890 0.8747 0.0344 0.0271 0.1223 208 THR A N 1600 C CA . THR A 205 ? 0.7354 0.7389 0.8346 0.0266 0.0249 0.1242 208 THR A CA 1601 C C . THR A 205 ? 0.6574 0.6532 0.7539 0.0191 0.0262 0.1193 208 THR A C 1602 O O . THR A 205 ? 0.7155 0.6959 0.8099 0.0154 0.0245 0.1184 208 THR A O 1603 C CB . THR A 205 ? 0.7180 0.7345 0.8200 0.0203 0.0241 0.1287 208 THR A CB 1604 O OG1 . THR A 205 ? 0.7558 0.7806 0.8585 0.0111 0.0260 0.1260 208 THR A OG1 1605 C CG2 . THR A 205 ? 0.7213 0.7549 0.8278 0.0268 0.0230 0.1319 208 THR A CG2 1606 N N . LEU A 206 ? 0.3690 0.3754 0.4655 0.0167 0.0289 0.1161 209 LEU A N 1607 C CA . LEU A 206 ? 0.4726 0.4727 0.5655 0.0092 0.0293 0.1119 209 LEU A CA 1608 C C . LEU A 206 ? 0.5447 0.5311 0.6312 0.0132 0.0297 0.1066 209 LEU A C 1609 O O . LEU A 206 ? 0.5865 0.5761 0.6710 0.0202 0.0321 0.1052 209 LEU A O 1610 C CB . LEU A 206 ? 0.5217 0.5381 0.6159 0.0025 0.0314 0.1118 209 LEU A CB 1611 C CG . LEU A 206 ? 0.2137 0.2229 0.3028 -0.0048 0.0312 0.1076 209 LEU A CG 1612 C CD1 . LEU A 206 ? 0.6562 0.6555 0.7461 -0.0098 0.0281 0.1072 209 LEU A CD1 1613 C CD2 . LEU A 206 ? 0.3897 0.4134 0.4788 -0.0111 0.0331 0.1079 209 LEU A CD2 1614 N N . ASN A 207 ? 0.5415 0.5132 0.6249 0.0089 0.0271 0.1033 210 ASN A N 1615 C CA . ASN A 207 ? 0.4087 0.3666 0.4845 0.0110 0.0262 0.0978 210 ASN A CA 1616 C C . ASN A 207 ? 0.3239 0.2755 0.3978 0.0032 0.0238 0.0945 210 ASN A C 1617 O O . ASN A 207 ? 0.3713 0.3127 0.4481 0.0006 0.0201 0.0931 210 ASN A O 1618 C CB . ASN A 207 ? 0.4425 0.3828 0.5162 0.0177 0.0233 0.0961 210 ASN A CB 1619 C CG . ASN A 207 ? 0.5837 0.5071 0.6492 0.0186 0.0206 0.0898 210 ASN A CG 1620 O OD1 . ASN A 207 ? 0.6817 0.6040 0.7387 0.0227 0.0228 0.0868 210 ASN A OD1 1621 N ND2 . ASN A 207 ? 0.7304 0.6408 0.7980 0.0147 0.0157 0.0877 210 ASN A ND2 1622 N N . LYS A 208 ? 0.3705 0.3285 0.4398 -0.0007 0.0256 0.0931 211 LYS A N 1623 C CA . LYS A 208 ? 0.4301 0.3822 0.4969 -0.0074 0.0227 0.0899 211 LYS A CA 1624 C C . LYS A 208 ? 0.5605 0.5031 0.6154 -0.0069 0.0223 0.0856 211 LYS A C 1625 O O . LYS A 208 ? 0.5908 0.5401 0.6399 -0.0063 0.0266 0.0866 211 LYS A O 1626 C CB . LYS A 208 ? 0.3749 0.3412 0.4462 -0.0144 0.0239 0.0927 211 LYS A CB 1627 C CG . LYS A 208 ? 0.5166 0.4769 0.5834 -0.0203 0.0210 0.0890 211 LYS A CG 1628 C CD . LYS A 208 ? 0.6801 0.6489 0.7533 -0.0262 0.0203 0.0904 211 LYS A CD 1629 C CE . LYS A 208 ? 0.7706 0.7309 0.8396 -0.0302 0.0164 0.0856 211 LYS A CE 1630 N NZ . LYS A 208 ? 0.7499 0.7192 0.8218 -0.0359 0.0163 0.0864 211 LYS A NZ 1631 N N . ARG A 209 ? 0.6759 0.6027 0.7269 -0.0074 0.0170 0.0809 212 ARG A N 1632 C CA . ARG A 209 ? 0.6174 0.5319 0.6549 -0.0069 0.0153 0.0767 212 ARG A CA 1633 C C . ARG A 209 ? 0.5293 0.4384 0.5656 -0.0126 0.0103 0.0737 212 ARG A C 1634 O O . ARG A 209 ? 0.6702 0.5771 0.7156 -0.0141 0.0061 0.0719 212 ARG A O 1635 C CB . ARG A 209 ? 0.6839 0.5816 0.7152 -0.0001 0.0120 0.0726 212 ARG A CB 1636 C CG . ARG A 209 ? 0.7116 0.5950 0.7258 0.0017 0.0102 0.0684 212 ARG A CG 1637 C CD . ARG A 209 ? 0.7766 0.6449 0.7833 0.0096 0.0080 0.0647 212 ARG A CD 1638 N NE . ARG A 209 ? 0.8389 0.6913 0.8271 0.0115 0.0056 0.0604 212 ARG A NE 1639 C CZ . ARG A 209 ? 0.8954 0.7323 0.8783 0.0104 -0.0028 0.0556 212 ARG A CZ 1640 N NH1 . ARG A 209 ? 0.9406 0.7782 0.9376 0.0073 -0.0088 0.0541 212 ARG A NH1 1641 N NH2 . ARG A 209 ? 0.8936 0.7150 0.8573 0.0127 -0.0052 0.0521 212 ARG A NH2 1642 N N . SER A 210 ? 0.3968 0.3036 0.4217 -0.0156 0.0110 0.0732 213 SER A N 1643 C CA . SER A 210 ? 0.4025 0.3028 0.4243 -0.0202 0.0059 0.0703 213 SER A CA 1644 C C . SER A 210 ? 0.4598 0.3423 0.4634 -0.0188 0.0027 0.0668 213 SER A C 1645 O O . SER A 210 ? 0.4708 0.3510 0.4631 -0.0169 0.0071 0.0682 213 SER A O 1646 C CB . SER A 210 ? 0.4909 0.4048 0.5153 -0.0269 0.0092 0.0739 213 SER A CB 1647 O OG . SER A 210 ? 0.5850 0.4924 0.6074 -0.0305 0.0038 0.0707 213 SER A OG 1648 N N . THR A 211 ? 0.6486 0.5186 0.6492 -0.0193 -0.0050 0.0621 214 THR A N 1649 C CA . THR A 211 ? 0.6375 0.4881 0.6191 -0.0176 -0.0098 0.0586 214 THR A CA 1650 C C . THR A 211 ? 0.6243 0.4704 0.5985 -0.0227 -0.0129 0.0581 214 THR A C 1651 O O . THR A 211 ? 0.7452 0.6006 0.7312 -0.0260 -0.0140 0.0581 214 THR A O 1652 C CB . THR A 211 ? 0.6725 0.5083 0.6549 -0.0122 -0.0186 0.0523 214 THR A CB 1653 O OG1 . THR A 211 ? 0.8351 0.6764 0.8341 -0.0137 -0.0236 0.0495 214 THR A OG1 1654 C CG2 . THR A 211 ? 0.5321 0.3678 0.5181 -0.0070 -0.0163 0.0523 214 THR A CG2 1655 N N . PRO A 212 ? 0.5349 0.3655 0.4881 -0.0233 -0.0142 0.0578 215 PRO A N 1656 C CA . PRO A 212 ? 0.4679 0.2899 0.4121 -0.0277 -0.0187 0.0570 215 PRO A CA 1657 C C . PRO A 212 ? 0.6225 0.4340 0.5712 -0.0239 -0.0297 0.0504 215 PRO A C 1658 O O . PRO A 212 ? 0.7795 0.5803 0.7265 -0.0181 -0.0355 0.0460 215 PRO A O 1659 C CB . PRO A 212 ? 0.4924 0.2974 0.4110 -0.0285 -0.0175 0.0584 215 PRO A CB 1660 C CG . PRO A 212 ? 0.6431 0.4415 0.5568 -0.0218 -0.0171 0.0566 215 PRO A CG 1661 C CD . PRO A 212 ? 0.6912 0.5101 0.6266 -0.0200 -0.0116 0.0581 215 PRO A CD 1662 N N . GLU A 213 ? 0.5651 0.3802 0.5202 -0.0268 -0.0328 0.0491 216 GLU A N 1663 C CA . GLU A 213 ? 0.6544 0.4618 0.6153 -0.0228 -0.0431 0.0423 216 GLU A CA 1664 C C . GLU A 213 ? 0.7046 0.4933 0.6468 -0.0236 -0.0499 0.0404 216 GLU A C 1665 O O . GLU A 213 ? 0.9179 0.7098 0.8601 -0.0278 -0.0494 0.0414 216 GLU A O 1666 C CB . GLU A 213 ? 0.8450 0.6715 0.8293 -0.0241 -0.0417 0.0411 216 GLU A CB 1667 C CG . GLU A 213 ? 0.9506 0.7937 0.9520 -0.0238 -0.0352 0.0437 216 GLU A CG 1668 C CD . GLU A 213 ? 1.0186 0.8789 1.0407 -0.0255 -0.0334 0.0430 216 GLU A CD 1669 O OE1 . GLU A 213 ? 1.0769 0.9373 1.1010 -0.0262 -0.0371 0.0397 216 GLU A OE1 1670 O OE2 . GLU A 213 ? 1.0430 0.9160 1.0785 -0.0259 -0.0282 0.0457 216 GLU A OE2 1671 N N . ILE A 214 ? 0.6964 0.4638 0.6210 -0.0193 -0.0568 0.0376 217 ILE A N 1672 C CA . ILE A 214 ? 0.7634 0.5087 0.6658 -0.0195 -0.0639 0.0364 217 ILE A CA 1673 C C . ILE A 214 ? 0.7940 0.5326 0.7035 -0.0141 -0.0760 0.0287 217 ILE A C 1674 O O . ILE A 214 ? 0.9237 0.6573 0.8388 -0.0074 -0.0840 0.0229 217 ILE A O 1675 C CB . ILE A 214 ? 0.7578 0.4813 0.6348 -0.0171 -0.0660 0.0372 217 ILE A CB 1676 C CG1 . ILE A 214 ? 0.7719 0.5060 0.6478 -0.0197 -0.0540 0.0428 217 ILE A CG1 1677 C CG2 . ILE A 214 ? 0.4496 0.1507 0.2999 -0.0202 -0.0697 0.0391 217 ILE A CG2 1678 C CD1 . ILE A 214 ? 0.8084 0.5228 0.6599 -0.0165 -0.0547 0.0431 217 ILE A CD1 1679 N N . ALA A 215 ? 0.4674 0.2067 0.3776 -0.0167 -0.0777 0.0282 218 ALA A N 1680 C CA . ALA A 215 ? 0.5621 0.2951 0.4780 -0.0108 -0.0891 0.0205 218 ALA A CA 1681 C C . ALA A 215 ? 0.6368 0.3613 0.5418 -0.0141 -0.0911 0.0211 218 ALA A C 1682 O O . ALA A 215 ? 0.5843 0.3157 0.4859 -0.0220 -0.0824 0.0272 218 ALA A O 1683 C CB . ALA A 215 ? 0.5948 0.3510 0.5415 -0.0080 -0.0883 0.0159 218 ALA A CB 1684 N N . THR A 216 ? 0.8002 0.5164 0.7020 -0.0076 -0.1014 0.0140 219 THR A N 1685 C CA . THR A 216 ? 0.7686 0.4760 0.6587 -0.0093 -0.1044 0.0134 219 THR A CA 1686 C C . THR A 216 ? 0.8026 0.5223 0.7127 -0.0095 -0.1040 0.0104 219 THR A C 1687 O O . THR A 216 ? 0.9536 0.6826 0.8834 -0.0026 -0.1091 0.0033 219 THR A O 1688 C CB . THR A 216 ? 0.7737 0.4660 0.6495 -0.0016 -0.1162 0.0073 219 THR A CB 1689 O OG1 . THR A 216 ? 0.8994 0.5829 0.7624 0.0009 -0.1186 0.0079 219 THR A OG1 1690 C CG2 . THR A 216 ? 0.7762 0.4535 0.6302 -0.0055 -0.1178 0.0096 219 THR A CG2 1691 N N . ARG A 217 ? 0.7214 0.4443 0.6272 -0.0175 -0.0973 0.0155 220 ARG A N 1692 C CA . ARG A 217 ? 0.5468 0.2889 0.4707 -0.0182 -0.0938 0.0129 220 ARG A CA 1693 C C . ARG A 217 ? 0.6297 0.3556 0.5377 -0.0199 -0.0988 0.0116 220 ARG A C 1694 O O . ARG A 217 ? 0.7677 0.4725 0.6514 -0.0238 -0.1012 0.0154 220 ARG A O 1695 C CB . ARG A 217 ? 0.4780 0.2441 0.4143 -0.0261 -0.0804 0.0198 220 ARG A CB 1696 C CG . ARG A 217 ? 0.4854 0.2644 0.4341 -0.0250 -0.0752 0.0220 220 ARG A CG 1697 C CD . ARG A 217 ? 0.4753 0.2743 0.4322 -0.0325 -0.0629 0.0295 220 ARG A CD 1698 N NE . ARG A 217 ? 0.6152 0.4198 0.5769 -0.0316 -0.0585 0.0324 220 ARG A NE 1699 C CZ . ARG A 217 ? 0.6396 0.4334 0.5851 -0.0340 -0.0563 0.0371 220 ARG A CZ 1700 N NH1 . ARG A 217 ? 0.5896 0.3668 0.5134 -0.0385 -0.0576 0.0400 220 ARG A NH1 1701 N NH2 . ARG A 217 ? 0.6742 0.4732 0.6245 -0.0321 -0.0526 0.0389 220 ARG A NH2 1702 N N . PRO A 218 ? 0.5691 0.3060 0.4902 -0.0170 -0.0997 0.0061 221 PRO A N 1703 C CA . PRO A 218 ? 0.6313 0.3540 0.5382 -0.0188 -0.1038 0.0046 221 PRO A CA 1704 C C . PRO A 218 ? 0.6855 0.4045 0.5775 -0.0313 -0.0967 0.0137 221 PRO A C 1705 O O . PRO A 218 ? 0.6784 0.4156 0.5792 -0.0378 -0.0865 0.0201 221 PRO A O 1706 C CB . PRO A 218 ? 0.6435 0.3884 0.5721 -0.0151 -0.1010 -0.0013 221 PRO A CB 1707 C CG . PRO A 218 ? 0.5482 0.3087 0.4988 -0.0073 -0.1017 -0.0063 221 PRO A CG 1708 C CD . PRO A 218 ? 0.6062 0.3675 0.5553 -0.0109 -0.0977 0.0002 221 PRO A CD 1709 N N . LYS A 219 ? 0.7640 0.4593 0.6340 -0.0347 -0.1025 0.0141 222 LYS A N 1710 C CA . LYS A 219 ? 0.7732 0.4653 0.6289 -0.0471 -0.0961 0.0225 222 LYS A CA 1711 C C . LYS A 219 ? 0.7380 0.4464 0.6034 -0.0541 -0.0901 0.0239 222 LYS A C 1712 O O . LYS A 219 ? 0.7942 0.4996 0.6603 -0.0508 -0.0949 0.0180 222 LYS A O 1713 C CB . LYS A 219 ? 0.8835 0.5545 0.7142 -0.0477 -0.1020 0.0225 222 LYS A CB 1714 C CG . LYS A 219 ? 0.9713 0.6330 0.7881 -0.0466 -0.1023 0.0255 222 LYS A CG 1715 C CD . LYS A 219 ? 1.0520 0.7122 0.8754 -0.0339 -0.1096 0.0190 222 LYS A CD 1716 C CE . LYS A 219 ? 1.0573 0.7114 0.8694 -0.0337 -0.1084 0.0224 222 LYS A CE 1717 N NZ . LYS A 219 ? 1.0413 0.6994 0.8650 -0.0226 -0.1141 0.0165 222 LYS A NZ 1718 N N . VAL A 220 ? 0.7598 0.4878 0.6334 -0.0626 -0.0795 0.0313 223 VAL A N 1719 C CA . VAL A 220 ? 0.7829 0.5276 0.6638 -0.0702 -0.0735 0.0338 223 VAL A CA 1720 C C . VAL A 220 ? 0.7891 0.5263 0.6550 -0.0833 -0.0698 0.0420 223 VAL A C 1721 O O . VAL A 220 ? 0.7545 0.4971 0.6201 -0.0873 -0.0635 0.0481 223 VAL A O 1722 C CB . VAL A 220 ? 0.6945 0.4716 0.6000 -0.0689 -0.0642 0.0354 223 VAL A CB 1723 C CG1 . VAL A 220 ? 0.6637 0.4566 0.5745 -0.0768 -0.0590 0.0383 223 VAL A CG1 1724 C CG2 . VAL A 220 ? 0.5105 0.2965 0.4321 -0.0574 -0.0668 0.0276 223 VAL A CG2 1725 N N . ASN A 221 ? 0.8259 0.5510 0.6797 -0.0900 -0.0735 0.0417 224 ASN A N 1726 C CA . ASN A 221 ? 0.8402 0.5610 0.6804 -0.1007 -0.0704 0.0475 224 ASN A CA 1727 C C . ASN A 221 ? 0.8727 0.5795 0.6978 -0.0985 -0.0711 0.0490 224 ASN A C 1728 O O . ASN A 221 ? 0.8970 0.6089 0.7174 -0.1061 -0.0644 0.0548 224 ASN A O 1729 C CB . ASN A 221 ? 0.7842 0.5309 0.6377 -0.1104 -0.0599 0.0545 224 ASN A CB 1730 C CG . ASN A 221 ? 0.8025 0.5615 0.6663 -0.1147 -0.0600 0.0535 224 ASN A CG 1731 O OD1 . ASN A 221 ? 0.9364 0.6834 0.7941 -0.1122 -0.0672 0.0476 224 ASN A OD1 1732 N ND2 . ASN A 221 ? 0.7919 0.5790 0.6725 -0.1187 -0.0515 0.0579 224 ASN A ND2 1733 N N . GLY A 222 ? 0.9008 0.5908 0.7190 -0.0877 -0.0794 0.0433 225 GLY A N 1734 C CA . GLY A 222 ? 0.9172 0.5909 0.7182 -0.0848 -0.0821 0.0439 225 GLY A CA 1735 C C . GLY A 222 ? 0.7528 0.4336 0.5600 -0.0804 -0.0778 0.0458 225 GLY A C 1736 O O . GLY A 222 ? 0.6996 0.3658 0.4936 -0.0750 -0.0821 0.0444 225 GLY A O 1737 N N . LEU A 223 ? 0.6302 0.3328 0.4565 -0.0824 -0.0699 0.0488 226 LEU A N 1738 C CA . LEU A 223 ? 0.5833 0.2933 0.4159 -0.0787 -0.0654 0.0509 226 LEU A CA 1739 C C . LEU A 223 ? 0.5725 0.2853 0.4200 -0.0678 -0.0705 0.0452 226 LEU A C 1740 O O . LEU A 223 ? 0.6311 0.3532 0.4933 -0.0657 -0.0721 0.0418 226 LEU A O 1741 C CB . LEU A 223 ? 0.5449 0.2777 0.3894 -0.0870 -0.0534 0.0581 226 LEU A CB 1742 C CG . LEU A 223 ? 0.6317 0.3671 0.4665 -0.0981 -0.0471 0.0635 226 LEU A CG 1743 C CD1 . LEU A 223 ? 0.4143 0.1768 0.2654 -0.1044 -0.0359 0.0693 226 LEU A CD1 1744 C CD2 . LEU A 223 ? 0.5963 0.3136 0.4099 -0.0981 -0.0477 0.0646 226 LEU A CD2 1745 N N . GLY A 224 ? 0.7026 0.4091 0.5468 -0.0607 -0.0728 0.0436 227 GLY A N 1746 C CA . GLY A 224 ? 0.8013 0.5132 0.6619 -0.0510 -0.0769 0.0383 227 GLY A CA 1747 C C . GLY A 224 ? 0.7876 0.5216 0.6641 -0.0521 -0.0672 0.0424 227 GLY A C 1748 O O . GLY A 224 ? 0.8254 0.5735 0.7210 -0.0452 -0.0674 0.0384 227 GLY A O 1749 N N . SER A 225 ? 0.6859 0.4241 0.5552 -0.0608 -0.0584 0.0500 228 SER A N 1750 C CA . SER A 225 ? 0.6835 0.4438 0.5672 -0.0615 -0.0485 0.0539 228 SER A CA 1751 C C . SER A 225 ? 0.6385 0.4258 0.5431 -0.0651 -0.0418 0.0555 228 SER A C 1752 O O . SER A 225 ? 0.7763 0.5644 0.6818 -0.0684 -0.0440 0.0543 228 SER A O 1753 C CB . SER A 225 ? 0.7648 0.5193 0.6322 -0.0683 -0.0416 0.0609 228 SER A CB 1754 O OG . SER A 225 ? 0.8073 0.5597 0.6651 -0.0789 -0.0385 0.0655 228 SER A OG 1755 N N . ARG A 226 ? 0.4409 0.2489 0.3611 -0.0640 -0.0342 0.0581 229 ARG A N 1756 C CA . ARG A 226 ? 0.3384 0.1714 0.2778 -0.0665 -0.0283 0.0600 229 ARG A CA 1757 C C . ARG A 226 ? 0.4205 0.2706 0.3657 -0.0702 -0.0185 0.0665 229 ARG A C 1758 O O . ARG A 226 ? 0.4832 0.3282 0.4215 -0.0686 -0.0158 0.0683 229 ARG A O 1759 C CB . ARG A 226 ? 0.4134 0.2570 0.3714 -0.0588 -0.0303 0.0551 229 ARG A CB 1760 C CG . ARG A 226 ? 0.4464 0.2772 0.4029 -0.0535 -0.0397 0.0476 229 ARG A CG 1761 C CD . ARG A 226 ? 0.3741 0.2063 0.3295 -0.0572 -0.0413 0.0462 229 ARG A CD 1762 N NE . ARG A 226 ? 0.4709 0.2939 0.4275 -0.0506 -0.0497 0.0382 229 ARG A NE 1763 C CZ . ARG A 226 ? 0.6220 0.4226 0.5619 -0.0496 -0.0579 0.0348 229 ARG A CZ 1764 N NH1 . ARG A 226 ? 0.6337 0.4179 0.5533 -0.0560 -0.0585 0.0394 229 ARG A NH1 1765 N NH2 . ARG A 226 ? 0.7360 0.5305 0.6793 -0.0422 -0.0656 0.0269 229 ARG A NH2 1766 N N . MET A 227 ? 0.4514 0.3216 0.4089 -0.0745 -0.0135 0.0694 230 MET A N 1767 C CA . MET A 227 ? 0.3894 0.2790 0.3566 -0.0760 -0.0050 0.0747 230 MET A CA 1768 C C . MET A 227 ? 0.4469 0.3566 0.4336 -0.0728 -0.0028 0.0748 230 MET A C 1769 O O . MET A 227 ? 0.5228 0.4417 0.5150 -0.0763 -0.0031 0.0750 230 MET A O 1770 C CB . MET A 227 ? 0.4835 0.3790 0.4448 -0.0858 -0.0004 0.0799 230 MET A CB 1771 C CG . MET A 227 ? 0.5555 0.4345 0.4981 -0.0894 0.0007 0.0818 230 MET A CG 1772 S SD . MET A 227 ? 0.6891 0.5825 0.6303 -0.1004 0.0097 0.0887 230 MET A SD 1773 C CE . MET A 227 ? 0.8163 0.6842 0.7318 -0.1030 0.0104 0.0900 230 MET A CE 1774 N N . GLU A 228 ? 0.4390 0.3538 0.4346 -0.0663 -0.0006 0.0747 231 GLU A N 1775 C CA . GLU A 228 ? 0.4312 0.3618 0.4435 -0.0629 0.0015 0.0751 231 GLU A CA 1776 C C . GLU A 228 ? 0.4381 0.3867 0.4581 -0.0641 0.0083 0.0808 231 GLU A C 1777 O O . GLU A 228 ? 0.5087 0.4575 0.5267 -0.0618 0.0119 0.0828 231 GLU A O 1778 C CB . GLU A 228 ? 0.4647 0.3887 0.4825 -0.0555 -0.0011 0.0714 231 GLU A CB 1779 C CG . GLU A 228 ? 0.5660 0.5039 0.5995 -0.0522 0.0021 0.0729 231 GLU A CG 1780 C CD . GLU A 228 ? 0.7618 0.6918 0.7998 -0.0460 -0.0004 0.0695 231 GLU A CD 1781 O OE1 . GLU A 228 ? 0.9210 0.8397 0.9571 -0.0441 -0.0063 0.0640 231 GLU A OE1 1782 O OE2 . GLU A 228 ? 0.7436 0.6782 0.7870 -0.0429 0.0029 0.0721 231 GLU A OE2 1783 N N . PHE A 229 ? 0.3304 0.2940 0.3586 -0.0671 0.0098 0.0831 232 PHE A N 1784 C CA . PHE A 229 ? 0.3608 0.3426 0.3970 -0.0678 0.0151 0.0883 232 PHE A CA 1785 C C . PHE A 229 ? 0.3976 0.3894 0.4462 -0.0623 0.0166 0.0897 232 PHE A C 1786 O O . PHE A 229 ? 0.4280 0.4186 0.4806 -0.0611 0.0143 0.0876 232 PHE A O 1787 C CB . PHE A 229 ? 0.2860 0.2781 0.3218 -0.0756 0.0152 0.0905 232 PHE A CB 1788 C CG . PHE A 229 ? 0.2951 0.2777 0.3184 -0.0826 0.0144 0.0903 232 PHE A CG 1789 C CD1 . PHE A 229 ? 0.3662 0.3548 0.3877 -0.0857 0.0193 0.0937 232 PHE A CD1 1790 C CD2 . PHE A 229 ? 0.3830 0.3503 0.3961 -0.0860 0.0090 0.0866 232 PHE A CD2 1791 C CE1 . PHE A 229 ? 0.4252 0.4043 0.4342 -0.0934 0.0192 0.0941 232 PHE A CE1 1792 C CE2 . PHE A 229 ? 0.4325 0.3883 0.4324 -0.0930 0.0079 0.0869 232 PHE A CE2 1793 C CZ . PHE A 229 ? 0.4088 0.3703 0.4064 -0.0973 0.0132 0.0910 232 PHE A CZ 1794 N N . SER A 230 ? 0.3715 0.3728 0.4256 -0.0588 0.0207 0.0933 233 SER A N 1795 C CA . SER A 230 ? 0.3865 0.3969 0.4509 -0.0539 0.0220 0.0958 233 SER A CA 1796 C C . SER A 230 ? 0.5404 0.5687 0.6105 -0.0546 0.0251 0.1005 233 SER A C 1797 O O . SER A 230 ? 0.6527 0.6868 0.7203 -0.0582 0.0270 0.1015 233 SER A O 1798 C CB . SER A 230 ? 0.3882 0.3898 0.4540 -0.0469 0.0227 0.0948 233 SER A CB 1799 O OG . SER A 230 ? 0.4772 0.4629 0.5386 -0.0463 0.0191 0.0899 233 SER A OG 1800 N N . TRP A 231 ? 0.5686 0.6059 0.6464 -0.0511 0.0254 0.1035 234 TRP A N 1801 C CA . TRP A 231 ? 0.4728 0.5279 0.5570 -0.0506 0.0270 0.1078 234 TRP A CA 1802 C C . TRP A 231 ? 0.3782 0.4365 0.4686 -0.0427 0.0278 0.1109 234 TRP A C 1803 O O . TRP A 231 ? 0.4397 0.4866 0.5297 -0.0391 0.0273 0.1101 234 TRP A O 1804 C CB . TRP A 231 ? 0.3995 0.4639 0.4841 -0.0566 0.0244 0.1088 234 TRP A CB 1805 C CG . TRP A 231 ? 0.4256 0.4860 0.5100 -0.0558 0.0223 0.1089 234 TRP A CG 1806 C CD1 . TRP A 231 ? 0.4451 0.4935 0.5248 -0.0577 0.0209 0.1052 234 TRP A CD1 1807 C CD2 . TRP A 231 ? 0.3426 0.4112 0.4310 -0.0526 0.0218 0.1129 234 TRP A CD2 1808 N NE1 . TRP A 231 ? 0.3427 0.3926 0.4240 -0.0565 0.0206 0.1066 234 TRP A NE1 1809 C CE2 . TRP A 231 ? 0.3908 0.4518 0.4761 -0.0536 0.0210 0.1117 234 TRP A CE2 1810 C CE3 . TRP A 231 ? 0.3452 0.4268 0.4393 -0.0487 0.0218 0.1174 234 TRP A CE3 1811 C CZ2 . TRP A 231 ? 0.4183 0.4831 0.5042 -0.0516 0.0209 0.1153 234 TRP A CZ2 1812 C CZ3 . TRP A 231 ? 0.4246 0.5086 0.5188 -0.0461 0.0204 0.1209 234 TRP A CZ3 1813 C CH2 . TRP A 231 ? 0.4683 0.5434 0.5576 -0.0479 0.0203 0.1201 234 TRP A CH2 1814 N N . THR A 232 ? 0.2900 0.3638 0.3866 -0.0400 0.0288 0.1143 235 THR A N 1815 C CA . THR A 232 ? 0.4496 0.5260 0.5513 -0.0319 0.0288 0.1176 235 THR A CA 1816 C C . THR A 232 ? 0.4791 0.5750 0.5877 -0.0304 0.0278 0.1212 235 THR A C 1817 O O . THR A 232 ? 0.4666 0.5756 0.5780 -0.0356 0.0280 0.1208 235 THR A O 1818 C CB . THR A 232 ? 0.4097 0.4787 0.5113 -0.0244 0.0314 0.1163 235 THR A CB 1819 O OG1 . THR A 232 ? 0.3882 0.4564 0.4933 -0.0163 0.0306 0.1194 235 THR A OG1 1820 C CG2 . THR A 232 ? 0.3061 0.3870 0.4099 -0.0241 0.0349 0.1155 235 THR A CG2 1821 N N . LEU A 233 ? 0.3579 0.4551 0.4694 -0.0236 0.0262 0.1247 236 LEU A N 1822 C CA . LEU A 233 ? 0.3181 0.4331 0.4367 -0.0197 0.0243 0.1280 236 LEU A CA 1823 C C . LEU A 233 ? 0.3908 0.5085 0.5146 -0.0095 0.0261 0.1284 236 LEU A C 1824 O O . LEU A 233 ? 0.6106 0.7163 0.7320 -0.0023 0.0254 0.1300 236 LEU A O 1825 C CB . LEU A 233 ? 0.3082 0.4223 0.4244 -0.0186 0.0200 0.1321 236 LEU A CB 1826 C CG . LEU A 233 ? 0.3186 0.4370 0.4309 -0.0271 0.0173 0.1321 236 LEU A CG 1827 C CD1 . LEU A 233 ? 0.1986 0.3216 0.3093 -0.0238 0.0129 0.1368 236 LEU A CD1 1828 C CD2 . LEU A 233 ? 0.5432 0.6765 0.6601 -0.0337 0.0171 0.1297 236 LEU A CD2 1829 N N . LEU A 234 ? 0.1993 0.3327 0.3300 -0.0089 0.0288 0.1269 237 LEU A N 1830 C CA . LEU A 234 ? 0.2601 0.3991 0.3966 0.0016 0.0312 0.1266 237 LEU A CA 1831 C C . LEU A 234 ? 0.3994 0.5530 0.5440 0.0089 0.0269 0.1300 237 LEU A C 1832 O O . LEU A 234 ? 0.5127 0.6858 0.6648 0.0052 0.0248 0.1310 237 LEU A O 1833 C CB . LEU A 234 ? 0.1983 0.3498 0.3390 -0.0008 0.0368 0.1234 237 LEU A CB 1834 C CG . LEU A 234 ? 0.2044 0.3620 0.3501 0.0100 0.0410 0.1218 237 LEU A CG 1835 C CD1 . LEU A 234 ? 0.3697 0.5032 0.5053 0.0159 0.0424 0.1196 237 LEU A CD1 1836 C CD2 . LEU A 234 ? 0.7210 0.8964 0.8723 0.0055 0.0472 0.1195 237 LEU A CD2 1837 N N . ASP A 235 ? 0.5492 0.6925 0.6919 0.0194 0.0250 0.1318 238 ASP A N 1838 C CA . ASP A 235 ? 0.6559 0.8091 0.8041 0.0279 0.0198 0.1354 238 ASP A CA 1839 C C . ASP A 235 ? 0.7385 0.9167 0.9005 0.0342 0.0213 0.1335 238 ASP A C 1840 O O . ASP A 235 ? 0.7527 0.9386 0.9188 0.0324 0.0274 0.1298 238 ASP A O 1841 C CB . ASP A 235 ? 0.7307 0.8635 0.8720 0.0377 0.0175 0.1377 238 ASP A CB 1842 C CG . ASP A 235 ? 0.9217 1.0303 1.0512 0.0312 0.0176 0.1388 238 ASP A CG 1843 O OD1 . ASP A 235 ? 0.9638 1.0681 1.0883 0.0273 0.0140 0.1427 238 ASP A OD1 1844 O OD2 . ASP A 235 ? 0.9807 1.0753 1.1061 0.0301 0.0212 0.1356 238 ASP A OD2 1845 N N . MET A 236 ? 0.7589 0.9502 0.9281 0.0417 0.0157 0.1362 239 MET A N 1846 C CA . MET A 236 ? 0.6403 0.8574 0.8248 0.0492 0.0164 0.1342 239 MET A CA 1847 C C . MET A 236 ? 0.6546 0.8651 0.8396 0.0620 0.0204 0.1315 239 MET A C 1848 O O . MET A 236 ? 0.7528 0.9393 0.9272 0.0686 0.0185 0.1328 239 MET A O 1849 C CB . MET A 236 ? 0.5851 0.8167 0.7767 0.0549 0.0078 0.1375 239 MET A CB 1850 C CG . MET A 236 ? 0.5347 0.7777 0.7277 0.0428 0.0037 0.1391 239 MET A CG 1851 S SD . MET A 236 ? 1.0991 1.3522 1.2950 0.0498 -0.0082 0.1434 239 MET A SD 1852 C CE . MET A 236 ? 0.6556 0.8731 0.8288 0.0503 -0.0115 0.1487 239 MET A CE 1853 N N . TRP A 237 ? 0.5502 0.7818 0.7472 0.0649 0.0261 0.1275 240 TRP A N 1854 C CA . TRP A 237 ? 0.5681 0.7968 0.7660 0.0774 0.0309 0.1238 240 TRP A CA 1855 C C . TRP A 237 ? 0.6012 0.8012 0.7834 0.0757 0.0353 0.1219 240 TRP A C 1856 O O . TRP A 237 ? 0.7532 0.9425 0.9316 0.0870 0.0373 0.1192 240 TRP A O 1857 C CB . TRP A 237 ? 0.6173 0.8451 0.8185 0.0941 0.0243 0.1252 240 TRP A CB 1858 C CG . TRP A 237 ? 0.7214 0.9677 0.9326 0.0951 0.0162 0.1286 240 TRP A CG 1859 C CD1 . TRP A 237 ? 0.8221 1.0547 1.0257 0.0987 0.0069 0.1337 240 TRP A CD1 1860 C CD2 . TRP A 237 ? 0.6155 0.8967 0.8451 0.0919 0.0162 0.1273 240 TRP A CD2 1861 N NE1 . TRP A 237 ? 0.7931 1.0494 1.0083 0.0988 0.0005 0.1354 240 TRP A NE1 1862 C CE2 . TRP A 237 ? 0.6571 0.9440 0.8895 0.0945 0.0057 0.1314 240 TRP A CE2 1863 C CE3 . TRP A 237 ? 0.4620 0.7701 0.7059 0.0866 0.0240 0.1232 240 TRP A CE3 1864 C CZ2 . TRP A 237 ? 0.6779 0.9968 0.9277 0.0923 0.0019 0.1309 240 TRP A CZ2 1865 C CZ3 . TRP A 237 ? 0.4978 0.8384 0.7600 0.0835 0.0210 0.1231 240 TRP A CZ3 1866 C CH2 . TRP A 237 ? 0.6478 0.9938 0.9134 0.0865 0.0096 0.1266 240 TRP A CH2 1867 N N . ASP A 238 ? 0.4190 0.6065 0.5921 0.0621 0.0363 0.1228 241 ASP A N 1868 C CA . ASP A 238 ? 0.4012 0.5622 0.5602 0.0596 0.0393 0.1207 241 ASP A CA 1869 C C . ASP A 238 ? 0.4011 0.5671 0.5582 0.0505 0.0468 0.1172 241 ASP A C 1870 O O . ASP A 238 ? 0.4449 0.6290 0.6086 0.0407 0.0485 0.1178 241 ASP A O 1871 C CB . ASP A 238 ? 0.5284 0.6676 0.6770 0.0525 0.0342 0.1241 241 ASP A CB 1872 C CG . ASP A 238 ? 0.6567 0.7688 0.7927 0.0512 0.0358 0.1218 241 ASP A CG 1873 O OD1 . ASP A 238 ? 0.7011 0.8062 0.8343 0.0596 0.0388 0.1182 241 ASP A OD1 1874 O OD2 . ASP A 238 ? 0.6581 0.7563 0.7872 0.0421 0.0339 0.1231 241 ASP A OD2 1875 N N . THR A 239 ? 0.4585 0.6071 0.6055 0.0535 0.0508 0.1137 242 THR A N 1876 C CA . THR A 239 ? 0.5010 0.6510 0.6431 0.0461 0.0579 0.1105 242 THR A CA 1877 C C . THR A 239 ? 0.5412 0.6678 0.6700 0.0360 0.0561 0.1103 242 THR A C 1878 O O . THR A 239 ? 0.6075 0.7137 0.7300 0.0378 0.0509 0.1112 242 THR A O 1879 C CB . THR A 239 ? 0.5651 0.7121 0.7032 0.0569 0.0640 0.1059 242 THR A CB 1880 O OG1 . THR A 239 ? 0.6509 0.8146 0.8009 0.0699 0.0638 0.1057 242 THR A OG1 1881 C CG2 . THR A 239 ? 0.5743 0.7316 0.7101 0.0498 0.0728 0.1034 242 THR A CG2 1882 N N . ILE A 240 ? 0.5361 0.6659 0.6612 0.0252 0.0600 0.1093 243 ILE A N 1883 C CA . ILE A 240 ? 0.5070 0.6150 0.6193 0.0168 0.0583 0.1083 243 ILE A CA 1884 C C . ILE A 240 ? 0.6601 0.7590 0.7613 0.0175 0.0642 0.1043 243 ILE A C 1885 O O . ILE A 240 ? 0.7737 0.8885 0.8783 0.0191 0.0709 0.1033 243 ILE A O 1886 C CB . ILE A 240 ? 0.3928 0.5079 0.5068 0.0033 0.0564 0.1104 243 ILE A CB 1887 C CG1 . ILE A 240 ? 0.3127 0.4046 0.4145 -0.0037 0.0532 0.1090 243 ILE A CG1 1888 C CG2 . ILE A 240 ? 0.2285 0.3631 0.3465 -0.0034 0.0625 0.1102 243 ILE A CG2 1889 C CD1 . ILE A 240 ? 0.2194 0.3154 0.3222 -0.0151 0.0501 0.1108 243 ILE A CD1 1890 N N . ASN A 241 ? 0.6571 0.7309 0.7452 0.0166 0.0617 0.1019 244 ASN A N 1891 C CA . ASN A 241 ? 0.5713 0.6334 0.6461 0.0178 0.0663 0.0981 244 ASN A CA 1892 C C . ASN A 241 ? 0.6016 0.6460 0.6636 0.0081 0.0640 0.0969 244 ASN A C 1893 O O . ASN A 241 ? 0.7786 0.8035 0.8353 0.0082 0.0579 0.0954 244 ASN A O 1894 C CB . ASN A 241 ? 0.6233 0.6697 0.6921 0.0303 0.0654 0.0947 244 ASN A CB 1895 C CG . ASN A 241 ? 0.7451 0.8079 0.8206 0.0410 0.0711 0.0939 244 ASN A CG 1896 O OD1 . ASN A 241 ? 0.8442 0.9094 0.9127 0.0440 0.0780 0.0910 244 ASN A OD1 1897 N ND2 . ASN A 241 ? 0.7603 0.8341 0.8486 0.0474 0.0682 0.0962 244 ASN A ND2 1898 N N . PHE A 242 ? 0.4809 0.5322 0.5382 -0.0002 0.0688 0.0973 245 PHE A N 1899 C CA . PHE A 242 ? 0.4558 0.4884 0.4983 -0.0081 0.0667 0.0959 245 PHE A CA 1900 C C . PHE A 242 ? 0.4985 0.5151 0.5243 -0.0031 0.0702 0.0922 245 PHE A C 1901 O O . PHE A 242 ? 0.6373 0.6643 0.6622 0.0014 0.0778 0.0917 245 PHE A O 1902 C CB . PHE A 242 ? 0.2587 0.3025 0.3017 -0.0205 0.0691 0.0986 245 PHE A CB 1903 C CG . PHE A 242 ? 0.4096 0.4662 0.4661 -0.0260 0.0647 0.1015 245 PHE A CG 1904 C CD1 . PHE A 242 ? 0.4250 0.4681 0.4791 -0.0300 0.0574 0.1011 245 PHE A CD1 1905 C CD2 . PHE A 242 ? 0.4023 0.4851 0.4739 -0.0268 0.0678 0.1044 245 PHE A CD2 1906 C CE1 . PHE A 242 ? 0.4842 0.5383 0.5486 -0.0347 0.0537 0.1035 245 PHE A CE1 1907 C CE2 . PHE A 242 ? 0.4080 0.5014 0.4901 -0.0316 0.0631 0.1069 245 PHE A CE2 1908 C CZ . PHE A 242 ? 0.5217 0.6001 0.5992 -0.0356 0.0563 0.1065 245 PHE A CZ 1909 N N . GLU A 243 ? 0.4948 0.4866 0.5076 -0.0036 0.0643 0.0893 246 GLU A N 1910 C CA . GLU A 243 ? 0.5998 0.5725 0.5941 0.0011 0.0656 0.0854 246 GLU A CA 1911 C C . GLU A 243 ? 0.6589 0.6086 0.6396 -0.0044 0.0585 0.0834 246 GLU A C 1912 O O . GLU A 243 ? 0.7727 0.7122 0.7579 -0.0038 0.0504 0.0819 246 GLU A O 1913 C CB . GLU A 243 ? 0.7538 0.7180 0.7488 0.0135 0.0635 0.0821 246 GLU A CB 1914 C CG . GLU A 243 ? 1.0361 0.9770 1.0109 0.0191 0.0627 0.0772 246 GLU A CG 1915 C CD . GLU A 243 ? 1.2389 1.1704 1.2147 0.0311 0.0598 0.0736 246 GLU A CD 1916 O OE1 . GLU A 243 ? 1.2692 1.2138 1.2608 0.0355 0.0600 0.0755 246 GLU A OE1 1917 O OE2 . GLU A 243 ? 1.2848 1.1947 1.2448 0.0361 0.0567 0.0689 246 GLU A OE2 1918 N N . SER A 244 ? 0.5624 0.5039 0.5264 -0.0098 0.0616 0.0834 247 SER A N 1919 C CA . SER A 244 ? 0.6320 0.5513 0.5822 -0.0147 0.0542 0.0816 247 SER A CA 1920 C C . SER A 244 ? 0.6766 0.5781 0.6018 -0.0156 0.0567 0.0802 247 SER A C 1921 O O . SER A 244 ? 0.5005 0.4110 0.4190 -0.0188 0.0662 0.0827 247 SER A O 1922 C CB . SER A 244 ? 0.6969 0.6236 0.6545 -0.0253 0.0516 0.0847 247 SER A CB 1923 O OG . SER A 244 ? 0.9225 0.8375 0.8624 -0.0330 0.0523 0.0856 247 SER A OG 1924 N N . THR A 245 ? 0.7891 0.6653 0.7004 -0.0128 0.0481 0.0761 248 THR A N 1925 C CA . THR A 245 ? 0.7021 0.5568 0.5867 -0.0133 0.0482 0.0746 248 THR A CA 1926 C C . THR A 245 ? 0.6338 0.4780 0.5087 -0.0231 0.0438 0.0765 248 THR A C 1927 O O . THR A 245 ? 0.6897 0.5120 0.5410 -0.0243 0.0413 0.0754 248 THR A O 1928 C CB . THR A 245 ? 0.7244 0.5555 0.5977 -0.0043 0.0395 0.0685 248 THR A CB 1929 O OG1 . THR A 245 ? 0.7680 0.5954 0.6556 -0.0038 0.0288 0.0661 248 THR A OG1 1930 C CG2 . THR A 245 ? 0.7384 0.5737 0.6133 0.0058 0.0444 0.0662 248 THR A CG2 1931 N N . GLY A 246 ? 0.6382 0.4966 0.5301 -0.0297 0.0423 0.0791 249 GLY A N 1932 C CA . GLY A 246 ? 0.6456 0.4947 0.5297 -0.0388 0.0379 0.0807 249 GLY A CA 1933 C C . GLY A 246 ? 0.6706 0.5305 0.5745 -0.0423 0.0325 0.0810 249 GLY A C 1934 O O . GLY A 246 ? 0.6746 0.5459 0.5971 -0.0373 0.0307 0.0796 249 GLY A O 1935 N N . ASN A 247 ? 0.6602 0.5153 0.5585 -0.0510 0.0300 0.0828 250 ASN A N 1936 C CA . ASN A 247 ? 0.6079 0.4689 0.5204 -0.0544 0.0239 0.0823 250 ASN A CA 1937 C C . ASN A 247 ? 0.6912 0.5801 0.6262 -0.0572 0.0291 0.0855 250 ASN A C 1938 O O . ASN A 247 ? 0.7005 0.5952 0.6465 -0.0600 0.0248 0.0851 250 ASN A O 1939 C CB . ASN A 247 ? 0.4289 0.2780 0.3460 -0.0471 0.0137 0.0767 250 ASN A CB 1940 C CG . ASN A 247 ? 0.5330 0.3542 0.4284 -0.0438 0.0066 0.0729 250 ASN A CG 1941 O OD1 . ASN A 247 ? 0.6071 0.4189 0.4917 -0.0383 0.0077 0.0715 250 ASN A OD1 1942 N ND2 . ASN A 247 ? 0.6649 0.4720 0.5532 -0.0466 -0.0015 0.0710 250 ASN A ND2 1943 N N . LEU A 248 ? 0.5463 0.4524 0.4876 -0.0559 0.0381 0.0883 251 LEU A N 1944 C CA . LEU A 248 ? 0.3833 0.3160 0.3453 -0.0577 0.0424 0.0913 251 LEU A CA 1945 C C . LEU A 248 ? 0.4322 0.3747 0.3951 -0.0693 0.0447 0.0950 251 LEU A C 1946 O O . LEU A 248 ? 0.6084 0.5465 0.5582 -0.0759 0.0493 0.0972 251 LEU A O 1947 C CB . LEU A 248 ? 0.4538 0.4023 0.4227 -0.0518 0.0507 0.0926 251 LEU A CB 1948 C CG . LEU A 248 ? 0.2856 0.2629 0.2737 -0.0542 0.0560 0.0963 251 LEU A CG 1949 C CD1 . LEU A 248 ? 0.2954 0.2805 0.3001 -0.0509 0.0504 0.0960 251 LEU A CD1 1950 C CD2 . LEU A 248 ? 0.5368 0.5283 0.5287 -0.0482 0.0648 0.0971 251 LEU A CD2 1951 N N . ILE A 249 ? 0.4218 0.3766 0.3992 -0.0720 0.0416 0.0957 252 ILE A N 1952 C CA . ILE A 249 ? 0.4987 0.4663 0.4803 -0.0825 0.0434 0.0990 252 ILE A CA 1953 C C . ILE A 249 ? 0.4745 0.4706 0.4764 -0.0809 0.0481 0.1015 252 ILE A C 1954 O O . ILE A 249 ? 0.4221 0.4263 0.4367 -0.0771 0.0444 0.1010 252 ILE A O 1955 C CB . ILE A 249 ? 0.4945 0.4529 0.4751 -0.0870 0.0352 0.0972 252 ILE A CB 1956 C CG1 . ILE A 249 ? 0.2959 0.2255 0.2580 -0.0857 0.0289 0.0937 252 ILE A CG1 1957 C CG2 . ILE A 249 ? 0.3601 0.3279 0.3418 -0.0988 0.0363 0.1002 252 ILE A CG2 1958 C CD1 . ILE A 249 ? 0.6393 0.5548 0.5817 -0.0914 0.0321 0.0956 252 ILE A CD1 1959 N N . ALA A 250 ? 0.2747 0.2859 0.2792 -0.0836 0.0564 0.1043 253 ALA A N 1960 C CA . ALA A 250 ? 0.3646 0.4025 0.3879 -0.0791 0.0610 0.1061 253 ALA A CA 1961 C C . ALA A 250 ? 0.4140 0.4729 0.4514 -0.0870 0.0600 0.1087 253 ALA A C 1962 O O . ALA A 250 ? 0.4587 0.5156 0.4907 -0.0983 0.0594 0.1099 253 ALA A O 1963 C CB . ALA A 250 ? 0.2932 0.3400 0.3147 -0.0765 0.0705 0.1069 253 ALA A CB 1964 N N . PRO A 251 ? 0.4203 0.4981 0.4748 -0.0808 0.0593 0.1094 254 PRO A N 1965 C CA . PRO A 251 ? 0.4312 0.5319 0.5003 -0.0869 0.0583 0.1117 254 PRO A CA 1966 C C . PRO A 251 ? 0.5147 0.6379 0.5923 -0.0909 0.0664 0.1138 254 PRO A C 1967 O O . PRO A 251 ? 0.5526 0.6816 0.6318 -0.0836 0.0730 0.1135 254 PRO A O 1968 C CB . PRO A 251 ? 0.4560 0.5663 0.5380 -0.0766 0.0550 0.1118 254 PRO A CB 1969 C CG . PRO A 251 ? 0.4372 0.5386 0.5156 -0.0653 0.0580 0.1103 254 PRO A CG 1970 C CD . PRO A 251 ? 0.4214 0.4978 0.4813 -0.0679 0.0581 0.1081 254 PRO A CD 1971 N N . GLU A 252 ? 0.6400 0.7743 0.7222 -0.1019 0.0656 0.1145 255 GLU A N 1972 C CA . GLU A 252 ? 0.6241 0.7817 0.7172 -0.1053 0.0721 0.1145 255 GLU A CA 1973 C C . GLU A 252 ? 0.6142 0.7979 0.7283 -0.1021 0.0685 0.1152 255 GLU A C 1974 O O . GLU A 252 ? 0.4067 0.6156 0.5360 -0.1000 0.0734 0.1156 255 GLU A O 1975 C CB . GLU A 252 ? 0.6017 0.7507 0.6852 -0.1178 0.0726 0.1122 255 GLU A CB 1976 C CG . GLU A 252 ? 0.7428 0.9126 0.8356 -0.1223 0.0811 0.1121 255 GLU A CG 1977 C CD . GLU A 252 ? 0.9102 1.0699 0.9938 -0.1350 0.0816 0.1109 255 GLU A CD 1978 O OE1 . GLU A 252 ? 0.9425 1.0784 1.0116 -0.1396 0.0748 0.1100 255 GLU A OE1 1979 O OE2 . GLU A 252 ? 0.9480 1.1238 1.0395 -0.1401 0.0888 0.1109 255 GLU A OE2 1980 N N . TYR A 253 ? 0.8025 0.9801 0.9169 -0.1013 0.0597 0.1152 256 TYR A N 1981 C CA . TYR A 253 ? 0.6806 0.8800 0.8120 -0.0989 0.0548 0.1165 256 TYR A CA 1982 C C . TYR A 253 ? 0.6211 0.8155 0.7544 -0.0887 0.0500 0.1183 256 TYR A C 1983 O O . TYR A 253 ? 0.6045 0.7746 0.7242 -0.0860 0.0478 0.1169 256 TYR A O 1984 C CB . TYR A 253 ? 0.5939 0.7925 0.7236 -0.1094 0.0480 0.1143 256 TYR A CB 1985 C CG . TYR A 253 ? 0.6513 0.8532 0.7794 -0.1198 0.0517 0.1121 256 TYR A CG 1986 C CD1 . TYR A 253 ? 0.6442 0.8730 0.7893 -0.1228 0.0532 0.1120 256 TYR A CD1 1987 C CD2 . TYR A 253 ? 0.7113 0.8893 0.8214 -0.1266 0.0536 0.1104 256 TYR A CD2 1988 C CE1 . TYR A 253 ? 0.6884 0.9202 0.8330 -0.1330 0.0571 0.1102 256 TYR A CE1 1989 C CE2 . TYR A 253 ? 0.8013 0.9809 0.9095 -0.1365 0.0573 0.1092 256 TYR A CE2 1990 C CZ . TYR A 253 ? 0.7866 0.9932 0.9124 -0.1400 0.0594 0.1092 256 TYR A CZ 1991 O OH . TYR A 253 ? 0.8383 1.0467 0.9632 -0.1503 0.0637 0.1083 256 TYR A OH 1992 N N . GLY A 254 ? 0.4502 0.6645 0.5983 -0.0819 0.0475 0.1195 257 GLY A N 1993 C CA . GLY A 254 ? 0.3894 0.5969 0.5371 -0.0724 0.0415 0.1200 257 GLY A CA 1994 C C . GLY A 254 ? 0.4182 0.6394 0.5735 -0.0763 0.0341 0.1212 257 GLY A C 1995 O O . GLY A 254 ? 0.4802 0.7183 0.6436 -0.0854 0.0335 0.1214 257 GLY A O 1996 N N . PHE A 255 ? 0.5020 0.7157 0.6543 -0.0699 0.0284 0.1221 258 PHE A N 1997 C CA . PHE A 255 ? 0.4581 0.6820 0.6145 -0.0729 0.0207 0.1232 258 PHE A CA 1998 C C . PHE A 255 ? 0.5036 0.7361 0.6669 -0.0610 0.0169 0.1256 258 PHE A C 1999 O O . PHE A 255 ? 0.5304 0.7471 0.6860 -0.0533 0.0165 0.1266 258 PHE A O 2000 C CB . PHE A 255 ? 0.2930 0.4966 0.4347 -0.0789 0.0163 0.1220 258 PHE A CB 2001 C CG . PHE A 255 ? 0.2892 0.4805 0.4218 -0.0898 0.0184 0.1195 258 PHE A CG 2002 C CD1 . PHE A 255 ? 0.3124 0.5135 0.4478 -0.1014 0.0164 0.1189 258 PHE A CD1 2003 C CD2 . PHE A 255 ? 0.3701 0.5389 0.4907 -0.0884 0.0217 0.1178 258 PHE A CD2 2004 C CE1 . PHE A 255 ? 0.3902 0.5763 0.5146 -0.1110 0.0177 0.1165 258 PHE A CE1 2005 C CE2 . PHE A 255 ? 0.3289 0.4845 0.4396 -0.0976 0.0227 0.1157 258 PHE A CE2 2006 C CZ . PHE A 255 ? 0.3455 0.5080 0.4568 -0.1084 0.0207 0.1147 258 PHE A CZ 2007 N N . LYS A 256 ? 0.4791 0.7365 0.6570 -0.0597 0.0139 0.1266 259 LYS A N 2008 C CA . LYS A 256 ? 0.4497 0.7148 0.6329 -0.0486 0.0085 0.1291 259 LYS A CA 2009 C C . LYS A 256 ? 0.4784 0.7310 0.6498 -0.0508 0.0012 0.1303 259 LYS A C 2010 O O . LYS A 256 ? 0.5493 0.8011 0.7162 -0.0614 -0.0020 0.1289 259 LYS A O 2011 C CB . LYS A 256 ? 0.4761 0.7723 0.6784 -0.0474 0.0055 0.1292 259 LYS A CB 2012 C CG . LYS A 256 ? 0.5427 0.8563 0.7585 -0.0477 0.0135 0.1275 259 LYS A CG 2013 C CD . LYS A 256 ? 0.5898 0.9368 0.8264 -0.0498 0.0101 0.1270 259 LYS A CD 2014 C CE . LYS A 256 ? 0.6485 1.0070 0.8931 -0.0370 0.0020 0.1287 259 LYS A CE 2015 N NZ . LYS A 256 ? 0.6071 1.0008 0.8748 -0.0376 -0.0015 0.1275 259 LYS A NZ 2016 N N . ILE A 257 ? 0.4258 0.6679 0.5910 -0.0410 -0.0013 0.1330 260 ILE A N 2017 C CA . ILE A 257 ? 0.4133 0.6418 0.5651 -0.0428 -0.0066 0.1344 260 ILE A CA 2018 C C . ILE A 257 ? 0.4902 0.7191 0.6402 -0.0324 -0.0122 0.1385 260 ILE A C 2019 O O . ILE A 257 ? 0.2039 0.4339 0.3590 -0.0218 -0.0109 0.1404 260 ILE A O 2020 C CB . ILE A 257 ? 0.3344 0.5375 0.4718 -0.0460 -0.0019 0.1331 260 ILE A CB 2021 C CG1 . ILE A 257 ? 0.3589 0.5523 0.4838 -0.0526 -0.0061 0.1324 260 ILE A CG1 2022 C CG2 . ILE A 257 ? 0.3740 0.5628 0.5075 -0.0360 0.0012 0.1353 260 ILE A CG2 2023 C CD1 . ILE A 257 ? 0.4454 0.6167 0.5585 -0.0552 -0.0018 0.1305 260 ILE A CD1 2024 N N . SER A 258 ? 0.6264 0.8534 0.7678 -0.0351 -0.0189 0.1397 261 SER A N 2025 C CA . SER A 258 ? 0.5169 0.7408 0.6522 -0.0264 -0.0248 0.1441 261 SER A CA 2026 C C . SER A 258 ? 0.6068 0.8150 0.7240 -0.0312 -0.0273 0.1450 261 SER A C 2027 O O . SER A 258 ? 0.6708 0.8795 0.7841 -0.0409 -0.0284 0.1417 261 SER A O 2028 C CB . SER A 258 ? 0.4165 0.6642 0.5640 -0.0226 -0.0331 0.1449 261 SER A CB 2029 O OG . SER A 258 ? 0.5449 0.8078 0.7092 -0.0154 -0.0306 0.1444 261 SER A OG 2030 N N . LYS A 259 ? 0.7285 0.9222 0.8341 -0.0246 -0.0280 0.1493 262 LYS A N 2031 C CA . LYS A 259 ? 0.7703 0.9496 0.8579 -0.0285 -0.0292 0.1504 262 LYS A CA 2032 C C . LYS A 259 ? 0.9267 1.1015 1.0040 -0.0208 -0.0351 0.1562 262 LYS A C 2033 O O . LYS A 259 ? 0.9953 1.1633 1.0726 -0.0121 -0.0342 0.1604 262 LYS A O 2034 C CB . LYS A 259 ? 0.6256 0.7852 0.7051 -0.0314 -0.0207 0.1495 262 LYS A CB 2035 C CG . LYS A 259 ? 0.4209 0.5808 0.5069 -0.0388 -0.0154 0.1438 262 LYS A CG 2036 C CD . LYS A 259 ? 0.4278 0.5692 0.5036 -0.0426 -0.0094 0.1421 262 LYS A CD 2037 C CE . LYS A 259 ? 0.6792 0.8152 0.7405 -0.0467 -0.0119 0.1418 262 LYS A CE 2038 N NZ . LYS A 259 ? 0.8031 0.9241 0.8561 -0.0503 -0.0058 0.1392 262 LYS A NZ 2039 N N . ARG A 260 ? 0.9426 1.1193 1.0093 -0.0239 -0.0417 0.1564 263 ARG A N 2040 C CA . ARG A 260 ? 0.8448 1.0126 0.8960 -0.0179 -0.0469 0.1621 263 ARG A CA 2041 C C . ARG A 260 ? 0.7243 0.8708 0.7566 -0.0217 -0.0404 0.1636 263 ARG A C 2042 O O . ARG A 260 ? 0.7955 0.9287 0.8135 -0.0171 -0.0406 0.1693 263 ARG A O 2043 C CB . ARG A 260 ? 0.9034 1.0838 0.9512 -0.0188 -0.0580 0.1615 263 ARG A CB 2044 C CG . ARG A 260 ? 1.0380 1.2403 1.1037 -0.0127 -0.0661 0.1615 263 ARG A CG 2045 C CD . ARG A 260 ? 1.2127 1.4271 1.2749 -0.0145 -0.0780 0.1603 263 ARG A CD 2046 N NE . ARG A 260 ? 1.3319 1.5336 1.3734 -0.0080 -0.0845 0.1659 263 ARG A NE 2047 C CZ . ARG A 260 ? 1.3189 1.5265 1.3619 0.0025 -0.0937 0.1700 263 ARG A CZ 2048 N NH1 . ARG A 260 ? 1.3411 1.5691 1.4073 0.0082 -0.0971 0.1686 263 ARG A NH1 2049 N NH2 . ARG A 260 ? 1.2297 1.4226 1.2505 0.0077 -0.0994 0.1754 263 ARG A NH2 2050 N N . GLY A 261 A 0.6198 0.7635 0.6525 -0.0302 -0.0344 0.1582 263 GLY A N 2051 C CA . GLY A 261 A 0.6111 0.7382 0.6287 -0.0344 -0.0278 0.1580 263 GLY A CA 2052 C C . GLY A 261 A 0.6882 0.8157 0.7102 -0.0427 -0.0231 0.1508 263 GLY A C 2053 O O . GLY A 261 A 0.9088 1.0481 0.9434 -0.0459 -0.0254 0.1467 263 GLY A O 2054 N N . SER A 262 ? 0.6060 0.7206 0.6175 -0.0461 -0.0166 0.1493 264 SER A N 2055 C CA . SER A 262 ? 0.6274 0.7402 0.6421 -0.0528 -0.0125 0.1422 264 SER A CA 2056 C C . SER A 262 ? 0.6335 0.7453 0.6348 -0.0577 -0.0155 0.1380 264 SER A C 2057 O O . SER A 262 ? 0.6216 0.7333 0.6100 -0.0561 -0.0200 0.1408 264 SER A O 2058 C CB . SER A 262 ? 0.7731 0.8736 0.7884 -0.0529 -0.0031 0.1418 264 SER A CB 2059 O OG . SER A 262 ? 0.9313 1.0223 0.9317 -0.0530 0.0007 0.1439 264 SER A OG 2060 N N . SER A 263 ? 0.6134 0.7228 0.6163 -0.0632 -0.0133 0.1312 265 SER A N 2061 C CA . SER A 263 ? 0.5609 0.6676 0.5509 -0.0676 -0.0161 0.1260 265 SER A CA 2062 C C . SER A 263 ? 0.4538 0.5513 0.4428 -0.0708 -0.0099 0.1196 265 SER A C 2063 O O . SER A 263 ? 0.5780 0.6693 0.5705 -0.0688 -0.0023 0.1204 265 SER A O 2064 C CB . SER A 263 ? 0.6804 0.7976 0.6746 -0.0718 -0.0253 0.1232 265 SER A CB 2065 O OG . SER A 263 ? 0.6936 0.8062 0.6748 -0.0763 -0.0288 0.1175 265 SER A OG 2066 N N . GLY A 264 ? 0.3150 0.4115 0.2994 -0.0757 -0.0139 0.1130 266 GLY A N 2067 C CA . GLY A 264 ? 0.3930 0.4801 0.3752 -0.0778 -0.0095 0.1061 266 GLY A CA 2068 C C . GLY A 264 ? 0.4006 0.4867 0.3851 -0.0834 -0.0149 0.1000 266 GLY A C 2069 O O . GLY A 264 ? 0.3187 0.4128 0.3082 -0.0868 -0.0214 0.1011 266 GLY A O 2070 N N . ILE A 265 ? 0.5048 0.5811 0.4861 -0.0846 -0.0121 0.0934 267 ILE A N 2071 C CA . ILE A 265 ? 0.4712 0.5425 0.4524 -0.0900 -0.0172 0.0874 267 ILE A CA 2072 C C . ILE A 265 ? 0.5550 0.6163 0.5208 -0.0906 -0.0191 0.0799 267 ILE A C 2073 O O . ILE A 265 ? 0.7651 0.8204 0.7264 -0.0865 -0.0132 0.0767 267 ILE A O 2074 C CB . ILE A 265 ? 0.4940 0.5604 0.4864 -0.0903 -0.0135 0.0860 267 ILE A CB 2075 C CG1 . ILE A 265 ? 0.5434 0.6194 0.5498 -0.0898 -0.0123 0.0926 267 ILE A CG1 2076 C CG2 . ILE A 265 ? 0.4510 0.5084 0.4395 -0.0959 -0.0186 0.0798 267 ILE A CG2 2077 C CD1 . ILE A 265 ? 0.5654 0.6361 0.5813 -0.0888 -0.0079 0.0919 267 ILE A CD1 2078 N N . MET A 266 ? 0.5515 0.6113 0.5099 -0.0958 -0.0274 0.0767 268 MET A N 2079 C CA . MET A 266 ? 0.6327 0.6829 0.5742 -0.0960 -0.0307 0.0696 268 MET A CA 2080 C C . MET A 266 ? 0.8386 0.8768 0.7772 -0.1009 -0.0357 0.0625 268 MET A C 2081 O O . MET A 266 ? 1.0289 1.0687 0.9740 -0.1075 -0.0409 0.0639 268 MET A O 2082 C CB . MET A 266 ? 0.5492 0.6053 0.4804 -0.0978 -0.0376 0.0714 268 MET A CB 2083 C CG . MET A 266 ? 0.5592 0.6051 0.4705 -0.0976 -0.0416 0.0639 268 MET A CG 2084 S SD . MET A 266 ? 0.9037 0.9565 0.8014 -0.0979 -0.0492 0.0669 268 MET A SD 2085 C CE . MET A 266 ? 1.5588 1.6186 1.4567 -0.0900 -0.0392 0.0749 268 MET A CE 2086 N N . LYS A 267 ? 0.7723 0.7981 0.7009 -0.0976 -0.0340 0.0550 269 LYS A N 2087 C CA . LYS A 267 ? 0.8115 0.8224 0.7345 -0.1011 -0.0395 0.0478 269 LYS A CA 2088 C C . LYS A 267 ? 0.9229 0.9257 0.8274 -0.1029 -0.0469 0.0415 269 LYS A C 2089 O O . LYS A 267 ? 0.9675 0.9685 0.8606 -0.0971 -0.0439 0.0378 269 LYS A O 2090 C CB . LYS A 267 ? 0.7925 0.7939 0.7174 -0.0952 -0.0338 0.0425 269 LYS A CB 2091 C CG . LYS A 267 ? 0.8596 0.8685 0.8013 -0.0923 -0.0263 0.0480 269 LYS A CG 2092 C CD . LYS A 267 ? 1.0004 1.0003 0.9445 -0.0865 -0.0222 0.0420 269 LYS A CD 2093 C CE . LYS A 267 ? 1.0465 1.0545 1.0065 -0.0831 -0.0147 0.0471 269 LYS A CE 2094 N NZ . LYS A 267 ? 1.0915 1.0921 1.0555 -0.0774 -0.0115 0.0408 269 LYS A NZ 2095 N N . THR A 268 ? 1.2293 1.0231 0.9814 -0.1000 -0.0143 0.0955 270 THR A N 2096 C CA . THR A 268 ? 1.4161 1.1788 1.1521 -0.1194 -0.0109 0.0967 270 THR A CA 2097 C C . THR A 268 ? 1.6313 1.3400 1.3199 -0.1301 -0.0039 0.1069 270 THR A C 2098 O O . THR A 268 ? 1.7155 1.3790 1.3808 -0.1307 -0.0032 0.1080 270 THR A O 2099 C CB . THR A 268 ? 1.4719 1.2702 1.2302 -0.1441 -0.0081 0.0934 270 THR A CB 2100 O OG1 . THR A 268 ? 1.4137 1.2536 1.2130 -0.1344 -0.0145 0.0842 270 THR A OG1 2101 C CG2 . THR A 268 ? 1.5749 1.3400 1.3117 -0.1677 -0.0039 0.0949 270 THR A CG2 2102 N N . GLU A 269 ? 1.7915 1.5044 1.4656 -0.1387 0.0017 0.1142 271 GLU A N 2103 C CA . GLU A 269 ? 1.8983 1.5619 1.5266 -0.1522 0.0098 0.1251 271 GLU A CA 2104 C C . GLU A 269 ? 1.9058 1.5543 1.5238 -0.1844 0.0163 0.1251 271 GLU A C 2105 O O . GLU A 269 ? 1.9220 1.5324 1.5239 -0.1842 0.0174 0.1219 271 GLU A O 2106 C CB . GLU A 269 ? 1.9455 1.5547 1.5410 -0.1300 0.0077 0.1303 271 GLU A CB 2107 C CG . GLU A 269 ? 2.0111 1.5772 1.5682 -0.1356 0.0154 0.1384 271 GLU A CG 2108 C CD . GLU A 269 ? 2.0436 1.5762 1.5791 -0.1059 0.0121 0.1426 271 GLU A CD 2109 O OE1 . GLU A 269 ? 2.0267 1.5660 1.5731 -0.0822 0.0039 0.1400 271 GLU A OE1 2110 O OE2 . GLU A 269 ? 2.0715 1.5735 1.5805 -0.1060 0.0176 0.1483 271 GLU A OE2 2111 N N . GLY A 270 ? 1.7293 1.4212 1.3688 -0.2064 0.0195 0.1228 272 GLY A N 2112 C CA . GLY A 270 ? 1.7269 1.4198 1.3681 -0.2304 0.0241 0.1170 272 GLY A CA 2113 C C . GLY A 270 ? 1.6662 1.4094 1.3418 -0.2484 0.0227 0.1093 272 GLY A C 2114 O O . GLY A 270 ? 1.5363 1.3003 1.2365 -0.2429 0.0166 0.1044 272 GLY A O 2115 N N . THR A 271 ? 2.0342 1.7976 1.7114 -0.2690 0.0284 0.1084 273 THR A N 2116 C CA . THR A 271 ? 2.0125 1.8135 1.7135 -0.2877 0.0277 0.1000 273 THR A CA 2117 C C . THR A 271 ? 1.8400 1.6977 1.5825 -0.2850 0.0221 0.0950 273 THR A C 2118 O O . THR A 271 ? 1.9469 1.8050 1.7028 -0.2772 0.0160 0.0903 273 THR A O 2119 C CB . THR A 271 ? 2.0892 1.8572 1.7762 -0.2948 0.0265 0.0935 273 THR A CB 2120 O OG1 . THR A 271 ? 2.1219 1.8767 1.8157 -0.2785 0.0200 0.0905 273 THR A OG1 2121 C CG2 . THR A 271 ? 2.0445 1.7571 1.6913 -0.2985 0.0325 0.0975 273 THR A CG2 2122 N N . LEU A 272 ? 1.2045 1.1110 0.9679 -0.2909 0.0245 0.0956 274 LEU A N 2123 C CA . LEU A 272 ? 1.0027 0.9675 0.8067 -0.2904 0.0201 0.0894 274 LEU A CA 2124 C C . LEU A 272 ? 1.0791 1.0615 0.8889 -0.3075 0.0201 0.0825 274 LEU A C 2125 O O . LEU A 272 ? 1.2486 1.2304 1.0447 -0.3228 0.0257 0.0835 274 LEU A O 2126 C CB . LEU A 272 ? 0.8036 0.8148 0.6279 -0.2861 0.0227 0.0923 274 LEU A CB 2127 C CG . LEU A 272 ? 0.5814 0.6566 0.4459 -0.2868 0.0200 0.0854 274 LEU A CG 2128 C CD1 . LEU A 272 ? 0.5506 0.6430 0.4431 -0.2732 0.0120 0.0803 274 LEU A CD1 2129 C CD2 . LEU A 272 ? 0.5070 0.6226 0.3862 -0.2824 0.0243 0.0877 274 LEU A CD2 2130 N N . GLU A 273 ? 1.0909 1.0885 0.9195 -0.3047 0.0139 0.0760 275 GLU A N 2131 C CA . GLU A 273 ? 1.1413 1.1539 0.9727 -0.3192 0.0132 0.0698 275 GLU A CA 2132 C C . GLU A 273 ? 1.1180 1.1911 0.9869 -0.3140 0.0089 0.0654 275 GLU A C 2133 O O . GLU A 273 ? 1.1797 1.2759 1.0734 -0.2973 0.0051 0.0654 275 GLU A O 2134 C CB . GLU A 273 ? 1.2427 1.2158 1.0573 -0.3202 0.0102 0.0660 275 GLU A CB 2135 C CG . GLU A 273 ? 1.4357 1.3543 1.2263 -0.3091 0.0107 0.0702 275 GLU A CG 2136 C CD . GLU A 273 ? 1.5775 1.4458 1.3375 -0.3157 0.0120 0.0674 275 GLU A CD 2137 O OE1 . GLU A 273 ? 1.5164 1.3939 1.2754 -0.3297 0.0118 0.0618 275 GLU A OE1 2138 O OE2 . GLU A 273 ? 1.6896 1.5094 1.4258 -0.3059 0.0131 0.0709 275 GLU A OE2 2139 N N . ASN A 274 ? 1.1716 1.2693 1.0438 -0.3276 0.0097 0.0617 276 ASN A N 2140 C CA . ASN A 274 ? 1.2012 1.3543 1.1056 -0.3216 0.0063 0.0581 276 ASN A CA 2141 C C . ASN A 274 ? 1.2710 1.4306 1.1902 -0.3116 -0.0006 0.0539 276 ASN A C 2142 O O . ASN A 274 ? 1.3569 1.5062 1.2649 -0.3223 -0.0018 0.0505 276 ASN A O 2143 C CB . ASN A 274 ? 1.1244 1.3025 1.0256 -0.3396 0.0097 0.0564 276 ASN A CB 2144 C CG . ASN A 274 ? 1.1009 1.3336 1.0325 -0.3323 0.0063 0.0532 276 ASN A CG 2145 O OD1 . ASN A 274 ? 1.1186 1.3601 1.0557 -0.3330 0.0022 0.0495 276 ASN A OD1 2146 N ND2 . ASN A 274 ? 1.0913 1.3597 1.0414 -0.3243 0.0083 0.0546 276 ASN A ND2 2147 N N . CYS A 275 ? 1.2058 1.3827 1.1495 -0.2912 -0.0047 0.0540 277 CYS A N 2148 C CA . CYS A 275 ? 1.1237 1.3100 1.0842 -0.2792 -0.0109 0.0505 277 CYS A CA 2149 C C . CYS A 275 ? 1.0601 1.2726 1.0503 -0.2564 -0.0139 0.0508 277 CYS A C 2150 O O . CYS A 275 ? 1.1164 1.3346 1.1118 -0.2505 -0.0115 0.0534 277 CYS A O 2151 C CB . CYS A 275 ? 1.0414 1.1814 0.9821 -0.2808 -0.0130 0.0495 277 CYS A CB 2152 S SG . CYS A 275 ? 2.0529 2.1425 1.9701 -0.2792 -0.0103 0.0541 277 CYS A SG 2153 N N . GLU A 276 ? 0.8950 1.1225 0.9039 -0.2436 -0.0189 0.0481 278 GLU A N 2154 C CA . GLU A 276 ? 0.7911 1.0393 0.8272 -0.2207 -0.0216 0.0476 278 GLU A CA 2155 C C . GLU A 276 ? 0.7471 0.9720 0.7861 -0.2092 -0.0264 0.0463 278 GLU A C 2156 O O . GLU A 276 ? 0.8376 1.0492 0.8689 -0.2137 -0.0289 0.0446 278 GLU A O 2157 C CB . GLU A 276 ? 0.8529 1.1408 0.9101 -0.2125 -0.0225 0.0458 278 GLU A CB 2158 C CG . GLU A 276 ? 1.0366 1.3336 1.1166 -0.1899 -0.0267 0.0439 278 GLU A CG 2159 C CD . GLU A 276 ? 1.1392 1.4440 1.2362 -0.1716 -0.0259 0.0437 278 GLU A CD 2160 O OE1 . GLU A 276 ? 1.1916 1.5017 1.2849 -0.1759 -0.0221 0.0451 278 GLU A OE1 2161 O OE2 . GLU A 276 ? 1.0873 1.3918 1.2002 -0.1532 -0.0289 0.0417 278 GLU A OE2 2162 N N . THR A 277 ? 0.5256 0.7465 0.5755 -0.1948 -0.0277 0.0469 279 THR A N 2163 C CA . THR A 277 ? 0.4855 0.6886 0.5414 -0.1823 -0.0325 0.0454 279 THR A CA 2164 C C . THR A 277 ? 0.4656 0.6872 0.5474 -0.1600 -0.0342 0.0438 279 THR A C 2165 O O . THR A 277 ? 0.5422 0.7804 0.6315 -0.1557 -0.0315 0.0445 279 THR A O 2166 C CB . THR A 277 ? 0.5783 0.7392 0.6106 -0.1913 -0.0330 0.0474 279 THR A CB 2167 O OG1 . THR A 277 ? 0.7338 0.8793 0.7723 -0.1796 -0.0381 0.0454 279 THR A OG1 2168 C CG2 . THR A 277 ? 0.4483 0.6049 0.4767 -0.1918 -0.0306 0.0511 279 THR A CG2 2169 N N . LYS A 278 ? 0.5214 0.7392 0.6155 -0.1455 -0.0381 0.0412 280 LYS A N 2170 C CA . LYS A 278 ? 0.5528 0.7815 0.6689 -0.1236 -0.0393 0.0385 280 LYS A CA 2171 C C . LYS A 278 ? 0.6039 0.8127 0.7182 -0.1182 -0.0424 0.0387 280 LYS A C 2172 O O . LYS A 278 ? 0.5986 0.8149 0.7271 -0.1028 -0.0427 0.0364 280 LYS A O 2173 C CB . LYS A 278 ? 0.6248 0.8585 0.7544 -0.1106 -0.0412 0.0355 280 LYS A CB 2174 C CG . LYS A 278 ? 0.6919 0.9496 0.8276 -0.1119 -0.0394 0.0357 280 LYS A CG 2175 C CD . LYS A 278 ? 0.6771 0.9383 0.8265 -0.0973 -0.0413 0.0333 280 LYS A CD 2176 C CE . LYS A 278 ? 0.7089 0.9865 0.8568 -0.1047 -0.0418 0.0350 280 LYS A CE 2177 N NZ . LYS A 278 ? 0.6784 0.9574 0.8369 -0.0921 -0.0441 0.0337 280 LYS A NZ 2178 N N . CYS A 279 ? 0.6512 0.8324 0.7466 -0.1309 -0.0448 0.0409 281 CYS A N 2179 C CA . CYS A 279 ? 0.6239 0.7780 0.7113 -0.1240 -0.0476 0.0410 281 CYS A CA 2180 C C . CYS A 279 ? 0.7240 0.8417 0.7770 -0.1363 -0.0439 0.0438 281 CYS A C 2181 O O . CYS A 279 ? 0.8727 0.9757 0.9078 -0.1549 -0.0427 0.0456 281 CYS A O 2182 C CB . CYS A 279 ? 0.5964 0.7332 0.6871 -0.1138 -0.0520 0.0382 281 CYS A CB 2183 S SG . CYS A 279 ? 0.8009 0.9001 0.8790 -0.0943 -0.0529 0.0354 281 CYS A SG 2184 N N . GLN A 280 ? 0.5514 0.6539 0.5943 -0.1257 -0.0421 0.0443 282 GLN A N 2185 C CA . GLN A 280 ? 0.3900 0.4569 0.3990 -0.1349 -0.0382 0.0482 282 GLN A CA 2186 C C . GLN A 280 ? 0.3746 0.4048 0.3684 -0.1169 -0.0401 0.0472 282 GLN A C 2187 O O . GLN A 280 ? 0.4036 0.4443 0.4128 -0.0974 -0.0427 0.0439 282 GLN A O 2188 C CB . GLN A 280 ? 0.4139 0.4993 0.4208 -0.1410 -0.0332 0.0514 282 GLN A CB 2189 C CG . GLN A 280 ? 0.6245 0.6730 0.5953 -0.1498 -0.0285 0.0567 282 GLN A CG 2190 C CD . GLN A 280 ? 0.7773 0.8049 0.7251 -0.1752 -0.0251 0.0599 282 GLN A CD 2191 O OE1 . GLN A 280 ? 0.7353 0.7884 0.6878 -0.1949 -0.0217 0.0615 282 GLN A OE1 2192 N NE2 . GLN A 280 ? 0.9042 0.8860 0.8271 -0.1749 -0.0258 0.0603 282 GLN A NE2 2193 N N . THR A 281 ? 0.5061 0.4936 0.4692 -0.1234 -0.0387 0.0495 283 THR A N 2194 C CA . THR A 281 ? 0.5581 0.5095 0.5033 -0.1062 -0.0401 0.0493 283 THR A CA 2195 C C . THR A 281 ? 0.5478 0.4623 0.4558 -0.1146 -0.0352 0.0556 283 THR A C 2196 O O . THR A 281 ? 0.6282 0.5384 0.5220 -0.1368 -0.0306 0.0593 283 THR A O 2197 C CB . THR A 281 ? 0.5500 0.4791 0.4924 -0.1005 -0.0433 0.0458 283 THR A CB 2198 O OG1 . THR A 281 ? 0.6101 0.4926 0.5165 -0.1088 -0.0403 0.0488 283 THR A OG1 2199 C CG2 . THR A 281 ? 0.4633 0.4191 0.4277 -0.1106 -0.0452 0.0428 283 THR A CG2 2200 N N . PRO A 282 ? 0.5952 0.4838 0.4869 -0.0971 -0.0360 0.0572 284 PRO A N 2201 C CA . PRO A 282 ? 0.7352 0.5826 0.5880 -0.1023 -0.0314 0.0642 284 PRO A CA 2202 C C . PRO A 282 ? 0.7683 0.5752 0.5931 -0.1191 -0.0280 0.0662 284 PRO A C 2203 O O . PRO A 282 ? 0.9797 0.7594 0.7747 -0.1342 -0.0222 0.0724 284 PRO A O 2204 C CB . PRO A 282 ? 0.7625 0.5918 0.6079 -0.0757 -0.0350 0.0638 284 PRO A CB 2205 C CG . PRO A 282 ? 0.6623 0.5357 0.5444 -0.0611 -0.0398 0.0577 284 PRO A CG 2206 C CD . PRO A 282 ? 0.5709 0.4735 0.4811 -0.0719 -0.0410 0.0528 284 PRO A CD 2207 N N . LEU A 283 ? 0.5948 0.3971 0.4279 -0.1173 -0.0311 0.0608 285 LEU A N 2208 C CA . LEU A 283 ? 0.7003 0.4641 0.5072 -0.1327 -0.0282 0.0610 285 LEU A CA 2209 C C . LEU A 283 ? 0.7931 0.5783 0.6081 -0.1604 -0.0261 0.0597 285 LEU A C 2210 O O . LEU A 283 ? 1.0762 0.8324 0.8692 -0.1775 -0.0233 0.0591 285 LEU A O 2211 C CB . LEU A 283 ? 0.6893 0.4343 0.4969 -0.1170 -0.0320 0.0557 285 LEU A CB 2212 C CG . LEU A 283 ? 0.7827 0.4830 0.5632 -0.0972 -0.0316 0.0578 285 LEU A CG 2213 C CD1 . LEU A 283 ? 0.8540 0.5766 0.6546 -0.0703 -0.0365 0.0567 285 LEU A CD1 2214 C CD2 . LEU A 283 ? 0.8434 0.5111 0.6102 -0.0947 -0.0318 0.0534 285 LEU A CD2 2215 N N . GLY A 284 ? 0.5265 0.3630 0.3728 -0.1645 -0.0277 0.0587 286 GLY A N 2216 C CA . GLY A 284 ? 0.5723 0.4365 0.4294 -0.1891 -0.0264 0.0576 286 GLY A CA 2217 C C . GLY A 284 ? 0.5371 0.4580 0.4360 -0.1838 -0.0308 0.0540 286 GLY A C 2218 O O . GLY A 284 ? 0.6264 0.5673 0.5465 -0.1628 -0.0339 0.0527 286 GLY A O 2219 N N . ALA A 285 ? 0.5108 0.4574 0.4208 -0.2030 -0.0312 0.0524 287 ALA A N 2220 C CA . ALA A 285 ? 0.4691 0.4679 0.4172 -0.1981 -0.0354 0.0496 287 ALA A CA 2221 C C . ALA A 285 ? 0.5608 0.5578 0.5172 -0.1942 -0.0403 0.0452 287 ALA A C 2222 O O . ALA A 285 ? 0.7480 0.7065 0.6803 -0.1996 -0.0398 0.0436 287 ALA A O 2223 C CB . ALA A 285 ? 0.4889 0.5244 0.4455 -0.2140 -0.0323 0.0501 287 ALA A CB 2224 N N . ILE A 286 ? 0.4834 0.5206 0.4727 -0.1844 -0.0446 0.0432 288 ILE A N 2225 C CA . ILE A 286 ? 0.6112 0.6499 0.6094 -0.1770 -0.0485 0.0392 288 ILE A CA 2226 C C . ILE A 286 ? 0.8900 0.9723 0.9130 -0.1711 -0.0488 0.0375 288 ILE A C 2227 O O . ILE A 286 ? 0.8580 0.9719 0.8989 -0.1657 -0.0475 0.0387 288 ILE A O 2228 C CB . ILE A 286 ? 0.4732 0.4977 0.4795 -0.1542 -0.0519 0.0372 288 ILE A CB 2229 C CG1 . ILE A 286 ? 0.6804 0.7201 0.7022 -0.1373 -0.0514 0.0382 288 ILE A CG1 2230 C CG2 . ILE A 286 ? 0.3736 0.3465 0.3489 -0.1516 -0.0503 0.0360 288 ILE A CG2 2231 C CD1 . ILE A 286 ? 0.8127 0.8341 0.8372 -0.1142 -0.0535 0.0354 288 ILE A CD1 2232 N N . ASN A 287 ? 1.2332 1.3140 1.2548 -0.1713 -0.0503 0.0348 289 ASN A N 2233 C CA . ASN A 287 ? 1.3012 1.4153 1.3383 -0.1686 -0.0504 0.0340 289 ASN A CA 2234 C C . ASN A 287 ? 1.3171 1.4574 1.3832 -0.1482 -0.0523 0.0339 289 ASN A C 2235 O O . ASN A 287 ? 1.4203 1.5864 1.4989 -0.1439 -0.0519 0.0339 289 ASN A O 2236 C CB . ASN A 287 ? 1.3178 1.4199 1.3413 -0.1766 -0.0515 0.0315 289 ASN A CB 2237 C CG . ASN A 287 ? 1.3047 1.4354 1.3326 -0.1831 -0.0509 0.0315 289 ASN A CG 2238 O OD1 . ASN A 287 ? 1.2037 1.3279 1.2183 -0.1932 -0.0514 0.0295 289 ASN A OD1 2239 N ND2 . ASN A 287 ? 1.3530 1.5149 1.3985 -0.1772 -0.0499 0.0335 289 ASN A ND2 2240 N N . THR A 288 ? 0.9878 1.1184 1.0626 -0.1356 -0.0543 0.0335 290 THR A N 2241 C CA . THR A 288 ? 0.8632 1.0123 0.9630 -0.1152 -0.0549 0.0323 290 THR A CA 2242 C C . THR A 288 ? 0.7672 0.9255 0.8772 -0.1058 -0.0558 0.0307 290 THR A C 2243 O O . THR A 288 ? 0.7573 0.9234 0.8836 -0.0893 -0.0554 0.0289 290 THR A O 2244 C CB . THR A 288 ? 0.8066 0.9793 0.9194 -0.1093 -0.0519 0.0328 290 THR A CB 2245 O OG1 . THR A 288 ? 0.7642 0.9377 0.8917 -0.0923 -0.0522 0.0307 290 THR A OG1 2246 C CG2 . THR A 288 ? 0.7646 0.9617 0.8874 -0.1061 -0.0502 0.0325 290 THR A CG2 2247 N N . THR A 289 ? 0.6954 0.8505 0.7936 -0.1168 -0.0567 0.0310 291 THR A N 2248 C CA . THR A 289 ? 0.5951 0.7604 0.7007 -0.1105 -0.0580 0.0306 291 THR A CA 2249 C C . THR A 289 ? 0.5902 0.7422 0.7007 -0.0994 -0.0598 0.0291 291 THR A C 2250 O O . THR A 289 ? 0.6226 0.7849 0.7460 -0.0868 -0.0595 0.0288 291 THR A O 2251 C CB . THR A 289 ? 0.6143 0.7791 0.7040 -0.1265 -0.0589 0.0309 291 THR A CB 2252 O OG1 . THR A 289 ? 0.7796 0.9523 0.8606 -0.1399 -0.0569 0.0319 291 THR A OG1 2253 C CG2 . THR A 289 ? 0.4932 0.6771 0.5923 -0.1206 -0.0604 0.0319 291 THR A CG2 2254 N N . LEU A 290 ? 0.4856 0.6131 0.5842 -0.1046 -0.0616 0.0283 292 LEU A N 2255 C CA . LEU A 290 ? 0.3265 0.4407 0.4283 -0.0957 -0.0637 0.0271 292 LEU A CA 2256 C C . LEU A 290 ? 0.4247 0.5388 0.5415 -0.0800 -0.0633 0.0263 292 LEU A C 2257 O O . LEU A 290 ? 0.5524 0.6695 0.6720 -0.0790 -0.0624 0.0266 292 LEU A O 2258 C CB . LEU A 290 ? 0.3343 0.4184 0.4145 -0.1080 -0.0663 0.0258 292 LEU A CB 2259 C CG . LEU A 290 ? 0.3684 0.4474 0.4286 -0.1248 -0.0654 0.0248 292 LEU A CG 2260 C CD1 . LEU A 290 ? 0.3137 0.3550 0.3486 -0.1343 -0.0663 0.0216 292 LEU A CD1 2261 C CD2 . LEU A 290 ? 0.3798 0.4810 0.4487 -0.1220 -0.0658 0.0255 292 LEU A CD2 2262 N N . PRO A 291 ? 0.4716 0.5824 0.5971 -0.0678 -0.0636 0.0251 293 PRO A N 2263 C CA . PRO A 291 ? 0.4471 0.5570 0.5846 -0.0522 -0.0619 0.0232 293 PRO A CA 2264 C C . PRO A 291 ? 0.4368 0.5274 0.5725 -0.0513 -0.0661 0.0226 293 PRO A C 2265 O O . PRO A 291 ? 0.4805 0.5721 0.6248 -0.0393 -0.0645 0.0204 293 PRO A O 2266 C CB . PRO A 291 ? 0.4440 0.5542 0.5872 -0.0422 -0.0601 0.0223 293 PRO A CB 2267 C CG . PRO A 291 ? 0.5092 0.6135 0.6438 -0.0529 -0.0636 0.0240 293 PRO A CG 2268 C CD . PRO A 291 ? 0.5453 0.6564 0.6699 -0.0674 -0.0643 0.0254 293 PRO A CD 2269 N N . PHE A 292 ? 0.3623 0.4298 0.4801 -0.0616 -0.0692 0.0225 294 PHE A N 2270 C CA . PHE A 292 ? 0.3314 0.3700 0.4342 -0.0533 -0.0675 0.0191 294 PHE A CA 2271 C C . PHE A 292 ? 0.3843 0.3978 0.4584 -0.0651 -0.0658 0.0196 294 PHE A C 2272 O O . PHE A 292 ? 0.4617 0.4716 0.5224 -0.0813 -0.0657 0.0209 294 PHE A O 2273 C CB . PHE A 292 ? 0.3297 0.3518 0.4292 -0.0441 -0.0672 0.0155 294 PHE A CB 2274 C CG . PHE A 292 ? 0.3170 0.3601 0.4422 -0.0341 -0.0680 0.0153 294 PHE A CG 2275 C CD1 . PHE A 292 ? 0.2226 0.2768 0.3669 -0.0211 -0.0678 0.0135 294 PHE A CD1 2276 C CD2 . PHE A 292 ? 0.3204 0.3711 0.4494 -0.0383 -0.0686 0.0167 294 PHE A CD2 2277 C CE1 . PHE A 292 ? 0.2119 0.2763 0.3670 -0.0124 -0.0632 0.0125 294 PHE A CE1 2278 C CE2 . PHE A 292 ? 0.2601 0.3258 0.4079 -0.0290 -0.0673 0.0172 294 PHE A CE2 2279 C CZ . PHE A 292 ? 0.2235 0.2917 0.3780 -0.0158 -0.0620 0.0145 294 PHE A CZ 2280 N N . HIS A 293 ? 0.3538 0.3498 0.4179 -0.0571 -0.0645 0.0187 295 HIS A N 2281 C CA . HIS A 293 ? 0.3474 0.3133 0.3815 -0.0659 -0.0622 0.0198 295 HIS A CA 2282 C C . HIS A 293 ? 0.4660 0.4044 0.4870 -0.0500 -0.0614 0.0175 295 HIS A C 2283 O O . HIS A 293 ? 0.3390 0.2891 0.3773 -0.0338 -0.0628 0.0153 295 HIS A O 2284 C CB . HIS A 293 ? 0.3319 0.3112 0.3656 -0.0762 -0.0611 0.0236 295 HIS A CB 2285 C CG . HIS A 293 ? 0.4221 0.4075 0.4638 -0.0627 -0.0609 0.0237 295 HIS A CG 2286 N ND1 . HIS A 293 ? 0.3960 0.3536 0.4158 -0.0572 -0.0593 0.0244 295 HIS A ND1 2287 C CD2 . HIS A 293 ? 0.5372 0.5529 0.6051 -0.0536 -0.0621 0.0230 295 HIS A CD2 2288 C CE1 . HIS A 293 ? 0.3916 0.3644 0.4242 -0.0456 -0.0599 0.0240 295 HIS A CE1 2289 N NE2 . HIS A 293 ? 0.5119 0.5192 0.5736 -0.0436 -0.0614 0.0226 295 HIS A NE2 2290 N N . ASN A 294 ? 0.5490 0.4507 0.5389 -0.0546 -0.0591 0.0179 296 ASN A N 2291 C CA . ASN A 294 ? 0.5486 0.4224 0.5230 -0.0385 -0.0584 0.0166 296 ASN A CA 2292 C C . ASN A 294 ? 0.5694 0.4173 0.5168 -0.0436 -0.0559 0.0208 296 ASN A C 2293 O O . ASN A 294 ? 0.7377 0.5540 0.6633 -0.0329 -0.0547 0.0209 296 ASN A O 2294 C CB . ASN A 294 ? 0.4974 0.3451 0.4572 -0.0338 -0.0574 0.0128 296 ASN A CB 2295 C CG . ASN A 294 ? 0.8172 0.6375 0.7493 -0.0525 -0.0547 0.0134 296 ASN A CG 2296 O OD1 . ASN A 294 ? 0.9322 0.7622 0.8628 -0.0714 -0.0542 0.0162 296 ASN A OD1 2297 N ND2 . ASN A 294 ? 0.9962 0.7832 0.9065 -0.0476 -0.0527 0.0102 296 ASN A ND2 2298 N N . VAL A 295 ? 0.4555 0.3176 0.4042 -0.0596 -0.0548 0.0245 297 VAL A N 2299 C CA . VAL A 295 ? 0.5540 0.3922 0.4758 -0.0689 -0.0514 0.0293 297 VAL A CA 2300 C C . VAL A 295 ? 0.5980 0.4309 0.5161 -0.0519 -0.0517 0.0314 297 VAL A C 2301 O O . VAL A 295 ? 0.6255 0.4229 0.5182 -0.0427 -0.0504 0.0327 297 VAL A O 2302 C CB . VAL A 295 ? 0.5035 0.3654 0.4313 -0.0904 -0.0499 0.0325 297 VAL A CB 2303 C CG1 . VAL A 295 ? 0.3946 0.2284 0.2916 -0.1029 -0.0453 0.0376 297 VAL A CG1 2304 C CG2 . VAL A 295 ? 0.6046 0.4780 0.5385 -0.1066 -0.0506 0.0303 297 VAL A CG2 2305 N N . HIS A 296 ? 0.6325 0.5006 0.5749 -0.0470 -0.0535 0.0315 298 HIS A N 2306 C CA . HIS A 296 ? 0.5972 0.4645 0.5362 -0.0326 -0.0541 0.0331 298 HIS A CA 2307 C C . HIS A 296 ? 0.5578 0.4654 0.5307 -0.0207 -0.0575 0.0292 298 HIS A C 2308 O O . HIS A 296 ? 0.6632 0.6021 0.6587 -0.0291 -0.0576 0.0284 298 HIS A O 2309 C CB . HIS A 296 ? 0.6342 0.4907 0.5518 -0.0458 -0.0502 0.0396 298 HIS A CB 2310 C CG . HIS A 296 ? 0.7415 0.5787 0.6398 -0.0319 -0.0499 0.0430 298 HIS A CG 2311 N ND1 . HIS A 296 ? 0.7656 0.6242 0.6710 -0.0281 -0.0500 0.0448 298 HIS A ND1 2312 C CD2 . HIS A 296 ? 0.9076 0.7067 0.7792 -0.0197 -0.0497 0.0450 298 HIS A CD2 2313 C CE1 . HIS A 296 ? 0.9006 0.7359 0.7842 -0.0148 -0.0502 0.0482 298 HIS A CE1 2314 N NE2 . HIS A 296 ? 0.9603 0.7593 0.8233 -0.0089 -0.0501 0.0486 298 HIS A NE2 2315 N N . PRO A 297 ? 0.4534 0.3603 0.4295 -0.0008 -0.0601 0.0266 299 PRO A N 2316 C CA . PRO A 297 ? 0.4011 0.3424 0.4071 0.0111 -0.0632 0.0216 299 PRO A CA 2317 C C . PRO A 297 ? 0.5121 0.4769 0.5261 0.0053 -0.0620 0.0233 299 PRO A C 2318 O O . PRO A 297 ? 0.5847 0.5811 0.6260 0.0045 -0.0627 0.0199 299 PRO A O 2319 C CB . PRO A 297 ? 0.4872 0.4163 0.4850 0.0312 -0.0659 0.0195 299 PRO A CB 2320 C CG . PRO A 297 ? 0.4930 0.3839 0.4638 0.0323 -0.0646 0.0220 299 PRO A CG 2321 C CD . PRO A 297 ? 0.4871 0.3594 0.4373 0.0119 -0.0603 0.0279 299 PRO A CD 2322 N N . LEU A 298 ? 0.6473 0.5960 0.6368 0.0019 -0.0597 0.0287 300 LEU A N 2323 C CA . LEU A 298 ? 0.5743 0.5442 0.5680 -0.0045 -0.0576 0.0308 300 LEU A CA 2324 C C . LEU A 298 ? 0.6043 0.5873 0.6042 -0.0250 -0.0543 0.0333 300 LEU A C 2325 O O . LEU A 298 ? 0.8271 0.7877 0.8067 -0.0392 -0.0516 0.0377 300 LEU A O 2326 C CB . LEU A 298 ? 0.4608 0.4078 0.4238 -0.0030 -0.0556 0.0368 300 LEU A CB 2327 C CG . LEU A 298 ? 0.5534 0.4883 0.5077 0.0184 -0.0594 0.0351 300 LEU A CG 2328 C CD1 . LEU A 298 ? 0.6657 0.5833 0.5911 0.0205 -0.0574 0.0419 300 LEU A CD1 2329 C CD2 . LEU A 298 ? 0.5762 0.5453 0.5622 0.0321 -0.0637 0.0265 300 LEU A CD2 2330 N N . THR A 299 ? 0.3885 0.4081 0.4161 -0.0262 -0.0545 0.0302 301 THR A N 2331 C CA . THR A 299 ? 0.3792 0.4175 0.4182 -0.0426 -0.0525 0.0317 301 THR A CA 2332 C C . THR A 299 ? 0.4947 0.5709 0.5551 -0.0435 -0.0509 0.0304 301 THR A C 2333 O O . THR A 299 ? 0.6944 0.7856 0.7695 -0.0294 -0.0524 0.0258 301 THR A O 2334 C CB . THR A 299 ? 0.4381 0.4796 0.4934 -0.0411 -0.0554 0.0285 301 THR A CB 2335 O OG1 . THR A 299 ? 0.5167 0.5474 0.5596 -0.0588 -0.0538 0.0319 301 THR A OG1 2336 C CG2 . THR A 299 ? 0.4141 0.4924 0.5033 -0.0356 -0.0568 0.0245 301 THR A CG2 2337 N N . ILE A 300 ? 0.2800 0.3719 0.3414 -0.0603 -0.0477 0.0340 302 ILE A N 2338 C CA . ILE A 300 ? 0.2534 0.3840 0.3365 -0.0611 -0.0457 0.0327 302 ILE A CA 2339 C C . ILE A 300 ? 0.2750 0.4304 0.3745 -0.0732 -0.0454 0.0339 302 ILE A C 2340 O O . ILE A 300 ? 0.2808 0.4293 0.3664 -0.0909 -0.0437 0.0381 302 ILE A O 2341 C CB . ILE A 300 ? 0.3330 0.4673 0.4003 -0.0689 -0.0408 0.0365 302 ILE A CB 2342 C CG1 . ILE A 300 ? 0.3938 0.4997 0.4379 -0.0591 -0.0410 0.0373 302 ILE A CG1 2343 C CG2 . ILE A 300 ? 0.1755 0.3503 0.2668 -0.0648 -0.0387 0.0335 302 ILE A CG2 2344 C CD1 . ILE A 300 ? 0.2389 0.3451 0.2637 -0.0674 -0.0358 0.0422 302 ILE A CD1 2345 N N . GLY A 301 ? 0.3358 0.5201 0.4644 -0.0635 -0.0470 0.0302 303 GLY A N 2346 C CA . GLY A 301 ? 0.2492 0.4615 0.3954 -0.0719 -0.0471 0.0318 303 GLY A CA 2347 C C . GLY A 301 ? 0.4522 0.6568 0.6102 -0.0575 -0.0481 0.0262 303 GLY A C 2348 O O . GLY A 301 ? 0.5390 0.7326 0.7025 -0.0444 -0.0506 0.0225 303 GLY A O 2349 N N . GLU A 302 ? 0.4667 0.6767 0.6269 -0.0597 -0.0457 0.0253 304 GLU A N 2350 C CA . GLU A 302 ? 0.3856 0.5872 0.5522 -0.0497 -0.0463 0.0209 304 GLU A CA 2351 C C . GLU A 302 ? 0.4123 0.5971 0.5679 -0.0587 -0.0501 0.0244 304 GLU A C 2352 O O . GLU A 302 ? 0.4790 0.6638 0.6254 -0.0721 -0.0502 0.0277 304 GLU A O 2353 C CB . GLU A 302 ? 0.5093 0.7242 0.6820 -0.0491 -0.0437 0.0201 304 GLU A CB 2354 C CG . GLU A 302 ? 0.6381 0.8670 0.8225 -0.0400 -0.0407 0.0169 304 GLU A CG 2355 C CD . GLU A 302 ? 0.7214 0.9686 0.9017 -0.0510 -0.0382 0.0215 304 GLU A CD 2356 O OE1 . GLU A 302 ? 0.7453 1.0068 0.9344 -0.0452 -0.0354 0.0200 304 GLU A OE1 2357 O OE2 . GLU A 302 ? 0.7965 1.0427 0.9634 -0.0664 -0.0388 0.0264 304 GLU A OE2 2358 N N . CYS A 303 ? 0.5190 0.6884 0.6749 -0.0512 -0.0533 0.0231 305 CYS A N 2359 C CA . CYS A 303 ? 0.4828 0.6319 0.6275 -0.0606 -0.0586 0.0273 305 CYS A CA 2360 C C . CYS A 303 ? 0.4671 0.6045 0.6157 -0.0505 -0.0596 0.0240 305 CYS A C 2361 O O . CYS A 303 ? 0.5076 0.6485 0.6647 -0.0351 -0.0562 0.0185 305 CYS A O 2362 C CB . CYS A 303 ? 0.3315 0.4577 0.4602 -0.0578 -0.0589 0.0272 305 CYS A CB 2363 S SG . CYS A 303 ? 2.0396 2.1708 2.1533 -0.0698 -0.0547 0.0307 305 CYS A SG 2364 N N . PRO A 304 ? 0.3031 0.4245 0.4412 -0.0609 -0.0633 0.0268 306 PRO A N 2365 C CA . PRO A 304 ? 0.3782 0.4876 0.5189 -0.0529 -0.0648 0.0244 306 PRO A CA 2366 C C . PRO A 304 ? 0.3366 0.4289 0.4780 -0.0383 -0.0658 0.0207 306 PRO A C 2367 O O . PRO A 304 ? 0.4167 0.4997 0.5485 -0.0349 -0.0647 0.0198 306 PRO A O 2368 C CB . PRO A 304 ? 0.4120 0.5011 0.5310 -0.0678 -0.0660 0.0261 306 PRO A CB 2369 C CG . PRO A 304 ? 0.3756 0.4757 0.4864 -0.0852 -0.0647 0.0295 306 PRO A CG 2370 C CD . PRO A 304 ? 0.2831 0.3924 0.3988 -0.0801 -0.0627 0.0298 306 PRO A CD 2371 N N . ARG A 305 ? 0.1945 0.2833 0.3453 -0.0291 -0.0670 0.0182 307 ARG A N 2372 C CA . ARG A 305 ? 0.2360 0.3119 0.3880 -0.0146 -0.0671 0.0135 307 ARG A CA 2373 C C . ARG A 305 ? 0.3574 0.4014 0.4827 -0.0149 -0.0667 0.0126 307 ARG A C 2374 O O . ARG A 305 ? 0.5739 0.6027 0.6849 -0.0224 -0.0664 0.0137 307 ARG A O 2375 C CB . ARG A 305 ? 0.2229 0.2990 0.3790 -0.0057 -0.0619 0.0102 307 ARG A CB 2376 C CG . ARG A 305 ? 0.1910 0.2817 0.3470 -0.0041 -0.0541 0.0100 307 ARG A CG 2377 C CD . ARG A 305 ? 0.1969 0.2953 0.3529 0.0017 -0.0504 0.0073 307 ARG A CD 2378 N NE . ARG A 305 ? 0.5358 0.6483 0.6917 0.0021 -0.0456 0.0075 307 ARG A NE 2379 C CZ . ARG A 305 ? 0.8867 1.0133 1.0441 0.0016 -0.0442 0.0070 307 ARG A CZ 2380 N NH1 . ARG A 305 ? 0.9646 1.0937 1.1237 -0.0004 -0.0469 0.0070 307 ARG A NH1 2381 N NH2 . ARG A 305 ? 1.0081 1.1469 1.1662 0.0036 -0.0409 0.0063 307 ARG A NH2 2382 N N . TYR A 306 ? 0.2535 0.2872 0.3711 -0.0060 -0.0667 0.0106 308 TYR A N 2383 C CA . TYR A 306 ? 0.3816 0.3839 0.4732 -0.0031 -0.0662 0.0103 308 TYR A CA 2384 C C . TYR A 306 ? 0.5695 0.5637 0.6651 0.0086 -0.0669 0.0059 308 TYR A C 2385 O O . TYR A 306 ? 0.6761 0.6853 0.7911 0.0202 -0.0681 0.0019 308 TYR A O 2386 C CB . TYR A 306 ? 0.4018 0.3972 0.4827 0.0035 -0.0662 0.0106 308 TYR A CB 2387 C CG . TYR A 306 ? 0.4079 0.3686 0.4593 0.0074 -0.0655 0.0117 308 TYR A CG 2388 C CD1 . TYR A 306 ? 0.5527 0.4878 0.5787 -0.0056 -0.0633 0.0154 308 TYR A CD1 2389 C CD2 . TYR A 306 ? 0.4451 0.3984 0.4931 0.0242 -0.0671 0.0089 308 TYR A CD2 2390 C CE1 . TYR A 306 ? 0.6442 0.5434 0.6412 -0.0011 -0.0620 0.0165 308 TYR A CE1 2391 C CE2 . TYR A 306 ? 0.5885 0.5094 0.6086 0.0301 -0.0664 0.0105 308 TYR A CE2 2392 C CZ . TYR A 306 ? 0.6034 0.4954 0.5975 0.0178 -0.0636 0.0145 308 TYR A CZ 2393 O OH . TYR A 306 ? 0.6075 0.4633 0.5720 0.0244 -0.0623 0.0163 308 TYR A OH 2394 N N . VAL A 307 ? 0.5119 0.4828 0.5887 0.0048 -0.0659 0.0063 309 VAL A N 2395 C CA . VAL A 307 ? 0.3950 0.3573 0.4730 0.0156 -0.0658 0.0021 309 VAL A CA 2396 C C . VAL A 307 ? 0.4079 0.3356 0.4563 0.0202 -0.0646 0.0018 309 VAL A C 2397 O O . VAL A 307 ? 0.2971 0.2040 0.3222 0.0114 -0.0634 0.0053 309 VAL A O 2398 C CB . VAL A 307 ? 0.3036 0.2732 0.3898 0.0082 -0.0652 0.0020 309 VAL A CB 2399 C CG1 . VAL A 307 ? 0.2845 0.2862 0.4000 0.0071 -0.0662 0.0027 309 VAL A CG1 2400 C CG2 . VAL A 307 ? 0.3556 0.3101 0.4209 -0.0084 -0.0642 0.0053 309 VAL A CG2 2401 N N . LYS A 308 ? 0.5024 0.4239 0.5516 0.0339 -0.0645 -0.0025 310 LYS A N 2402 C CA . LYS A 308 ? 0.4926 0.3820 0.5151 0.0427 -0.0633 -0.0032 310 LYS A CA 2403 C C . LYS A 308 ? 0.5958 0.4615 0.5992 0.0345 -0.0605 -0.0038 310 LYS A C 2404 O O . LYS A 308 ? 0.7297 0.5641 0.7078 0.0405 -0.0586 -0.0045 310 LYS A O 2405 C CB . LYS A 308 ? 0.4102 0.3077 0.4435 0.0628 -0.0645 -0.0081 310 LYS A CB 2406 C CG . LYS A 308 ? 0.6270 0.5049 0.6404 0.0766 -0.0653 -0.0073 310 LYS A CG 2407 C CD . LYS A 308 ? 0.8923 0.7781 0.9062 0.0740 -0.0673 -0.0035 310 LYS A CD 2408 C CE . LYS A 308 ? 1.0500 0.9165 1.0426 0.0886 -0.0684 -0.0017 310 LYS A CE 2409 N NZ . LYS A 308 ? 1.0580 0.9323 1.0491 0.0856 -0.0700 0.0022 310 LYS A NZ 2410 N N . SER A 309 ? 0.5546 0.4353 0.5696 0.0214 -0.0603 -0.0034 311 SER A N 2411 C CA . SER A 309 ? 0.6401 0.5036 0.6395 0.0126 -0.0581 -0.0048 311 SER A CA 2412 C C . SER A 309 ? 0.6514 0.4817 0.6182 -0.0001 -0.0562 -0.0026 311 SER A C 2413 O O . SER A 309 ? 0.6679 0.4980 0.6296 -0.0097 -0.0567 0.0016 311 SER A O 2414 C CB . SER A 309 ? 0.7456 0.6361 0.7650 0.0011 -0.0589 -0.0039 311 SER A CB 2415 O OG . SER A 309 ? 0.8087 0.7251 0.8556 0.0119 -0.0597 -0.0059 311 SER A OG 2416 N N . GLU A 310 ? 0.8419 0.6436 0.7859 -0.0008 -0.0534 -0.0057 312 GLU A N 2417 C CA . GLU A 310 ? 0.9483 0.7152 0.8595 -0.0153 -0.0509 -0.0047 312 GLU A CA 2418 C C . GLU A 310 ? 0.8719 0.6493 0.7839 -0.0365 -0.0512 -0.0050 312 GLU A C 2419 O O . GLU A 310 ? 0.8937 0.6567 0.7872 -0.0547 -0.0502 -0.0033 312 GLU A O 2420 C CB . GLU A 310 ? 1.1237 0.8500 1.0064 -0.0044 -0.0474 -0.0086 312 GLU A CB 2421 C CG . GLU A 310 ? 1.3638 1.0704 1.2350 0.0136 -0.0469 -0.0067 312 GLU A CG 2422 C CD . GLU A 310 ? 1.5432 1.2334 1.3972 0.0029 -0.0465 -0.0007 312 GLU A CD 2423 O OE1 . GLU A 310 ? 1.5770 1.2716 1.4349 0.0149 -0.0481 0.0027 312 GLU A OE1 2424 O OE2 . GLU A 310 ? 1.6110 1.2847 1.4471 -0.0181 -0.0445 0.0004 312 GLU A OE2 2425 N N . LYS A 311 ? 0.8258 0.6291 0.7587 -0.0345 -0.0524 -0.0071 313 LYS A N 2426 C CA . LYS A 311 ? 0.8054 0.6234 0.7410 -0.0524 -0.0535 -0.0070 313 LYS A CA 2427 C C . LYS A 311 ? 0.7185 0.5753 0.6862 -0.0472 -0.0558 -0.0061 313 LYS A C 2428 O O . LYS A 311 ? 0.7014 0.5634 0.6810 -0.0313 -0.0549 -0.0085 313 LYS A O 2429 C CB . LYS A 311 ? 0.9128 0.6996 0.8198 -0.0592 -0.0505 -0.0122 313 LYS A CB 2430 C CG . LYS A 311 ? 0.9871 0.7640 0.8928 -0.0414 -0.0480 -0.0174 313 LYS A CG 2431 C CD . LYS A 311 ? 1.1032 0.8498 0.9797 -0.0490 -0.0447 -0.0232 313 LYS A CD 2432 C CE . LYS A 311 ? 1.0963 0.8399 0.9748 -0.0318 -0.0419 -0.0285 313 LYS A CE 2433 N NZ . LYS A 311 ? 1.0762 0.8093 0.9567 -0.0091 -0.0404 -0.0291 313 LYS A NZ 2434 N N . LEU A 312 ? 0.6170 0.5012 0.5986 -0.0606 -0.0585 -0.0024 314 LEU A N 2435 C CA . LEU A 312 ? 0.4722 0.3904 0.4810 -0.0573 -0.0605 -0.0004 314 LEU A CA 2436 C C . LEU A 312 ? 0.4950 0.4247 0.4990 -0.0744 -0.0621 0.0008 314 LEU A C 2437 O O . LEU A 312 ? 0.4933 0.4437 0.5049 -0.0862 -0.0648 0.0048 314 LEU A O 2438 C CB . LEU A 312 ? 0.2870 0.2339 0.3232 -0.0521 -0.0627 0.0040 314 LEU A CB 2439 C CG . LEU A 312 ? 0.3718 0.3169 0.4192 -0.0342 -0.0619 0.0025 314 LEU A CG 2440 C CD1 . LEU A 312 ? 0.3667 0.3418 0.4413 -0.0310 -0.0639 0.0060 314 LEU A CD1 2441 C CD2 . LEU A 312 ? 0.4435 0.3850 0.4960 -0.0206 -0.0600 -0.0016 314 LEU A CD2 2442 N N . VAL A 313 ? 0.4437 0.3618 0.4349 -0.0755 -0.0606 -0.0031 315 VAL A N 2443 C CA . VAL A 313 ? 0.5063 0.4327 0.4884 -0.0923 -0.0624 -0.0030 315 VAL A CA 2444 C C . VAL A 313 ? 0.5236 0.4777 0.5243 -0.0881 -0.0638 -0.0004 315 VAL A C 2445 O O . VAL A 313 ? 0.5573 0.5048 0.5583 -0.0772 -0.0611 -0.0031 315 VAL A O 2446 C CB . VAL A 313 ? 0.6011 0.4915 0.5491 -0.1004 -0.0595 -0.0099 315 VAL A CB 2447 C CG1 . VAL A 313 ? 0.5939 0.4916 0.5291 -0.1228 -0.0620 -0.0104 315 VAL A CG1 2448 C CG2 . VAL A 313 ? 0.6230 0.4777 0.5511 -0.0977 -0.0565 -0.0125 315 VAL A CG2 2449 N N . LEU A 314 ? 0.3672 0.3528 0.3829 -0.0966 -0.0678 0.0053 316 LEU A N 2450 C CA . LEU A 314 ? 0.4098 0.4212 0.4399 -0.0943 -0.0694 0.0092 316 LEU A CA 2451 C C . LEU A 314 ? 0.5324 0.5400 0.5415 -0.1079 -0.0704 0.0064 316 LEU A C 2452 O O . LEU A 314 ? 0.6941 0.6942 0.6851 -0.1242 -0.0719 0.0037 316 LEU A O 2453 C CB . LEU A 314 ? 0.1939 0.2410 0.2484 -0.0956 -0.0735 0.0171 316 LEU A CB 2454 C CG . LEU A 314 ? 0.1671 0.2262 0.2482 -0.0798 -0.0725 0.0207 316 LEU A CG 2455 C CD1 . LEU A 314 ? 0.1484 0.2412 0.2501 -0.0800 -0.0754 0.0280 316 LEU A CD1 2456 C CD2 . LEU A 314 ? 0.2395 0.2927 0.3277 -0.0661 -0.0692 0.0196 316 LEU A CD2 2457 N N . ALA A 315 ? 0.5454 0.5583 0.5561 -0.1022 -0.0692 0.0066 317 ALA A N 2458 C CA . ALA A 315 ? 0.4960 0.5103 0.4883 -0.1144 -0.0705 0.0043 317 ALA A CA 2459 C C . ALA A 315 ? 0.4732 0.5257 0.4800 -0.1213 -0.0762 0.0123 317 ALA A C 2460 O O . ALA A 315 ? 0.4450 0.5195 0.4752 -0.1103 -0.0769 0.0196 317 ALA A O 2461 C CB . ALA A 315 ? 0.4917 0.4948 0.4775 -0.1048 -0.0662 0.0011 317 ALA A CB 2462 N N . THR A 316 ? 0.6048 0.6649 0.5972 -0.1394 -0.0801 0.0107 318 THR A N 2463 C CA . THR A 316 ? 0.5325 0.6302 0.5363 -0.1444 -0.0850 0.0179 318 THR A CA 2464 C C . THR A 316 ? 0.5803 0.6833 0.5672 -0.1530 -0.0871 0.0160 318 THR A C 2465 O O . THR A 316 ? 0.7050 0.8336 0.7029 -0.1474 -0.0894 0.0232 318 THR A O 2466 C CB . THR A 316 ? 0.5062 0.6124 0.5085 -0.1508 -0.0837 0.0182 318 THR A CB 2467 O OG1 . THR A 316 ? 0.6202 0.6996 0.5957 -0.1654 -0.0817 0.0097 318 THR A OG1 2468 C CG2 . THR A 316 ? 0.4534 0.5625 0.4752 -0.1403 -0.0819 0.0216 318 THR A CG2 2469 N N . GLY A 317 ? 0.4186 0.4953 0.3769 -0.1659 -0.0856 0.0061 319 GLY A N 2470 C CA . GLY A 317 ? 0.4827 0.5598 0.4209 -0.1743 -0.0865 0.0021 319 GLY A CA 2471 C C . GLY A 317 ? 0.5387 0.5992 0.4741 -0.1589 -0.0808 0.0007 319 GLY A C 2472 O O . GLY A 317 ? 0.5033 0.5604 0.4571 -0.1418 -0.0773 0.0047 319 GLY A O 2473 N N . LEU A 318 ? 0.5390 0.5906 0.4512 -0.1656 -0.0797 -0.0054 320 LEU A N 2474 C CA . LEU A 318 ? 0.6106 0.6497 0.5189 -0.1521 -0.0737 -0.0070 320 LEU A CA 2475 C C . LEU A 318 ? 0.6558 0.6520 0.5402 -0.1508 -0.0670 -0.0192 320 LEU A C 2476 O O . LEU A 318 ? 0.8674 0.8406 0.7372 -0.1602 -0.0668 -0.0258 320 LEU A O 2477 C CB . LEU A 318 ? 0.5030 0.5639 0.4030 -0.1568 -0.0762 -0.0043 320 LEU A CB 2478 C CG . LEU A 318 ? 0.4956 0.5635 0.3719 -0.1781 -0.0815 -0.0100 320 LEU A CG 2479 C CD1 . LEU A 318 ? 0.5034 0.5693 0.3590 -0.1795 -0.0793 -0.0142 320 LEU A CD1 2480 C CD2 . LEU A 318 ? 0.5044 0.6139 0.3967 -0.1859 -0.0903 -0.0005 320 LEU A CD2 2481 N N . ARG A 319 ? 0.3887 0.3740 0.2690 -0.1385 -0.0609 -0.0218 321 ARG A N 2482 C CA . ARG A 319 ? 0.4607 0.4069 0.3183 -0.1344 -0.0540 -0.0334 321 ARG A CA 2483 C C . ARG A 319 ? 0.5753 0.5042 0.3986 -0.1524 -0.0547 -0.0436 321 ARG A C 2484 O O . ARG A 319 ? 0.5719 0.5205 0.3871 -0.1624 -0.0580 -0.0429 321 ARG A O 2485 C CB . ARG A 319 ? 0.5249 0.4698 0.3874 -0.1176 -0.0473 -0.0338 321 ARG A CB 2486 C CG . ARG A 319 ? 0.5907 0.4979 0.4316 -0.1100 -0.0397 -0.0456 321 ARG A CG 2487 C CD . ARG A 319 ? 0.5933 0.5054 0.4389 -0.0952 -0.0330 -0.0462 321 ARG A CD 2488 N NE . ARG A 319 ? 0.6182 0.5472 0.4960 -0.0800 -0.0316 -0.0382 321 ARG A NE 2489 C CZ . ARG A 319 ? 0.6906 0.6053 0.5758 -0.0645 -0.0263 -0.0417 321 ARG A CZ 2490 N NH1 . ARG A 319 ? 0.7347 0.6170 0.5973 -0.0602 -0.0218 -0.0525 321 ARG A NH1 2491 N NH2 . ARG A 319 ? 0.7582 0.6911 0.6730 -0.0530 -0.0255 -0.0348 321 ARG A NH2 2492 N N . ASN A 320 ? 0.7086 0.5998 0.5108 -0.1566 -0.0516 -0.0530 322 ASN A N 2493 C CA . ASN A 320 ? 0.8178 0.6871 0.5856 -0.1753 -0.0517 -0.0638 322 ASN A CA 2494 C C . ASN A 320 ? 0.9264 0.7687 0.6689 -0.1688 -0.0444 -0.0745 322 ASN A C 2495 O O . ASN A 320 ? 0.9361 0.7461 0.6711 -0.1550 -0.0376 -0.0800 322 ASN A O 2496 C CB . ASN A 320 ? 0.7244 0.5637 0.4791 -0.1854 -0.0516 -0.0684 322 ASN A CB 2497 C CG . ASN A 320 ? 0.7167 0.5564 0.4522 -0.2088 -0.0543 -0.0728 322 ASN A CG 2498 O OD1 . ASN A 320 ? 0.7884 0.6441 0.5148 -0.2171 -0.0557 -0.0751 322 ASN A OD1 2499 N ND2 . ASN A 320 ? 0.7729 0.5998 0.5078 -0.2143 -0.0527 -0.0711 322 ASN A ND2 2500 N N . VAL A 321 ? 0.9542 0.8113 0.6835 -0.1782 -0.0458 -0.0774 323 VAL A N 2501 C CA . VAL A 321 ? 1.0029 0.8388 0.7079 -0.1728 -0.0387 -0.0877 323 VAL A CA 2502 C C . VAL A 321 ? 1.1440 0.9676 0.8143 -0.1950 -0.0404 -0.0989 323 VAL A C 2503 O O . VAL A 321 ? 1.1867 1.0402 0.8586 -0.2118 -0.0481 -0.0953 323 VAL A O 2504 C CB . VAL A 321 ? 0.9868 0.8543 0.7084 -0.1601 -0.0372 -0.0806 323 VAL A CB 2505 C CG1 . VAL A 321 ? 1.2413 1.0871 0.9391 -0.1524 -0.0287 -0.0914 323 VAL A CG1 2506 C CG2 . VAL A 321 ? 0.7034 0.5873 0.4610 -0.1412 -0.0363 -0.0692 323 VAL A CG2 2507 N N . PRO A 322 ? 1.2293 1.0087 0.8677 -0.1949 -0.0333 -0.1128 324 PRO A N 2508 C CA . PRO A 322 ? 1.3288 1.1002 0.9459 -0.2080 -0.0315 -0.1197 324 PRO A CA 2509 C C . PRO A 322 ? 1.2829 1.0708 0.8875 -0.2083 -0.0304 -0.1241 324 PRO A C 2510 O O . PRO A 322 ? 1.1626 0.9458 0.7490 -0.2187 -0.0292 -0.1306 324 PRO A O 2511 C CB . PRO A 322 ? 1.3826 1.1029 0.9798 -0.1998 -0.0226 -0.1289 324 PRO A CB 2512 C CG . PRO A 322 ? 1.3161 1.0217 0.9191 -0.1776 -0.0179 -0.1296 324 PRO A CG 2513 C CD . PRO A 322 ? 1.1579 0.8984 0.7918 -0.1756 -0.0249 -0.1175 324 PRO A CD 2514 N N . GLY B 1 ? 0.7308 0.6863 0.7407 0.1098 -0.0219 -0.1178 1 GLY B N 2515 C CA . GLY B 1 ? 0.7541 0.7173 0.7728 0.1138 -0.0232 -0.1123 1 GLY B CA 2516 C C . GLY B 1 ? 0.7943 0.7893 0.8367 0.1193 -0.0078 -0.1184 1 GLY B C 2517 O O . GLY B 1 ? 0.9103 0.9137 0.9708 0.1279 -0.0034 -0.1333 1 GLY B O 2518 N N . LEU B 2 ? 0.5525 0.5647 0.5934 0.1126 0.0007 -0.1057 2 LEU B N 2519 C CA . LEU B 2 ? 0.3837 0.4234 0.4433 0.1164 0.0147 -0.1098 2 LEU B CA 2520 C C . LEU B 2 ? 0.3012 0.3572 0.3598 0.1086 0.0301 -0.1104 2 LEU B C 2521 O O . LEU B 2 ? 0.4232 0.4874 0.4900 0.1029 0.0393 -0.1088 2 LEU B O 2522 C CB . LEU B 2 ? 0.3752 0.4232 0.4310 0.1133 0.0164 -0.0957 2 LEU B CB 2523 C CG . LEU B 2 ? 0.4304 0.4869 0.5011 0.1153 0.0188 -0.0954 2 LEU B CG 2524 C CD1 . LEU B 2 ? 0.6186 0.6575 0.6960 0.1236 0.0038 -0.1024 2 LEU B CD1 2525 C CD2 . LEU B 2 ? 0.2368 0.3027 0.3014 0.1128 0.0231 -0.0829 2 LEU B CD2 2526 N N . PHE B 3 ? 0.4097 0.4613 0.4508 0.0993 0.0304 -0.1024 3 PHE B N 2527 C CA . PHE B 3 ? 0.5537 0.6177 0.5904 0.0927 0.0430 -0.1034 3 PHE B CA 2528 C C . PHE B 3 ? 0.5816 0.6303 0.6116 0.0925 0.0402 -0.1136 3 PHE B C 2529 O O . PHE B 3 ? 0.6471 0.6997 0.6689 0.0866 0.0483 -0.1147 3 PHE B O 2530 C CB . PHE B 3 ? 0.2514 0.3234 0.2740 0.0813 0.0456 -0.0864 3 PHE B CB 2531 C CG . PHE B 3 ? 0.4115 0.4991 0.4390 0.0823 0.0501 -0.0771 3 PHE B CG 2532 C CD1 . PHE B 3 ? 0.4186 0.5221 0.4492 0.0798 0.0619 -0.0746 3 PHE B CD1 2533 C CD2 . PHE B 3 ? 0.4972 0.5770 0.5229 0.0836 0.0410 -0.0690 3 PHE B CD2 2534 C CE1 . PHE B 3 ? 0.3914 0.4992 0.4234 0.0769 0.0631 -0.0630 3 PHE B CE1 2535 C CE2 . PHE B 3 ? 0.4845 0.5767 0.5126 0.0851 0.0453 -0.0608 3 PHE B CE2 2536 C CZ . PHE B 3 ? 0.3931 0.5031 0.4255 0.0839 0.0571 -0.0597 3 PHE B CZ 2537 N N . GLY B 4 ? 0.5024 0.5311 0.5340 0.0996 0.0277 -0.1212 4 GLY B N 2538 C CA . GLY B 4 ? 0.4909 0.5040 0.5187 0.1032 0.0247 -0.1342 4 GLY B CA 2539 C C . GLY B 4 ? 0.4978 0.4946 0.5022 0.0923 0.0201 -0.1276 4 GLY B C 2540 O O . GLY B 4 ? 0.4316 0.4170 0.4304 0.0944 0.0205 -0.1384 4 GLY B O 2541 N N . ALA B 5 ? 0.6092 0.6053 0.6002 0.0805 0.0158 -0.1104 5 ALA B N 2542 C CA . ALA B 5 ? 0.6149 0.5963 0.5851 0.0687 0.0097 -0.1034 5 ALA B CA 2543 C C . ALA B 5 ? 0.5893 0.5398 0.5459 0.0678 -0.0081 -0.1019 5 ALA B C 2544 O O . ALA B 5 ? 0.6034 0.5323 0.5513 0.0712 -0.0147 -0.1120 5 ALA B O 2545 C CB . ALA B 5 ? 0.3163 0.3142 0.2805 0.0558 0.0140 -0.0866 5 ALA B CB 2546 N N . ILE B 6 ? 0.4502 0.3966 0.4028 0.0632 -0.0157 -0.0896 6 ILE B N 2547 C CA . ILE B 6 ? 0.4033 0.3171 0.3391 0.0608 -0.0331 -0.0867 6 ILE B CA 2548 C C . ILE B 6 ? 0.4412 0.3364 0.3835 0.0774 -0.0417 -0.1027 6 ILE B C 2549 O O . ILE B 6 ? 0.4958 0.4040 0.4572 0.0892 -0.0379 -0.1091 6 ILE B O 2550 C CB . ILE B 6 ? 0.3884 0.3016 0.3174 0.0522 -0.0376 -0.0705 6 ILE B CB 2551 C CG1 . ILE B 6 ? 0.6710 0.6078 0.5981 0.0372 -0.0281 -0.0560 6 ILE B CG1 2552 C CG2 . ILE B 6 ? 1.0618 0.9374 0.9682 0.0469 -0.0555 -0.0668 6 ILE B CG2 2553 C CD1 . ILE B 6 ? 0.6502 0.5906 0.5720 0.0286 -0.0295 -0.0406 6 ILE B CD1 2554 N N . ALA B 7 ? 0.4471 0.3118 0.3737 0.0786 -0.0540 -0.1094 7 ALA B N 2555 C CA . ALA B 7 ? 0.5857 0.4323 0.5184 0.0959 -0.0626 -0.1271 7 ALA B CA 2556 C C . ALA B 7 ? 0.6399 0.5132 0.5991 0.1088 -0.0475 -0.1432 7 ALA B C 2557 O O . ALA B 7 ? 0.7006 0.5729 0.6764 0.1249 -0.0508 -0.1578 7 ALA B O 2558 C CB . ALA B 7 ? 0.6899 0.5194 0.6222 0.1034 -0.0765 -0.1258 7 ALA B CB 2559 N N . GLY B 8 ? 0.6560 0.5527 0.6186 0.1012 -0.0313 -0.1409 8 GLY B N 2560 C CA . GLY B 8 ? 0.6734 0.5950 0.6572 0.1100 -0.0148 -0.1546 8 GLY B CA 2561 C C . GLY B 8 ? 0.6709 0.5863 0.6443 0.1082 -0.0083 -0.1635 8 GLY B C 2562 O O . GLY B 8 ? 0.7223 0.6119 0.6850 0.1137 -0.0183 -0.1730 8 GLY B O 2563 N N . PHE B 9 ? 0.3926 0.3290 0.3668 0.1008 0.0077 -0.1608 9 PHE B N 2564 C CA . PHE B 9 ? 0.4737 0.4018 0.4337 0.0975 0.0140 -0.1679 9 PHE B CA 2565 C C . PHE B 9 ? 0.6075 0.5128 0.5398 0.0840 0.0019 -0.1553 9 PHE B C 2566 O O . PHE B 9 ? 0.8020 0.6893 0.7169 0.0817 0.0005 -0.1610 9 PHE B O 2567 C CB . PHE B 9 ? 0.5053 0.4591 0.4719 0.0942 0.0344 -0.1702 9 PHE B CB 2568 C CG . PHE B 9 ? 0.4954 0.4642 0.4555 0.0810 0.0380 -0.1522 9 PHE B CG 2569 C CD1 . PHE B 9 ? 0.5953 0.5565 0.5339 0.0690 0.0374 -0.1444 9 PHE B CD1 2570 C CD2 . PHE B 9 ? 0.5389 0.5294 0.5146 0.0813 0.0415 -0.1438 9 PHE B CD2 2571 C CE1 . PHE B 9 ? 0.5889 0.5656 0.5238 0.0583 0.0399 -0.1291 9 PHE B CE1 2572 C CE2 . PHE B 9 ? 0.6356 0.6403 0.6056 0.0707 0.0448 -0.1283 9 PHE B CE2 2573 C CZ . PHE B 9 ? 0.6222 0.6210 0.5730 0.0596 0.0440 -0.1213 9 PHE B CZ 2574 N N . ILE B 10 ? 0.4209 0.3270 0.3491 0.0746 -0.0067 -0.1385 10 ILE B N 2575 C CA . ILE B 10 ? 0.5588 0.4426 0.4635 0.0613 -0.0205 -0.1266 10 ILE B CA 2576 C C . ILE B 10 ? 0.7092 0.5659 0.6078 0.0662 -0.0377 -0.1275 10 ILE B C 2577 O O . ILE B 10 ? 0.7247 0.5851 0.6286 0.0649 -0.0425 -0.1184 10 ILE B O 2578 C CB . ILE B 10 ? 0.4762 0.3786 0.3798 0.0465 -0.0185 -0.1074 10 ILE B CB 2579 C CG1 . ILE B 10 ? 0.4270 0.3550 0.3357 0.0429 -0.0030 -0.1065 10 ILE B CG1 2580 C CG2 . ILE B 10 ? 0.4788 0.3601 0.3604 0.0313 -0.0326 -0.0956 10 ILE B CG2 2581 C CD1 . ILE B 10 ? 0.3878 0.3359 0.2970 0.0302 -0.0012 -0.0892 10 ILE B CD1 2582 N N . GLU B 11 ? 0.8225 0.6495 0.7077 0.0724 -0.0474 -0.1389 11 GLU B N 2583 C CA . GLU B 11 ? 0.8307 0.6286 0.7098 0.0812 -0.0643 -0.1438 11 GLU B CA 2584 C C . GLU B 11 ? 0.7816 0.5594 0.6416 0.0676 -0.0795 -0.1268 11 GLU B C 2585 O O . GLU B 11 ? 0.9464 0.7217 0.8115 0.0712 -0.0857 -0.1228 11 GLU B O 2586 C CB . GLU B 11 ? 0.9815 0.7497 0.8472 0.0908 -0.0720 -0.1597 11 GLU B CB 2587 C CG . GLU B 11 ? 1.1081 0.8909 0.9960 0.1096 -0.0604 -0.1807 11 GLU B CG 2588 C CD . GLU B 11 ? 1.3372 1.0878 1.2131 0.1225 -0.0708 -0.1975 11 GLU B CD 2589 O OE1 . GLU B 11 ? 1.3433 1.0902 1.2101 0.1216 -0.0632 -0.2046 11 GLU B OE1 2590 O OE2 . GLU B 11 ? 1.4051 1.1388 1.2821 0.1307 -0.0852 -0.1989 11 GLU B OE2 2591 N N . GLY B 12 ? 0.6651 0.4280 0.5023 0.0512 -0.0854 -0.1171 12 GLY B N 2592 C CA . GLY B 12 ? 0.7289 0.4693 0.5453 0.0365 -0.0999 -0.1022 12 GLY B CA 2593 C C . GLY B 12 ? 0.7203 0.4849 0.5381 0.0171 -0.0932 -0.0834 12 GLY B C 2594 O O . GLY B 12 ? 0.8462 0.6442 0.6797 0.0150 -0.0783 -0.0813 12 GLY B O 2595 N N . GLY B 13 ? 0.6230 0.3696 0.4237 0.0029 -0.1044 -0.0701 13 GLY B N 2596 C CA . GLY B 13 ? 0.7227 0.4903 0.5236 -0.0169 -0.0994 -0.0525 13 GLY B CA 2597 C C . GLY B 13 ? 0.7891 0.5372 0.5677 -0.0351 -0.1091 -0.0461 13 GLY B C 2598 O O . GLY B 13 ? 0.8743 0.5863 0.6325 -0.0328 -0.1217 -0.0539 13 GLY B O 2599 N N . TRP B 14 ? 0.7314 0.5034 0.5141 -0.0529 -0.1038 -0.0324 14 TRP B N 2600 C CA . TRP B 14 ? 0.7355 0.4942 0.5005 -0.0719 -0.1126 -0.0258 14 TRP B CA 2601 C C . TRP B 14 ? 0.8516 0.5964 0.6011 -0.0924 -0.1216 -0.0111 14 TRP B C 2602 O O . TRP B 14 ? 0.9286 0.7024 0.6909 -0.1028 -0.1134 0.0009 14 TRP B O 2603 C CB . TRP B 14 ? 0.8319 0.6270 0.6126 -0.0782 -0.1018 -0.0223 14 TRP B CB 2604 C CG . TRP B 14 ? 0.8682 0.6696 0.6564 -0.0619 -0.0940 -0.0365 14 TRP B CG 2605 C CD1 . TRP B 14 ? 0.8800 0.6559 0.6601 -0.0457 -0.0971 -0.0519 14 TRP B CD1 2606 C CD2 . TRP B 14 ? 0.7740 0.6085 0.5780 -0.0604 -0.0814 -0.0370 14 TRP B CD2 2607 N NE1 . TRP B 14 ? 0.8408 0.6327 0.6306 -0.0355 -0.0857 -0.0619 14 TRP B NE1 2608 C CE2 . TRP B 14 ? 0.8036 0.6295 0.6064 -0.0444 -0.0765 -0.0526 14 TRP B CE2 2609 C CE3 . TRP B 14 ? 0.6875 0.5575 0.5059 -0.0706 -0.0741 -0.0262 14 TRP B CE3 2610 C CZ2 . TRP B 14 ? 0.8223 0.6707 0.6344 -0.0398 -0.0645 -0.0570 14 TRP B CZ2 2611 C CZ3 . TRP B 14 ? 0.7136 0.6055 0.5418 -0.0645 -0.0639 -0.0308 14 TRP B CZ3 2612 C CH2 . TRP B 14 ? 0.8158 0.6954 0.6392 -0.0499 -0.0591 -0.0458 14 TRP B CH2 2613 N N . GLN B 15 ? 0.9308 0.6301 0.6514 -0.0982 -0.1384 -0.0124 15 GLN B N 2614 C CA . GLN B 15 ? 0.8483 0.5279 0.5485 -0.1204 -0.1481 0.0013 15 GLN B CA 2615 C C . GLN B 15 ? 0.9050 0.6075 0.6096 -0.1436 -0.1457 0.0127 15 GLN B C 2616 O O . GLN B 15 ? 1.0742 0.7850 0.7767 -0.1634 -0.1451 0.0263 15 GLN B O 2617 C CB . GLN B 15 ? 0.8015 0.4228 0.4662 -0.1211 -0.1680 -0.0039 15 GLN B CB 2618 C CG . GLN B 15 ? 0.9345 0.5282 0.5913 -0.1016 -0.1743 -0.0127 15 GLN B CG 2619 C CD . GLN B 15 ? 1.0450 0.6338 0.6947 -0.1108 -0.1748 -0.0009 15 GLN B CD 2620 O OE1 . GLN B 15 ? 1.0690 0.6625 0.7288 -0.0950 -0.1710 -0.0049 15 GLN B OE1 2621 N NE2 . GLN B 15 ? 1.0823 0.6609 0.7136 -0.1372 -0.1795 0.0135 15 GLN B NE2 2622 N N . GLY B 16 ? 0.8478 0.5605 0.5585 -0.1410 -0.1444 0.0066 16 GLY B N 2623 C CA . GLY B 16 ? 0.9728 0.7026 0.6860 -0.1619 -0.1458 0.0154 16 GLY B CA 2624 C C . GLY B 16 ? 1.0018 0.7857 0.7456 -0.1685 -0.1309 0.0250 16 GLY B C 2625 O O . GLY B 16 ? 1.0642 0.8667 0.8136 -0.1874 -0.1322 0.0338 16 GLY B O 2626 N N . MET B 17 ? 1.0319 0.8411 0.7957 -0.1525 -0.1174 0.0228 17 MET B N 2627 C CA . MET B 17 ? 1.1021 0.9613 0.8938 -0.1562 -0.1032 0.0311 17 MET B CA 2628 C C . MET B 17 ? 1.2454 1.1114 1.0384 -0.1657 -0.0990 0.0422 17 MET B C 2629 O O . MET B 17 ? 1.2909 1.1513 1.0842 -0.1523 -0.0943 0.0396 17 MET B O 2630 C CB . MET B 17 ? 0.9952 0.8802 0.8077 -0.1337 -0.0899 0.0222 17 MET B CB 2631 C CG . MET B 17 ? 0.9258 0.8597 0.7643 -0.1366 -0.0780 0.0285 17 MET B CG 2632 S SD . MET B 17 ? 0.8473 0.8102 0.7078 -0.1124 -0.0612 0.0216 17 MET B SD 2633 C CE . MET B 17 ? 0.9941 0.9187 0.8399 -0.0932 -0.0654 0.0055 17 MET B CE 2634 N N . VAL B 18 ? 1.2327 1.1105 1.0259 -0.1893 -0.1005 0.0542 18 VAL B N 2635 C CA . VAL B 18 ? 1.2233 1.1098 1.0169 -0.2010 -0.0946 0.0654 18 VAL B CA 2636 C C . VAL B 18 ? 1.1626 1.1051 0.9882 -0.2021 -0.0787 0.0716 18 VAL B C 2637 O O . VAL B 18 ? 1.0539 1.0125 0.8848 -0.2095 -0.0700 0.0804 18 VAL B O 2638 C CB . VAL B 18 ? 1.1690 1.0321 0.9411 -0.2289 -0.1054 0.0750 18 VAL B CB 2639 C CG1 . VAL B 18 ? 1.0340 0.8401 0.7725 -0.2280 -0.1233 0.0683 18 VAL B CG1 2640 C CG2 . VAL B 18 ? 1.2119 1.1084 1.0013 -0.2474 -0.1048 0.0810 18 VAL B CG2 2641 N N . ASP B 19 ? 1.2622 1.2319 1.1071 -0.1937 -0.0753 0.0665 19 ASP B N 2642 C CA . ASP B 19 ? 1.2308 1.2527 1.1054 -0.1950 -0.0633 0.0715 19 ASP B CA 2643 C C . ASP B 19 ? 1.0687 1.1137 0.9585 -0.1771 -0.0486 0.0707 19 ASP B C 2644 O O . ASP B 19 ? 1.0057 1.0879 0.9145 -0.1812 -0.0379 0.0779 19 ASP B O 2645 C CB . ASP B 19 ? 1.3292 1.3665 1.2150 -0.1907 -0.0666 0.0656 19 ASP B CB 2646 C CG . ASP B 19 ? 1.3820 1.3832 1.2460 -0.2001 -0.0827 0.0618 19 ASP B CG 2647 O OD1 . ASP B 19 ? 1.5062 1.4791 1.3507 -0.2164 -0.0918 0.0668 19 ASP B OD1 2648 O OD2 . ASP B 19 ? 1.2343 1.2330 1.0981 -0.1916 -0.0865 0.0539 19 ASP B OD2 2649 N N . GLY B 20 ? 0.9706 0.9942 0.8524 -0.1572 -0.0482 0.0616 20 GLY B N 2650 C CA . GLY B 20 ? 0.8747 0.9177 0.7699 -0.1395 -0.0355 0.0598 20 GLY B CA 2651 C C . GLY B 20 ? 0.8959 0.9089 0.7799 -0.1208 -0.0377 0.0497 20 GLY B C 2652 O O . GLY B 20 ? 1.0499 1.0246 0.9141 -0.1215 -0.0493 0.0447 20 GLY B O 2653 N N . TRP B 21 ? 0.7267 0.7575 0.6239 -0.1038 -0.0271 0.0464 21 TRP B N 2654 C CA . TRP B 21 ? 0.6905 0.6984 0.5819 -0.0856 -0.0282 0.0366 21 TRP B CA 2655 C C . TRP B 21 ? 0.7390 0.7431 0.6341 -0.0722 -0.0288 0.0236 21 TRP B C 2656 O O . TRP B 21 ? 0.7974 0.7717 0.6817 -0.0637 -0.0360 0.0139 21 TRP B O 2657 C CB . TRP B 21 ? 0.6681 0.6945 0.5706 -0.0744 -0.0171 0.0390 21 TRP B CB 2658 C CG . TRP B 21 ? 0.6456 0.6567 0.5353 -0.0817 -0.0189 0.0474 21 TRP B CG 2659 C CD1 . TRP B 21 ? 0.6867 0.6617 0.5536 -0.0929 -0.0306 0.0502 21 TRP B CD1 2660 C CD2 . TRP B 21 ? 0.5714 0.5995 0.4668 -0.0786 -0.0089 0.0542 21 TRP B CD2 2661 N NE1 . TRP B 21 ? 0.6639 0.6316 0.5210 -0.0975 -0.0283 0.0583 21 TRP B NE1 2662 C CE2 . TRP B 21 ? 0.6548 0.6552 0.5294 -0.0887 -0.0147 0.0609 21 TRP B CE2 2663 C CE3 . TRP B 21 ? 0.5951 0.6564 0.5084 -0.0682 0.0039 0.0552 21 TRP B CE3 2664 C CZ2 . TRP B 21 ? 0.7928 0.7983 0.6642 -0.0888 -0.0073 0.0684 21 TRP B CZ2 2665 C CZ3 . TRP B 21 ? 0.6083 0.6754 0.5195 -0.0677 0.0109 0.0625 21 TRP B CZ3 2666 C CH2 . TRP B 21 ? 0.7323 0.7718 0.6226 -0.0779 0.0056 0.0690 21 TRP B CH2 2667 N N . TYR B 22 ? 0.7292 0.7629 0.6388 -0.0701 -0.0212 0.0229 22 TYR B N 2668 C CA . TYR B 22 ? 0.7427 0.7727 0.6530 -0.0597 -0.0204 0.0113 22 TYR B CA 2669 C C . TYR B 22 ? 0.7837 0.8243 0.6939 -0.0707 -0.0237 0.0136 22 TYR B C 2670 O O . TYR B 22 ? 0.9147 0.9831 0.8357 -0.0797 -0.0206 0.0228 22 TYR B O 2671 C CB . TYR B 22 ? 0.6670 0.7181 0.5918 -0.0432 -0.0078 0.0059 22 TYR B CB 2672 C CG . TYR B 22 ? 0.5583 0.6182 0.4903 -0.0371 -0.0018 0.0105 22 TYR B CG 2673 C CD1 . TYR B 22 ? 0.4561 0.4917 0.3817 -0.0296 -0.0060 0.0058 22 TYR B CD1 2674 C CD2 . TYR B 22 ? 0.5659 0.6573 0.5103 -0.0378 0.0075 0.0189 22 TYR B CD2 2675 C CE1 . TYR B 22 ? 0.5527 0.5938 0.4827 -0.0239 -0.0016 0.0100 22 TYR B CE1 2676 C CE2 . TYR B 22 ? 0.4685 0.5657 0.4169 -0.0319 0.0130 0.0230 22 TYR B CE2 2677 C CZ . TYR B 22 ? 0.5227 0.5940 0.4632 -0.0255 0.0083 0.0188 22 TYR B CZ 2678 O OH . TYR B 22 ? 0.5115 0.5859 0.4539 -0.0197 0.0126 0.0229 22 TYR B OH 2679 N N . GLY B 23 ? 0.6769 0.6951 0.5748 -0.0694 -0.0303 0.0048 23 GLY B N 2680 C CA . GLY B 23 ? 0.6386 0.6614 0.5331 -0.0795 -0.0354 0.0061 23 GLY B CA 2681 C C . GLY B 23 ? 0.6760 0.6771 0.5577 -0.0721 -0.0379 -0.0063 23 GLY B C 2682 O O . GLY B 23 ? 0.7476 0.7368 0.6274 -0.0574 -0.0327 -0.0170 23 GLY B O 2683 N N . TYR B 24 ? 0.5850 0.5814 0.4581 -0.0826 -0.0459 -0.0052 24 TYR B N 2684 C CA . TYR B 24 ? 0.5239 0.4986 0.3815 -0.0772 -0.0483 -0.0163 24 TYR B CA 2685 C C . TYR B 24 ? 0.5645 0.5030 0.4003 -0.0870 -0.0631 -0.0180 24 TYR B C 2686 O O . TYR B 24 ? 0.5683 0.5029 0.4015 -0.1021 -0.0726 -0.0086 24 TYR B O 2687 C CB . TYR B 24 ? 0.4344 0.4280 0.2949 -0.0799 -0.0469 -0.0149 24 TYR B CB 2688 C CG . TYR B 24 ? 0.5843 0.6152 0.4651 -0.0740 -0.0356 -0.0101 24 TYR B CG 2689 C CD1 . TYR B 24 ? 0.5702 0.6068 0.4529 -0.0591 -0.0236 -0.0181 24 TYR B CD1 2690 C CD2 . TYR B 24 ? 0.6971 0.7571 0.5944 -0.0836 -0.0368 0.0020 24 TYR B CD2 2691 C CE1 . TYR B 24 ? 0.6144 0.6817 0.5126 -0.0535 -0.0143 -0.0137 24 TYR B CE1 2692 C CE2 . TYR B 24 ? 0.7295 0.8223 0.6442 -0.0769 -0.0270 0.0057 24 TYR B CE2 2693 C CZ . TYR B 24 ? 0.6784 0.7732 0.5923 -0.0616 -0.0165 -0.0020 24 TYR B CZ 2694 O OH . TYR B 24 ? 0.7082 0.8324 0.6364 -0.0547 -0.0078 0.0018 24 TYR B OH 2695 N N . HIS B 25 ? 0.5516 0.4629 0.3706 -0.0787 -0.0645 -0.0304 25 HIS B N 2696 C CA . HIS B 25 ? 0.6984 0.5744 0.4934 -0.0874 -0.0788 -0.0330 25 HIS B CA 2697 C C . HIS B 25 ? 0.9065 0.7736 0.6883 -0.0843 -0.0780 -0.0411 25 HIS B C 2698 O O . HIS B 25 ? 1.0221 0.8854 0.8018 -0.0696 -0.0674 -0.0527 25 HIS B O 2699 C CB . HIS B 25 ? 0.7932 0.6347 0.5746 -0.0792 -0.0835 -0.0417 25 HIS B CB 2700 C CG . HIS B 25 ? 0.8657 0.6671 0.6193 -0.0855 -0.0979 -0.0463 25 HIS B CG 2701 N ND1 . HIS B 25 ? 0.7750 0.5684 0.5174 -0.1051 -0.1114 -0.0367 25 HIS B ND1 2702 C CD2 . HIS B 25 ? 0.9559 0.7228 0.6905 -0.0748 -0.1012 -0.0598 25 HIS B CD2 2703 C CE1 . HIS B 25 ? 0.9425 0.6958 0.6581 -0.1064 -0.1230 -0.0436 25 HIS B CE1 2704 N NE2 . HIS B 25 ? 1.0294 0.7657 0.7393 -0.0875 -0.1168 -0.0579 25 HIS B NE2 2705 N N . HIS B 26 ? 0.9024 0.7658 0.6749 -0.0989 -0.0892 -0.0352 26 HIS B N 2706 C CA . HIS B 26 ? 0.9071 0.7582 0.6631 -0.0972 -0.0905 -0.0421 26 HIS B CA 2707 C C . HIS B 26 ? 1.0171 0.8252 0.7438 -0.1036 -0.1049 -0.0469 26 HIS B C 2708 O O . HIS B 26 ? 1.0679 0.8635 0.7891 -0.1171 -0.1182 -0.0397 26 HIS B O 2709 C CB . HIS B 26 ? 0.8700 0.7497 0.6369 -0.1066 -0.0928 -0.0331 26 HIS B CB 2710 C CG . HIS B 26 ? 0.8678 0.7465 0.6331 -0.1266 -0.1096 -0.0226 26 HIS B CG 2711 N ND1 . HIS B 26 ? 0.9722 0.8594 0.7489 -0.1381 -0.1144 -0.0128 26 HIS B ND1 2712 C CD2 . HIS B 26 ? 0.8640 0.7342 0.6175 -0.1380 -0.1226 -0.0205 26 HIS B CD2 2713 C CE1 . HIS B 26 ? 1.0339 0.9195 0.8073 -0.1566 -0.1290 -0.0052 26 HIS B CE1 2714 N NE2 . HIS B 26 ? 0.9532 0.8290 0.7135 -0.1566 -0.1349 -0.0097 26 HIS B NE2 2715 N N . SER B 27 ? 0.8286 0.9899 0.8151 -0.1294 -0.1220 -0.0457 27 SER B N 2716 C CA . SER B 27 ? 0.8520 1.0056 0.8333 -0.1270 -0.1287 -0.0510 27 SER B CA 2717 C C . SER B 27 ? 0.8684 1.0218 0.8418 -0.1290 -0.1326 -0.0502 27 SER B C 2718 O O . SER B 27 ? 1.0676 1.2216 1.0291 -0.1295 -0.1288 -0.0535 27 SER B O 2719 C CB . SER B 27 ? 0.9319 1.0802 0.9041 -0.1211 -0.1268 -0.0611 27 SER B CB 2720 O OG . SER B 27 ? 1.0008 1.1424 0.9639 -0.1173 -0.1340 -0.0676 27 SER B OG 2721 N N . ASN B 28 ? 0.5318 0.6853 0.5111 -0.1310 -0.1399 -0.0457 28 ASN B N 2722 C CA . ASN B 28 ? 0.5252 0.6778 0.4971 -0.1328 -0.1447 -0.0444 28 ASN B CA 2723 C C . ASN B 28 ? 0.5312 0.6795 0.5045 -0.1324 -0.1534 -0.0456 28 ASN B C 2724 O O . ASN B 28 ? 0.6572 0.8004 0.6329 -0.1308 -0.1560 -0.0490 28 ASN B O 2725 C CB . ASN B 28 ? 0.6006 0.7593 0.5757 -0.1357 -0.1458 -0.0365 28 ASN B CB 2726 C CG . ASN B 28 ? 0.5716 0.7392 0.5637 -0.1361 -0.1508 -0.0308 28 ASN B CG 2727 O OD1 . ASN B 28 ? 0.7161 0.8853 0.7178 -0.1366 -0.1504 -0.0312 28 ASN B OD1 2728 N ND2 . ASN B 28 ? 0.3720 0.5460 0.3663 -0.1360 -0.1563 -0.0259 28 ASN B ND2 2729 N N . ASP B 29 ? 0.6538 0.8024 0.6231 -0.1342 -0.1585 -0.0429 29 ASP B N 2730 C CA . ASP B 29 ? 0.8180 0.9629 0.7873 -0.1344 -0.1667 -0.0440 29 ASP B CA 2731 C C . ASP B 29 ? 0.7266 0.8767 0.7104 -0.1377 -0.1704 -0.0388 29 ASP B C 2732 O O . ASP B 29 ? 0.5896 0.7336 0.5724 -0.1390 -0.1753 -0.0409 29 ASP B O 2733 C CB . ASP B 29 ? 1.0684 1.2128 1.0296 -0.1356 -0.1713 -0.0420 29 ASP B CB 2734 C CG . ASP B 29 ? 1.2894 1.4360 1.2448 -0.1374 -0.1681 -0.0377 29 ASP B CG 2735 O OD1 . ASP B 29 ? 1.3762 1.5185 1.3174 -0.1385 -0.1628 -0.0409 29 ASP B OD1 2736 O OD2 . ASP B 29 ? 1.2978 1.4508 1.2615 -0.1379 -0.1717 -0.0316 29 ASP B OD2 2737 N N . GLN B 30 ? 0.7796 0.9416 0.7755 -0.1395 -0.1685 -0.0324 30 GLN B N 2738 C CA . GLN B 30 ? 0.8620 1.0343 0.8729 -0.1437 -0.1706 -0.0277 30 GLN B CA 2739 C C . GLN B 30 ? 0.9133 1.0787 0.9243 -0.1463 -0.1674 -0.0293 30 GLN B C 2740 O O . GLN B 30 ? 0.9142 1.0733 0.9231 -0.1511 -0.1721 -0.0294 30 GLN B O 2741 C CB . GLN B 30 ? 0.7670 0.9571 0.7911 -0.1427 -0.1691 -0.0225 30 GLN B CB 2742 C CG . GLN B 30 ? 0.6456 0.8472 0.6747 -0.1413 -0.1771 -0.0200 30 GLN B CG 2743 C CD . GLN B 30 ? 0.7287 0.9261 0.7468 -0.1362 -0.1792 -0.0199 30 GLN B CD 2744 O OE1 . GLN B 30 ? 0.8828 1.0650 0.8848 -0.1362 -0.1756 -0.0225 30 GLN B OE1 2745 N NE2 . GLN B 30 ? 0.6021 0.8134 0.6273 -0.1319 -0.1857 -0.0174 30 GLN B NE2 2746 N N . GLY B 31 ? 0.8630 1.0278 0.8742 -0.1437 -0.1602 -0.0306 31 GLY B N 2747 C CA . GLY B 31 ? 0.9119 1.0687 0.9213 -0.1453 -0.1579 -0.0325 31 GLY B CA 2748 C C . GLY B 31 ? 0.9688 1.1289 0.9811 -0.1422 -0.1495 -0.0330 31 GLY B C 2749 O O . GLY B 31 ? 0.9486 1.1204 0.9675 -0.1407 -0.1455 -0.0296 31 GLY B O 2750 N N . SER B 32 ? 1.0155 1.1642 1.0211 -0.1408 -0.1481 -0.0377 32 SER B N 2751 C CA . SER B 32 ? 0.9271 1.0779 0.9346 -0.1377 -0.1404 -0.0389 32 SER B CA 2752 C C . SER B 32 ? 0.8315 0.9911 0.8508 -0.1434 -0.1370 -0.0322 32 SER B C 2753 O O . SER B 32 ? 0.7293 0.8942 0.7545 -0.1504 -0.1405 -0.0269 32 SER B O 2754 C CB . SER B 32 ? 0.8678 1.0038 0.8623 -0.1316 -0.1413 -0.0488 32 SER B CB 2755 O OG . SER B 32 ? 0.8243 0.9463 0.8115 -0.1338 -0.1487 -0.0510 32 SER B OG 2756 N N . GLY B 33 ? 0.8442 1.0068 0.8662 -0.1408 -0.1299 -0.0327 33 GLY B N 2757 C CA . GLY B 33 ? 0.8581 1.0309 0.8911 -0.1454 -0.1256 -0.0269 33 GLY B CA 2758 C C . GLY B 33 ? 0.8651 1.0470 0.9037 -0.1409 -0.1173 -0.0265 33 GLY B C 2759 O O . GLY B 33 ? 0.9221 1.1044 0.9567 -0.1359 -0.1149 -0.0291 33 GLY B O 2760 N N . TYR B 34 ? 0.7099 0.8988 0.7564 -0.1438 -0.1129 -0.0231 34 TYR B N 2761 C CA . TYR B 34 ? 0.5804 0.7779 0.6324 -0.1396 -0.1051 -0.0228 34 TYR B CA 2762 C C . TYR B 34 ? 0.6497 0.8715 0.7178 -0.1393 -0.1032 -0.0167 34 TYR B C 2763 O O . TYR B 34 ? 0.7139 0.9482 0.7906 -0.1437 -0.1066 -0.0129 34 TYR B O 2764 C CB . TYR B 34 ? 0.4701 0.6583 0.5183 -0.1411 -0.1016 -0.0247 34 TYR B CB 2765 C CG . TYR B 34 ? 0.5442 0.7100 0.5761 -0.1385 -0.1053 -0.0328 34 TYR B CG 2766 C CD1 . TYR B 34 ? 0.6952 0.8560 0.7191 -0.1317 -0.1053 -0.0395 34 TYR B CD1 2767 C CD2 . TYR B 34 ? 0.5995 0.7495 0.6224 -0.1425 -0.1098 -0.0344 34 TYR B CD2 2768 C CE1 . TYR B 34 ? 0.7779 0.9226 0.7880 -0.1266 -0.1094 -0.0488 34 TYR B CE1 2769 C CE2 . TYR B 34 ? 0.6353 0.7648 0.6421 -0.1371 -0.1155 -0.0437 34 TYR B CE2 2770 C CZ . TYR B 34 ? 0.7491 0.8781 0.7512 -0.1279 -0.1153 -0.0516 34 TYR B CZ 2771 O OH . TYR B 34 ? 0.7613 0.8739 0.7484 -0.1197 -0.1216 -0.0627 34 TYR B OH 2772 N N . ALA B 35 ? 0.6494 0.8791 0.7208 -0.1338 -0.0984 -0.0168 35 ALA B N 2773 C CA . ALA B 35 ? 0.7309 0.9851 0.8170 -0.1303 -0.0978 -0.0128 35 ALA B CA 2774 C C . ALA B 35 ? 0.7255 0.9817 0.8113 -0.1251 -0.0918 -0.0139 35 ALA B C 2775 O O . ALA B 35 ? 0.8226 1.0635 0.8955 -0.1238 -0.0902 -0.0174 35 ALA B O 2776 C CB . ALA B 35 ? 0.8621 1.1248 0.9491 -0.1266 -0.1055 -0.0118 35 ALA B CB 2777 N N . ALA B 36 ? 0.6191 0.8955 0.7186 -0.1223 -0.0881 -0.0115 36 ALA B N 2778 C CA . ALA B 36 ? 0.5564 0.8356 0.6565 -0.1171 -0.0826 -0.0126 36 ALA B CA 2779 C C . ALA B 36 ? 0.6356 0.9173 0.7322 -0.1056 -0.0859 -0.0122 36 ALA B C 2780 O O . ALA B 36 ? 0.8337 1.1219 0.9306 -0.1021 -0.0941 -0.0112 36 ALA B O 2781 C CB . ALA B 36 ? 0.5252 0.8212 0.6386 -0.1172 -0.0762 -0.0106 36 ALA B CB 2782 N N . ASP B 37 ? 0.4525 0.7214 0.5416 -0.0977 -0.0797 -0.0131 37 ASP B N 2783 C CA . ASP B 37 ? 0.5787 0.8403 0.6589 -0.0839 -0.0827 -0.0124 37 ASP B CA 2784 C C . ASP B 37 ? 0.6544 0.9327 0.7470 -0.0726 -0.0782 -0.0121 37 ASP B C 2785 O O . ASP B 37 ? 0.7902 1.0589 0.8794 -0.0710 -0.0703 -0.0127 37 ASP B O 2786 C CB . ASP B 37 ? 0.6441 0.8741 0.7002 -0.0851 -0.0806 -0.0137 37 ASP B CB 2787 C CG . ASP B 37 ? 0.7727 0.9859 0.8113 -0.0734 -0.0869 -0.0121 37 ASP B CG 2788 O OD1 . ASP B 37 ? 0.9457 1.1678 0.9873 -0.0646 -0.0961 -0.0111 37 ASP B OD1 2789 O OD2 . ASP B 37 ? 0.7208 0.9107 0.7406 -0.0730 -0.0838 -0.0124 37 ASP B OD2 2790 N N . LYS B 38 ? 0.6630 0.9692 0.7701 -0.0644 -0.0834 -0.0120 38 LYS B N 2791 C CA . LYS B 38 ? 0.7090 1.0409 0.8311 -0.0537 -0.0793 -0.0131 38 LYS B CA 2792 C C . LYS B 38 ? 0.7899 1.1015 0.8976 -0.0376 -0.0782 -0.0144 38 LYS B C 2793 O O . LYS B 38 ? 0.7644 1.0839 0.8788 -0.0336 -0.0705 -0.0151 38 LYS B O 2794 C CB . LYS B 38 ? 0.8030 1.1736 0.9424 -0.0462 -0.0866 -0.0149 38 LYS B CB 2795 C CG . LYS B 38 ? 0.8600 1.2594 1.0171 -0.0641 -0.0861 -0.0135 38 LYS B CG 2796 C CD . LYS B 38 ? 0.8832 1.3268 1.0585 -0.0566 -0.0931 -0.0165 38 LYS B CD 2797 C CE . LYS B 38 ? 0.8367 1.3105 1.0239 -0.0399 -0.0897 -0.0207 38 LYS B CE 2798 N NZ . LYS B 38 ? 0.7698 1.2772 0.9693 -0.0292 -0.0941 -0.0253 38 LYS B NZ 2799 N N . GLU B 39 ? 1.0100 1.2932 1.0955 -0.0295 -0.0868 -0.0144 39 GLU B N 2800 C CA . GLU B 39 ? 1.0464 1.3032 1.1118 -0.0153 -0.0885 -0.0151 39 GLU B CA 2801 C C . GLU B 39 ? 0.9464 1.1830 1.0041 -0.0239 -0.0774 -0.0141 39 GLU B C 2802 O O . GLU B 39 ? 0.9826 1.2228 1.0439 -0.0150 -0.0722 -0.0152 39 GLU B O 2803 C CB . GLU B 39 ? 1.2416 1.4637 1.2774 -0.0104 -0.1009 -0.0143 39 GLU B CB 2804 C CG . GLU B 39 ? 1.4431 1.6295 1.4506 0.0017 -0.1050 -0.0143 39 GLU B CG 2805 C CD . GLU B 39 ? 1.5068 1.6515 1.4841 -0.0137 -0.1038 -0.0112 39 GLU B CD 2806 O OE1 . GLU B 39 ? 1.5764 1.7116 1.5439 -0.0258 -0.1077 -0.0096 39 GLU B OE1 2807 O OE2 . GLU B 39 ? 1.3971 1.5207 1.3601 -0.0146 -0.0988 -0.0106 39 GLU B OE2 2808 N N . SER B 40 ? 0.7347 0.9523 0.7817 -0.0403 -0.0742 -0.0130 40 SER B N 2809 C CA . SER B 40 ? 0.6579 0.8579 0.6963 -0.0483 -0.0648 -0.0136 40 SER B CA 2810 C C . SER B 40 ? 0.6929 0.9144 0.7529 -0.0509 -0.0547 -0.0146 40 SER B C 2811 O O . SER B 40 ? 0.9002 1.1139 0.9574 -0.0476 -0.0481 -0.0154 40 SER B O 2812 C CB . SER B 40 ? 0.5966 0.7806 0.6215 -0.0645 -0.0641 -0.0144 40 SER B CB 2813 O OG . SER B 40 ? 0.7564 0.9593 0.7972 -0.0737 -0.0639 -0.0153 40 SER B OG 2814 N N . THR B 41 ? 0.3751 0.6213 0.4541 -0.0580 -0.0544 -0.0144 41 THR B N 2815 C CA . THR B 41 ? 0.2860 0.5492 0.3811 -0.0636 -0.0465 -0.0146 41 THR B CA 2816 C C . THR B 41 ? 0.3403 0.6219 0.4461 -0.0510 -0.0430 -0.0144 41 THR B C 2817 O O . THR B 41 ? 0.4660 0.7449 0.5732 -0.0510 -0.0351 -0.0150 41 THR B O 2818 C CB . THR B 41 ? 0.2999 0.5830 0.4085 -0.0761 -0.0489 -0.0136 41 THR B CB 2819 O OG1 . THR B 41 ? 0.3847 0.6498 0.4822 -0.0864 -0.0522 -0.0149 41 THR B OG1 2820 C CG2 . THR B 41 ? 0.2017 0.4967 0.3207 -0.0840 -0.0420 -0.0131 41 THR B CG2 2821 N N . GLN B 42 ? 0.3629 0.6645 0.4757 -0.0391 -0.0494 -0.0147 42 GLN B N 2822 C CA . GLN B 42 ? 0.3956 0.7214 0.5196 -0.0250 -0.0470 -0.0165 42 GLN B CA 2823 C C . GLN B 42 ? 0.5249 0.8242 0.6324 -0.0113 -0.0454 -0.0177 42 GLN B C 2824 O O . GLN B 42 ? 0.6982 1.0084 0.8123 -0.0048 -0.0389 -0.0189 42 GLN B O 2825 C CB . GLN B 42 ? 0.4482 0.8048 0.5829 -0.0125 -0.0559 -0.0190 42 GLN B CB 2826 C CG . GLN B 42 ? 0.5735 0.9702 0.7259 -0.0007 -0.0524 -0.0225 42 GLN B CG 2827 C CD . GLN B 42 ? 0.6762 1.1026 0.8472 -0.0192 -0.0423 -0.0206 42 GLN B CD 2828 O OE1 . GLN B 42 ? 0.7747 1.2053 0.9505 -0.0383 -0.0425 -0.0176 42 GLN B OE1 2829 N NE2 . GLN B 42 ? 0.5981 1.0425 0.7766 -0.0143 -0.0344 -0.0222 42 GLN B NE2 2830 N N . LYS B 43 ? 0.3819 0.6456 0.4658 -0.0085 -0.0517 -0.0171 43 LYS B N 2831 C CA . LYS B 43 ? 0.3770 0.6096 0.4399 0.0007 -0.0514 -0.0175 43 LYS B CA 2832 C C . LYS B 43 ? 0.5133 0.7386 0.5783 -0.0094 -0.0394 -0.0172 43 LYS B C 2833 O O . LYS B 43 ? 0.6487 0.8711 0.7123 -0.0002 -0.0351 -0.0182 43 LYS B O 2834 C CB . LYS B 43 ? 0.4345 0.6283 0.4679 -0.0016 -0.0599 -0.0160 43 LYS B CB 2835 C CG . LYS B 43 ? 0.7190 0.9061 0.7394 0.0146 -0.0745 -0.0169 43 LYS B CG 2836 C CD . LYS B 43 ? 0.8965 1.0357 0.8791 0.0113 -0.0830 -0.0146 43 LYS B CD 2837 C CE . LYS B 43 ? 0.9562 1.0663 0.9139 0.0283 -0.0898 -0.0155 43 LYS B CE 2838 N NZ . LYS B 43 ? 0.9619 1.0771 0.9287 0.0293 -0.0782 -0.0163 43 LYS B NZ 2839 N N . ALA B 44 ? 0.4703 0.6924 0.5377 -0.0269 -0.0352 -0.0167 44 ALA B N 2840 C CA . ALA B 44 ? 0.3267 0.5418 0.3951 -0.0360 -0.0256 -0.0180 44 ALA B CA 2841 C C . ALA B 44 ? 0.4175 0.6566 0.5045 -0.0336 -0.0188 -0.0179 44 ALA B C 2842 O O . ALA B 44 ? 0.6035 0.8352 0.6883 -0.0309 -0.0122 -0.0189 44 ALA B O 2843 C CB . ALA B 44 ? 0.2987 0.5094 0.3660 -0.0521 -0.0251 -0.0193 44 ALA B CB 2844 N N . PHE B 45 ? 0.3906 0.6594 0.4947 -0.0363 -0.0205 -0.0167 45 PHE B N 2845 C CA . PHE B 45 ? 0.3989 0.6944 0.5191 -0.0383 -0.0142 -0.0162 45 PHE B CA 2846 C C . PHE B 45 ? 0.4214 0.7261 0.5435 -0.0208 -0.0116 -0.0178 45 PHE B C 2847 O O . PHE B 45 ? 0.3825 0.6917 0.5083 -0.0213 -0.0038 -0.0180 45 PHE B O 2848 C CB . PHE B 45 ? 0.2907 0.6199 0.4273 -0.0462 -0.0174 -0.0148 45 PHE B CB 2849 C CG . PHE B 45 ? 0.3530 0.7074 0.5021 -0.0566 -0.0108 -0.0135 45 PHE B CG 2850 C CD1 . PHE B 45 ? 0.3269 0.6664 0.4706 -0.0741 -0.0080 -0.0118 45 PHE B CD1 2851 C CD2 . PHE B 45 ? 0.4891 0.8815 0.6526 -0.0489 -0.0082 -0.0147 45 PHE B CD2 2852 C CE1 . PHE B 45 ? 0.3844 0.7415 0.5339 -0.0862 -0.0030 -0.0097 45 PHE B CE1 2853 C CE2 . PHE B 45 ? 0.5906 1.0075 0.7631 -0.0619 -0.0016 -0.0131 45 PHE B CE2 2854 C CZ . PHE B 45 ? 0.5523 0.9490 0.7163 -0.0818 0.0009 -0.0099 45 PHE B CZ 2855 N N . ASP B 46 ? 0.4391 0.7440 0.5561 -0.0045 -0.0192 -0.0193 46 ASP B N 2856 C CA . ASP B 46 ? 0.5595 0.8714 0.6753 0.0157 -0.0195 -0.0222 46 ASP B CA 2857 C C . ASP B 46 ? 0.6198 0.8968 0.7184 0.0190 -0.0151 -0.0221 46 ASP B C 2858 O O . ASP B 46 ? 0.7601 1.0445 0.8617 0.0282 -0.0099 -0.0237 46 ASP B O 2859 C CB . ASP B 46 ? 0.7153 1.0271 0.8232 0.0343 -0.0321 -0.0250 46 ASP B CB 2860 C CG . ASP B 46 ? 0.8690 1.2235 0.9967 0.0348 -0.0367 -0.0268 46 ASP B CG 2861 O OD1 . ASP B 46 ? 0.8768 1.2666 1.0253 0.0222 -0.0291 -0.0262 46 ASP B OD1 2862 O OD2 . ASP B 46 ? 0.9184 1.2703 1.0390 0.0468 -0.0485 -0.0290 46 ASP B OD2 2863 N N . GLY B 47 ? 0.4671 0.7084 0.5475 0.0105 -0.0171 -0.0206 47 GLY B N 2864 C CA . GLY B 47 ? 0.4886 0.6985 0.5521 0.0105 -0.0131 -0.0208 47 GLY B CA 2865 C C . GLY B 47 ? 0.5616 0.7770 0.6349 0.0003 -0.0022 -0.0212 47 GLY B C 2866 O O . GLY B 47 ? 0.7190 0.9260 0.7882 0.0066 0.0028 -0.0222 47 GLY B O 2867 N N . ILE B 48 ? 0.3938 0.6202 0.4776 -0.0150 0.0002 -0.0206 48 ILE B N 2868 C CA . ILE B 48 ? 0.2515 0.4781 0.3402 -0.0250 0.0080 -0.0213 48 ILE B CA 2869 C C . ILE B 48 ? 0.3603 0.6098 0.4614 -0.0202 0.0139 -0.0205 48 ILE B C 2870 O O . ILE B 48 ? 0.4556 0.6958 0.5532 -0.0192 0.0201 -0.0215 48 ILE B O 2871 C CB . ILE B 48 ? 0.2569 0.4866 0.3498 -0.0413 0.0064 -0.0212 48 ILE B CB 2872 C CG1 . ILE B 48 ? 0.2654 0.4714 0.3443 -0.0470 0.0034 -0.0241 48 ILE B CG1 2873 C CG2 . ILE B 48 ? 0.3303 0.5618 0.4268 -0.0500 0.0118 -0.0215 48 ILE B CG2 2874 C CD1 . ILE B 48 ? 0.2405 0.4268 0.3090 -0.0474 0.0084 -0.0283 48 ILE B CD1 2875 N N . THR B 49 ? 0.4036 0.6857 0.5189 -0.0175 0.0120 -0.0194 49 THR B N 2876 C CA . THR B 49 ? 0.4208 0.7320 0.5481 -0.0139 0.0180 -0.0195 49 THR B CA 2877 C C . THR B 49 ? 0.4572 0.7614 0.5781 0.0057 0.0195 -0.0220 49 THR B C 2878 O O . THR B 49 ? 0.5973 0.9092 0.7209 0.0078 0.0266 -0.0226 49 THR B O 2879 C CB . THR B 49 ? 0.4441 0.7995 0.5889 -0.0148 0.0154 -0.0194 49 THR B CB 2880 O OG1 . THR B 49 ? 0.6408 1.0006 0.7846 0.0020 0.0069 -0.0219 49 THR B OG1 2881 C CG2 . THR B 49 ? 0.3502 0.7114 0.4995 -0.0365 0.0137 -0.0163 49 THR B CG2 2882 N N . ASN B 50 ? 0.3423 0.6283 0.4515 0.0195 0.0119 -0.0234 50 ASN B N 2883 C CA . ASN B 50 ? 0.3865 0.6563 0.4833 0.0381 0.0108 -0.0258 50 ASN B CA 2884 C C . ASN B 50 ? 0.3477 0.5850 0.4317 0.0323 0.0167 -0.0252 50 ASN B C 2885 O O . ASN B 50 ? 0.5097 0.7375 0.5865 0.0442 0.0189 -0.0268 50 ASN B O 2886 C CB . ASN B 50 ? 0.5269 0.7765 0.6072 0.0515 -0.0012 -0.0269 50 ASN B CB 2887 C CG . ASN B 50 ? 0.7824 1.0229 0.8503 0.0753 -0.0060 -0.0304 50 ASN B CG 2888 O OD1 . ASN B 50 ? 0.8552 1.1164 0.9266 0.0933 -0.0135 -0.0343 50 ASN B OD1 2889 N ND2 . ASN B 50 ? 0.8198 1.0293 0.8720 0.0765 -0.0028 -0.0299 50 ASN B ND2 2890 N N . LYS B 51 ? 0.2225 0.4442 0.3034 0.0151 0.0186 -0.0239 51 LYS B N 2891 C CA . LYS B 51 ? 0.1891 0.3842 0.2590 0.0095 0.0236 -0.0251 51 LYS B CA 2892 C C . LYS B 51 ? 0.2739 0.4800 0.3527 0.0058 0.0320 -0.0253 51 LYS B C 2893 O O . LYS B 51 ? 0.3769 0.5715 0.4494 0.0128 0.0362 -0.0267 51 LYS B O 2894 C CB . LYS B 51 ? 0.3730 0.5521 0.4363 -0.0054 0.0217 -0.0260 51 LYS B CB 2895 C CG . LYS B 51 ? 0.1725 0.3308 0.2263 -0.0110 0.0263 -0.0294 51 LYS B CG 2896 C CD . LYS B 51 ? 0.2730 0.4237 0.3222 -0.0240 0.0240 -0.0324 51 LYS B CD 2897 C CE . LYS B 51 ? 0.3117 0.4415 0.3435 -0.0260 0.0231 -0.0357 51 LYS B CE 2898 N NZ . LYS B 51 ? 0.4229 0.5519 0.4496 -0.0375 0.0194 -0.0386 51 LYS B NZ 2899 N N . VAL B 52 ? 0.4220 0.6480 0.5127 -0.0064 0.0338 -0.0238 52 VAL B N 2900 C CA . VAL B 52 ? 0.3875 0.6201 0.4819 -0.0131 0.0406 -0.0232 52 VAL B CA 2901 C C . VAL B 52 ? 0.5040 0.7614 0.6062 -0.0019 0.0453 -0.0229 52 VAL B C 2902 O O . VAL B 52 ? 0.7118 0.9679 0.8121 -0.0029 0.0515 -0.0230 52 VAL B O 2903 C CB . VAL B 52 ? 0.3496 0.5925 0.4491 -0.0316 0.0397 -0.0210 52 VAL B CB 2904 C CG1 . VAL B 52 ? 0.4389 0.6653 0.5329 -0.0389 0.0331 -0.0223 52 VAL B CG1 2905 C CG2 . VAL B 52 ? 0.3506 0.6330 0.4650 -0.0344 0.0400 -0.0182 52 VAL B CG2 2906 N N . ASN B 53 ? 0.4462 0.7266 0.5561 0.0099 0.0414 -0.0235 53 ASN B N 2907 C CA . ASN B 53 ? 0.4730 0.7795 0.5895 0.0252 0.0444 -0.0257 53 ASN B CA 2908 C C . ASN B 53 ? 0.4216 0.7003 0.5238 0.0418 0.0444 -0.0281 53 ASN B C 2909 O O . ASN B 53 ? 0.4290 0.7202 0.5329 0.0526 0.0489 -0.0301 53 ASN B O 2910 C CB . ASN B 53 ? 0.5692 0.9089 0.6965 0.0366 0.0382 -0.0279 53 ASN B CB 2911 C CG . ASN B 53 ? 0.6247 1.0054 0.7694 0.0209 0.0402 -0.0263 53 ASN B CG 2912 O OD1 . ASN B 53 ? 0.6394 1.0186 0.7848 0.0001 0.0454 -0.0227 53 ASN B OD1 2913 N ND2 . ASN B 53 ? 0.6506 1.0665 0.8070 0.0305 0.0349 -0.0294 53 ASN B ND2 2914 N N . SER B 54 ? 0.4649 0.7064 0.5518 0.0424 0.0394 -0.0279 54 SER B N 2915 C CA . SER B 54 ? 0.5165 0.7276 0.5864 0.0547 0.0384 -0.0296 54 SER B CA 2916 C C . SER B 54 ? 0.4825 0.6794 0.5490 0.0478 0.0467 -0.0298 54 SER B C 2917 O O . SER B 54 ? 0.5897 0.7817 0.6510 0.0595 0.0496 -0.0314 54 SER B O 2918 C CB . SER B 54 ? 0.5747 0.7521 0.6265 0.0539 0.0303 -0.0293 54 SER B CB 2919 O OG . SER B 54 ? 0.6687 0.8512 0.7169 0.0657 0.0207 -0.0296 54 SER B OG 2920 N N . VAL B 55 ? 0.2151 0.4048 0.2832 0.0303 0.0495 -0.0290 55 VAL B N 2921 C CA . VAL B 55 ? 0.2253 0.3986 0.2878 0.0249 0.0553 -0.0303 55 VAL B CA 2922 C C . VAL B 55 ? 0.2862 0.4807 0.3572 0.0225 0.0621 -0.0290 55 VAL B C 2923 O O . VAL B 55 ? 0.2902 0.4716 0.3550 0.0213 0.0668 -0.0300 55 VAL B O 2924 C CB . VAL B 55 ? 0.2512 0.4078 0.3094 0.0098 0.0539 -0.0319 55 VAL B CB 2925 C CG1 . VAL B 55 ? 0.3962 0.5432 0.4490 0.0077 0.0475 -0.0327 55 VAL B CG1 2926 C CG2 . VAL B 55 ? 0.2915 0.4632 0.3578 -0.0039 0.0549 -0.0300 55 VAL B CG2 2927 N N . ILE B 56 ? 0.3764 0.6050 0.4606 0.0207 0.0625 -0.0270 56 ILE B N 2928 C CA . ILE B 56 ? 0.4120 0.6664 0.5032 0.0151 0.0693 -0.0256 56 ILE B CA 2929 C C . ILE B 56 ? 0.4041 0.6839 0.5009 0.0333 0.0723 -0.0279 56 ILE B C 2930 O O . ILE B 56 ? 0.4022 0.6827 0.4956 0.0365 0.0785 -0.0286 56 ILE B O 2931 C CB . ILE B 56 ? 0.3159 0.5973 0.4174 -0.0026 0.0688 -0.0224 56 ILE B CB 2932 C CG1 . ILE B 56 ? 0.2952 0.5482 0.3871 -0.0202 0.0656 -0.0209 56 ILE B CG1 2933 C CG2 . ILE B 56 ? 0.2366 0.5521 0.3446 -0.0096 0.0760 -0.0209 56 ILE B CG2 2934 C CD1 . ILE B 56 ? 0.4034 0.6748 0.5011 -0.0384 0.0627 -0.0175 56 ILE B CD1 2935 N N . GLU B 57 ? 0.3329 0.6323 0.4366 0.0467 0.0668 -0.0300 57 GLU B N 2936 C CA . GLU B 57 ? 0.4576 0.7866 0.5669 0.0668 0.0676 -0.0343 57 GLU B CA 2937 C C . GLU B 57 ? 0.4115 0.7109 0.5056 0.0870 0.0658 -0.0374 57 GLU B C 2938 O O . GLU B 57 ? 0.4567 0.7651 0.5489 0.0997 0.0654 -0.0400 57 GLU B O 2939 C CB . GLU B 57 ? 0.6843 1.0417 0.8031 0.0770 0.0597 -0.0370 57 GLU B CB 2940 C CG . GLU B 57 ? 0.8628 1.2509 0.9955 0.0569 0.0605 -0.0342 57 GLU B CG 2941 C CD . GLU B 57 ? 1.0045 1.4200 1.1458 0.0680 0.0519 -0.0377 57 GLU B CD 2942 O OE1 . GLU B 57 ? 1.0700 1.4804 1.2054 0.0928 0.0446 -0.0429 57 GLU B OE1 2943 O OE2 . GLU B 57 ? 1.0015 1.4410 1.1529 0.0523 0.0513 -0.0357 57 GLU B OE2 2944 N N . LYS B 58 ? 0.2866 0.5013 0.5521 0.0576 0.0199 -0.1008 58 LYS B N 2945 C CA . LYS B 58 ? 0.3643 0.5447 0.6175 0.0676 0.0219 -0.0949 58 LYS B CA 2946 C C . LYS B 58 ? 0.4734 0.6315 0.7339 0.0536 0.0163 -0.0924 58 LYS B C 2947 O O . LYS B 58 ? 0.4888 0.6204 0.7378 0.0559 0.0180 -0.0889 58 LYS B O 2948 C CB . LYS B 58 ? 0.2656 0.4217 0.5170 0.0739 0.0270 -0.0944 58 LYS B CB 2949 C CG . LYS B 58 ? 0.2784 0.4245 0.5029 0.0965 0.0366 -0.0909 58 LYS B CG 2950 C CD . LYS B 58 ? 0.4119 0.5779 0.6253 0.1062 0.0405 -0.0873 58 LYS B CD 2951 C CE . LYS B 58 ? 0.5023 0.6761 0.6853 0.1286 0.0495 -0.0782 58 LYS B CE 2952 N NZ . LYS B 58 ? 0.5560 0.6844 0.7133 0.1427 0.0612 -0.0738 58 LYS B NZ 2953 N N . MET B 59 ? 0.5336 0.7022 0.8103 0.0383 0.0112 -0.0943 59 MET B N 2954 C CA . MET B 59 ? 0.5577 0.7116 0.8421 0.0270 0.0062 -0.0904 59 MET B CA 2955 C C . MET B 59 ? 0.6418 0.8036 0.9144 0.0290 0.0037 -0.0888 59 MET B C 2956 O O . MET B 59 ? 0.6251 0.8135 0.8923 0.0319 0.0038 -0.0916 59 MET B O 2957 C CB . MET B 59 ? 0.5748 0.7312 0.8756 0.0130 0.0050 -0.0916 59 MET B CB 2958 C CG . MET B 59 ? 0.1394 0.2866 0.4470 0.0043 0.0009 -0.0860 59 MET B CG 2959 S SD . MET B 59 ? 0.4716 0.5990 0.7844 0.0047 -0.0014 -0.0778 59 MET B SD 2960 C CE . MET B 59 ? 0.3558 0.4743 0.6824 0.0051 0.0032 -0.0765 59 MET B CE 2961 N N . ASN B 60 ? 0.7117 0.8536 0.9796 0.0261 0.0019 -0.0844 60 ASN B N 2962 C CA . ASN B 60 ? 0.7981 0.9422 1.0528 0.0276 0.0004 -0.0827 60 ASN B CA 2963 C C . ASN B 60 ? 0.9069 1.0663 1.1743 0.0158 -0.0061 -0.0823 60 ASN B C 2964 O O . ASN B 60 ? 0.9815 1.1377 1.2658 0.0051 -0.0088 -0.0808 60 ASN B O 2965 C CB . ASN B 60 ? 0.7425 0.8587 0.9834 0.0251 0.0024 -0.0796 60 ASN B CB 2966 C CG . ASN B 60 ? 0.8616 0.9662 1.0721 0.0380 0.0099 -0.0791 60 ASN B CG 2967 O OD1 . ASN B 60 ? 0.8488 0.9611 1.0461 0.0554 0.0163 -0.0796 60 ASN B OD1 2968 N ND2 . ASN B 60 ? 0.9830 1.0699 1.1801 0.0306 0.0105 -0.0775 60 ASN B ND2 2969 N N . THR B 61 ? 0.9759 1.1508 1.2329 0.0194 -0.0071 -0.0829 61 THR B N 2970 C CA . THR B 61 ? 0.9659 1.1569 1.2319 0.0081 -0.0120 -0.0836 61 THR B CA 2971 C C . THR B 61 ? 0.8108 0.9864 1.0814 -0.0010 -0.0167 -0.0785 61 THR B C 2972 O O . THR B 61 ? 0.9309 1.0988 1.2163 -0.0101 -0.0186 -0.0755 61 THR B O 2973 C CB . THR B 61 ? 1.1958 1.4155 1.4491 0.0151 -0.0116 -0.0858 61 THR B CB 2974 O OG1 . THR B 61 ? 1.3036 1.5411 1.5473 0.0295 -0.0062 -0.0878 61 THR B OG1 2975 C CG2 . THR B 61 ? 1.1760 1.4178 1.4385 0.0003 -0.0146 -0.0899 61 THR B CG2 2976 N N . GLN B 62 ? 0.5594 0.7321 0.8151 0.0029 -0.0174 -0.0766 62 GLN B N 2977 C CA . GLN B 62 ? 0.6137 0.7746 0.8701 -0.0063 -0.0215 -0.0722 62 GLN B CA 2978 C C . GLN B 62 ? 0.5753 0.7480 0.8467 -0.0172 -0.0272 -0.0701 62 GLN B C 2979 O O . GLN B 62 ? 0.7023 0.8727 0.9895 -0.0235 -0.0279 -0.0672 62 GLN B O 2980 C CB . GLN B 62 ? 0.6875 0.8300 0.9474 -0.0117 -0.0207 -0.0692 62 GLN B CB 2981 C CG . GLN B 62 ? 0.7042 0.8301 0.9458 -0.0167 -0.0189 -0.0680 62 GLN B CG 2982 C CD . GLN B 62 ? 0.9342 1.0427 1.1456 -0.0044 -0.0099 -0.0712 62 GLN B CD 2983 O OE1 . GLN B 62 ? 1.0110 1.1051 1.2112 0.0040 -0.0025 -0.0732 62 GLN B OE1 2984 N NE2 . GLN B 62 ? 1.0157 1.1240 1.2116 -0.0014 -0.0090 -0.0708 62 GLN B NE2 2985 N N . PHE B 63 ? 0.4096 0.5933 0.6736 -0.0178 -0.0296 -0.0707 63 PHE B N 2986 C CA . PHE B 63 ? 0.4268 0.6181 0.7009 -0.0282 -0.0339 -0.0685 63 PHE B CA 2987 C C . PHE B 63 ? 0.4135 0.5946 0.6939 -0.0350 -0.0376 -0.0612 63 PHE B C 2988 O O . PHE B 63 ? 0.5225 0.6973 0.7917 -0.0356 -0.0387 -0.0599 63 PHE B O 2989 C CB . PHE B 63 ? 0.4649 0.6725 0.7282 -0.0271 -0.0357 -0.0710 63 PHE B CB 2990 C CG . PHE B 63 ? 0.4500 0.6608 0.7199 -0.0378 -0.0402 -0.0679 63 PHE B CG 2991 C CD1 . PHE B 63 ? 0.5405 0.7583 0.8176 -0.0467 -0.0387 -0.0702 63 PHE B CD1 2992 C CD2 . PHE B 63 ? 0.4377 0.6422 0.7035 -0.0401 -0.0441 -0.0632 63 PHE B CD2 2993 C CE1 . PHE B 63 ? 0.4549 0.6717 0.7352 -0.0552 -0.0409 -0.0669 63 PHE B CE1 2994 C CE2 . PHE B 63 ? 0.3965 0.6055 0.6685 -0.0486 -0.0480 -0.0597 63 PHE B CE2 2995 C CZ . PHE B 63 ? 0.3409 0.5552 0.6202 -0.0549 -0.0463 -0.0610 63 PHE B CZ 2996 N N . GLU B 64 ? 0.3235 0.5039 0.6192 -0.0399 -0.0378 -0.0560 64 GLU B N 2997 C CA . GLU B 64 ? 0.2991 0.4809 0.6023 -0.0448 -0.0413 -0.0469 64 GLU B CA 2998 C C . GLU B 64 ? 0.3279 0.5128 0.6402 -0.0474 -0.0407 -0.0407 64 GLU B C 2999 O O . GLU B 64 ? 0.4010 0.5806 0.7127 -0.0477 -0.0358 -0.0443 64 GLU B O 3000 C CB . GLU B 64 ? 0.1853 0.3644 0.4958 -0.0436 -0.0398 -0.0425 64 GLU B CB 3001 C CG . GLU B 64 ? 0.4175 0.5875 0.7151 -0.0425 -0.0380 -0.0485 64 GLU B CG 3002 C CD . GLU B 64 ? 0.7771 0.9443 1.0583 -0.0499 -0.0396 -0.0495 64 GLU B CD 3003 O OE1 . GLU B 64 ? 0.9409 1.1186 1.2244 -0.0569 -0.0441 -0.0452 64 GLU B OE1 3004 O OE2 . GLU B 64 ? 0.7750 0.9264 1.0379 -0.0491 -0.0348 -0.0549 64 GLU B OE2 3005 N N . ALA B 65 ? 0.3253 0.5189 0.6430 -0.0501 -0.0443 -0.0314 65 ALA B N 3006 C CA . ALA B 65 ? 0.3588 0.5535 0.6825 -0.0494 -0.0419 -0.0229 65 ALA B CA 3007 C C . ALA B 65 ? 0.3365 0.5428 0.6717 -0.0445 -0.0411 -0.0087 65 ALA B C 3008 O O . ALA B 65 ? 0.3702 0.5965 0.7080 -0.0487 -0.0472 -0.0030 65 ALA B O 3009 C CB . ALA B 65 ? 0.4645 0.6664 0.7825 -0.0554 -0.0470 -0.0236 65 ALA B CB 3010 N N . VAL B 66 ? 0.3101 0.5061 0.6502 -0.0357 -0.0326 -0.0028 66 VAL B N 3011 C CA . VAL B 66 ? 0.3948 0.6063 0.7453 -0.0265 -0.0300 0.0129 66 VAL B CA 3012 C C . VAL B 66 ? 0.5163 0.7320 0.8671 -0.0192 -0.0255 0.0268 66 VAL B C 3013 O O . VAL B 66 ? 0.6236 0.8133 0.9651 -0.0167 -0.0164 0.0259 66 VAL B O 3014 C CB . VAL B 66 ? 0.3844 0.5805 0.7375 -0.0166 -0.0204 0.0153 66 VAL B CB 3015 C CG1 . VAL B 66 ? 0.3772 0.5973 0.7411 -0.0048 -0.0180 0.0331 66 VAL B CG1 3016 C CG2 . VAL B 66 ? 0.1599 0.3490 0.5114 -0.0224 -0.0234 0.0013 66 VAL B CG2 3017 N N . GLY B 67 ? 0.5379 0.7875 0.8969 -0.0169 -0.0307 0.0396 67 GLY B N 3018 C CA . GLY B 67 ? 0.5359 0.7953 0.8949 -0.0078 -0.0267 0.0548 67 GLY B CA 3019 C C . GLY B 67 ? 0.5023 0.8120 0.8722 -0.0063 -0.0335 0.0691 67 GLY B C 3020 O O . GLY B 67 ? 0.5655 0.9011 0.9415 -0.0152 -0.0407 0.0660 67 GLY B O 3021 N N . LYS B 68 ? 0.8955 0.9591 1.1244 -0.1990 -0.0608 0.0713 68 LYS B N 3022 C CA . LYS B 68 ? 1.0554 1.0800 1.2739 -0.1879 -0.0501 0.0924 68 LYS B CA 3023 C C . LYS B 68 ? 1.1360 1.1656 1.3571 -0.1763 -0.0527 0.1148 68 LYS B C 3024 O O . LYS B 68 ? 1.2626 1.2879 1.4669 -0.1635 -0.0536 0.1288 68 LYS B O 3025 C CB . LYS B 68 ? 0.9965 0.9844 1.2298 -0.1961 -0.0312 0.0891 68 LYS B CB 3026 C CG . LYS B 68 ? 1.0215 0.9961 1.2573 -0.2077 -0.0220 0.0656 68 LYS B CG 3027 C CD . LYS B 68 ? 1.0865 1.0653 1.2955 -0.1999 -0.0291 0.0625 68 LYS B CD 3028 C CE . LYS B 68 ? 1.1395 1.1129 1.3530 -0.2144 -0.0200 0.0330 68 LYS B CE 3029 N NZ . LYS B 68 ? 1.1031 1.0814 1.2892 -0.2082 -0.0252 0.0287 68 LYS B NZ 3030 N N . GLU B 69 ? 0.8980 0.9362 1.1432 -0.1831 -0.0506 0.1150 69 GLU B N 3031 C CA . GLU B 69 ? 0.8050 0.8516 1.0596 -0.1759 -0.0506 0.1310 69 GLU B CA 3032 C C . GLU B 69 ? 0.7057 0.7322 0.9488 -0.1661 -0.0412 0.1477 69 GLU B C 3033 O O . GLU B 69 ? 0.6342 0.6700 0.8861 -0.1620 -0.0387 0.1569 69 GLU B O 3034 C CB . GLU B 69 ? 0.8804 0.9616 1.1379 -0.1668 -0.0646 0.1342 69 GLU B CB 3035 C CG . GLU B 69 ? 1.0422 1.1188 1.2764 -0.1504 -0.0663 0.1489 69 GLU B CG 3036 C CD . GLU B 69 ? 1.1666 1.2744 1.4034 -0.1372 -0.0774 0.1576 69 GLU B CD 3037 O OE1 . GLU B 69 ? 1.1830 1.3209 1.4435 -0.1396 -0.0854 0.1522 69 GLU B OE1 3038 O OE2 . GLU B 69 ? 1.1936 1.2963 1.4094 -0.1233 -0.0765 0.1707 69 GLU B OE2 3039 N N . PHE B 70 ? 0.6905 0.6944 0.9172 -0.1631 -0.0351 0.1486 70 PHE B N 3040 C CA . PHE B 70 ? 0.5109 0.5069 0.7283 -0.1539 -0.0274 0.1598 70 PHE B CA 3041 C C . PHE B 70 ? 0.5557 0.5320 0.7713 -0.1529 -0.0173 0.1645 70 PHE B C 3042 O O . PHE B 70 ? 0.5422 0.5001 0.7532 -0.1533 -0.0146 0.1587 70 PHE B O 3043 C CB . PHE B 70 ? 0.5100 0.5051 0.7085 -0.1453 -0.0293 0.1589 70 PHE B CB 3044 C CG . PHE B 70 ? 0.6306 0.6402 0.8296 -0.1407 -0.0325 0.1631 70 PHE B CG 3045 C CD1 . PHE B 70 ? 0.5975 0.6165 0.8104 -0.1390 -0.0255 0.1693 70 PHE B CD1 3046 C CD2 . PHE B 70 ? 0.6308 0.6450 0.8165 -0.1370 -0.0401 0.1616 70 PHE B CD2 3047 C CE1 . PHE B 70 ? 0.5871 0.6132 0.8049 -0.1328 -0.0235 0.1749 70 PHE B CE1 3048 C CE2 . PHE B 70 ? 0.6121 0.6360 0.7976 -0.1282 -0.0402 0.1714 70 PHE B CE2 3049 C CZ . PHE B 70 ? 0.6092 0.6356 0.8130 -0.1256 -0.0306 0.1787 70 PHE B CZ 3050 N N . SER B 71 ? 0.6494 0.6317 0.8691 -0.1502 -0.0103 0.1758 71 SER B N 3051 C CA . SER B 71 ? 0.7087 0.6764 0.9250 -0.1446 0.0002 0.1874 71 SER B CA 3052 C C . SER B 71 ? 0.7166 0.6830 0.9183 -0.1301 0.0011 0.1908 71 SER B C 3053 O O . SER B 71 ? 0.6970 0.6704 0.8914 -0.1277 -0.0049 0.1812 71 SER B O 3054 C CB . SER B 71 ? 0.7143 0.6984 0.9346 -0.1450 0.0066 0.1993 71 SER B CB 3055 O OG . SER B 71 ? 0.5871 0.6005 0.8020 -0.1395 0.0040 0.1982 71 SER B OG 3056 N N . ASN B 72 ? 0.8823 0.8411 1.0804 -0.1191 0.0099 0.2059 72 ASN B N 3057 C CA . ASN B 72 ? 0.9272 0.8931 1.1153 -0.1018 0.0104 0.2106 72 ASN B CA 3058 C C . ASN B 72 ? 0.8225 0.8324 1.0044 -0.0952 0.0066 0.2111 72 ASN B C 3059 O O . ASN B 72 ? 0.7158 0.7450 0.8922 -0.0825 0.0051 0.2089 72 ASN B O 3060 C CB . ASN B 72 ? 0.9942 0.9363 1.1826 -0.0878 0.0225 0.2299 72 ASN B CB 3061 C CG . ASN B 72 ? 1.0604 1.0160 1.2443 -0.0810 0.0296 0.2527 72 ASN B CG 3062 O OD1 . ASN B 72 ? 1.1589 1.1276 1.3455 -0.0943 0.0286 0.2508 72 ASN B OD1 3063 N ND2 . ASN B 72 ? 1.0073 0.9618 1.1841 -0.0586 0.0375 0.2757 72 ASN B ND2 3064 N N . LEU B 73 ? 0.7753 0.8047 0.9617 -0.1052 0.0065 0.2104 73 LEU B N 3065 C CA . LEU B 73 ? 0.8038 0.8771 0.9898 -0.1052 0.0061 0.2024 73 LEU B CA 3066 C C . LEU B 73 ? 0.6956 0.7710 0.8843 -0.1099 0.0036 0.1828 73 LEU B C 3067 O O . LEU B 73 ? 0.4345 0.5410 0.6232 -0.1071 0.0063 0.1713 73 LEU B O 3068 C CB . LEU B 73 ? 0.9664 1.0541 1.1616 -0.1181 0.0096 0.2019 73 LEU B CB 3069 C CG . LEU B 73 ? 0.9714 1.0514 1.1645 -0.1183 0.0155 0.2206 73 LEU B CG 3070 C CD1 . LEU B 73 ? 0.8172 0.9108 1.0235 -0.1341 0.0194 0.2145 73 LEU B CD1 3071 C CD2 . LEU B 73 ? 0.8902 0.9973 1.0671 -0.1013 0.0188 0.2375 73 LEU B CD2 3072 N N . GLU B 74 ? 0.5723 0.6174 0.7632 -0.1175 0.0002 0.1785 74 GLU B N 3073 C CA . GLU B 74 ? 0.6039 0.6452 0.7935 -0.1209 0.0001 0.1653 74 GLU B CA 3074 C C . GLU B 74 ? 0.7032 0.7178 0.8825 -0.1180 -0.0042 0.1625 74 GLU B C 3075 O O . GLU B 74 ? 0.6538 0.6502 0.8322 -0.1240 -0.0092 0.1620 74 GLU B O 3076 C CB . GLU B 74 ? 0.6541 0.6921 0.8538 -0.1301 0.0002 0.1640 74 GLU B CB 3077 C CG . GLU B 74 ? 0.6720 0.7313 0.8863 -0.1358 0.0053 0.1658 74 GLU B CG 3078 C CD . GLU B 74 ? 0.6006 0.6496 0.8252 -0.1422 0.0005 0.1727 74 GLU B CD 3079 O OE1 . GLU B 74 ? 0.4988 0.5277 0.7189 -0.1425 -0.0067 0.1756 74 GLU B OE1 3080 O OE2 . GLU B 74 ? 0.6127 0.6766 0.8531 -0.1483 0.0055 0.1716 74 GLU B OE2 3081 N N . ARG B 75 ? 0.5910 0.8229 0.6283 0.0169 -0.0805 0.0328 75 ARG B N 3082 C CA . ARG B 75 ? 0.5064 0.7313 0.5431 0.0186 -0.0825 0.0340 75 ARG B CA 3083 C C . ARG B 75 ? 0.3831 0.6059 0.4317 0.0180 -0.0796 0.0278 75 ARG B C 3084 O O . ARG B 75 ? 0.3948 0.6130 0.4447 0.0181 -0.0801 0.0279 75 ARG B O 3085 C CB . ARG B 75 ? 0.6000 0.8216 0.6279 0.0274 -0.0877 0.0369 75 ARG B CB 3086 C CG . ARG B 75 ? 0.9167 1.1325 0.9258 0.0275 -0.0923 0.0455 75 ARG B CG 3087 C CD . ARG B 75 ? 1.1838 1.3869 1.1809 0.0274 -0.0960 0.0508 75 ARG B CD 3088 N NE . ARG B 75 ? 1.3557 1.5495 1.3315 0.0206 -0.0992 0.0605 75 ARG B NE 3089 C CZ . ARG B 75 ? 1.4562 1.6372 1.4094 0.0251 -0.1042 0.0671 75 ARG B CZ 3090 N NH1 . ARG B 75 ? 1.4853 1.6647 1.4372 0.0383 -0.1068 0.0643 75 ARG B NH1 3091 N NH2 . ARG B 75 ? 1.4620 1.6302 1.3923 0.0150 -0.1063 0.0769 75 ARG B NH2 3092 N N . ARG B 76 ? 0.3640 0.5894 0.4194 0.0172 -0.0772 0.0228 76 ARG B N 3093 C CA . ARG B 76 ? 0.3326 0.5548 0.3963 0.0154 -0.0752 0.0178 76 ARG B CA 3094 C C . ARG B 76 ? 0.3468 0.5641 0.4119 0.0101 -0.0727 0.0173 76 ARG B C 3095 O O . ARG B 76 ? 0.4617 0.6741 0.5307 0.0084 -0.0718 0.0155 76 ARG B O 3096 C CB . ARG B 76 ? 0.2752 0.5007 0.3425 0.0158 -0.0750 0.0137 76 ARG B CB 3097 C CG . ARG B 76 ? 0.2434 0.4756 0.3108 0.0207 -0.0772 0.0133 76 ARG B CG 3098 C CD . ARG B 76 ? 0.1801 0.4166 0.2498 0.0198 -0.0774 0.0095 76 ARG B CD 3099 N NE . ARG B 76 ? 0.2312 0.4676 0.2968 0.0190 -0.0770 0.0100 76 ARG B NE 3100 C CZ . ARG B 76 ? 0.3425 0.5797 0.4089 0.0174 -0.0772 0.0067 76 ARG B CZ 3101 N NH1 . ARG B 76 ? 0.4050 0.6424 0.4754 0.0152 -0.0783 0.0031 76 ARG B NH1 3102 N NH2 . ARG B 76 ? 0.4316 0.6706 0.4937 0.0179 -0.0767 0.0071 76 ARG B NH2 3103 N N . LEU B 77 ? 0.3306 0.5508 0.3919 0.0079 -0.0714 0.0189 77 LEU B N 3104 C CA . LEU B 77 ? 0.4124 0.6308 0.4741 0.0038 -0.0689 0.0185 77 LEU B CA 3105 C C . LEU B 77 ? 0.4616 0.6787 0.5206 0.0005 -0.0690 0.0226 77 LEU B C 3106 O O . LEU B 77 ? 0.4551 0.6686 0.5161 -0.0024 -0.0674 0.0216 77 LEU B O 3107 C CB . LEU B 77 ? 0.4031 0.6291 0.4617 0.0029 -0.0673 0.0187 77 LEU B CB 3108 C CG . LEU B 77 ? 0.4411 0.6676 0.5013 0.0058 -0.0675 0.0141 77 LEU B CG 3109 C CD1 . LEU B 77 ? 0.5834 0.8138 0.6424 0.0090 -0.0694 0.0142 77 LEU B CD1 3110 C CD2 . LEU B 77 ? 0.4249 0.6584 0.4826 0.0054 -0.0654 0.0133 77 LEU B CD2 3111 N N . GLU B 78 ? 0.4892 0.7087 0.5421 0.0010 -0.0718 0.0277 78 GLU B N 3112 C CA . GLU B 78 ? 0.4096 0.6260 0.4574 -0.0021 -0.0737 0.0326 78 GLU B CA 3113 C C . GLU B 78 ? 0.4022 0.6114 0.4556 0.0007 -0.0740 0.0293 78 GLU B C 3114 O O . GLU B 78 ? 0.4482 0.6539 0.5027 -0.0032 -0.0729 0.0294 78 GLU B O 3115 C CB . GLU B 78 ? 0.4983 0.7145 0.5347 0.0000 -0.0788 0.0392 78 GLU B CB 3116 C CG . GLU B 78 ? 0.8106 1.0316 0.8360 -0.0081 -0.0797 0.0465 78 GLU B CG 3117 C CD . GLU B 78 ? 0.9658 1.1787 0.9732 -0.0065 -0.0863 0.0546 78 GLU B CD 3118 O OE1 . GLU B 78 ? 1.0123 1.2270 1.0071 -0.0137 -0.0876 0.0612 78 GLU B OE1 3119 O OE2 . GLU B 78 ? 0.9965 1.1995 0.9997 0.0022 -0.0903 0.0545 78 GLU B OE2 3120 N N . ASN B 79 ? 0.3459 0.5547 0.4027 0.0069 -0.0753 0.0265 79 ASN B N 3121 C CA . ASN B 79 ? 0.3083 0.5140 0.3705 0.0094 -0.0753 0.0236 79 ASN B CA 3122 C C . ASN B 79 ? 0.4890 0.6910 0.5581 0.0051 -0.0718 0.0193 79 ASN B C 3123 O O . ASN B 79 ? 0.6032 0.8019 0.6748 0.0042 -0.0713 0.0184 79 ASN B O 3124 C CB . ASN B 79 ? 0.3156 0.5259 0.3806 0.0156 -0.0765 0.0213 79 ASN B CB 3125 C CG . ASN B 79 ? 0.4615 0.6730 0.5325 0.0173 -0.0757 0.0184 79 ASN B CG 3126 O OD1 . ASN B 79 ? 0.5123 0.7262 0.5899 0.0150 -0.0735 0.0143 79 ASN B OD1 3127 N ND2 . ASN B 79 ? 0.6038 0.8142 0.6709 0.0214 -0.0779 0.0208 79 ASN B ND2 3128 N N . LEU B 80 ? 0.4350 0.6372 0.5057 0.0031 -0.0699 0.0169 80 LEU B N 3129 C CA . LEU B 80 ? 0.3180 0.5154 0.3922 0.0002 -0.0680 0.0135 80 LEU B CA 3130 C C . LEU B 80 ? 0.2791 0.4737 0.3511 -0.0032 -0.0667 0.0153 80 LEU B C 3131 O O . LEU B 80 ? 0.3435 0.5332 0.4179 -0.0046 -0.0661 0.0139 80 LEU B O 3132 C CB . LEU B 80 ? 0.2795 0.4783 0.3533 0.0003 -0.0676 0.0112 80 LEU B CB 3133 C CG . LEU B 80 ? 0.2384 0.4331 0.3150 -0.0004 -0.0682 0.0072 80 LEU B CG 3134 C CD1 . LEU B 80 ? 0.1198 0.3152 0.1936 0.0001 -0.0685 0.0058 80 LEU B CD1 3135 C CD2 . LEU B 80 ? 0.1697 0.3587 0.2486 -0.0027 -0.0677 0.0063 80 LEU B CD2 3136 N N . ASN B 81 ? 0.2785 0.4779 0.3458 -0.0054 -0.0664 0.0188 81 ASN B N 3137 C CA . ASN B 81 ? 0.2600 0.4599 0.3245 -0.0102 -0.0652 0.0213 81 ASN B CA 3138 C C . ASN B 81 ? 0.3712 0.5667 0.4348 -0.0115 -0.0669 0.0236 81 ASN B C 3139 O O . ASN B 81 ? 0.2802 0.4726 0.3442 -0.0146 -0.0659 0.0234 81 ASN B O 3140 C CB . ASN B 81 ? 0.1873 0.3965 0.2458 -0.0142 -0.0650 0.0261 81 ASN B CB 3141 C CG . ASN B 81 ? 0.3975 0.6106 0.4534 -0.0210 -0.0632 0.0285 81 ASN B CG 3142 O OD1 . ASN B 81 ? 0.5421 0.7590 0.5997 -0.0209 -0.0606 0.0256 81 ASN B OD1 3143 N ND2 . ASN B 81 ? 0.5039 0.7164 0.5543 -0.0272 -0.0653 0.0340 81 ASN B ND2 3144 N N . LYS B 82 ? 0.4327 0.6283 0.4943 -0.0080 -0.0700 0.0257 82 LYS B N 3145 C CA . LYS B 82 ? 0.3933 0.5851 0.4522 -0.0072 -0.0727 0.0281 82 LYS B CA 3146 C C . LYS B 82 ? 0.3597 0.5479 0.4259 -0.0050 -0.0710 0.0233 82 LYS B C 3147 O O . LYS B 82 ? 0.5587 0.7435 0.6241 -0.0069 -0.0714 0.0241 82 LYS B O 3148 C CB . LYS B 82 ? 0.5407 0.7334 0.5931 -0.0012 -0.0775 0.0317 82 LYS B CB 3149 C CG . LYS B 82 ? 0.7071 0.8946 0.7532 0.0024 -0.0818 0.0347 82 LYS B CG 3150 C CD . LYS B 82 ? 0.8439 1.0292 0.8790 0.0116 -0.0874 0.0385 82 LYS B CD 3151 C CE . LYS B 82 ? 0.8760 1.0526 0.9000 0.0184 -0.0923 0.0417 82 LYS B CE 3152 N NZ . LYS B 82 ? 0.8790 1.0619 0.9158 0.0233 -0.0891 0.0353 82 LYS B NZ 3153 N N . LYS B 83 ? 0.1914 0.3807 0.2636 -0.0021 -0.0695 0.0189 83 LYS B N 3154 C CA . LYS B 83 ? 0.1963 0.3835 0.2744 -0.0023 -0.0679 0.0151 83 LYS B CA 3155 C C . LYS B 83 ? 0.3323 0.5137 0.4107 -0.0066 -0.0659 0.0138 83 LYS B C 3156 O O . LYS B 83 ? 0.5376 0.7164 0.6177 -0.0077 -0.0654 0.0129 83 LYS B O 3157 C CB . LYS B 83 ? 0.1142 0.3041 0.1965 -0.0013 -0.0672 0.0117 83 LYS B CB 3158 C CG . LYS B 83 ? 0.4699 0.6676 0.5537 0.0033 -0.0686 0.0118 83 LYS B CG 3159 C CD . LYS B 83 ? 0.5499 0.7513 0.6371 0.0022 -0.0681 0.0086 83 LYS B CD 3160 C CE . LYS B 83 ? 0.6750 0.8869 0.7637 0.0067 -0.0690 0.0084 83 LYS B CE 3161 N NZ . LYS B 83 ? 0.6853 0.9022 0.7762 0.0050 -0.0691 0.0058 83 LYS B NZ 3162 N N . MET B 84 ? 0.2605 0.4413 0.3369 -0.0085 -0.0650 0.0137 84 MET B N 3163 C CA . MET B 84 ? 0.2697 0.4466 0.3458 -0.0110 -0.0637 0.0123 84 MET B CA 3164 C C . MET B 84 ? 0.3479 0.5240 0.4212 -0.0143 -0.0635 0.0151 84 MET B C 3165 O O . MET B 84 ? 0.4773 0.6492 0.5516 -0.0154 -0.0629 0.0137 84 MET B O 3166 C CB . MET B 84 ? 0.3184 0.4982 0.3926 -0.0108 -0.0631 0.0117 84 MET B CB 3167 C CG . MET B 84 ? 0.3119 0.4890 0.3857 -0.0112 -0.0627 0.0096 84 MET B CG 3168 S SD . MET B 84 ? 0.7934 0.9784 0.8642 -0.0101 -0.0621 0.0095 84 MET B SD 3169 C CE . MET B 84 ? 0.3712 0.5650 0.4387 -0.0151 -0.0602 0.0144 84 MET B CE 3170 N N . GLU B 85 ? 0.3908 0.5712 0.4595 -0.0167 -0.0645 0.0195 85 GLU B N 3171 C CA . GLU B 85 ? 0.4786 0.6584 0.5428 -0.0221 -0.0654 0.0234 85 GLU B CA 3172 C C . GLU B 85 ? 0.5354 0.7103 0.6005 -0.0206 -0.0671 0.0232 85 GLU B C 3173 O O . GLU B 85 ? 0.6440 0.8154 0.7088 -0.0235 -0.0665 0.0228 85 GLU B O 3174 C CB . GLU B 85 ? 0.5148 0.6989 0.5715 -0.0263 -0.0682 0.0298 85 GLU B CB 3175 C CG . GLU B 85 ? 0.6638 0.8558 0.7177 -0.0312 -0.0663 0.0316 85 GLU B CG 3176 C CD . GLU B 85 ? 0.9104 1.1054 0.9542 -0.0388 -0.0699 0.0394 85 GLU B CD 3177 O OE1 . GLU B 85 ? 0.9863 1.1759 1.0221 -0.0465 -0.0732 0.0442 85 GLU B OE1 3178 O OE2 . GLU B 85 ? 0.9409 1.1418 0.9826 -0.0380 -0.0702 0.0411 85 GLU B OE2 3179 N N . ASP B 86 ? 0.2445 0.4205 0.3104 -0.0155 -0.0692 0.0234 86 ASP B N 3180 C CA . ASP B 86 ? 0.2983 0.4729 0.3647 -0.0125 -0.0710 0.0235 86 ASP B CA 3181 C C . ASP B 86 ? 0.3533 0.5261 0.4264 -0.0124 -0.0678 0.0186 86 ASP B C 3182 O O . ASP B 86 ? 0.4536 0.6245 0.5264 -0.0133 -0.0682 0.0187 86 ASP B O 3183 C CB . ASP B 86 ? 0.3864 0.5653 0.4521 -0.0050 -0.0738 0.0242 86 ASP B CB 3184 C CG . ASP B 86 ? 0.4978 0.6758 0.5528 -0.0041 -0.0787 0.0303 86 ASP B CG 3185 O OD1 . ASP B 86 ? 0.5903 0.7658 0.6398 -0.0119 -0.0791 0.0339 86 ASP B OD1 3186 O OD2 . ASP B 86 ? 0.5332 0.7124 0.5835 0.0042 -0.0824 0.0318 86 ASP B OD2 3187 N N . GLY B 87 ? 0.3169 0.4898 0.3944 -0.0118 -0.0655 0.0150 87 GLY B N 3188 C CA . GLY B 87 ? 0.3293 0.4997 0.4106 -0.0129 -0.0636 0.0114 87 GLY B CA 3189 C C . GLY B 87 ? 0.3398 0.5049 0.4190 -0.0162 -0.0629 0.0114 87 GLY B C 3190 O O . GLY B 87 ? 0.3997 0.5633 0.4800 -0.0172 -0.0625 0.0105 87 GLY B O 3191 N N . PHE B 88 ? 0.3509 0.5149 0.4269 -0.0180 -0.0627 0.0124 88 PHE B N 3192 C CA . PHE B 88 ? 0.3120 0.4730 0.3857 -0.0209 -0.0622 0.0125 88 PHE B CA 3193 C C . PHE B 88 ? 0.4627 0.6229 0.5333 -0.0241 -0.0634 0.0156 88 PHE B C 3194 O O . PHE B 88 ? 0.5193 0.6764 0.5892 -0.0260 -0.0632 0.0150 88 PHE B O 3195 C CB . PHE B 88 ? 0.1669 0.3309 0.2383 -0.0220 -0.0617 0.0129 88 PHE B CB 3196 C CG . PHE B 88 ? 0.2273 0.3909 0.3001 -0.0187 -0.0617 0.0097 88 PHE B CG 3197 C CD1 . PHE B 88 ? 0.2789 0.4377 0.3526 -0.0173 -0.0627 0.0069 88 PHE B CD1 3198 C CD2 . PHE B 88 ? 0.2353 0.4039 0.3075 -0.0173 -0.0616 0.0099 88 PHE B CD2 3199 C CE1 . PHE B 88 ? 0.3059 0.4641 0.3790 -0.0146 -0.0644 0.0046 88 PHE B CE1 3200 C CE2 . PHE B 88 ? 0.2856 0.4540 0.3579 -0.0140 -0.0627 0.0072 88 PHE B CE2 3201 C CZ . PHE B 88 ? 0.3306 0.4934 0.4030 -0.0126 -0.0646 0.0047 88 PHE B CZ 3202 N N . LEU B 89 ? 0.3175 0.4802 0.3850 -0.0249 -0.0656 0.0194 89 LEU B N 3203 C CA . LEU B 89 ? 0.2977 0.4581 0.3595 -0.0283 -0.0690 0.0236 89 LEU B CA 3204 C C . LEU B 89 ? 0.2698 0.4289 0.3342 -0.0250 -0.0695 0.0218 89 LEU B C 3205 O O . LEU B 89 ? 0.3476 0.5027 0.4087 -0.0283 -0.0709 0.0230 89 LEU B O 3206 C CB . LEU B 89 ? 0.2836 0.4449 0.3389 -0.0284 -0.0735 0.0287 89 LEU B CB 3207 C CG . LEU B 89 ? 0.1425 0.2961 0.1860 -0.0325 -0.0801 0.0346 89 LEU B CG 3208 C CD1 . LEU B 89 ? 0.1568 0.3054 0.1873 -0.0396 -0.0847 0.0411 89 LEU B CD1 3209 C CD2 . LEU B 89 ? 0.6332 0.7865 0.6751 -0.0229 -0.0837 0.0349 89 LEU B CD2 3210 N N . ASP B 90 ? 0.2262 0.3898 0.2962 -0.0192 -0.0684 0.0192 90 ASP B N 3211 C CA . ASP B 90 ? 0.1946 0.3610 0.2678 -0.0164 -0.0680 0.0174 90 ASP B CA 3212 C C . ASP B 90 ? 0.2297 0.3922 0.3051 -0.0201 -0.0652 0.0146 90 ASP B C 3213 O O . ASP B 90 ? 0.1459 0.3086 0.2208 -0.0207 -0.0656 0.0146 90 ASP B O 3214 C CB . ASP B 90 ? 0.2106 0.3850 0.2893 -0.0112 -0.0668 0.0151 90 ASP B CB 3215 C CG . ASP B 90 ? 0.5180 0.6969 0.5934 -0.0052 -0.0702 0.0178 90 ASP B CG 3216 O OD1 . ASP B 90 ? 0.6298 0.8054 0.6969 -0.0039 -0.0748 0.0220 90 ASP B OD1 3217 O OD2 . ASP B 90 ? 0.6224 0.8068 0.7014 -0.0019 -0.0692 0.0161 90 ASP B OD2 3218 N N . VAL B 91 ? 0.2493 0.4084 0.3257 -0.0216 -0.0633 0.0126 91 VAL B N 3219 C CA . VAL B 91 ? 0.1027 0.2576 0.1791 -0.0238 -0.0620 0.0104 91 VAL B CA 3220 C C . VAL B 91 ? 0.2516 0.4024 0.3237 -0.0268 -0.0628 0.0118 91 VAL B C 3221 O O . VAL B 91 ? 0.1051 0.2539 0.1764 -0.0284 -0.0628 0.0113 91 VAL B O 3222 C CB . VAL B 91 ? 0.1541 0.3070 0.2308 -0.0230 -0.0616 0.0082 91 VAL B CB 3223 C CG1 . VAL B 91 ? 0.1017 0.2503 0.1758 -0.0242 -0.0622 0.0068 91 VAL B CG1 3224 C CG2 . VAL B 91 ? 0.3027 0.4587 0.3827 -0.0221 -0.0614 0.0065 91 VAL B CG2 3225 N N . TRP B 92 ? 0.2413 0.3919 0.3102 -0.0287 -0.0635 0.0138 92 TRP B N 3226 C CA . TRP B 92 ? 0.2455 0.3936 0.3099 -0.0331 -0.0643 0.0152 92 TRP B CA 3227 C C . TRP B 92 ? 0.3185 0.4638 0.3788 -0.0362 -0.0670 0.0180 92 TRP B C 3228 O O . TRP B 92 ? 0.3423 0.4840 0.3998 -0.0392 -0.0676 0.0178 92 TRP B O 3229 C CB . TRP B 92 ? 0.2132 0.3644 0.2747 -0.0362 -0.0642 0.0169 92 TRP B CB 3230 C CG . TRP B 92 ? 0.2032 0.3575 0.2670 -0.0330 -0.0625 0.0139 92 TRP B CG 3231 C CD1 . TRP B 92 ? 0.3524 0.5108 0.4178 -0.0306 -0.0618 0.0135 92 TRP B CD1 3232 C CD2 . TRP B 92 ? 0.2921 0.4459 0.3558 -0.0314 -0.0626 0.0113 92 TRP B CD2 3233 N NE1 . TRP B 92 ? 0.4220 0.5825 0.4880 -0.0274 -0.0617 0.0107 92 TRP B NE1 3234 C CE2 . TRP B 92 ? 0.3902 0.5480 0.4551 -0.0276 -0.0625 0.0094 92 TRP B CE2 3235 C CE3 . TRP B 92 ? 0.3396 0.4901 0.4016 -0.0325 -0.0633 0.0105 92 TRP B CE3 3236 C CZ2 . TRP B 92 ? 0.4455 0.6045 0.5096 -0.0243 -0.0639 0.0070 92 TRP B CZ2 3237 C CZ3 . TRP B 92 ? 0.3641 0.5157 0.4255 -0.0294 -0.0644 0.0080 92 TRP B CZ3 3238 C CH2 . TRP B 92 ? 0.3926 0.5484 0.4548 -0.0250 -0.0650 0.0063 92 TRP B CH2 3239 N N . THR B 93 ? 0.3012 0.4479 0.3601 -0.0349 -0.0697 0.0207 93 THR B N 3240 C CA . THR B 93 ? 0.2811 0.4237 0.3334 -0.0364 -0.0746 0.0238 93 THR B CA 3241 C C . THR B 93 ? 0.2876 0.4322 0.3436 -0.0334 -0.0734 0.0212 93 THR B C 3242 O O . THR B 93 ? 0.2157 0.3546 0.2665 -0.0371 -0.0754 0.0218 93 THR B O 3243 C CB . THR B 93 ? 0.3158 0.4593 0.3638 -0.0317 -0.0790 0.0271 93 THR B CB 3244 O OG1 . THR B 93 ? 0.4969 0.6379 0.5394 -0.0361 -0.0810 0.0306 93 THR B OG1 3245 C CG2 . THR B 93 ? 0.4029 0.5253 0.4357 -0.0272 -0.0790 0.0270 93 THR B CG2 3246 N N . TYR B 94 ? 0.2616 0.4139 0.3253 -0.0281 -0.0702 0.0183 94 TYR B N 3247 C CA . TYR B 94 ? 0.1716 0.3286 0.2387 -0.0267 -0.0685 0.0161 94 TYR B CA 3248 C C . TYR B 94 ? 0.3045 0.4550 0.3704 -0.0314 -0.0668 0.0146 94 TYR B C 3249 O O . TYR B 94 ? 0.4632 0.6128 0.5262 -0.0330 -0.0678 0.0148 94 TYR B O 3250 C CB . TYR B 94 ? 0.2261 0.3921 0.3005 -0.0232 -0.0650 0.0134 94 TYR B CB 3251 C CG . TYR B 94 ? 0.3156 0.4906 0.3928 -0.0228 -0.0631 0.0116 94 TYR B CG 3252 C CD1 . TYR B 94 ? 0.3697 0.5554 0.4460 -0.0169 -0.0645 0.0119 94 TYR B CD1 3253 C CD2 . TYR B 94 ? 0.2952 0.4693 0.3740 -0.0277 -0.0602 0.0098 94 TYR B CD2 3254 C CE1 . TYR B 94 ? 0.4487 0.6466 0.5278 -0.0162 -0.0617 0.0096 94 TYR B CE1 3255 C CE2 . TYR B 94 ? 0.3720 0.5561 0.4525 -0.0293 -0.0580 0.0086 94 TYR B CE2 3256 C CZ . TYR B 94 ? 0.4261 0.6234 0.5076 -0.0238 -0.0582 0.0083 94 TYR B CZ 3257 O OH . TYR B 94 ? 0.3832 0.5941 0.4664 -0.0253 -0.0552 0.0065 94 TYR B OH 3258 N N . ASN B 95 ? 0.1906 0.3373 0.2573 -0.0324 -0.0649 0.0131 95 ASN B N 3259 C CA . ASN B 95 ? 0.2421 0.3838 0.3065 -0.0347 -0.0644 0.0116 95 ASN B CA 3260 C C . ASN B 95 ? 0.3159 0.4528 0.3746 -0.0381 -0.0664 0.0130 95 ASN B C 3261 O O . ASN B 95 ? 0.4410 0.5750 0.4969 -0.0399 -0.0669 0.0125 95 ASN B O 3262 C CB . ASN B 95 ? 0.3365 0.4771 0.4019 -0.0330 -0.0635 0.0097 95 ASN B CB 3263 C CG . ASN B 95 ? 0.4886 0.6313 0.5569 -0.0321 -0.0626 0.0080 95 ASN B CG 3264 O OD1 . ASN B 95 ? 0.5227 0.6677 0.5916 -0.0342 -0.0621 0.0080 95 ASN B OD1 3265 N ND2 . ASN B 95 ? 0.4355 0.5786 0.5050 -0.0299 -0.0628 0.0068 95 ASN B ND2 3266 N N . ALA B 96 ? 0.2443 0.3802 0.3000 -0.0403 -0.0679 0.0152 96 ALA B N 3267 C CA . ALA B 96 ? 0.2619 0.3928 0.3106 -0.0459 -0.0701 0.0167 96 ALA B CA 3268 C C . ALA B 96 ? 0.3487 0.4742 0.3916 -0.0483 -0.0738 0.0182 96 ALA B C 3269 O O . ALA B 96 ? 0.4742 0.5947 0.5121 -0.0517 -0.0749 0.0176 96 ALA B O 3270 C CB . ALA B 96 ? 0.1315 0.2624 0.1762 -0.0504 -0.0714 0.0194 96 ALA B CB 3271 N N . GLU B 97 ? 0.3648 0.4901 0.4067 -0.0449 -0.0755 0.0196 97 GLU B N 3272 C CA . GLU B 97 ? 0.3994 0.5095 0.4306 -0.0409 -0.0744 0.0186 97 GLU B CA 3273 C C . GLU B 97 ? 0.4356 0.5493 0.4701 -0.0390 -0.0717 0.0160 97 GLU B C 3274 O O . GLU B 97 ? 0.4769 0.5794 0.5028 -0.0402 -0.0717 0.0151 97 GLU B O 3275 C CB . GLU B 97 ? 0.4289 0.5346 0.4559 -0.0322 -0.0737 0.0188 97 GLU B CB 3276 C CG . GLU B 97 ? 0.6450 0.7408 0.6634 -0.0341 -0.0765 0.0219 97 GLU B CG 3277 C CD . GLU B 97 ? 0.9256 0.9996 0.9259 -0.0265 -0.0776 0.0221 97 GLU B CD 3278 O OE1 . GLU B 97 ? 1.1135 1.1710 1.1014 -0.0256 -0.0778 0.0207 97 GLU B OE1 3279 O OE2 . GLU B 97 ? 0.8927 0.9647 0.8895 -0.0205 -0.0786 0.0234 97 GLU B OE2 3280 N N . LEU B 98 ? 0.3052 0.4336 0.3507 -0.0373 -0.0697 0.0149 98 LEU B N 3281 C CA . LEU B 98 ? 0.2444 0.3760 0.2914 -0.0376 -0.0671 0.0129 98 LEU B CA 3282 C C . LEU B 98 ? 0.3524 0.4795 0.3968 -0.0431 -0.0689 0.0129 98 LEU B C 3283 O O . LEU B 98 ? 0.5326 0.6541 0.5718 -0.0436 -0.0676 0.0117 98 LEU B O 3284 C CB . LEU B 98 ? 0.2169 0.3636 0.2737 -0.0374 -0.0651 0.0121 98 LEU B CB 3285 C CG . LEU B 98 ? 0.2272 0.3827 0.2855 -0.0322 -0.0615 0.0105 98 LEU B CG 3286 C CD1 . LEU B 98 ? 0.3838 0.5364 0.4383 -0.0240 -0.0622 0.0106 98 LEU B CD1 3287 C CD2 . LEU B 98 ? 0.3337 0.5057 0.4013 -0.0351 -0.0601 0.0098 98 LEU B CD2 3288 N N . LEU B 99 ? 0.2547 0.3828 0.3012 -0.0452 -0.0705 0.0133 99 LEU B N 3289 C CA . LEU B 99 ? 0.2833 0.4065 0.3259 -0.0468 -0.0708 0.0122 99 LEU B CA 3290 C C . LEU B 99 ? 0.4599 0.5765 0.4943 -0.0511 -0.0739 0.0129 99 LEU B C 3291 O O . LEU B 99 ? 0.6310 0.7444 0.6610 -0.0523 -0.0748 0.0120 99 LEU B O 3292 C CB . LEU B 99 ? 0.1765 0.3015 0.2212 -0.0453 -0.0699 0.0115 99 LEU B CB 3293 C CG . LEU B 99 ? 0.1282 0.2527 0.1694 -0.0453 -0.0708 0.0099 99 LEU B CG 3294 C CD1 . LEU B 99 ? 0.3163 0.4390 0.3555 -0.0431 -0.0717 0.0085 99 LEU B CD1 3295 C CD2 . LEU B 99 ? 0.1681 0.2985 0.2122 -0.0431 -0.0700 0.0090 99 LEU B CD2 3296 N N . VAL B 100 ? 0.3933 0.5054 0.4232 -0.0538 -0.0761 0.0146 100 VAL B N 3297 C CA . VAL B 100 ? 0.3245 0.4225 0.3423 -0.0575 -0.0775 0.0145 100 VAL B CA 3298 C C . VAL B 100 ? 0.3940 0.4806 0.4048 -0.0528 -0.0749 0.0127 100 VAL B C 3299 O O . VAL B 100 ? 0.4377 0.5172 0.4412 -0.0552 -0.0758 0.0115 100 VAL B O 3300 C CB . VAL B 100 ? 0.2778 0.3657 0.2873 -0.0608 -0.0793 0.0166 100 VAL B CB 3301 C CG1 . VAL B 100 ? 0.3242 0.3910 0.3168 -0.0636 -0.0806 0.0161 100 VAL B CG1 3302 C CG2 . VAL B 100 ? 0.2957 0.3957 0.3097 -0.0681 -0.0815 0.0183 100 VAL B CG2 3303 N N . LEU B 101 ? 0.3346 0.4221 0.3476 -0.0458 -0.0717 0.0121 101 LEU B N 3304 C CA . LEU B 101 ? 0.4064 0.4883 0.4138 -0.0403 -0.0686 0.0100 101 LEU B CA 3305 C C . LEU B 101 ? 0.5651 0.6521 0.5750 -0.0427 -0.0672 0.0090 101 LEU B C 3306 O O . LEU B 101 ? 0.7439 0.8217 0.7450 -0.0429 -0.0670 0.0077 101 LEU B O 3307 C CB . LEU B 101 ? 0.2810 0.3712 0.2931 -0.0324 -0.0654 0.0093 101 LEU B CB 3308 C CG . LEU B 101 ? 0.2865 0.3694 0.2929 -0.0270 -0.0669 0.0101 101 LEU B CG 3309 C CD1 . LEU B 101 ? 0.1960 0.2887 0.2048 -0.0164 -0.0636 0.0082 101 LEU B CD1 3310 C CD2 . LEU B 101 ? 0.3289 0.3874 0.3171 -0.0279 -0.0699 0.0102 101 LEU B CD2 3311 N N . MET B 102 ? 0.4457 0.5453 0.4656 -0.0443 -0.0665 0.0095 102 MET B N 3312 C CA . MET B 102 ? 0.4331 0.5339 0.4521 -0.0465 -0.0655 0.0089 102 MET B CA 3313 C C . MET B 102 ? 0.4741 0.5680 0.4867 -0.0495 -0.0690 0.0087 102 MET B C 3314 O O . MET B 102 ? 0.4804 0.5688 0.4864 -0.0499 -0.0683 0.0079 102 MET B O 3315 C CB . MET B 102 ? 0.3492 0.4599 0.3760 -0.0481 -0.0652 0.0096 102 MET B CB 3316 C CG . MET B 102 ? 0.4093 0.5303 0.4424 -0.0466 -0.0614 0.0093 102 MET B CG 3317 S SD . MET B 102 ? 1.3684 1.4967 1.4055 -0.0515 -0.0609 0.0097 102 MET B SD 3318 C CE . MET B 102 ? 0.3611 0.4918 0.4040 -0.0506 -0.0658 0.0104 102 MET B CE 3319 N N . GLU B 103 ? 0.1557 0.2516 0.1699 -0.0519 -0.0728 0.0094 103 GLU B N 3320 C CA . GLU B 103 ? 0.3461 0.4416 0.3559 -0.0549 -0.0767 0.0089 103 GLU B CA 3321 C C . GLU B 103 ? 0.3581 0.4415 0.3572 -0.0570 -0.0772 0.0079 103 GLU B C 3322 O O . GLU B 103 ? 0.3636 0.4445 0.3567 -0.0582 -0.0790 0.0068 103 GLU B O 3323 C CB . GLU B 103 ? 0.3618 0.4663 0.3772 -0.0564 -0.0786 0.0093 103 GLU B CB 3324 C CG . GLU B 103 ? 0.5181 0.6275 0.5342 -0.0528 -0.0787 0.0074 103 GLU B CG 3325 C CD . GLU B 103 ? 0.6746 0.7845 0.6915 -0.0482 -0.0787 0.0070 103 GLU B CD 3326 O OE1 . GLU B 103 ? 0.6931 0.7978 0.7029 -0.0487 -0.0806 0.0069 103 GLU B OE1 3327 O OE2 . GLU B 103 ? 0.7647 0.8787 0.7873 -0.0450 -0.0775 0.0068 103 GLU B OE2 3328 N N . ASN B 104 ? 0.3994 0.4738 0.3941 -0.0566 -0.0760 0.0082 104 ASN B N 3329 C CA . ASN B 104 ? 0.4354 0.4938 0.4166 -0.0577 -0.0767 0.0070 104 ASN B CA 3330 C C . ASN B 104 ? 0.4880 0.5409 0.4640 -0.0528 -0.0734 0.0052 104 ASN B C 3331 O O . ASN B 104 ? 0.4635 0.5075 0.4296 -0.0544 -0.0747 0.0037 104 ASN B O 3332 C CB . ASN B 104 ? 0.5009 0.5470 0.4749 -0.0566 -0.0768 0.0076 104 ASN B CB 3333 C CG . ASN B 104 ? 0.5790 0.6264 0.5528 -0.0645 -0.0806 0.0096 104 ASN B CG 3334 O OD1 . ASN B 104 ? 0.5501 0.6079 0.5274 -0.0716 -0.0835 0.0100 104 ASN B OD1 3335 N ND2 . ASN B 104 ? 0.7249 0.7628 0.6936 -0.0630 -0.0807 0.0110 104 ASN B ND2 3336 N N . GLU B 105 ? 0.4747 0.5345 0.4570 -0.0477 -0.0691 0.0052 105 GLU B N 3337 C CA . GLU B 105 ? 0.4331 0.4922 0.4115 -0.0446 -0.0653 0.0039 105 GLU B CA 3338 C C . GLU B 105 ? 0.4164 0.4754 0.3924 -0.0482 -0.0669 0.0040 105 GLU B C 3339 O O . GLU B 105 ? 0.3920 0.4431 0.3584 -0.0477 -0.0663 0.0027 105 GLU B O 3340 C CB . GLU B 105 ? 0.3992 0.4711 0.3864 -0.0415 -0.0607 0.0043 105 GLU B CB 3341 C CG . GLU B 105 ? 0.5847 0.6592 0.5675 -0.0398 -0.0559 0.0031 105 GLU B CG 3342 C CD . GLU B 105 ? 0.8814 0.9488 0.8543 -0.0331 -0.0541 0.0006 105 GLU B CD 3343 O OE1 . GLU B 105 ? 0.9728 1.0364 0.9441 -0.0276 -0.0551 -0.0002 105 GLU B OE1 3344 O OE2 . GLU B 105 ? 0.9203 0.9841 0.8850 -0.0326 -0.0520 -0.0006 105 GLU B OE2 3345 N N . ARG B 106 ? 0.3588 0.4257 0.3418 -0.0506 -0.0692 0.0053 106 ARG B N 3346 C CA . ARG B 106 ? 0.3540 0.4198 0.3327 -0.0517 -0.0717 0.0052 106 ARG B CA 3347 C C . ARG B 106 ? 0.3747 0.4358 0.3459 -0.0536 -0.0759 0.0039 106 ARG B C 3348 O O . ARG B 106 ? 0.4211 0.4765 0.3837 -0.0530 -0.0767 0.0030 106 ARG B O 3349 C CB . ARG B 106 ? 0.2714 0.3455 0.2568 -0.0516 -0.0743 0.0062 106 ARG B CB 3350 C CG . ARG B 106 ? 0.3225 0.3974 0.3098 -0.0514 -0.0710 0.0072 106 ARG B CG 3351 C CD . ARG B 106 ? 0.3607 0.4357 0.3464 -0.0502 -0.0746 0.0076 106 ARG B CD 3352 N NE . ARG B 106 ? 0.5094 0.5737 0.4842 -0.0513 -0.0732 0.0082 106 ARG B NE 3353 C CZ . ARG B 106 ? 0.5694 0.6230 0.5314 -0.0498 -0.0753 0.0079 106 ARG B CZ 3354 N NH1 . ARG B 106 ? 0.5831 0.6386 0.5433 -0.0469 -0.0791 0.0066 106 ARG B NH1 3355 N NH2 . ARG B 106 ? 0.4855 0.5265 0.4349 -0.0521 -0.0740 0.0091 106 ARG B NH2 3356 N N . THR B 107 ? 0.2929 0.3564 0.2665 -0.0568 -0.0787 0.0038 107 THR B N 3357 C CA . THR B 107 ? 0.2392 0.3007 0.2058 -0.0612 -0.0831 0.0025 107 THR B CA 3358 C C . THR B 107 ? 0.3495 0.3956 0.3032 -0.0610 -0.0820 0.0008 107 THR B C 3359 O O . THR B 107 ? 0.4760 0.5201 0.4224 -0.0621 -0.0845 -0.0006 107 THR B O 3360 C CB . THR B 107 ? 0.2510 0.3168 0.2202 -0.0675 -0.0860 0.0032 107 THR B CB 3361 O OG1 . THR B 107 ? 0.2904 0.3740 0.2699 -0.0676 -0.0879 0.0039 107 THR B OG1 3362 C CG2 . THR B 107 ? 0.2432 0.3023 0.2014 -0.0746 -0.0897 0.0018 107 THR B CG2 3363 N N . LEU B 108 ? 0.4220 0.4578 0.3720 -0.0582 -0.0784 0.0006 108 LEU B N 3364 C CA . LEU B 108 ? 0.4535 0.4743 0.3898 -0.0561 -0.0772 -0.0015 108 LEU B CA 3365 C C . LEU B 108 ? 0.5449 0.5667 0.4784 -0.0527 -0.0745 -0.0021 108 LEU B C 3366 O O . LEU B 108 ? 0.6242 0.6378 0.5468 -0.0533 -0.0760 -0.0038 108 LEU B O 3367 C CB . LEU B 108 ? 0.3783 0.3897 0.3104 -0.0507 -0.0740 -0.0021 108 LEU B CB 3368 C CG . LEU B 108 ? 0.3912 0.3943 0.3199 -0.0540 -0.0771 -0.0014 108 LEU B CG 3369 C CD1 . LEU B 108 ? 0.3794 0.3672 0.2970 -0.0459 -0.0751 -0.0029 108 LEU B CD1 3370 C CD2 . LEU B 108 ? 0.4505 0.4460 0.3701 -0.0638 -0.0828 -0.0018 108 LEU B CD2 3371 N N . ASP B 109 ? 0.5138 0.5447 0.4555 -0.0502 -0.0708 -0.0005 109 ASP B N 3372 C CA . ASP B 109 ? 0.5345 0.5651 0.4717 -0.0490 -0.0684 -0.0002 109 ASP B CA 3373 C C . ASP B 109 ? 0.6086 0.6385 0.5413 -0.0508 -0.0733 -0.0002 109 ASP B C 3374 O O . ASP B 109 ? 0.6528 0.6761 0.5752 -0.0499 -0.0732 -0.0008 109 ASP B O 3375 C CB . ASP B 109 ? 0.6470 0.6864 0.5922 -0.0487 -0.0643 0.0018 109 ASP B CB 3376 C CG . ASP B 109 ? 0.8499 0.8939 0.7975 -0.0457 -0.0585 0.0012 109 ASP B CG 3377 O OD1 . ASP B 109 ? 0.9896 1.0277 0.9291 -0.0422 -0.0569 -0.0009 109 ASP B OD1 3378 O OD2 . ASP B 109 ? 0.8490 0.9034 0.8058 -0.0463 -0.0559 0.0025 109 ASP B OD2 3379 N N . PHE B 110 ? 0.5775 0.6156 0.5174 -0.0525 -0.0779 0.0002 110 PHE B N 3380 C CA . PHE B 110 ? 0.4090 0.4511 0.3455 -0.0522 -0.0833 -0.0004 110 PHE B CA 3381 C C . PHE B 110 ? 0.3783 0.4151 0.3048 -0.0543 -0.0863 -0.0027 110 PHE B C 3382 O O . PHE B 110 ? 0.5108 0.5450 0.4286 -0.0521 -0.0886 -0.0035 110 PHE B O 3383 C CB . PHE B 110 ? 0.3876 0.4442 0.3345 -0.0532 -0.0873 -0.0001 110 PHE B CB 3384 C CG . PHE B 110 ? 0.4445 0.5107 0.3885 -0.0521 -0.0935 -0.0017 110 PHE B CG 3385 C CD1 . PHE B 110 ? 0.5580 0.6222 0.4951 -0.0457 -0.0956 -0.0019 110 PHE B CD1 3386 C CD2 . PHE B 110 ? 0.4234 0.5006 0.3704 -0.0573 -0.0971 -0.0032 110 PHE B CD2 3387 C CE1 . PHE B 110 ? 0.4720 0.5472 0.4057 -0.0422 -0.1018 -0.0039 110 PHE B CE1 3388 C CE2 . PHE B 110 ? 0.3935 0.4816 0.3412 -0.0530 -0.0994 -0.0057 110 PHE B CE2 3389 C CZ . PHE B 110 ? 0.3152 0.4036 0.2568 -0.0445 -0.1021 -0.0063 110 PHE B CZ 3390 N N . HIS B 111 ? 0.4192 0.4525 0.3449 -0.0587 -0.0868 -0.0037 111 HIS B N 3391 C CA . HIS B 111 ? 0.5351 0.5606 0.4493 -0.0623 -0.0898 -0.0062 111 HIS B CA 3392 C C . HIS B 111 ? 0.5509 0.5630 0.4534 -0.0581 -0.0865 -0.0072 111 HIS B C 3393 O O . HIS B 111 ? 0.5726 0.5813 0.4654 -0.0584 -0.0893 -0.0089 111 HIS B O 3394 C CB . HIS B 111 ? 0.5763 0.5940 0.4876 -0.0682 -0.0907 -0.0068 111 HIS B CB 3395 C CG . HIS B 111 ? 0.5084 0.5391 0.4266 -0.0758 -0.0952 -0.0062 111 HIS B CG 3396 N ND1 . HIS B 111 ? 0.5649 0.6093 0.4832 -0.0808 -0.1005 -0.0075 111 HIS B ND1 3397 C CD2 . HIS B 111 ? 0.4428 0.4769 0.3679 -0.0795 -0.0950 -0.0044 111 HIS B CD2 3398 C CE1 . HIS B 111 ? 0.6217 0.6773 0.5499 -0.0845 -0.0994 -0.0067 111 HIS B CE1 3399 N NE2 . HIS B 111 ? 0.4755 0.5248 0.4057 -0.0861 -0.0981 -0.0045 111 HIS B NE2 3400 N N . ASP B 112 ? 0.4709 0.4779 0.3745 -0.0541 -0.0804 -0.0063 112 ASP B N 3401 C CA . ASP B 112 ? 0.5001 0.4981 0.3934 -0.0501 -0.0761 -0.0072 112 ASP B CA 3402 C C . ASP B 112 ? 0.5093 0.5087 0.3979 -0.0490 -0.0768 -0.0062 112 ASP B C 3403 O O . ASP B 112 ? 0.5711 0.5628 0.4475 -0.0480 -0.0774 -0.0077 112 ASP B O 3404 C CB . ASP B 112 ? 0.5411 0.5417 0.4396 -0.0462 -0.0694 -0.0063 112 ASP B CB 3405 C CG . ASP B 112 ? 0.6952 0.6894 0.5829 -0.0418 -0.0646 -0.0080 112 ASP B CG 3406 O OD1 . ASP B 112 ? 0.8708 0.8597 0.7481 -0.0419 -0.0651 -0.0087 112 ASP B OD1 3407 O OD2 . ASP B 112 ? 0.7092 0.7050 0.5981 -0.0372 -0.0604 -0.0090 112 ASP B OD2 3408 N N . SER B 113 ? 0.3902 0.3973 0.2864 -0.0487 -0.0771 -0.0038 113 SER B N 3409 C CA . SER B 113 ? 0.4311 0.4352 0.3195 -0.0468 -0.0785 -0.0025 113 SER B CA 3410 C C . SER B 113 ? 0.5885 0.5923 0.4690 -0.0458 -0.0851 -0.0046 113 SER B C 3411 O O . SER B 113 ? 0.6548 0.6507 0.5224 -0.0435 -0.0859 -0.0047 113 SER B O 3412 C CB . SER B 113 ? 0.4137 0.4233 0.3092 -0.0460 -0.0792 -0.0001 113 SER B CB 3413 O OG . SER B 113 ? 0.5344 0.5462 0.4260 -0.0427 -0.0858 -0.0007 113 SER B OG 3414 N N . ASN B 114 ? 0.5808 0.5946 0.4686 -0.0483 -0.0900 -0.0062 114 ASN B N 3415 C CA . ASN B 114 ? 0.4785 0.4980 0.3608 -0.0485 -0.0968 -0.0086 114 ASN B CA 3416 C C . ASN B 114 ? 0.4978 0.5065 0.3671 -0.0502 -0.0970 -0.0109 114 ASN B C 3417 O O . ASN B 114 ? 0.6880 0.6961 0.5474 -0.0476 -0.1007 -0.0122 114 ASN B O 3418 C CB . ASN B 114 ? 0.4111 0.4470 0.3043 -0.0535 -0.1013 -0.0097 114 ASN B CB 3419 C CG . ASN B 114 ? 0.3866 0.4366 0.2903 -0.0497 -0.1030 -0.0083 114 ASN B CG 3420 O OD1 . ASN B 114 ? 0.4831 0.5327 0.3821 -0.0424 -0.1046 -0.0078 114 ASN B OD1 3421 N ND2 . ASN B 114 ? 0.3730 0.4334 0.2888 -0.0543 -0.1028 -0.0078 114 ASN B ND2 3422 N N . VAL B 115 ? 0.3390 0.3385 0.2067 -0.0535 -0.0935 -0.0118 115 VAL B N 3423 C CA . VAL B 115 ? 0.3278 0.3146 0.1813 -0.0542 -0.0936 -0.0145 115 VAL B CA 3424 C C . VAL B 115 ? 0.4053 0.3836 0.2486 -0.0486 -0.0895 -0.0136 115 VAL B C 3425 O O . VAL B 115 ? 0.4965 0.4699 0.3275 -0.0475 -0.0922 -0.0152 115 VAL B O 3426 C CB . VAL B 115 ? 0.3236 0.2990 0.1743 -0.0565 -0.0909 -0.0159 115 VAL B CB 3427 C CG1 . VAL B 115 ? 0.3425 0.3023 0.1761 -0.0544 -0.0899 -0.0188 115 VAL B CG1 3428 C CG2 . VAL B 115 ? 0.3229 0.3016 0.1774 -0.0645 -0.0959 -0.0168 115 VAL B CG2 3429 N N . LYS B 116 ? 0.4297 0.4074 0.2774 -0.0461 -0.0831 -0.0109 116 LYS B N 3430 C CA . LYS B 116 ? 0.4010 0.3720 0.2387 -0.0432 -0.0783 -0.0093 116 LYS B CA 3431 C C . LYS B 116 ? 0.5406 0.5097 0.3697 -0.0412 -0.0828 -0.0081 116 LYS B C 3432 O O . LYS B 116 ? 0.6650 0.6254 0.4795 -0.0394 -0.0825 -0.0084 116 LYS B O 3433 C CB . LYS B 116 ? 0.5262 0.5013 0.3718 -0.0434 -0.0715 -0.0064 116 LYS B CB 3434 C CG . LYS B 116 ? 0.6092 0.5793 0.4440 -0.0434 -0.0663 -0.0040 116 LYS B CG 3435 C CD . LYS B 116 ? 0.7229 0.6907 0.5497 -0.0418 -0.0607 -0.0061 116 LYS B CD 3436 C CE . LYS B 116 ? 0.7471 0.7132 0.5633 -0.0438 -0.0548 -0.0033 116 LYS B CE 3437 N NZ . LYS B 116 ? 0.7024 0.6751 0.5263 -0.0485 -0.0512 0.0005 116 LYS B NZ 3438 N N . ASN B 117 ? 0.5655 0.5424 0.4022 -0.0404 -0.0872 -0.0070 117 ASN B N 3439 C CA . ASN B 117 ? 0.4900 0.4649 0.3171 -0.0357 -0.0925 -0.0063 117 ASN B CA 3440 C C . ASN B 117 ? 0.5933 0.5697 0.4112 -0.0339 -0.0987 -0.0096 117 ASN B C 3441 O O . ASN B 117 ? 0.7463 0.7149 0.5493 -0.0292 -0.1012 -0.0092 117 ASN B O 3442 C CB . ASN B 117 ? 0.5117 0.4967 0.3485 -0.0331 -0.0965 -0.0054 117 ASN B CB 3443 C CG . ASN B 117 ? 0.8322 0.8119 0.6724 -0.0341 -0.0915 -0.0018 117 ASN B CG 3444 O OD1 . ASN B 117 ? 0.8613 0.8290 0.6924 -0.0362 -0.0861 0.0005 117 ASN B OD1 3445 N ND2 . ASN B 117 ? 1.0121 1.0021 0.8651 -0.0334 -0.0934 -0.0016 117 ASN B ND2 3446 N N . LEU B 118 ? 0.6786 0.6638 0.5037 -0.0384 -0.1014 -0.0127 118 LEU B N 3447 C CA . LEU B 118 ? 0.6951 0.6830 0.5115 -0.0391 -0.1073 -0.0163 118 LEU B CA 3448 C C . LEU B 118 ? 0.6706 0.6423 0.4716 -0.0387 -0.1039 -0.0171 118 LEU B C 3449 O O . LEU B 118 ? 0.7299 0.6988 0.5181 -0.0360 -0.1079 -0.0187 118 LEU B O 3450 C CB . LEU B 118 ? 0.5568 0.5562 0.3825 -0.0470 -0.1110 -0.0192 118 LEU B CB 3451 C CG . LEU B 118 ? 0.3545 0.3591 0.1724 -0.0503 -0.1171 -0.0233 118 LEU B CG 3452 C CD1 . LEU B 118 ? 0.7059 0.7230 0.5226 -0.0414 -0.1208 -0.0241 118 LEU B CD1 3453 C CD2 . LEU B 118 ? 0.4450 0.4626 0.2761 -0.0584 -0.1181 -0.0254 118 LEU B CD2 3454 N N . TYR B 119 ? 0.5890 0.5515 0.3909 -0.0404 -0.0965 -0.0162 119 TYR B N 3455 C CA . TYR B 119 ? 0.5558 0.5052 0.3435 -0.0390 -0.0923 -0.0172 119 TYR B CA 3456 C C . TYR B 119 ? 0.6157 0.5582 0.3910 -0.0348 -0.0904 -0.0142 119 TYR B C 3457 O O . TYR B 119 ? 0.6210 0.5555 0.3808 -0.0328 -0.0915 -0.0154 119 TYR B O 3458 C CB . TYR B 119 ? 0.5186 0.4642 0.3109 -0.0397 -0.0846 -0.0169 119 TYR B CB 3459 C CG . TYR B 119 ? 0.5773 0.5127 0.3552 -0.0370 -0.0798 -0.0186 119 TYR B CG 3460 C CD1 . TYR B 119 ? 0.6580 0.5848 0.4263 -0.0370 -0.0822 -0.0232 119 TYR B CD1 3461 C CD2 . TYR B 119 ? 0.6467 0.5808 0.4191 -0.0350 -0.0729 -0.0158 119 TYR B CD2 3462 C CE1 . TYR B 119 ? 0.7736 0.6914 0.5277 -0.0330 -0.0779 -0.0252 119 TYR B CE1 3463 C CE2 . TYR B 119 ? 0.7232 0.6515 0.4827 -0.0323 -0.0681 -0.0175 119 TYR B CE2 3464 C CZ . TYR B 119 ? 0.7385 0.6589 0.4892 -0.0302 -0.0706 -0.0224 119 TYR B CZ 3465 O OH . TYR B 119 ? 0.7108 0.6257 0.4475 -0.0259 -0.0659 -0.0247 119 TYR B OH 3466 N N . ASP B 120 ? 0.6417 0.5852 0.4218 -0.0341 -0.0880 -0.0102 120 ASP B N 3467 C CA . ASP B 120 ? 0.7348 0.6675 0.5000 -0.0317 -0.0864 -0.0067 120 ASP B CA 3468 C C . ASP B 120 ? 0.7872 0.7170 0.5406 -0.0261 -0.0948 -0.0074 120 ASP B C 3469 O O . ASP B 120 ? 0.8750 0.7923 0.6095 -0.0234 -0.0950 -0.0061 120 ASP B O 3470 C CB . ASP B 120 ? 0.7187 0.6507 0.4897 -0.0337 -0.0825 -0.0024 120 ASP B CB 3471 C CG . ASP B 120 ? 0.7392 0.6755 0.5187 -0.0387 -0.0735 -0.0015 120 ASP B CG 3472 O OD1 . ASP B 120 ? 0.6632 0.5988 0.4378 -0.0390 -0.0694 -0.0034 120 ASP B OD1 3473 O OD2 . ASP B 120 ? 0.7995 0.7408 0.5897 -0.0414 -0.0708 0.0007 120 ASP B OD2 3474 N N . LYS B 121 ? 0.6980 0.6410 0.4619 -0.0239 -0.1018 -0.0095 121 LYS B N 3475 C CA . LYS B 121 ? 0.6911 0.6377 0.4457 -0.0169 -0.1106 -0.0113 121 LYS B CA 3476 C C . LYS B 121 ? 0.6907 0.6348 0.4334 -0.0169 -0.1131 -0.0145 121 LYS B C 3477 O O . LYS B 121 ? 0.6628 0.6009 0.3912 -0.0105 -0.1159 -0.0143 121 LYS B O 3478 C CB . LYS B 121 ? 0.7022 0.6706 0.4731 -0.0159 -0.1170 -0.0138 121 LYS B CB 3479 C CG . LYS B 121 ? 0.7935 0.7687 0.5636 -0.0054 -0.1213 -0.0132 121 LYS B CG 3480 C CD . LYS B 121 ? 0.8296 0.8353 0.6191 -0.0045 -0.1252 -0.0167 121 LYS B CD 3481 C CE . LYS B 121 ? 0.8828 0.8972 0.6738 0.0060 -0.1279 -0.0156 121 LYS B CE 3482 N NZ . LYS B 121 ? 0.8990 0.9078 0.6951 0.0071 -0.1261 -0.0131 121 LYS B NZ 3483 N N . VAL B 122 ? 0.6951 0.6433 0.4450 -0.0236 -0.1111 -0.0175 122 VAL B N 3484 C CA . VAL B 122 ? 0.6357 0.5798 0.3736 -0.0246 -0.1134 -0.0211 122 VAL B CA 3485 C C . VAL B 122 ? 0.7318 0.6577 0.4518 -0.0223 -0.1077 -0.0190 122 VAL B C 3486 O O . VAL B 122 ? 0.8679 0.7880 0.5718 -0.0180 -0.1112 -0.0198 122 VAL B O 3487 C CB . VAL B 122 ? 0.4564 0.4037 0.2022 -0.0324 -0.1128 -0.0248 122 VAL B CB 3488 C CG1 . VAL B 122 ? 0.4403 0.3773 0.1698 -0.0333 -0.1138 -0.0284 122 VAL B CG1 3489 C CG2 . VAL B 122 ? 0.4542 0.4213 0.2154 -0.0365 -0.1187 -0.0271 122 VAL B CG2 3490 N N . ARG B 123 ? 0.6707 0.5900 0.3938 -0.0251 -0.0987 -0.0165 123 ARG B N 3491 C CA . ARG B 123 ? 0.5605 0.4669 0.2679 -0.0245 -0.0921 -0.0146 123 ARG B CA 3492 C C . ARG B 123 ? 0.6569 0.5523 0.3474 -0.0207 -0.0935 -0.0104 123 ARG B C 3493 O O . ARG B 123 ? 0.7126 0.5972 0.3842 -0.0191 -0.0923 -0.0099 123 ARG B O 3494 C CB . ARG B 123 ? 0.5076 0.4151 0.2235 -0.0282 -0.0823 -0.0127 123 ARG B CB 3495 C CG . ARG B 123 ? 0.5739 0.4749 0.2818 -0.0299 -0.0761 -0.0071 123 ARG B CG 3496 C CD . ARG B 123 ? 0.7380 0.6422 0.4463 -0.0331 -0.0659 -0.0065 123 ARG B CD 3497 N NE . ARG B 123 ? 0.9442 0.8604 0.6722 -0.0355 -0.0618 -0.0065 123 ARG B NE 3498 C CZ . ARG B 123 ? 0.9011 0.8209 0.6368 -0.0396 -0.0589 -0.0024 123 ARG B CZ 3499 N NH1 . ARG B 123 ? 0.9477 0.8571 0.6714 -0.0421 -0.0600 0.0021 123 ARG B NH1 3500 N NH2 . ARG B 123 ? 0.7882 0.7200 0.5417 -0.0411 -0.0555 -0.0029 123 ARG B NH2 3501 N N . MET B 124 ? 0.7543 0.6507 0.4492 -0.0188 -0.0964 -0.0076 124 MET B N 3502 C CA . MET B 124 ? 0.7808 0.6617 0.4564 -0.0145 -0.0984 -0.0034 124 MET B CA 3503 C C . MET B 124 ? 0.8399 0.7209 0.5058 -0.0063 -0.1055 -0.0058 124 MET B C 3504 O O . MET B 124 ? 0.9076 0.7745 0.5567 -0.0021 -0.1052 -0.0029 124 MET B O 3505 C CB . MET B 124 ? 0.7620 0.6435 0.4450 -0.0129 -0.1007 -0.0008 124 MET B CB 3506 C CG . MET B 124 ? 0.7830 0.6420 0.4442 -0.0117 -0.1000 0.0047 124 MET B CG 3507 S SD . MET B 124 ? 1.3079 1.1658 0.9773 -0.0100 -0.1025 0.0069 124 MET B SD 3508 C CE . MET B 124 ? 0.4783 0.3524 0.1748 -0.0216 -0.0927 0.0071 124 MET B CE 3509 N N . GLN B 125 ? 0.7920 0.6917 0.4725 -0.0049 -0.1106 -0.0109 125 GLN B N 3510 C CA . GLN B 125 ? 0.7615 0.6700 0.4404 0.0020 -0.1161 -0.0138 125 GLN B CA 3511 C C . GLN B 125 ? 0.7385 0.6412 0.4056 0.0001 -0.1146 -0.0160 125 GLN B C 3512 O O . GLN B 125 ? 0.7824 0.6809 0.4378 0.0058 -0.1166 -0.0158 125 GLN B O 3513 C CB . GLN B 125 ? 0.7284 0.6633 0.4281 0.0021 -0.1217 -0.0181 125 GLN B CB 3514 C CG . GLN B 125 ? 0.8510 0.8005 0.5505 0.0087 -0.1275 -0.0207 125 GLN B CG 3515 C CD . GLN B 125 ? 1.0407 1.0203 0.7606 0.0070 -0.1322 -0.0241 125 GLN B CD 3516 O OE1 . GLN B 125 ? 1.2151 1.2101 0.9376 0.0129 -0.1367 -0.0247 125 GLN B OE1 3517 N NE2 . GLN B 125 ? 0.9496 0.9375 0.6833 -0.0018 -0.1310 -0.0260 125 GLN B NE2 3518 N N . LEU B 126 ? 0.7690 0.6705 0.4385 -0.0071 -0.1112 -0.0183 126 LEU B N 3519 C CA . LEU B 126 ? 0.7940 0.6902 0.4527 -0.0086 -0.1098 -0.0214 126 LEU B CA 3520 C C . LEU B 126 ? 0.8047 0.6827 0.4430 -0.0077 -0.1034 -0.0177 126 LEU B C 3521 O O . LEU B 126 ? 0.9327 0.8059 0.5587 -0.0054 -0.1034 -0.0191 126 LEU B O 3522 C CB . LEU B 126 ? 0.7800 0.6786 0.4459 -0.0154 -0.1083 -0.0255 126 LEU B CB 3523 C CG . LEU B 126 ? 0.7397 0.6548 0.4223 -0.0193 -0.1143 -0.0300 126 LEU B CG 3524 C CD1 . LEU B 126 ? 0.7686 0.6780 0.4534 -0.0259 -0.1119 -0.0330 126 LEU B CD1 3525 C CD2 . LEU B 126 ? 0.7393 0.6635 0.4193 -0.0174 -0.1197 -0.0337 126 LEU B CD2 3526 N N . ARG B 127 ? 0.6892 0.5585 0.3237 -0.0107 -0.0978 -0.0129 127 ARG B N 3527 C CA . ARG B 127 ? 0.7713 0.6262 0.3869 -0.0129 -0.0902 -0.0087 127 ARG B CA 3528 C C . ARG B 127 ? 0.8324 0.6866 0.4401 -0.0149 -0.0853 -0.0122 127 ARG B C 3529 O O . ARG B 127 ? 0.8140 0.6775 0.4361 -0.0167 -0.0834 -0.0162 127 ARG B O 3530 C CB . ARG B 127 ? 0.7688 0.6123 0.3694 -0.0078 -0.0921 -0.0051 127 ARG B CB 3531 C CG . ARG B 127 ? 0.8597 0.6977 0.4618 -0.0050 -0.0952 -0.0009 127 ARG B CG 3532 C CD . ARG B 127 ? 1.0518 0.8726 0.6341 -0.0002 -0.0961 0.0030 127 ARG B CD 3533 N NE . ARG B 127 ? 1.2410 1.0537 0.8223 0.0045 -0.1000 0.0061 127 ARG B NE 3534 C CZ . ARG B 127 ? 1.4054 1.2277 0.9957 0.0144 -0.1079 0.0033 127 ARG B CZ 3535 N NH1 . ARG B 127 ? 1.4023 1.2441 1.0038 0.0184 -0.1125 -0.0022 127 ARG B NH1 3536 N NH2 . ARG B 127 ? 1.4914 1.3047 1.0788 0.0198 -0.1109 0.0058 127 ARG B NH2 3537 N N . ASP B 128 ? 1.0010 0.8465 0.5912 -0.0134 -0.0820 -0.0106 128 ASP B N 3538 C CA . ASP B 128 ? 1.1444 0.9893 0.7247 -0.0142 -0.0761 -0.0134 128 ASP B CA 3539 C C . ASP B 128 ? 1.2127 1.0596 0.7923 -0.0096 -0.0816 -0.0198 128 ASP B C 3540 O O . ASP B 128 ? 1.3663 1.2108 0.9354 -0.0084 -0.0777 -0.0227 128 ASP B O 3541 C CB . ASP B 128 ? 1.1516 0.9881 0.7131 -0.0167 -0.0684 -0.0082 128 ASP B CB 3542 C CG . ASP B 128 ? 1.1536 0.9801 0.7036 -0.0126 -0.0729 -0.0055 128 ASP B CG 3543 O OD1 . ASP B 128 ? 1.1596 0.9864 0.7173 -0.0080 -0.0812 -0.0060 128 ASP B OD1 3544 O OD2 . ASP B 128 ? 1.1603 0.9799 0.6934 -0.0135 -0.0680 -0.0031 128 ASP B OD2 3545 N N . ASN B 129 ? 0.9484 0.8014 0.5393 -0.0073 -0.0904 -0.0220 129 ASN B N 3546 C CA . ASN B 129 ? 0.8554 0.7129 0.4476 -0.0054 -0.0961 -0.0282 129 ASN B CA 3547 C C . ASN B 129 ? 0.9045 0.7636 0.5031 -0.0087 -0.0958 -0.0337 129 ASN B C 3548 O O . ASN B 129 ? 0.9700 0.8289 0.5662 -0.0088 -0.0993 -0.0391 129 ASN B O 3549 C CB . ASN B 129 ? 0.8538 0.7226 0.4572 -0.0033 -0.1050 -0.0290 129 ASN B CB 3550 C CG . ASN B 129 ? 0.8841 0.7495 0.4761 0.0027 -0.1074 -0.0262 129 ASN B CG 3551 O OD1 . ASN B 129 ? 0.8919 0.7443 0.4671 0.0041 -0.1023 -0.0228 129 ASN B OD1 3552 N ND2 . ASN B 129 ? 0.9073 0.7854 0.5076 0.0062 -0.1149 -0.0276 129 ASN B ND2 3553 N N . VAL B 130 ? 0.9196 0.7790 0.5251 -0.0116 -0.0917 -0.0324 130 VAL B N 3554 C CA . VAL B 130 ? 0.8555 0.7139 0.4659 -0.0137 -0.0914 -0.0374 130 VAL B CA 3555 C C . VAL B 130 ? 0.8363 0.6950 0.4478 -0.0121 -0.0806 -0.0361 130 VAL B C 3556 O O . VAL B 130 ? 0.7705 0.6332 0.3830 -0.0127 -0.0740 -0.0306 130 VAL B O 3557 C CB . VAL B 130 ? 0.8877 0.7547 0.5173 -0.0183 -0.0967 -0.0376 130 VAL B CB 3558 C CG1 . VAL B 130 ? 0.9533 0.8306 0.5916 -0.0196 -0.1051 -0.0390 130 VAL B CG1 3559 C CG2 . VAL B 130 ? 0.8236 0.6982 0.4676 -0.0190 -0.0918 -0.0315 130 VAL B CG2 3560 N N . LYS B 131 ? 0.9028 0.7577 0.5135 -0.0102 -0.0791 -0.0412 131 LYS B N 3561 C CA . LYS B 131 ? 0.8224 0.6821 0.4370 -0.0066 -0.0694 -0.0411 131 LYS B CA 3562 C C . LYS B 131 ? 0.8705 0.7368 0.5058 -0.0091 -0.0693 -0.0404 131 LYS B C 3563 O O . LYS B 131 ? 0.9560 0.8154 0.5936 -0.0102 -0.0750 -0.0445 131 LYS B O 3564 C CB . LYS B 131 ? 0.7834 0.6333 0.3816 0.0001 -0.0680 -0.0478 131 LYS B CB 3565 C CG . LYS B 131 ? 0.8213 0.6787 0.4225 0.0067 -0.0587 -0.0491 131 LYS B CG 3566 C CD . LYS B 131 ? 1.0241 0.8678 0.6081 0.0154 -0.0599 -0.0570 131 LYS B CD 3567 C CE . LYS B 131 ? 1.2213 1.0562 0.7829 0.0182 -0.0612 -0.0598 131 LYS B CE 3568 N NZ . LYS B 131 ? 1.2544 1.0726 0.7962 0.0271 -0.0632 -0.0681 131 LYS B NZ 3569 N N . GLU B 132 ? 0.9457 0.8242 0.5943 -0.0111 -0.0631 -0.0350 132 GLU B N 3570 C CA . GLU B 132 ? 0.9430 0.8291 0.6114 -0.0130 -0.0624 -0.0340 132 GLU B CA 3571 C C . GLU B 132 ? 0.8643 0.7501 0.5320 -0.0065 -0.0581 -0.0385 132 GLU B C 3572 O O . GLU B 132 ? 0.9278 0.8232 0.5935 -0.0018 -0.0495 -0.0382 132 GLU B O 3573 C CB . GLU B 132 ? 1.0382 0.9368 0.7186 -0.0170 -0.0569 -0.0273 132 GLU B CB 3574 C CG . GLU B 132 ? 1.1733 1.0813 0.8739 -0.0186 -0.0554 -0.0261 132 GLU B CG 3575 C CD . GLU B 132 ? 1.2316 1.1492 0.9421 -0.0240 -0.0517 -0.0197 132 GLU B CD 3576 O OE1 . GLU B 132 ? 1.2499 1.1633 0.9500 -0.0268 -0.0515 -0.0160 132 GLU B OE1 3577 O OE2 . GLU B 132 ? 1.2105 1.1378 0.9372 -0.0254 -0.0493 -0.0184 132 GLU B OE2 3578 N N . LEU B 133 ? 0.7095 0.5843 0.3772 -0.0061 -0.0642 -0.0427 133 LEU B N 3579 C CA . LEU B 133 ? 0.7727 0.6402 0.4337 0.0020 -0.0621 -0.0478 133 LEU B CA 3580 C C . LEU B 133 ? 0.8724 0.7533 0.5498 0.0049 -0.0563 -0.0459 133 LEU B C 3581 O O . LEU B 133 ? 0.8004 0.6817 0.4724 0.0148 -0.0520 -0.0495 133 LEU B O 3582 C CB . LEU B 133 ? 0.8372 0.6833 0.4879 -0.0004 -0.0714 -0.0527 133 LEU B CB 3583 C CG . LEU B 133 ? 0.8814 0.7146 0.5143 -0.0034 -0.0779 -0.0558 133 LEU B CG 3584 C CD1 . LEU B 133 ? 0.9153 0.7280 0.5377 -0.0088 -0.0873 -0.0605 133 LEU B CD1 3585 C CD2 . LEU B 133 ? 0.8384 0.6678 0.4527 0.0061 -0.0728 -0.0590 133 LEU B CD2 3586 N N . GLY B 134 ? 0.9753 0.8676 0.6718 -0.0025 -0.0566 -0.0406 134 GLY B N 3587 C CA . GLY B 134 ? 0.9148 0.8220 0.6279 -0.0009 -0.0511 -0.0382 134 GLY B CA 3588 C C . GLY B 134 ? 1.0035 0.9026 0.7232 -0.0006 -0.0558 -0.0399 134 GLY B C 3589 O O . GLY B 134 ? 1.0921 1.0031 0.8270 -0.0001 -0.0528 -0.0377 134 GLY B O 3590 N N . ASN B 135 ? 0.8800 0.7582 0.5868 -0.0018 -0.0635 -0.0438 135 ASN B N 3591 C CA . ASN B 135 ? 0.7545 0.6210 0.4635 -0.0040 -0.0688 -0.0451 135 ASN B CA 3592 C C . ASN B 135 ? 0.7849 0.6546 0.5061 -0.0167 -0.0752 -0.0417 135 ASN B C 3593 O O . ASN B 135 ? 0.8488 0.7109 0.5726 -0.0216 -0.0799 -0.0419 135 ASN B O 3594 C CB . ASN B 135 ? 0.7659 0.6050 0.4504 0.0005 -0.0737 -0.0514 135 ASN B CB 3595 C CG . ASN B 135 ? 0.9534 0.7807 0.6224 -0.0049 -0.0792 -0.0538 135 ASN B CG 3596 O OD1 . ASN B 135 ? 1.0655 0.9054 0.7427 -0.0117 -0.0801 -0.0507 135 ASN B OD1 3597 N ND2 . ASN B 135 ? 0.9712 0.7729 0.6159 -0.0013 -0.0835 -0.0597 135 ASN B ND2 3598 N N . GLY B 136 ? 0.7392 0.6205 0.4662 -0.0214 -0.0754 -0.0387 136 GLY B N 3599 C CA . GLY B 136 ? 0.6613 0.5493 0.3987 -0.0309 -0.0817 -0.0361 136 GLY B CA 3600 C C . GLY B 136 ? 0.7890 0.6703 0.5135 -0.0353 -0.0885 -0.0386 136 GLY B C 3601 O O . GLY B 136 ? 0.7993 0.6885 0.5304 -0.0425 -0.0947 -0.0375 136 GLY B O 3602 N N . CYS B 137 ? 0.9591 0.8278 0.6649 -0.0304 -0.0875 -0.0423 137 CYS B N 3603 C CA . CYS B 137 ? 0.8546 0.7162 0.5461 -0.0341 -0.0941 -0.0453 137 CYS B CA 3604 C C . CYS B 137 ? 0.8257 0.6923 0.5106 -0.0292 -0.0909 -0.0439 137 CYS B C 3605 O O . CYS B 137 ? 0.9366 0.8085 0.6235 -0.0232 -0.0828 -0.0414 137 CYS B O 3606 C CB . CYS B 137 ? 0.7665 0.6048 0.4368 -0.0335 -0.0975 -0.0514 137 CYS B CB 3607 S SG . CYS B 137 ? 1.8094 1.6338 1.4788 -0.0422 -0.1036 -0.0532 137 CYS B SG 3608 N N . PHE B 138 ? 0.6243 0.5471 0.5750 -0.0753 0.0325 -0.0572 138 PHE B N 3609 C CA . PHE B 138 ? 0.5682 0.4878 0.5195 -0.0651 0.0341 -0.0659 138 PHE B CA 3610 C C . PHE B 138 ? 0.6353 0.5409 0.5863 -0.0682 0.0234 -0.0658 138 PHE B C 3611 O O . PHE B 138 ? 0.6110 0.5247 0.5697 -0.0775 0.0193 -0.0600 138 PHE B O 3612 C CB . PHE B 138 ? 0.4668 0.4100 0.4295 -0.0620 0.0406 -0.0691 138 PHE B CB 3613 C CG . PHE B 138 ? 0.5059 0.4661 0.4712 -0.0584 0.0498 -0.0707 138 PHE B CG 3614 C CD1 . PHE B 138 ? 0.5427 0.4955 0.5009 -0.0487 0.0536 -0.0759 138 PHE B CD1 3615 C CD2 . PHE B 138 ? 0.6364 0.6224 0.6100 -0.0668 0.0543 -0.0669 138 PHE B CD2 3616 C CE1 . PHE B 138 ? 0.5549 0.5218 0.5155 -0.0448 0.0609 -0.0778 138 PHE B CE1 3617 C CE2 . PHE B 138 ? 0.6310 0.6352 0.6072 -0.0632 0.0628 -0.0700 138 PHE B CE2 3618 C CZ . PHE B 138 ? 0.5538 0.5463 0.5241 -0.0508 0.0658 -0.0756 138 PHE B CZ 3619 N N . GLU B 139 ? 0.7728 0.6613 0.7150 -0.0615 0.0190 -0.0734 139 GLU B N 3620 C CA . GLU B 139 ? 0.7998 0.6760 0.7411 -0.0632 0.0088 -0.0755 139 GLU B CA 3621 C C . GLU B 139 ? 0.6619 0.5443 0.6038 -0.0612 0.0113 -0.0792 139 GLU B C 3622 O O . GLU B 139 ? 0.6246 0.5083 0.5581 -0.0566 0.0157 -0.0851 139 GLU B O 3623 C CB . GLU B 139 ? 0.8571 0.7160 0.7897 -0.0569 0.0004 -0.0853 139 GLU B CB 3624 C CG . GLU B 139 ? 0.9613 0.8067 0.8938 -0.0583 -0.0127 -0.0886 139 GLU B CG 3625 C CD . GLU B 139 ? 1.1023 0.9374 1.0285 -0.0486 -0.0217 -0.1046 139 GLU B CD 3626 O OE1 . GLU B 139 ? 1.2014 1.0488 1.1216 -0.0436 -0.0153 -0.1166 139 GLU B OE1 3627 O OE2 . GLU B 139 ? 1.1052 0.9213 1.0322 -0.0469 -0.0370 -0.1063 139 GLU B OE2 3628 N N . PHE B 140 ? 0.7098 0.5957 0.6604 -0.0664 0.0066 -0.0750 140 PHE B N 3629 C CA . PHE B 140 ? 0.8205 0.7090 0.7724 -0.0649 0.0050 -0.0776 140 PHE B CA 3630 C C . PHE B 140 ? 0.8568 0.7313 0.7952 -0.0642 -0.0004 -0.0837 140 PHE B C 3631 O O . PHE B 140 ? 0.8331 0.6978 0.7682 -0.0651 -0.0064 -0.0866 140 PHE B O 3632 C CB . PHE B 140 ? 0.7698 0.6686 0.7366 -0.0700 0.0003 -0.0735 140 PHE B CB 3633 C CG . PHE B 140 ? 0.6847 0.6094 0.6664 -0.0700 0.0063 -0.0727 140 PHE B CG 3634 C CD1 . PHE B 140 ? 0.7006 0.6358 0.6900 -0.0627 0.0058 -0.0789 140 PHE B CD1 3635 C CD2 . PHE B 140 ? 0.7468 0.6865 0.7341 -0.0783 0.0101 -0.0668 140 PHE B CD2 3636 C CE1 . PHE B 140 ? 0.7664 0.7308 0.7722 -0.0602 0.0102 -0.0830 140 PHE B CE1 3637 C CE2 . PHE B 140 ? 0.7812 0.7534 0.7824 -0.0796 0.0168 -0.0686 140 PHE B CE2 3638 C CZ . PHE B 140 ? 0.7483 0.7351 0.7605 -0.0688 0.0174 -0.0786 140 PHE B CZ 3639 N N . TYR B 141 ? 0.8130 0.6873 0.7425 -0.0639 -0.0001 -0.0862 141 TYR B N 3640 C CA . TYR B 141 ? 0.7380 0.6051 0.6523 -0.0679 -0.0051 -0.0912 141 TYR B CA 3641 C C . TYR B 141 ? 0.7970 0.6573 0.7157 -0.0719 -0.0149 -0.0883 141 TYR B C 3642 O O . TYR B 141 ? 0.9481 0.8028 0.8543 -0.0772 -0.0206 -0.0913 141 TYR B O 3643 C CB . TYR B 141 ? 0.7386 0.6075 0.6365 -0.0715 -0.0032 -0.0924 141 TYR B CB 3644 C CG . TYR B 141 ? 0.7948 0.6728 0.6837 -0.0696 0.0057 -0.0986 141 TYR B CG 3645 C CD1 . TYR B 141 ? 0.7641 0.6470 0.6516 -0.0664 0.0069 -0.1087 141 TYR B CD1 3646 C CD2 . TYR B 141 ? 0.9288 0.8106 0.8117 -0.0697 0.0107 -0.0963 141 TYR B CD2 3647 C CE1 . TYR B 141 ? 0.9470 0.8412 0.8288 -0.0629 0.0134 -0.1175 141 TYR B CE1 3648 C CE2 . TYR B 141 ? 1.0079 0.9002 0.8833 -0.0682 0.0188 -0.1026 141 TYR B CE2 3649 C CZ . TYR B 141 ? 1.0456 0.9456 0.9213 -0.0645 0.0205 -0.1138 141 TYR B CZ 3650 O OH . TYR B 141 ? 1.0636 0.9770 0.9344 -0.0612 0.0271 -0.1231 141 TYR B OH 3651 N N . HIS B 142 ? 0.6980 0.5626 0.6346 -0.0704 -0.0167 -0.0834 142 HIS B N 3652 C CA . HIS B 142 ? 0.7036 0.5646 0.6481 -0.0735 -0.0261 -0.0815 142 HIS B CA 3653 C C . HIS B 142 ? 0.6826 0.5505 0.6424 -0.0756 -0.0261 -0.0776 142 HIS B C 3654 O O . HIS B 142 ? 0.6582 0.5292 0.6190 -0.0760 -0.0210 -0.0757 142 HIS B O 3655 C CB . HIS B 142 ? 0.7229 0.5862 0.6749 -0.0712 -0.0326 -0.0812 142 HIS B CB 3656 C CG . HIS B 142 ? 0.7491 0.6323 0.7204 -0.0653 -0.0278 -0.0822 142 HIS B CG 3657 N ND1 . HIS B 142 ? 0.7743 0.6617 0.7442 -0.0596 -0.0243 -0.0845 142 HIS B ND1 3658 C CD2 . HIS B 142 ? 0.6699 0.5743 0.6620 -0.0655 -0.0261 -0.0824 142 HIS B CD2 3659 C CE1 . HIS B 142 ? 0.6767 0.5879 0.6668 -0.0548 -0.0204 -0.0878 142 HIS B CE1 3660 N NE2 . HIS B 142 ? 0.6395 0.5641 0.6431 -0.0594 -0.0208 -0.0866 142 HIS B NE2 3661 N N . LYS B 143 ? 0.7391 0.6090 0.7094 -0.0788 -0.0336 -0.0757 143 LYS B N 3662 C CA . LYS B 143 ? 0.8350 0.7143 0.8182 -0.0853 -0.0351 -0.0704 143 LYS B CA 3663 C C . LYS B 143 ? 0.7693 0.6779 0.7724 -0.0858 -0.0316 -0.0706 143 LYS B C 3664 O O . LYS B 143 ? 0.8174 0.7351 0.8321 -0.0833 -0.0373 -0.0748 143 LYS B O 3665 C CB . LYS B 143 ? 0.9566 0.8230 0.9389 -0.0902 -0.0460 -0.0692 143 LYS B CB 3666 C CG . LYS B 143 ? 1.0206 0.8770 1.0008 -0.0976 -0.0515 -0.0638 143 LYS B CG 3667 C CD . LYS B 143 ? 1.0493 0.8907 1.0159 -0.0930 -0.0504 -0.0673 143 LYS B CD 3668 C CE . LYS B 143 ? 0.9851 0.8044 0.9414 -0.0907 -0.0617 -0.0738 143 LYS B CE 3669 N NZ . LYS B 143 ? 0.8689 0.6870 0.8165 -0.0864 -0.0610 -0.0824 143 LYS B NZ 3670 N N . CYS B 144 ? 0.8347 0.7604 0.8420 -0.0887 -0.0232 -0.0678 144 CYS B N 3671 C CA . CYS B 144 ? 0.8227 0.7861 0.8496 -0.0911 -0.0184 -0.0704 144 CYS B CA 3672 C C . CYS B 144 ? 0.9667 0.9467 1.0009 -0.1075 -0.0212 -0.0628 144 CYS B C 3673 O O . CYS B 144 ? 1.1410 1.0977 1.1628 -0.1166 -0.0272 -0.0535 144 CYS B O 3674 C CB . CYS B 144 ? 0.5285 0.5059 0.5544 -0.0884 -0.0076 -0.0714 144 CYS B CB 3675 S SG . CYS B 144 ? 3.2684 3.3021 3.3181 -0.0916 0.0000 -0.0783 144 CYS B SG 3676 N N . ASP B 145 ? 0.9101 0.9321 0.9645 -0.1117 -0.0188 -0.0680 145 ASP B N 3677 C CA . ASP B 145 ? 0.9415 0.9884 1.0026 -0.1318 -0.0210 -0.0603 145 ASP B CA 3678 C C . ASP B 145 ? 0.9525 1.0566 1.0297 -0.1401 -0.0112 -0.0657 145 ASP B C 3679 O O . ASP B 145 ? 1.0170 1.1387 1.1021 -0.1268 -0.0037 -0.0771 145 ASP B O 3680 C CB . ASP B 145 ? 1.0082 1.0555 1.0795 -0.1323 -0.0308 -0.0634 145 ASP B CB 3681 C CG . ASP B 145 ? 1.0806 1.1391 1.1686 -0.1132 -0.0332 -0.0802 145 ASP B CG 3682 O OD1 . ASP B 145 ? 1.1079 1.1419 1.1945 -0.1071 -0.0434 -0.0819 145 ASP B OD1 3683 O OD2 . ASP B 145 ? 1.0973 1.1875 1.1994 -0.1043 -0.0273 -0.0922 145 ASP B OD2 3684 N N . ASP B 146 ? 0.9912 1.0612 0.7738 -0.1339 -0.1252 -0.1268 146 ASP B N 3685 C CA . ASP B 146 ? 1.0146 1.1021 0.8183 -0.1333 -0.1190 -0.1257 146 ASP B CA 3686 C C . ASP B 146 ? 1.0666 1.1714 0.8832 -0.1223 -0.1240 -0.1243 146 ASP B C 3687 O O . ASP B 146 ? 1.1779 1.2916 1.0063 -0.1173 -0.1173 -0.1229 146 ASP B O 3688 C CB . ASP B 146 ? 1.0184 1.1210 0.8386 -0.1454 -0.1191 -0.1297 146 ASP B CB 3689 C CG . ASP B 146 ? 0.9769 1.0627 0.7894 -0.1560 -0.1116 -0.1300 146 ASP B CG 3690 O OD1 . ASP B 146 ? 0.9716 1.0341 0.7644 -0.1547 -0.1093 -0.1290 146 ASP B OD1 3691 O OD2 . ASP B 146 ? 0.9137 1.0097 0.7408 -0.1658 -0.1081 -0.1313 146 ASP B OD2 3692 N N . GLU B 147 ? 1.1095 1.2191 0.9241 -0.1184 -0.1360 -0.1249 147 GLU B N 3693 C CA . GLU B 147 ? 1.1328 1.2566 0.9596 -0.1070 -0.1425 -0.1231 147 GLU B CA 3694 C C . GLU B 147 ? 1.0217 1.1286 0.8356 -0.0961 -0.1393 -0.1179 147 GLU B C 3695 O O . GLU B 147 ? 0.9474 1.0631 0.7741 -0.0864 -0.1394 -0.1163 147 GLU B O 3696 C CB . GLU B 147 ? 1.2301 1.3639 1.0579 -0.1063 -0.1576 -0.1245 147 GLU B CB 3697 C CG . GLU B 147 ? 1.2015 1.3529 1.0430 -0.1175 -0.1620 -0.1308 147 GLU B CG 3698 C CD . GLU B 147 ? 1.0739 1.2099 0.8979 -0.1289 -0.1612 -0.1339 147 GLU B CD 3699 O OE1 . GLU B 147 ? 0.9171 1.0577 0.7505 -0.1399 -0.1558 -0.1380 147 GLU B OE1 3700 O OE2 . GLU B 147 ? 1.0902 1.2095 0.8915 -0.1271 -0.1658 -0.1323 147 GLU B OE2 3701 N N . CYS B 148 ? 1.0335 1.1163 0.8233 -0.0980 -0.1362 -0.1159 148 CYS B N 3702 C CA . CYS B 148 ? 0.9892 1.0544 0.7658 -0.0891 -0.1322 -0.1113 148 CYS B CA 3703 C C . CYS B 148 ? 0.9479 1.0070 0.7268 -0.0887 -0.1188 -0.1114 148 CYS B C 3704 O O . CYS B 148 ? 0.9000 0.9555 0.6808 -0.0798 -0.1149 -0.1092 148 CYS B O 3705 C CB . CYS B 148 ? 0.9260 0.9698 0.6760 -0.0912 -0.1350 -0.1096 148 CYS B CB 3706 S SG . CYS B 148 ? 0.9784 0.9961 0.7097 -0.0878 -0.1235 -0.1070 148 CYS B SG 3707 N N . MET B 149 ? 0.8900 0.9481 0.6690 -0.0984 -0.1123 -0.1140 149 MET B N 3708 C CA . MET B 149 ? 0.7407 0.7941 0.5209 -0.0989 -0.1003 -0.1136 149 MET B CA 3709 C C . MET B 149 ? 0.8303 0.9040 0.6315 -0.0931 -0.0969 -0.1142 149 MET B C 3710 O O . MET B 149 ? 0.8798 0.9498 0.6809 -0.0866 -0.0899 -0.1134 149 MET B O 3711 C CB . MET B 149 ? 0.6523 0.7027 0.4312 -0.1109 -0.0954 -0.1153 149 MET B CB 3712 C CG . MET B 149 ? 0.6361 0.6655 0.3954 -0.1169 -0.0971 -0.1163 149 MET B CG 3713 S SD . MET B 149 ? 1.1447 1.1479 0.8842 -0.1123 -0.0888 -0.1143 149 MET B SD 3714 C CE . MET B 149 ? 1.5399 1.5245 1.2618 -0.1211 -0.0919 -0.1179 149 MET B CE 3715 N N . ASN B 150 ? 0.9849 1.0812 0.8048 -0.0957 -0.1017 -0.1167 150 ASN B N 3716 C CA . ASN B 150 ? 1.1017 1.2207 0.9441 -0.0907 -0.0988 -0.1188 150 ASN B CA 3717 C C . ASN B 150 ? 1.1351 1.2536 0.9813 -0.0771 -0.1020 -0.1180 150 ASN B C 3718 O O . ASN B 150 ? 1.0831 1.2128 0.9428 -0.0710 -0.0965 -0.1201 150 ASN B O 3719 C CB . ASN B 150 ? 1.1136 1.2574 0.9761 -0.0959 -0.1047 -0.1224 150 ASN B CB 3720 C CG . ASN B 150 ? 1.1836 1.3310 1.0475 -0.1097 -0.0996 -0.1235 150 ASN B CG 3721 O OD1 . ASN B 150 ? 1.2236 1.3518 1.0710 -0.1157 -0.0942 -0.1211 150 ASN B OD1 3722 N ND2 . ASN B 150 ? 1.2101 1.3820 1.0950 -0.1150 -0.1013 -0.1271 150 ASN B ND2 3723 N N . SER B 151 ? 1.1811 1.2866 1.0154 -0.0728 -0.1110 -0.1150 151 SER B N 3724 C CA . SER B 151 ? 1.1907 1.2915 1.0268 -0.0604 -0.1147 -0.1127 151 SER B CA 3725 C C . SER B 151 ? 1.1677 1.2513 0.9930 -0.0563 -0.1048 -0.1115 151 SER B C 3726 O O . SER B 151 ? 1.1442 1.2307 0.9798 -0.0469 -0.1026 -0.1123 151 SER B O 3727 C CB . SER B 151 ? 1.1711 1.2608 0.9938 -0.0583 -0.1263 -0.1083 151 SER B CB 3728 O OG . SER B 151 ? 1.1639 1.2297 0.9670 -0.0541 -0.1238 -0.1040 151 SER B OG 3729 N N . VAL B 152 ? 0.9227 0.9887 0.7285 -0.0631 -0.0991 -0.1104 152 VAL B N 3730 C CA . VAL B 152 ? 0.7573 0.8077 0.5528 -0.0602 -0.0897 -0.1099 152 VAL B CA 3731 C C . VAL B 152 ? 0.7434 0.8086 0.5537 -0.0592 -0.0806 -0.1136 152 VAL B C 3732 O O . VAL B 152 ? 0.7845 0.8487 0.5992 -0.0515 -0.0758 -0.1150 152 VAL B O 3733 C CB . VAL B 152 ? 0.6593 0.6897 0.4331 -0.0682 -0.0858 -0.1088 152 VAL B CB 3734 C CG1 . VAL B 152 ? 0.5301 0.5485 0.2968 -0.0657 -0.0757 -0.1093 152 VAL B CG1 3735 C CG2 . VAL B 152 ? 0.5506 0.5654 0.3071 -0.0685 -0.0933 -0.1059 152 VAL B CG2 3736 N N . LYS B 153 ? 0.7443 0.8239 0.5624 -0.0676 -0.0783 -0.1153 153 LYS B N 3737 C CA . LYS B 153 ? 0.7088 0.8033 0.5380 -0.0687 -0.0690 -0.1180 153 LYS B CA 3738 C C . LYS B 153 ? 0.7160 0.8320 0.5675 -0.0602 -0.0692 -0.1224 153 LYS B C 3739 O O . LYS B 153 ? 0.7478 0.8702 0.6048 -0.0561 -0.0614 -0.1254 153 LYS B O 3740 C CB . LYS B 153 ? 0.6855 0.7903 0.5180 -0.0807 -0.0668 -0.1178 153 LYS B CB 3741 C CG . LYS B 153 ? 0.6409 0.7245 0.4537 -0.0893 -0.0649 -0.1144 153 LYS B CG 3742 C CD . LYS B 153 ? 0.7408 0.8328 0.5588 -0.1013 -0.0661 -0.1142 153 LYS B CD 3743 C CE . LYS B 153 ? 0.9278 1.0428 0.7621 -0.1055 -0.0592 -0.1152 153 LYS B CE 3744 N NZ . LYS B 153 ? 0.9745 1.0988 0.8164 -0.1177 -0.0605 -0.1150 153 LYS B NZ 3745 N N . ASN B 154 ? 0.7394 0.8674 0.6045 -0.0572 -0.0783 -0.1234 154 ASN B N 3746 C CA . ASN B 154 ? 0.8206 0.9712 0.7103 -0.0493 -0.0791 -0.1285 154 ASN B CA 3747 C C . ASN B 154 ? 0.8049 0.9469 0.6983 -0.0363 -0.0822 -0.1289 154 ASN B C 3748 O O . ASN B 154 ? 0.8637 1.0225 0.7789 -0.0284 -0.0838 -0.1336 154 ASN B O 3749 C CB . ASN B 154 ? 0.9301 1.1021 0.8377 -0.0522 -0.0871 -0.1305 154 ASN B CB 3750 C CG . ASN B 154 ? 1.0589 1.2237 0.9656 -0.0465 -0.1004 -0.1274 154 ASN B CG 3751 O OD1 . ASN B 154 ? 1.1841 1.3252 1.0704 -0.0453 -0.1039 -0.1221 154 ASN B OD1 3752 N ND2 . ASN B 154 ? 1.0109 1.1972 0.9398 -0.0429 -0.1081 -0.1306 154 ASN B ND2 3753 N N . GLY B 155 ? 0.7576 0.8735 0.6306 -0.0345 -0.0827 -0.1242 155 GLY B N 3754 C CA . GLY B 155 ? 0.8476 0.9523 0.7224 -0.0235 -0.0837 -0.1239 155 GLY B CA 3755 C C . GLY B 155 ? 0.9070 1.0033 0.7820 -0.0173 -0.0955 -0.1190 155 GLY B C 3756 O O . GLY B 155 ? 0.8582 0.9439 0.7354 -0.0083 -0.0968 -0.1177 155 GLY B O 3757 N N . THR B 156 ? 0.9038 1.0047 0.7765 -0.0221 -0.1044 -0.1160 156 THR B N 3758 C CA . THR B 156 ? 0.8775 0.9710 0.7477 -0.0168 -0.1168 -0.1102 156 THR B CA 3759 C C . THR B 156 ? 0.9350 1.0116 0.7789 -0.0247 -0.1212 -0.1044 156 THR B C 3760 O O . THR B 156 ? 0.9320 1.0183 0.7755 -0.0315 -0.1270 -0.1047 156 THR B O 3761 C CB . THR B 156 ? 0.8532 0.9708 0.7477 -0.0131 -0.1265 -0.1125 156 THR B CB 3762 O OG1 . THR B 156 ? 0.8773 1.0129 0.7771 -0.0230 -0.1249 -0.1167 156 THR B OG1 3763 C CG2 . THR B 156 ? 0.8349 0.9665 0.7561 -0.0026 -0.1243 -0.1181 156 THR B CG2 3764 N N . TYR B 157 ? 0.9645 1.0170 0.7877 -0.0240 -0.1182 -0.1000 157 TYR B N 3765 C CA . TYR B 157 ? 0.9385 0.9743 0.7358 -0.0313 -0.1210 -0.0957 157 TYR B CA 3766 C C . TYR B 157 ? 0.9452 0.9668 0.7314 -0.0254 -0.1296 -0.0880 157 TYR B C 3767 O O . TYR B 157 ? 0.9793 0.9917 0.7690 -0.0172 -0.1279 -0.0853 157 TYR B O 3768 C CB . TYR B 157 ? 0.8965 0.9164 0.6770 -0.0369 -0.1095 -0.0973 157 TYR B CB 3769 C CG . TYR B 157 ? 0.8178 0.8177 0.5716 -0.0428 -0.1107 -0.0938 157 TYR B CG 3770 C CD1 . TYR B 157 ? 0.7408 0.7426 0.4850 -0.0524 -0.1141 -0.0951 157 TYR B CD1 3771 C CD2 . TYR B 157 ? 0.8767 0.8563 0.6157 -0.0392 -0.1079 -0.0900 157 TYR B CD2 3772 C CE1 . TYR B 157 ? 0.7662 0.7509 0.4865 -0.0577 -0.1148 -0.0934 157 TYR B CE1 3773 C CE2 . TYR B 157 ? 0.8681 0.8310 0.5829 -0.0448 -0.1082 -0.0876 157 TYR B CE2 3774 C CZ . TYR B 157 ? 0.7964 0.7622 0.5018 -0.0538 -0.1116 -0.0897 157 TYR B CZ 3775 O OH . TYR B 157 ? 0.6920 0.6423 0.3738 -0.0594 -0.1116 -0.0889 157 TYR B OH 3776 N N . ASP B 158 ? 0.9587 0.9788 0.7315 -0.0300 -0.1388 -0.0844 158 ASP B N 3777 C CA . ASP B 158 ? 1.0077 1.0161 0.7681 -0.0252 -0.1481 -0.0759 158 ASP B CA 3778 C C . ASP B 158 ? 1.0338 1.0185 0.7649 -0.0300 -0.1433 -0.0722 158 ASP B C 3779 O O . ASP B 158 ? 1.2020 1.1834 0.9149 -0.0383 -0.1456 -0.0727 158 ASP B O 3780 C CB . ASP B 158 ? 1.0504 1.0727 0.8123 -0.0268 -0.1622 -0.0739 158 ASP B CB 3781 C CG . ASP B 158 ? 1.1164 1.1341 0.8769 -0.0179 -0.1739 -0.0645 158 ASP B CG 3782 O OD1 . ASP B 158 ? 1.2225 1.2244 0.9797 -0.0114 -0.1705 -0.0591 158 ASP B OD1 3783 O OD2 . ASP B 158 ? 1.0699 1.0998 0.8327 -0.0176 -0.1868 -0.0624 158 ASP B OD2 3784 N N . TYR B 159 ? 0.8485 0.8846 0.6743 -0.1047 -0.1621 -0.1352 159 TYR B N 3785 C CA . TYR B 159 ? 0.8442 0.8533 0.6491 -0.1157 -0.1648 -0.1228 159 TYR B CA 3786 C C . TYR B 159 ? 1.0853 1.0729 0.8855 -0.1077 -0.1753 -0.1071 159 TYR B C 3787 O O . TYR B 159 ? 1.2146 1.2036 1.0030 -0.1172 -0.1793 -0.0961 159 TYR B O 3788 C CB . TYR B 159 ? 0.8107 0.7964 0.6042 -0.1244 -0.1570 -0.1313 159 TYR B CB 3789 C CG . TYR B 159 ? 0.8092 0.7674 0.5820 -0.1347 -0.1599 -0.1184 159 TYR B CG 3790 C CD1 . TYR B 159 ? 0.7266 0.6982 0.4891 -0.1503 -0.1584 -0.1102 159 TYR B CD1 3791 C CD2 . TYR B 159 ? 0.9163 0.8364 0.6826 -0.1285 -0.1637 -0.1132 159 TYR B CD2 3792 C CE1 . TYR B 159 ? 0.7668 0.7172 0.5123 -0.1591 -0.1600 -0.0994 159 TYR B CE1 3793 C CE2 . TYR B 159 ? 0.9602 0.8590 0.7067 -0.1395 -0.1664 -0.1017 159 TYR B CE2 3794 C CZ . TYR B 159 ? 0.8982 0.8135 0.6340 -0.1545 -0.1642 -0.0960 159 TYR B CZ 3795 O OH . TYR B 159 ? 1.0123 0.9101 0.7304 -0.1647 -0.1660 -0.0852 159 TYR B OH 3796 N N . PRO B 160 ? 1.1811 1.1509 0.9923 -0.0911 -0.1789 -0.1052 160 PRO B N 3797 C CA . PRO B 160 ? 1.2041 1.1582 1.0097 -0.0869 -0.1900 -0.0860 160 PRO B CA 3798 C C . PRO B 160 ? 1.0529 1.0396 0.8607 -0.0880 -0.1984 -0.0758 160 PRO B C 3799 O O . PRO B 160 ? 1.1231 1.1061 0.9203 -0.0923 -0.2069 -0.0607 160 PRO B O 3800 C CB . PRO B 160 ? 1.2703 1.2035 1.0954 -0.0669 -0.1913 -0.0839 160 PRO B CB 3801 C CG . PRO B 160 ? 1.1719 1.1232 1.0181 -0.0572 -0.1819 -0.1036 160 PRO B CG 3802 C CD . PRO B 160 ? 1.1321 1.0953 0.9635 -0.0761 -0.1725 -0.1190 160 PRO B CD 3803 N N . LYS B 161 ? 0.7186 0.7395 0.5389 -0.0867 -0.1958 -0.0848 161 LYS B N 3804 C CA . LYS B 161 ? 0.7619 0.8154 0.5832 -0.0915 -0.2021 -0.0783 161 LYS B CA 3805 C C . LYS B 161 ? 0.8476 0.8977 0.6487 -0.1117 -0.2003 -0.0759 161 LYS B C 3806 O O . LYS B 161 ? 0.7624 0.8215 0.5552 -0.1190 -0.2062 -0.0675 161 LYS B O 3807 C CB . LYS B 161 ? 0.6724 0.7624 0.5105 -0.0887 -0.1982 -0.0896 161 LYS B CB 3808 C CG . LYS B 161 ? 0.6841 0.8087 0.5224 -0.0975 -0.2032 -0.0853 161 LYS B CG 3809 C CD . LYS B 161 ? 0.7606 0.9233 0.6174 -0.0929 -0.2009 -0.0944 161 LYS B CD 3810 C CE . LYS B 161 ? 0.8336 1.0303 0.6889 -0.1052 -0.2052 -0.0912 161 LYS B CE 3811 N NZ . LYS B 161 ? 0.8608 1.0666 0.7128 -0.1030 -0.2161 -0.0770 161 LYS B NZ 3812 N N . TYR B 162 ? 0.9072 0.9466 0.7021 -0.1211 -0.1911 -0.0835 162 TYR B N 3813 C CA . TYR B 162 ? 0.8764 0.9135 0.6596 -0.1378 -0.1864 -0.0818 162 TYR B CA 3814 C C . TYR B 162 ? 0.8108 0.8171 0.5773 -0.1437 -0.1849 -0.0763 162 TYR B C 3815 O O . TYR B 162 ? 0.7568 0.7593 0.5165 -0.1558 -0.1791 -0.0751 162 TYR B O 3816 C CB . TYR B 162 ? 0.7977 0.8516 0.5902 -0.1451 -0.1776 -0.0888 162 TYR B CB 3817 C CG . TYR B 162 ? 0.8716 0.9587 0.6799 -0.1421 -0.1785 -0.0943 162 TYR B CG 3818 C CD1 . TYR B 162 ? 0.9297 1.0349 0.7407 -0.1508 -0.1790 -0.0936 162 TYR B CD1 3819 C CD2 . TYR B 162 ? 0.8559 0.9578 0.6765 -0.1322 -0.1777 -0.1020 162 TYR B CD2 3820 C CE1 . TYR B 162 ? 0.8963 1.0340 0.7206 -0.1501 -0.1801 -0.0981 162 TYR B CE1 3821 C CE2 . TYR B 162 ? 0.8179 0.9544 0.6530 -0.1301 -0.1785 -0.1070 162 TYR B CE2 3822 C CZ . TYR B 162 ? 0.8390 0.9936 0.6753 -0.1392 -0.1804 -0.1038 162 TYR B CZ 3823 O OH . TYR B 162 ? 0.7967 0.9878 0.6465 -0.1390 -0.1815 -0.1082 162 TYR B OH 3824 N N . GLU B 163 ? 0.8092 0.7936 0.5715 -0.1350 -0.1895 -0.0725 163 GLU B N 3825 C CA . GLU B 163 ? 0.9324 0.8878 0.6781 -0.1415 -0.1886 -0.0671 163 GLU B CA 3826 C C . GLU B 163 ? 0.9667 0.9202 0.6975 -0.1530 -0.1910 -0.0587 163 GLU B C 3827 O O . GLU B 163 ? 0.9258 0.8731 0.6476 -0.1641 -0.1844 -0.0589 163 GLU B O 3828 C CB . GLU B 163 ? 1.1177 1.0476 0.8640 -0.1302 -0.1936 -0.0633 163 GLU B CB 3829 C CG . GLU B 163 ? 1.2395 1.1388 0.9672 -0.1387 -0.1938 -0.0564 163 GLU B CG 3830 C CD . GLU B 163 ? 1.3516 1.2208 1.0832 -0.1282 -0.1976 -0.0521 163 GLU B CD 3831 O OE1 . GLU B 163 ? 1.3186 1.1886 1.0699 -0.1134 -0.1963 -0.0590 163 GLU B OE1 3832 O OE2 . GLU B 163 ? 1.4048 1.2493 1.1217 -0.1348 -0.2010 -0.0419 163 GLU B OE2 3833 N N . GLU B 164 ? 1.1115 1.0748 0.8408 -0.1512 -0.1999 -0.0512 164 GLU B N 3834 C CA . GLU B 164 ? 1.1285 1.0937 0.8415 -0.1645 -0.2022 -0.0449 164 GLU B CA 3835 C C . GLU B 164 ? 0.9762 0.9587 0.6935 -0.1749 -0.1902 -0.0541 164 GLU B C 3836 O O . GLU B 164 ? 0.9557 0.9332 0.6685 -0.1825 -0.1806 -0.0539 164 GLU B O 3837 C CB . GLU B 164 ? 1.2134 1.1910 0.9244 -0.1617 -0.2151 -0.0317 164 GLU B CB 3838 C CG . GLU B 164 ? 1.3743 1.3723 1.1050 -0.1472 -0.2212 -0.0302 164 GLU B CG 3839 C CD . GLU B 164 ? 1.5077 1.5222 1.2394 -0.1441 -0.2352 -0.0113 164 GLU B CD 3840 O OE1 . GLU B 164 ? 1.5163 1.5293 1.2308 -0.1562 -0.2402 -0.0005 164 GLU B OE1 3841 O OE2 . GLU B 164 ? 1.4936 1.5268 1.2444 -0.1300 -0.2413 -0.0058 164 GLU B OE2 3842 N N . GLU B 165 ? 0.8207 0.8231 0.5524 -0.1726 -0.1874 -0.0619 165 GLU B N 3843 C CA . GLU B 165 ? 0.7392 0.7524 0.4815 -0.1802 -0.1732 -0.0703 165 GLU B CA 3844 C C . GLU B 165 ? 0.6677 0.6662 0.4143 -0.1832 -0.1624 -0.0718 165 GLU B C 3845 O O . GLU B 165 ? 0.6060 0.6016 0.3542 -0.1925 -0.1521 -0.0750 165 GLU B O 3846 C CB . GLU B 165 ? 0.8087 0.8453 0.5654 -0.1786 -0.1734 -0.0768 165 GLU B CB 3847 C CG . GLU B 165 ? 0.8849 0.9276 0.6518 -0.1895 -0.1598 -0.0854 165 GLU B CG 3848 C CD . GLU B 165 ? 1.0210 1.0856 0.8022 -0.1894 -0.1597 -0.0906 165 GLU B CD 3849 O OE1 . GLU B 165 ? 1.1168 1.1948 0.9012 -0.1794 -0.1696 -0.0881 165 GLU B OE1 3850 O OE2 . GLU B 165 ? 0.9739 1.0422 0.7634 -0.2006 -0.1496 -0.0978 165 GLU B OE2 3851 N N . SER B 166 ? 0.7735 0.7652 0.5218 -0.1770 -0.1651 -0.0698 166 SER B N 3852 C CA . SER B 166 ? 0.8629 0.8486 0.6157 -0.1814 -0.1565 -0.0679 166 SER B CA 3853 C C . SER B 166 ? 0.8169 0.7856 0.5571 -0.1861 -0.1534 -0.0621 166 SER B C 3854 O O . SER B 166 ? 0.7737 0.7420 0.5173 -0.1943 -0.1451 -0.0605 166 SER B O 3855 C CB . SER B 166 ? 0.9600 0.9491 0.7165 -0.1763 -0.1591 -0.0685 166 SER B CB 3856 O OG . SER B 166 ? 1.0498 1.0594 0.8188 -0.1728 -0.1613 -0.0743 166 SER B OG 3857 N N . LYS B 167 ? 0.8031 0.7585 0.5287 -0.1826 -0.1612 -0.0580 167 LYS B N 3858 C CA . LYS B 167 ? 0.7957 0.7371 0.5081 -0.1880 -0.1591 -0.0515 167 LYS B CA 3859 C C . LYS B 167 ? 0.9436 0.8917 0.6560 -0.1966 -0.1512 -0.0537 167 LYS B C 3860 O O . LYS B 167 ? 1.1194 1.0643 0.8301 -0.2035 -0.1435 -0.0519 167 LYS B O 3861 C CB . LYS B 167 ? 0.7568 0.6830 0.4531 -0.1857 -0.1713 -0.0452 167 LYS B CB 3862 C CG . LYS B 167 ? 0.7868 0.6999 0.4687 -0.1930 -0.1696 -0.0372 167 LYS B CG 3863 C CD . LYS B 167 ? 0.8035 0.7026 0.4687 -0.1940 -0.1840 -0.0278 167 LYS B CD 3864 C CE . LYS B 167 ? 0.8490 0.7236 0.5066 -0.1899 -0.1952 -0.0272 167 LYS B CE 3865 N NZ . LYS B 167 ? 0.8758 0.7330 0.5251 -0.1879 -0.2067 -0.0133 167 LYS B NZ 3866 N N . LEU B 168 ? 0.8091 0.7693 0.5231 -0.1978 -0.1527 -0.0586 168 LEU B N 3867 C CA . LEU B 168 ? 0.8121 0.7802 0.5249 -0.2085 -0.1437 -0.0652 168 LEU B CA 3868 C C . LEU B 168 ? 0.9194 0.8880 0.6454 -0.2160 -0.1311 -0.0742 168 LEU B C 3869 O O . LEU B 168 ? 1.0414 1.0071 0.7657 -0.2259 -0.1214 -0.0788 168 LEU B O 3870 C CB . LEU B 168 ? 0.7456 0.7316 0.4577 -0.2107 -0.1476 -0.0693 168 LEU B CB 3871 C CG . LEU B 168 ? 0.6589 0.6569 0.3674 -0.2244 -0.1375 -0.0785 168 LEU B CG 3872 C CD1 . LEU B 168 ? 0.6497 0.6405 0.3462 -0.2305 -0.1337 -0.0745 168 LEU B CD1 3873 C CD2 . LEU B 168 ? 0.7215 0.7421 0.4251 -0.2274 -0.1448 -0.0771 168 LEU B CD2 3874 N N . ASN B 169 ? 0.7745 0.7476 0.5143 -0.2130 -0.1315 -0.0766 169 ASN B N 3875 C CA . ASN B 169 ? 0.7059 0.6791 0.4649 -0.2187 -0.1195 -0.0805 169 ASN B CA 3876 C C . ASN B 169 ? 0.7691 0.7372 0.5368 -0.2146 -0.1147 -0.0682 169 ASN B C 3877 O O . ASN B 169 ? 0.7702 0.7389 0.5606 -0.2153 -0.1013 -0.0653 169 ASN B O 3878 C CB . ASN B 169 ? 0.6918 0.6760 0.4674 -0.2150 -0.1205 -0.0824 169 ASN B CB 3879 C CG . ASN B 169 ? 0.7829 0.7753 0.5599 -0.2241 -0.1170 -0.0964 169 ASN B CG 3880 O OD1 . ASN B 169 ? 0.8757 0.8636 0.6551 -0.2345 -0.1049 -0.1069 169 ASN B OD1 3881 N ND2 . ASN B 169 ? 0.7642 0.7712 0.5416 -0.2204 -0.1256 -0.0976 169 ASN B ND2 3882 N N . ARG B 170 ? 0.8342 0.7981 0.5855 -0.2109 -0.1250 -0.0602 170 ARG B N 3883 C CA . ARG B 170 ? 0.7790 0.7433 0.5340 -0.2104 -0.1218 -0.0485 170 ARG B CA 3884 C C . ARG B 170 ? 0.9206 0.8796 0.6691 -0.2165 -0.1150 -0.0465 170 ARG B C 3885 O O . ARG B 170 ? 1.0706 1.0364 0.8363 -0.2170 -0.1047 -0.0384 170 ARG B O 3886 C CB . ARG B 170 ? 0.7142 0.6747 0.4530 -0.2075 -0.1333 -0.0445 170 ARG B CB 3887 C CG . ARG B 170 ? 0.7163 0.6823 0.4552 -0.2113 -0.1305 -0.0337 170 ARG B CG 3888 C CD . ARG B 170 ? 0.6269 0.5911 0.3564 -0.2088 -0.1370 -0.0344 170 ARG B CD 3889 N NE . ARG B 170 ? 0.7571 0.7003 0.4724 -0.2018 -0.1427 -0.0387 170 ARG B NE 3890 C CZ . ARG B 170 ? 0.9139 0.8517 0.6289 -0.1937 -0.1493 -0.0458 170 ARG B CZ 3891 N NH1 . ARG B 170 ? 1.0408 0.9945 0.7693 -0.1903 -0.1492 -0.0512 170 ARG B NH1 3892 N NH2 . ARG B 170 ? 0.8973 0.8152 0.5984 -0.1905 -0.1573 -0.0464 170 ARG B NH2 3893 N N . ASN B 171 ? 0.9177 0.8689 0.6433 -0.2216 -0.1208 -0.0523 171 ASN B N 3894 C CA . ASN B 171 ? 0.9715 0.9216 0.6881 -0.2295 -0.1147 -0.0523 171 ASN B CA 3895 C C . ASN B 171 ? 0.9679 0.9229 0.6973 -0.2349 -0.1006 -0.0659 171 ASN B C 3896 O O . ASN B 171 ? 0.8798 0.8372 0.5984 -0.2438 -0.0956 -0.0718 171 ASN B O 3897 C CB . ASN B 171 ? 0.9705 0.9140 0.6640 -0.2292 -0.1240 -0.0477 171 ASN B CB 3898 C CG . ASN B 171 ? 0.8481 0.7818 0.5372 -0.2200 -0.1334 -0.0379 171 ASN B CG 3899 O OD1 . ASN B 171 ? 0.9141 0.8415 0.5976 -0.2137 -0.1420 -0.0367 171 ASN B OD1 3900 N ND2 . ASN B 171 ? 0.6733 0.6076 0.3648 -0.2215 -0.1319 -0.0316 171 ASN B ND2 3901 N N . GLU B 172 ? 1.1086 1.0656 0.8609 -0.2313 -0.0933 -0.0721 172 GLU B N 3902 C CA . GLU B 172 ? 1.1269 1.0848 0.8946 -0.2377 -0.0772 -0.0884 172 GLU B CA 3903 C C . GLU B 172 ? 0.9631 0.9197 0.7560 -0.2361 -0.0585 -0.0864 172 GLU B C 3904 O O . GLU B 172 ? 0.8796 0.8379 0.6681 -0.2440 -0.0483 -0.0975 172 GLU B O 3905 C CB . GLU B 172 ? 1.2773 1.2356 1.0640 -0.2350 -0.0748 -0.0936 172 GLU B CB 3906 C CG . GLU B 172 ? 1.4493 1.4056 1.2499 -0.2448 -0.0580 -0.1141 172 GLU B CG 3907 C CD . GLU B 172 ? 1.6121 1.5684 1.4317 -0.2436 -0.0560 -0.1173 172 GLU B CD 3908 O OE1 . GLU B 172 ? 1.6340 1.5868 1.4815 -0.2347 -0.0510 -0.1043 172 GLU B OE1 3909 O OE2 . GLU B 172 ? 1.6787 1.6423 1.4851 -0.2532 -0.0599 -0.1311 172 GLU B OE2 3910 N N . VAL C 2 ? 1.5782 1.1093 1.1358 -0.2001 0.2000 0.0298 2 VAL H N 3911 C CA . VAL C 2 ? 1.4929 1.0431 1.0599 -0.2049 0.1851 0.0326 2 VAL H CA 3912 C C . VAL C 2 ? 1.4892 1.0494 1.0742 -0.1969 0.1809 0.0385 2 VAL H C 3913 O O . VAL C 2 ? 1.4422 1.0076 1.0401 -0.1864 0.1849 0.0433 2 VAL H O 3914 C CB . VAL C 2 ? 1.3547 0.9252 0.9295 -0.2065 0.1771 0.0351 2 VAL H CB 3915 C CG1 . VAL C 2 ? 1.2507 0.8409 0.8366 -0.2100 0.1625 0.0387 2 VAL H CG1 3916 C CG2 . VAL C 2 ? 1.2871 0.8479 0.8434 -0.2154 0.1805 0.0291 2 VAL H CG2 3917 N N . GLN C 3 ? 1.5622 1.1254 1.1477 -0.2021 0.1728 0.0384 3 GLN H N 3918 C CA . GLN C 3 ? 1.4947 1.0637 1.0942 -0.1955 0.1699 0.0431 3 GLN H CA 3919 C C . GLN C 3 ? 1.3661 0.9597 0.9826 -0.1953 0.1564 0.0484 3 GLN H C 3920 O O . GLN C 3 ? 1.3508 0.9505 0.9642 -0.2037 0.1479 0.0471 3 GLN H O 3921 C CB . GLN C 3 ? 1.5510 1.1023 1.1385 -0.2001 0.1728 0.0390 3 GLN H CB 3922 C CG . GLN C 3 ? 1.6419 1.1667 1.2090 -0.2025 0.1857 0.0325 3 GLN H CG 3923 C CD . GLN C 3 ? 1.7036 1.2104 1.2672 -0.1975 0.1939 0.0319 3 GLN H CD 3924 O OE1 . GLN C 3 ? 1.7107 1.2229 1.2827 -0.1963 0.1883 0.0346 3 GLN H OE1 3925 N NE2 . GLN C 3 ? 1.7415 1.2264 1.2926 -0.1943 0.2075 0.0284 3 GLN H NE2 3926 N N . LEU C 4 ? 1.2276 0.8353 0.8619 -0.1857 0.1549 0.0545 4 LEU H N 3927 C CA . LEU C 4 ? 1.1112 0.7400 0.7623 -0.1840 0.1437 0.0597 4 LEU H CA 3928 C C . LEU C 4 ? 1.1475 0.7732 0.8052 -0.1796 0.1438 0.0620 4 LEU H C 3929 O O . LEU C 4 ? 1.1517 0.7736 0.8158 -0.1708 0.1500 0.0648 4 LEU H O 3930 C CB . LEU C 4 ? 1.0117 0.6570 0.6777 -0.1765 0.1418 0.0650 4 LEU H CB 3931 C CG . LEU C 4 ? 1.0497 0.6996 0.7109 -0.1797 0.1417 0.0634 4 LEU H CG 3932 C CD1 . LEU C 4 ? 1.0325 0.6872 0.7022 -0.1710 0.1474 0.0668 4 LEU H CD1 3933 C CD2 . LEU C 4 ? 1.0473 0.7151 0.7148 -0.1842 0.1299 0.0653 4 LEU H CD2 3934 N N . VAL C 5 ? 1.1596 0.7868 0.8155 -0.1857 0.1373 0.0609 5 VAL H N 3935 C CA . VAL C 5 ? 1.0927 0.7171 0.7543 -0.1823 0.1371 0.0628 5 VAL H CA 3936 C C . VAL C 5 ? 1.0764 0.7217 0.7544 -0.1810 0.1262 0.0678 5 VAL H C 3937 O O . VAL C 5 ? 1.0983 0.7554 0.7774 -0.1868 0.1182 0.0678 5 VAL H O 3938 C CB . VAL C 5 ? 1.1527 0.7582 0.7977 -0.1898 0.1406 0.0572 5 VAL H CB 3939 C CG1 . VAL C 5 ? 1.0480 0.6593 0.6859 -0.2012 0.1324 0.0545 5 VAL H CG1 3940 C CG2 . VAL C 5 ? 1.3110 0.9118 0.9615 -0.1853 0.1418 0.0593 5 VAL H CG2 3941 N N . GLU C 6 ? 1.0270 0.6767 0.7176 -0.1730 0.1262 0.0723 6 GLU H N 3942 C CA . GLU C 6 ? 1.1024 0.7713 0.8091 -0.1706 0.1170 0.0772 6 GLU H CA 3943 C C . GLU C 6 ? 1.1751 0.8413 0.8862 -0.1688 0.1162 0.0787 6 GLU H C 3944 O O . GLU C 6 ? 1.2096 0.8591 0.9125 -0.1680 0.1231 0.0765 6 GLU H O 3945 C CB . GLU C 6 ? 1.0599 0.7424 0.7808 -0.1621 0.1162 0.0823 6 GLU H CB 3946 C CG . GLU C 6 ? 1.0482 0.7206 0.7660 -0.1562 0.1258 0.0824 6 GLU H CG 3947 C CD . GLU C 6 ? 1.1465 0.8338 0.8785 -0.1486 0.1244 0.0877 6 GLU H CD 3948 O OE1 . GLU C 6 ? 1.1697 0.8740 0.9136 -0.1478 0.1161 0.0911 6 GLU H OE1 3949 O OE2 . GLU C 6 ? 1.1834 0.8653 0.9145 -0.1435 0.1319 0.0886 6 GLU H OE2 3950 N N . SER C 7 ? 1.2336 0.9160 0.9574 -0.1680 0.1080 0.0824 7 SER H N 3951 C CA . SER C 7 ? 1.2435 0.9260 0.9737 -0.1655 0.1067 0.0845 7 SER H CA 3952 C C . SER C 7 ? 1.2647 0.9452 1.0029 -0.1556 0.1116 0.0883 7 SER H C 3953 O O . SER C 7 ? 1.2739 0.9595 1.0172 -0.1504 0.1134 0.0906 7 SER H O 3954 C CB . SER C 7 ? 1.1843 0.8853 0.9267 -0.1664 0.0972 0.0878 7 SER H CB 3955 O OG . SER C 7 ? 1.1500 0.8517 0.8988 -0.1640 0.0961 0.0899 7 SER H OG 3956 N N . GLY C 8 ? 1.0252 0.6984 0.7643 -0.1532 0.1137 0.0892 8 GLY H N 3957 C CA . GLY C 8 ? 0.9801 0.6507 0.7261 -0.1439 0.1184 0.0931 8 GLY H CA 3958 C C . GLY C 8 ? 1.0561 0.7357 0.8141 -0.1404 0.1137 0.0974 8 GLY H C 3959 O O . GLY C 8 ? 1.0323 0.7144 0.7901 -0.1453 0.1090 0.0963 8 GLY H O 3960 N N . ALA C 9 ? 1.4087 1.0935 1.1769 -0.1320 0.1150 0.1024 9 ALA H N 3961 C CA . ALA C 9 ? 1.4371 1.1283 1.2157 -0.1277 0.1119 0.1067 9 ALA H CA 3962 C C . ALA C 9 ? 1.3641 1.0715 1.1518 -0.1309 0.1029 0.1079 9 ALA H C 3963 O O . ALA C 9 ? 1.4251 1.1298 1.2092 -0.1362 0.1006 0.1057 9 ALA H O 3964 C CB . ALA C 9 ? 1.4800 1.1539 1.2505 -0.1277 0.1170 0.1051 9 ALA H CB 3965 N N . ASP C 10 ? 1.0923 0.8163 0.8915 -0.1276 0.0982 0.1115 10 ASP H N 3966 C CA . ASP C 10 ? 1.0609 0.8004 0.8696 -0.1292 0.0906 0.1130 10 ASP H CA 3967 C C . ASP C 10 ? 0.9687 0.7184 0.7904 -0.1226 0.0883 0.1184 10 ASP H C 3968 O O . ASP C 10 ? 0.9586 0.7107 0.7847 -0.1170 0.0903 0.1216 10 ASP H O 3969 C CB . ASP C 10 ? 1.2117 0.9617 1.0218 -0.1316 0.0869 0.1121 10 ASP H CB 3970 C CG . ASP C 10 ? 1.3255 1.0806 1.1342 -0.1382 0.0817 0.1099 10 ASP H CG 3971 O OD1 . ASP C 10 ? 1.4234 1.1781 1.2335 -0.1398 0.0800 0.1100 10 ASP H OD1 3972 O OD2 . ASP C 10 ? 1.2580 1.0177 1.0640 -0.1417 0.0794 0.1081 10 ASP H OD2 3973 N N . MET C 11 ? 0.9134 0.6693 0.7407 -0.1236 0.0841 0.1194 11 MET H N 3974 C CA . MET C 11 ? 0.8425 0.6077 0.6813 -0.1182 0.0817 0.1241 11 MET H CA 3975 C C . MET C 11 ? 0.7679 0.5479 0.6154 -0.1190 0.0758 0.1249 11 MET H C 3976 O O . MET C 11 ? 0.8735 0.6538 0.7195 -0.1233 0.0736 0.1230 11 MET H O 3977 C CB . MET C 11 ? 0.7872 0.5433 0.6241 -0.1177 0.0837 0.1248 11 MET H CB 3978 C CG . MET C 11 ? 0.7723 0.5146 0.6032 -0.1141 0.0899 0.1255 11 MET H CG 3979 S SD . MET C 11 ? 1.2223 0.9476 1.0443 -0.1164 0.0937 0.1234 11 MET H SD 3980 C CE . MET C 11 ? 0.5717 0.3094 0.4032 -0.1182 0.0872 0.1252 11 MET H CE 3981 N N . LYS C 12 ? 0.5203 0.3121 0.3765 -0.1148 0.0737 0.1277 12 LYS H N 3982 C CA . LYS C 12 ? 0.5484 0.3527 0.4116 -0.1148 0.0691 0.1281 12 LYS H CA 3983 C C . LYS C 12 ? 0.5944 0.4089 0.4684 -0.1088 0.0677 0.1321 12 LYS H C 3984 O O . LYS C 12 ? 0.4987 0.3135 0.3751 -0.1049 0.0694 0.1350 12 LYS H O 3985 C CB . LYS C 12 ? 0.5509 0.3591 0.4114 -0.1172 0.0677 0.1259 12 LYS H CB 3986 C CG . LYS C 12 ? 0.4911 0.2925 0.3417 -0.1243 0.0675 0.1218 12 LYS H CG 3987 C CD . LYS C 12 ? 0.7632 0.5662 0.6146 -0.1277 0.0649 0.1210 12 LYS H CD 3988 C CE . LYS C 12 ? 0.7673 0.5637 0.6082 -0.1356 0.0645 0.1172 12 LYS H CE 3989 N NZ . LYS C 12 ? 0.7299 0.5325 0.5691 -0.1385 0.0616 0.1159 12 LYS H NZ 3990 N N . PRO C 13 ? 0.6236 0.4458 0.5033 -0.1084 0.0647 0.1324 13 PRO H N 3991 C CA . PRO C 13 ? 0.5823 0.4134 0.4709 -0.1032 0.0637 0.1353 13 PRO H CA 3992 C C . PRO C 13 ? 0.6426 0.4810 0.5338 -0.1010 0.0628 0.1354 13 PRO H C 3993 O O . PRO C 13 ? 0.7633 0.6018 0.6504 -0.1039 0.0620 0.1331 13 PRO H O 3994 C CB . PRO C 13 ? 0.4427 0.2776 0.3340 -0.1045 0.0615 0.1343 13 PRO H CB 3995 C CG . PRO C 13 ? 0.4531 0.2809 0.3376 -0.1103 0.0615 0.1318 13 PRO H CG 3996 C CD . PRO C 13 ? 0.5058 0.3279 0.3830 -0.1132 0.0627 0.1298 13 PRO H CD 3997 N N . PRO C 14 ? 0.6181 0.4624 0.5154 -0.0962 0.0630 0.1381 14 PRO H N 3998 C CA . PRO C 14 ? 0.5629 0.4137 0.4620 -0.0943 0.0622 0.1377 14 PRO H CA 3999 C C . PRO C 14 ? 0.5744 0.4296 0.4738 -0.0958 0.0595 0.1352 14 PRO H C 4000 O O . PRO C 14 ? 0.5389 0.3948 0.4402 -0.0960 0.0586 0.1349 14 PRO H O 4001 C CB . PRO C 14 ? 0.6200 0.4747 0.5243 -0.0895 0.0632 0.1408 14 PRO H CB 4002 C CG . PRO C 14 ? 0.6690 0.5190 0.5740 -0.0887 0.0648 0.1437 14 PRO H CG 4003 C CD . PRO C 14 ? 0.6398 0.4842 0.5414 -0.0926 0.0641 0.1415 14 PRO H CD 4004 N N . GLY C 15 ? 0.6717 0.5296 0.5691 -0.0969 0.0583 0.1336 15 GLY H N 4005 C CA . GLY C 15 ? 0.7254 0.5874 0.6230 -0.0982 0.0557 0.1318 15 GLY H CA 4006 C C . GLY C 15 ? 0.7602 0.6196 0.6530 -0.1033 0.0542 0.1300 15 GLY H C 4007 O O . GLY C 15 ? 0.7578 0.6206 0.6503 -0.1049 0.0518 0.1291 15 GLY H O 4008 N N . SER C 16 ? 0.7356 0.5885 0.6241 -0.1062 0.0556 0.1295 16 SER H N 4009 C CA . SER C 16 ? 0.6500 0.4993 0.5324 -0.1120 0.0544 0.1274 16 SER H CA 4010 C C . SER C 16 ? 0.5713 0.4171 0.4473 -0.1145 0.0552 0.1259 16 SER H C 4011 O O . SER C 16 ? 0.5725 0.4174 0.4490 -0.1119 0.0573 0.1268 16 SER H O 4012 C CB . SER C 16 ? 0.7586 0.6012 0.6386 -0.1144 0.0557 0.1272 16 SER H CB 4013 O OG . SER C 16 ? 0.9629 0.7999 0.8426 -0.1121 0.0588 0.1284 16 SER H OG 4014 N N . SER C 17 ? 0.5449 0.3888 0.4148 -0.1200 0.0535 0.1238 17 SER H N 4015 C CA . SER C 17 ? 0.5679 0.4084 0.4308 -0.1231 0.0541 0.1221 17 SER H CA 4016 C C . SER C 17 ? 0.6753 0.5052 0.5296 -0.1276 0.0567 0.1200 17 SER H C 4017 O O . SER C 17 ? 0.6899 0.5157 0.5423 -0.1303 0.0567 0.1194 17 SER H O 4018 C CB . SER C 17 ? 0.5762 0.4218 0.4369 -0.1264 0.0505 0.1212 17 SER H CB 4019 O OG . SER C 17 ? 0.6313 0.4768 0.4895 -0.1312 0.0482 0.1206 17 SER H OG 4020 N N . VAL C 18 ? 0.8025 0.6273 0.6510 -0.1284 0.0592 0.1188 18 VAL H N 4021 C CA . VAL C 18 ? 0.8084 0.6214 0.6465 -0.1331 0.0623 0.1160 18 VAL H CA 4022 C C . VAL C 18 ? 0.8892 0.7007 0.7190 -0.1382 0.0615 0.1134 18 VAL H C 4023 O O . VAL C 18 ? 1.0337 0.8526 0.8663 -0.1368 0.0595 0.1142 18 VAL H O 4024 C CB . VAL C 18 ? 0.6973 0.5029 0.5343 -0.1296 0.0675 0.1168 18 VAL H CB 4025 C CG1 . VAL C 18 ? 0.6547 0.4526 0.4909 -0.1293 0.0697 0.1170 18 VAL H CG1 4026 C CG2 . VAL C 18 ? 0.7817 0.5959 0.6279 -0.1231 0.0675 0.1201 18 VAL H CG2 4027 N N . LYS C 19 ? 0.6790 0.4805 0.4979 -0.1443 0.0632 0.1102 19 LYS H N 4028 C CA . LYS C 19 ? 0.6218 0.4202 0.4310 -0.1498 0.0630 0.1074 19 LYS H CA 4029 C C . LYS C 19 ? 0.6287 0.4120 0.4261 -0.1531 0.0687 0.1040 19 LYS H C 4030 O O . LYS C 19 ? 0.7446 0.5198 0.5351 -0.1579 0.0694 0.1018 19 LYS H O 4031 C CB . LYS C 19 ? 0.6519 0.4552 0.4585 -0.1560 0.0578 0.1067 19 LYS H CB 4032 C CG . LYS C 19 ? 0.5996 0.4047 0.3993 -0.1607 0.0557 0.1052 19 LYS H CG 4033 C CD . LYS C 19 ? 0.6637 0.4787 0.4659 -0.1640 0.0494 0.1067 19 LYS H CD 4034 C CE . LYS C 19 ? 0.7555 0.5706 0.5483 -0.1707 0.0470 0.1050 19 LYS H CE 4035 N NZ . LYS C 19 ? 0.8016 0.6273 0.5977 -0.1736 0.0408 0.1074 19 LYS H NZ 4036 N N . VAL C 20 ? 0.6213 0.4004 0.4162 -0.1504 0.0730 0.1037 20 VAL H N 4037 C CA . VAL C 20 ? 0.7124 0.4761 0.4961 -0.1523 0.0797 0.1006 20 VAL H CA 4038 C C . VAL C 20 ? 0.7988 0.5564 0.5695 -0.1595 0.0803 0.0964 20 VAL H C 4039 O O . VAL C 20 ? 0.7746 0.5366 0.5449 -0.1591 0.0800 0.0965 20 VAL H O 4040 C CB . VAL C 20 ? 0.7334 0.4953 0.5208 -0.1455 0.0849 0.1026 20 VAL H CB 4041 C CG1 . VAL C 20 ? 0.8307 0.5752 0.6073 -0.1461 0.0928 0.0999 20 VAL H CG1 4042 C CG2 . VAL C 20 ? 0.5689 0.3402 0.3701 -0.1384 0.0830 0.1073 20 VAL H CG2 4043 N N . PRO C 21 ? 0.7502 0.4973 0.5095 -0.1665 0.0813 0.0927 21 PRO H N 4044 C CA . PRO C 21 ? 0.8415 0.5820 0.5869 -0.1746 0.0817 0.0885 21 PRO H CA 4045 C C . PRO C 21 ? 0.8257 0.5520 0.5605 -0.1743 0.0899 0.0853 21 PRO H C 4046 O O . PRO C 21 ? 0.7605 0.4786 0.4964 -0.1690 0.0959 0.0858 21 PRO H O 4047 C CB . PRO C 21 ? 0.6101 0.3441 0.3476 -0.1820 0.0801 0.0859 21 PRO H CB 4048 C CG . PRO C 21 ? 0.6776 0.4180 0.4271 -0.1774 0.0777 0.0893 21 PRO H CG 4049 C CD . PRO C 21 ? 0.6358 0.3775 0.3947 -0.1679 0.0814 0.0923 21 PRO H CD 4050 N N . CYS C 22 ? 0.8352 0.5585 0.5597 -0.1798 0.0904 0.0823 22 CYS H N 4051 C CA . CYS C 22 ? 0.8409 0.5502 0.5541 -0.1801 0.0987 0.0789 22 CYS H CA 4052 C C . CYS C 22 ? 0.9182 0.6192 0.6149 -0.1901 0.0987 0.0738 22 CYS H C 4053 O O . CYS C 22 ? 0.8712 0.5796 0.5662 -0.1933 0.0951 0.0737 22 CYS H O 4054 C CB . CYS C 22 ? 0.8506 0.5676 0.5712 -0.1737 0.1003 0.0816 22 CYS H CB 4055 S SG . CYS C 22 ? 0.9180 0.6195 0.6258 -0.1735 0.1110 0.0778 22 CYS H SG 4056 N N . LYS C 23 ? 0.9717 0.6569 0.6556 -0.1953 0.1029 0.0695 23 LYS H N 4057 C CA . LYS C 23 ? 1.0195 0.6961 0.6864 -0.2060 0.1027 0.0644 23 LYS H CA 4058 C C . LYS C 23 ? 1.1242 0.7861 0.7776 -0.2071 0.1114 0.0602 23 LYS H C 4059 O O . LYS C 23 ? 1.0664 0.7164 0.7183 -0.2014 0.1202 0.0594 23 LYS H O 4060 C CB . LYS C 23 ? 1.0402 0.7069 0.6989 -0.2122 0.1027 0.0616 23 LYS H CB 4061 C CG . LYS C 23 ? 1.1331 0.7956 0.7762 -0.2245 0.0996 0.0574 23 LYS H CG 4062 C CD . LYS C 23 ? 1.1942 0.8490 0.8306 -0.2306 0.0988 0.0552 23 LYS H CD 4063 C CE . LYS C 23 ? 1.1765 0.8292 0.7978 -0.2437 0.0948 0.0514 23 LYS H CE 4064 N NZ . LYS C 23 ? 1.0849 0.7581 0.7148 -0.2464 0.0845 0.0554 23 LYS H NZ 4065 N N . ALA C 24 ? 1.1511 0.8140 0.7949 -0.2144 0.1092 0.0576 24 ALA H N 4066 C CA . ALA C 24 ? 1.1474 0.7979 0.7784 -0.2159 0.1171 0.0536 24 ALA H CA 4067 C C . ALA C 24 ? 1.4199 1.0524 1.0294 -0.2263 0.1209 0.0468 24 ALA H C 4068 O O . ALA C 24 ? 1.5094 1.1456 1.1110 -0.2358 0.1146 0.0452 24 ALA H O 4069 C CB . ALA C 24 ? 0.9799 0.6436 0.6146 -0.2161 0.1127 0.0554 24 ALA H CB 4070 N N . SER C 25 ? 1.5721 1.1848 1.1717 -0.2246 0.1315 0.0431 25 SER H N 4071 C CA . SER C 25 ? 1.5650 1.1577 1.1426 -0.2342 0.1368 0.0361 25 SER H CA 4072 C C . SER C 25 ? 1.5977 1.1763 1.1630 -0.2337 0.1469 0.0321 25 SER H C 4073 O O . SER C 25 ? 1.5876 1.1657 1.1608 -0.2240 0.1533 0.0344 25 SER H O 4074 C CB . SER C 25 ? 1.5626 1.1404 1.1359 -0.2333 0.1418 0.0343 25 SER H CB 4075 O OG . SER C 25 ? 1.5452 1.1368 1.1325 -0.2316 0.1334 0.0388 25 SER H OG 4076 N N . GLY C 26 ? 1.7362 1.0381 1.1704 -0.1515 -0.0198 -0.0136 26 GLY H N 4077 C CA . GLY C 26 ? 1.8126 1.0771 1.1860 -0.1440 -0.0113 -0.0238 26 GLY H CA 4078 C C . GLY C 26 ? 1.8851 1.1336 1.2231 -0.1549 -0.0298 -0.0244 26 GLY H C 4079 O O . GLY C 26 ? 1.8787 1.1250 1.2207 -0.1726 -0.0561 -0.0241 26 GLY H O 4080 N N . ASP C 27 ? 2.0640 1.3015 1.3687 -0.1443 -0.0166 -0.0244 27 ASP H N 4081 C CA . ASP C 27 ? 2.1415 1.3742 1.4191 -0.1519 -0.0325 -0.0217 27 ASP H CA 4082 C C . ASP C 27 ? 2.0789 1.3649 1.4084 -0.1478 -0.0286 -0.0038 27 ASP H C 4083 O O . ASP C 27 ? 2.0053 1.3082 1.3404 -0.1317 -0.0067 0.0013 27 ASP H O 4084 C CB . ASP C 27 ? 2.2020 1.4003 1.4119 -0.1403 -0.0212 -0.0311 27 ASP H CB 4085 C CG . ASP C 27 ? 2.1959 1.4019 1.4089 -0.1174 0.0135 -0.0283 27 ASP H CG 4086 O OD1 . ASP C 27 ? 2.2414 1.4650 1.4958 -0.1108 0.0279 -0.0247 27 ASP H OD1 4087 O OD2 . ASP C 27 ? 2.1336 1.3280 1.3080 -0.1059 0.0261 -0.0286 27 ASP H OD2 4088 N N . THR C 28 ? 2.1085 1.4198 1.4786 -0.1627 -0.0495 0.0060 28 THR H N 4089 C CA . THR C 28 ? 2.0613 1.4201 1.4836 -0.1603 -0.0458 0.0228 28 THR H CA 4090 C C . THR C 28 ? 2.1478 1.5205 1.5544 -0.1565 -0.0493 0.0306 28 THR H C 4091 O O . THR C 28 ? 2.2044 1.5736 1.5968 -0.1681 -0.0734 0.0336 28 THR H O 4092 C CB . THR C 28 ? 1.9479 1.3284 1.4224 -0.1764 -0.0640 0.0326 28 THR H CB 4093 O OG1 . THR C 28 ? 1.9034 1.3118 1.3980 -0.1824 -0.0787 0.0463 28 THR H OG1 4094 C CG2 . THR C 28 ? 1.9163 1.2644 1.3755 -0.1926 -0.0848 0.0226 28 THR H CG2 4095 N N . PHE C 29 ? 2.1805 1.5687 1.5909 -0.1401 -0.0257 0.0346 29 PHE H N 4096 C CA . PHE C 29 ? 2.1414 1.5461 1.5450 -0.1347 -0.0242 0.0446 29 PHE H CA 4097 C C . PHE C 29 ? 1.9815 1.4298 1.4447 -0.1391 -0.0284 0.0608 29 PHE H C 4098 O O . PHE C 29 ? 1.8996 1.3612 1.3679 -0.1456 -0.0440 0.0715 29 PHE H O 4099 C CB . PHE C 29 ? 2.1481 1.5506 1.5359 -0.1155 0.0045 0.0428 29 PHE H CB 4100 C CG . PHE C 29 ? 2.2056 1.5640 1.5332 -0.1081 0.0136 0.0288 29 PHE H CG 4101 C CD1 . PHE C 29 ? 2.2247 1.5530 1.4939 -0.1108 0.0024 0.0246 29 PHE H CD1 4102 C CD2 . PHE C 29 ? 2.2219 1.5676 1.5497 -0.0976 0.0340 0.0205 29 PHE H CD2 4103 C CE1 . PHE C 29 ? 2.2668 1.5499 1.4763 -0.1030 0.0136 0.0110 29 PHE H CE1 4104 C CE2 . PHE C 29 ? 2.2785 1.5820 1.5527 -0.0895 0.0456 0.0085 29 PHE H CE2 4105 C CZ . PHE C 29 ? 2.2999 1.5705 1.5136 -0.0921 0.0365 0.0031 29 PHE H CZ 4106 N N . SER C 30 ? 1.7559 1.2246 1.2623 -0.1346 -0.0137 0.0629 30 SER H N 4107 C CA . SER C 30 ? 1.5818 1.0905 1.1451 -0.1356 -0.0114 0.0760 30 SER H CA 4108 C C . SER C 30 ? 1.4465 0.9780 1.0184 -0.1271 -0.0028 0.0854 30 SER H C 4109 O O . SER C 30 ? 1.3341 0.9002 0.9521 -0.1276 -0.0036 0.0959 30 SER H O 4110 C CB . SER C 30 ? 1.5174 1.0353 1.1102 -0.1518 -0.0333 0.0842 30 SER H CB 4111 O OG . SER C 30 ? 1.3196 0.8335 0.9280 -0.1550 -0.0342 0.0759 30 SER H OG 4112 N N . SER C 31 ? 1.4291 0.9415 0.9588 -0.1177 0.0077 0.0817 31 SER H N 4113 C CA . SER C 31 ? 1.3062 0.8436 0.8524 -0.1051 0.0234 0.0875 31 SER H CA 4114 C C . SER C 31 ? 1.2137 0.7593 0.7757 -0.0918 0.0451 0.0781 31 SER H C 4115 O O . SER C 31 ? 1.1443 0.7102 0.7267 -0.0810 0.0604 0.0809 31 SER H O 4116 C CB . SER C 31 ? 1.3895 0.9044 0.8836 -0.1013 0.0223 0.0902 31 SER H CB 4117 O OG . SER C 31 ? 1.5131 0.9969 0.9633 -0.0923 0.0351 0.0779 31 SER H OG 4118 N N . TYR C 32 ? 1.2609 0.7897 0.8146 -0.0934 0.0450 0.0681 32 TYR H N 4119 C CA . TYR C 32 ? 1.2263 0.7605 0.7933 -0.0818 0.0619 0.0604 32 TYR H CA 4120 C C . TYR C 32 ? 1.2097 0.7777 0.8292 -0.0822 0.0617 0.0612 32 TYR H C 4121 O O . TYR C 32 ? 1.1920 0.7704 0.8313 -0.0914 0.0497 0.0646 32 TYR H O 4122 C CB . TYR C 32 ? 1.2656 0.7609 0.7921 -0.0813 0.0634 0.0501 32 TYR H CB 4123 C CG . TYR C 32 ? 1.4436 0.9064 0.9196 -0.0730 0.0744 0.0467 32 TYR H CG 4124 C CD1 . TYR C 32 ? 1.5557 0.9998 1.0165 -0.0615 0.0912 0.0395 32 TYR H CD1 4125 C CD2 . TYR C 32 ? 1.4707 0.9232 0.9154 -0.0751 0.0690 0.0515 32 TYR H CD2 4126 C CE1 . TYR C 32 ? 1.5711 0.9865 0.9883 -0.0517 0.1047 0.0364 32 TYR H CE1 4127 C CE2 . TYR C 32 ? 1.4748 0.8997 0.8732 -0.0651 0.0810 0.0473 32 TYR H CE2 4128 C CZ . TYR C 32 ? 1.4443 0.8506 0.8301 -0.0531 0.1000 0.0393 32 TYR H CZ 4129 O OH . TYR C 32 ? 1.2376 0.6172 0.5823 -0.0414 0.1146 0.0347 32 TYR H OH 4130 N N . THR C 33 ? 1.1867 0.7702 0.8273 -0.0719 0.0751 0.0587 33 THR H N 4131 C CA . THR C 33 ? 1.0638 0.6767 0.7471 -0.0712 0.0755 0.0595 33 THR H CA 4132 C C . THR C 33 ? 1.0172 0.6241 0.7012 -0.0694 0.0753 0.0529 33 THR H C 4133 O O . THR C 33 ? 0.9912 0.5823 0.6579 -0.0624 0.0830 0.0480 33 THR H O 4134 C CB . THR C 33 ? 0.9764 0.6092 0.6834 -0.0633 0.0871 0.0617 33 THR H CB 4135 O OG1 . THR C 33 ? 0.9579 0.5978 0.6671 -0.0637 0.0888 0.0691 33 THR H OG1 4136 C CG2 . THR C 33 ? 0.9444 0.6011 0.6873 -0.0640 0.0860 0.0617 33 THR H CG2 4137 N N . ILE C 34 ? 0.9975 0.6175 0.7032 -0.0747 0.0680 0.0544 34 ILE H N 4138 C CA . ILE C 34 ? 0.9180 0.5365 0.6283 -0.0721 0.0689 0.0504 34 ILE H CA 4139 C C . ILE C 34 ? 0.8823 0.5190 0.6138 -0.0655 0.0757 0.0503 34 ILE H C 4140 O O . ILE C 34 ? 0.8597 0.5163 0.6151 -0.0672 0.0756 0.0540 34 ILE H O 4141 C CB . ILE C 34 ? 0.8312 0.4544 0.5562 -0.0797 0.0602 0.0536 34 ILE H CB 4142 C CG1 . ILE C 34 ? 0.7694 0.3715 0.4731 -0.0893 0.0502 0.0540 34 ILE H CG1 4143 C CG2 . ILE C 34 ? 0.8430 0.4628 0.5701 -0.0757 0.0631 0.0506 34 ILE H CG2 4144 C CD1 . ILE C 34 ? 0.7569 0.3263 0.4220 -0.0874 0.0520 0.0461 34 ILE H CD1 4145 N N . THR C 35 ? 0.8223 0.4494 0.5435 -0.0584 0.0813 0.0466 35 THR H N 4146 C CA . THR C 35 ? 0.7612 0.3985 0.4957 -0.0535 0.0857 0.0466 35 THR H CA 4147 C C . THR C 35 ? 0.9097 0.5429 0.6420 -0.0514 0.0843 0.0456 35 THR H C 4148 O O . THR C 35 ? 1.1074 0.7262 0.8252 -0.0493 0.0838 0.0443 35 THR H O 4149 C CB . THR C 35 ? 0.7452 0.3745 0.4728 -0.0462 0.0935 0.0464 35 THR H CB 4150 O OG1 . THR C 35 ? 0.9360 0.5724 0.6702 -0.0471 0.0974 0.0489 35 THR H OG1 4151 C CG2 . THR C 35 ? 0.6739 0.3066 0.4113 -0.0423 0.0953 0.0470 35 THR H CG2 4152 N N . TRP C 36 ? 0.9105 0.5537 0.6549 -0.0516 0.0848 0.0463 36 TRP H N 4153 C CA . TRP C 36 ? 0.9118 0.5482 0.6491 -0.0487 0.0850 0.0464 36 TRP H CA 4154 C C . TRP C 36 ? 0.9200 0.5463 0.6463 -0.0428 0.0867 0.0461 36 TRP H C 4155 O O . TRP C 36 ? 0.9492 0.5790 0.6817 -0.0441 0.0875 0.0455 36 TRP H O 4156 C CB . TRP C 36 ? 0.8463 0.4937 0.5976 -0.0525 0.0855 0.0481 36 TRP H CB 4157 C CG . TRP C 36 ? 0.8510 0.5047 0.6143 -0.0575 0.0823 0.0514 36 TRP H CG 4158 C CD1 . TRP C 36 ? 0.8644 0.5313 0.6458 -0.0633 0.0791 0.0547 36 TRP H CD1 4159 C CD2 . TRP C 36 ? 0.7865 0.4322 0.5462 -0.0578 0.0812 0.0534 36 TRP H CD2 4160 N NE1 . TRP C 36 ? 0.8621 0.5287 0.6515 -0.0680 0.0748 0.0590 36 TRP H NE1 4161 C CE2 . TRP C 36 ? 0.7973 0.4512 0.5748 -0.0651 0.0764 0.0578 36 TRP H CE2 4162 C CE3 . TRP C 36 ? 0.7317 0.3634 0.4763 -0.0527 0.0837 0.0531 36 TRP H CE3 4163 C CZ2 . TRP C 36 ? 0.6784 0.3265 0.4611 -0.0684 0.0739 0.0614 36 TRP H CZ2 4164 C CZ3 . TRP C 36 ? 0.7914 0.4184 0.5408 -0.0551 0.0827 0.0564 36 TRP H CZ3 4165 C CH2 . TRP C 36 ? 0.7167 0.3518 0.4860 -0.0635 0.0777 0.0602 36 TRP H CH2 4166 N N . VAL C 37 ? 0.7912 0.4032 0.5019 -0.0365 0.0865 0.0474 37 VAL H N 4167 C CA . VAL C 37 ? 0.8089 0.4088 0.5081 -0.0297 0.0856 0.0500 37 VAL H CA 4168 C C . VAL C 37 ? 0.8095 0.3983 0.4915 -0.0255 0.0841 0.0525 37 VAL H C 4169 O O . VAL C 37 ? 0.7999 0.3887 0.4808 -0.0256 0.0860 0.0528 37 VAL H O 4170 C CB . VAL C 37 ? 0.8038 0.3951 0.5001 -0.0223 0.0877 0.0524 37 VAL H CB 4171 C CG1 . VAL C 37 ? 0.7722 0.3778 0.4815 -0.0150 0.0816 0.0523 37 VAL H CG1 4172 C CG2 . VAL C 37 ? 0.7991 0.3974 0.5050 -0.0256 0.0920 0.0499 37 VAL H CG2 4173 N N . ARG C 38 ? 0.9064 0.4915 0.5789 -0.0212 0.0790 0.0533 38 ARG H N 4174 C CA . ARG C 38 ? 1.0026 0.5756 0.6526 -0.0164 0.0773 0.0561 38 ARG H CA 4175 C C . ARG C 38 ? 1.1054 0.6821 0.7498 -0.0055 0.0671 0.0580 38 ARG H C 4176 O O . ARG C 38 ? 1.2718 0.8660 0.9342 -0.0037 0.0584 0.0548 38 ARG H O 4177 C CB . ARG C 38 ? 1.0074 0.5815 0.6523 -0.0215 0.0775 0.0515 38 ARG H CB 4178 C CG . ARG C 38 ? 1.0226 0.5833 0.6382 -0.0153 0.0751 0.0528 38 ARG H CG 4179 C CD . ARG C 38 ? 0.9716 0.5302 0.5803 -0.0204 0.0770 0.0462 38 ARG H CD 4180 N NE . ARG C 38 ? 1.0852 0.6314 0.6609 -0.0138 0.0707 0.0443 38 ARG H NE 4181 C CZ . ARG C 38 ? 1.2203 0.7749 0.7913 -0.0109 0.0532 0.0381 38 ARG H CZ 4182 N NH1 . ARG C 38 ? 1.2517 0.8286 0.8544 -0.0136 0.0429 0.0343 38 ARG H NH1 4183 N NH2 . ARG C 38 ? 1.2465 0.7866 0.7812 -0.0051 0.0459 0.0364 38 ARG H NH2 4184 N N . GLN C 39 ? 0.8418 0.4029 0.4645 0.0020 0.0682 0.0648 39 GLN H N 4185 C CA . GLN C 39 ? 0.8580 0.4223 0.4751 0.0135 0.0577 0.0693 39 GLN H CA 4186 C C . GLN C 39 ? 1.0396 0.5886 0.6238 0.0199 0.0551 0.0745 39 GLN H C 4187 O O . GLN C 39 ? 1.1181 0.6485 0.6867 0.0244 0.0647 0.0827 39 GLN H O 4188 C CB . GLN C 39 ? 0.8124 0.3724 0.4392 0.0203 0.0630 0.0757 39 GLN H CB 4189 C CG . GLN C 39 ? 0.8230 0.3922 0.4561 0.0328 0.0524 0.0819 39 GLN H CG 4190 C CD . GLN C 39 ? 0.8843 0.4459 0.5273 0.0405 0.0614 0.0883 39 GLN H CD 4191 O OE1 . GLN C 39 ? 0.8543 0.3972 0.4896 0.0371 0.0744 0.0883 39 GLN H OE1 4192 N NE2 . GLN C 39 ? 0.9735 0.5486 0.6351 0.0507 0.0545 0.0938 39 GLN H NE2 4193 N N . ALA C 40 ? 0.9274 0.4822 0.4996 0.0203 0.0425 0.0696 40 ALA H N 4194 C CA . ALA C 40 ? 0.9176 0.4566 0.4518 0.0280 0.0378 0.0741 40 ALA H CA 4195 C C . ALA C 40 ? 1.0526 0.5909 0.5826 0.0411 0.0305 0.0855 40 ALA H C 4196 O O . ALA C 40 ? 1.1364 0.6931 0.6944 0.0442 0.0213 0.0867 40 ALA H O 4197 C CB . ALA C 40 ? 0.9598 0.5042 0.4805 0.0250 0.0224 0.0642 40 ALA H CB 4198 N N . PRO C 41 ? 1.1650 0.6817 0.6621 0.0497 0.0364 0.0955 41 PRO H N 4199 C CA . PRO C 41 ? 1.1346 0.6469 0.6263 0.0634 0.0330 0.1091 41 PRO H CA 4200 C C . PRO C 41 ? 1.1550 0.6885 0.6579 0.0703 0.0091 0.1106 41 PRO H C 4201 O O . PRO C 41 ? 1.1207 0.6566 0.6014 0.0712 -0.0085 0.1071 41 PRO H O 4202 C CB . PRO C 41 ? 1.0519 0.5379 0.4983 0.0705 0.0402 0.1176 41 PRO H CB 4203 C CG . PRO C 41 ? 1.0164 0.4981 0.4660 0.0592 0.0570 0.1082 41 PRO H CG 4204 C CD . PRO C 41 ? 1.0862 0.5800 0.5499 0.0479 0.0494 0.0959 41 PRO H CD 4205 N N . GLY C 42 ? 1.1780 0.7256 0.7158 0.0748 0.0084 0.1158 42 GLY H N 4206 C CA . GLY C 42 ? 1.1982 0.7688 0.7574 0.0821 -0.0127 0.1203 42 GLY H CA 4207 C C . GLY C 42 ? 1.2014 0.7984 0.7965 0.0723 -0.0235 0.1087 42 GLY H C 4208 O O . GLY C 42 ? 1.2592 0.8790 0.8856 0.0771 -0.0386 0.1130 42 GLY H O 4209 N N . GLN C 43 ? 1.1397 0.7344 0.7341 0.0591 -0.0152 0.0955 43 GLN H N 4210 C CA . GLN C 43 ? 1.0687 0.6863 0.6959 0.0493 -0.0237 0.0848 43 GLN H CA 4211 C C . GLN C 43 ? 1.0438 0.6688 0.7058 0.0453 -0.0064 0.0832 43 GLN H C 4212 O O . GLN C 43 ? 0.9075 0.5186 0.5661 0.0494 0.0105 0.0889 43 GLN H O 4213 C CB . GLN C 43 ? 1.0231 0.6339 0.6281 0.0379 -0.0269 0.0714 43 GLN H CB 4214 C CG . GLN C 43 ? 1.1727 0.7635 0.7271 0.0421 -0.0357 0.0722 43 GLN H CG 4215 C CD . GLN C 43 ? 1.3966 0.9979 0.9461 0.0505 -0.0629 0.0778 43 GLN H CD 4216 O OE1 . GLN C 43 ? 1.4326 1.0598 1.0201 0.0485 -0.0800 0.0762 43 GLN H OE1 4217 N NE2 . GLN C 43 ? 1.5116 1.0932 1.0156 0.0601 -0.0671 0.0857 43 GLN H NE2 4218 N N . GLY C 44 ? 1.1106 0.7556 0.8043 0.0373 -0.0106 0.0753 44 GLY H N 4219 C CA . GLY C 44 ? 1.0772 0.7292 0.8013 0.0345 0.0051 0.0743 44 GLY H CA 4220 C C . GLY C 44 ? 1.0181 0.6557 0.7278 0.0243 0.0216 0.0670 44 GLY H C 4221 O O . GLY C 44 ? 0.9698 0.5896 0.6479 0.0211 0.0250 0.0652 44 GLY H O 4222 N N . LEU C 45 ? 0.8531 0.4986 0.5873 0.0198 0.0323 0.0643 45 LEU H N 4223 C CA . LEU C 45 ? 0.7296 0.3641 0.4544 0.0104 0.0461 0.0591 45 LEU H CA 4224 C C . LEU C 45 ? 0.8798 0.5269 0.6180 -0.0002 0.0427 0.0507 45 LEU H C 4225 O O . LEU C 45 ? 0.9484 0.6149 0.7141 -0.0007 0.0340 0.0488 45 LEU H O 4226 C CB . LEU C 45 ? 0.6885 0.3189 0.4242 0.0128 0.0607 0.0619 45 LEU H CB 4227 C CG . LEU C 45 ? 0.7382 0.3516 0.4615 0.0227 0.0678 0.0690 45 LEU H CG 4228 C CD1 . LEU C 45 ? 0.6960 0.3046 0.4294 0.0255 0.0820 0.0696 45 LEU H CD1 4229 C CD2 . LEU C 45 ? 0.8493 0.4392 0.5412 0.0195 0.0719 0.0694 45 LEU H CD2 4230 N N . GLU C 46 ? 0.9565 0.5925 0.6791 -0.0086 0.0499 0.0467 46 GLU H N 4231 C CA . GLU C 46 ? 0.9409 0.5857 0.6757 -0.0182 0.0495 0.0395 46 GLU H CA 4232 C C . GLU C 46 ? 0.8446 0.4828 0.5786 -0.0258 0.0631 0.0395 46 GLU H C 4233 O O . GLU C 46 ? 0.7860 0.4082 0.4997 -0.0275 0.0693 0.0421 46 GLU H O 4234 C CB . GLU C 46 ? 1.0149 0.6537 0.7303 -0.0206 0.0399 0.0338 46 GLU H CB 4235 C CG . GLU C 46 ? 1.1264 0.7801 0.8629 -0.0263 0.0296 0.0256 46 GLU H CG 4236 C CD . GLU C 46 ? 1.2709 0.9115 0.9826 -0.0312 0.0256 0.0172 46 GLU H CD 4237 O OE1 . GLU C 46 ? 1.2670 0.8903 0.9431 -0.0264 0.0236 0.0187 46 GLU H OE1 4238 O OE2 . GLU C 46 ? 1.3167 0.9621 1.0434 -0.0393 0.0262 0.0096 46 GLU H OE2 4239 N N . TRP C 47 ? 0.8083 0.4595 0.5671 -0.0303 0.0673 0.0381 47 TRP H N 4240 C CA . TRP C 47 ? 0.7829 0.4308 0.5436 -0.0373 0.0778 0.0394 47 TRP H CA 4241 C C . TRP C 47 ? 0.7508 0.3933 0.5050 -0.0446 0.0796 0.0365 47 TRP H C 4242 O O . TRP C 47 ? 0.7413 0.3895 0.5031 -0.0470 0.0753 0.0307 47 TRP H O 4243 C CB . TRP C 47 ? 0.7190 0.3821 0.5071 -0.0386 0.0823 0.0400 47 TRP H CB 4244 C CG . TRP C 47 ? 0.6698 0.3317 0.4608 -0.0454 0.0912 0.0426 47 TRP H CG 4245 C CD1 . TRP C 47 ? 0.7142 0.3648 0.4900 -0.0468 0.0963 0.0469 47 TRP H CD1 4246 C CD2 . TRP C 47 ? 0.6540 0.3261 0.4652 -0.0517 0.0948 0.0417 47 TRP H CD2 4247 N NE1 . TRP C 47 ? 0.6324 0.2967 0.4223 -0.0516 0.0987 0.0478 47 TRP H NE1 4248 C CE2 . TRP C 47 ? 0.6718 0.3423 0.4804 -0.0553 0.1010 0.0468 47 TRP H CE2 4249 C CE3 . TRP C 47 ? 0.6232 0.3061 0.4557 -0.0547 0.0920 0.0367 47 TRP H CE3 4250 C CZ2 . TRP C 47 ? 0.6775 0.3640 0.5078 -0.0591 0.1040 0.0478 47 TRP H CZ2 4251 C CZ3 . TRP C 47 ? 0.6099 0.2987 0.4604 -0.0607 0.0991 0.0379 47 TRP H CZ3 4252 C CH2 . TRP C 47 ? 0.6103 0.2980 0.4583 -0.0629 0.1066 0.0450 47 TRP H CH2 4253 N N . MET C 48 ? 0.7125 0.3429 0.4541 -0.0480 0.0865 0.0407 48 MET H N 4254 C CA . MET C 48 ? 0.6844 0.3118 0.4245 -0.0529 0.0911 0.0398 48 MET H CA 4255 C C . MET C 48 ? 0.7000 0.3501 0.4684 -0.0572 0.0945 0.0402 48 MET H C 4256 O O . MET C 48 ? 0.7522 0.4072 0.5305 -0.0602 0.0985 0.0387 48 MET H O 4257 C CB . MET C 48 ? 0.6855 0.3098 0.4131 -0.0496 0.0923 0.0419 48 MET H CB 4258 C CG . MET C 48 ? 0.8582 0.4598 0.5553 -0.0438 0.0897 0.0433 48 MET H CG 4259 S SD . MET C 48 ? 0.7978 0.3975 0.4866 -0.0403 0.0950 0.0462 48 MET H SD 4260 C CE . MET C 48 ? 0.7400 0.3605 0.4563 -0.0431 0.0935 0.0481 48 MET H CE 4261 N N . GLY C 49 ? 0.7324 0.3934 0.5108 -0.0567 0.0932 0.0430 49 GLY H N 4262 C CA . GLY C 49 ? 0.7271 0.4066 0.5273 -0.0598 0.0943 0.0456 49 GLY H CA 4263 C C . GLY C 49 ? 0.7898 0.4716 0.5862 -0.0593 0.0909 0.0487 49 GLY H C 4264 O O . GLY C 49 ? 0.8935 0.5627 0.6720 -0.0562 0.0893 0.0476 49 GLY H O 4265 N N . GLY C 50 ? 0.6265 0.3212 0.4373 -0.0625 0.0896 0.0529 50 GLY H N 4266 C CA . GLY C 50 ? 0.6409 0.3319 0.4424 -0.0638 0.0855 0.0557 50 GLY H CA 4267 C C . GLY C 50 ? 0.7084 0.4127 0.5266 -0.0685 0.0821 0.0626 50 GLY H C 4268 O O . GLY C 50 ? 0.7672 0.4856 0.6066 -0.0691 0.0848 0.0655 50 GLY H O 4269 N N . ILE C 51 ? 0.7359 0.4333 0.5439 -0.0723 0.0756 0.0657 51 ILE H N 4270 C CA . ILE C 51 ? 0.7662 0.4733 0.5886 -0.0777 0.0704 0.0747 51 ILE H CA 4271 C C . ILE C 51 ? 0.8602 0.5504 0.6558 -0.0813 0.0651 0.0766 51 ILE H C 4272 O O . ILE C 51 ? 0.7852 0.4546 0.5533 -0.0820 0.0626 0.0709 51 ILE H O 4273 C CB . ILE C 51 ? 0.6582 0.3738 0.5018 -0.0818 0.0657 0.0800 51 ILE H CB 4274 C CG1 . ILE C 51 ? 0.5926 0.3213 0.4596 -0.0868 0.0609 0.0924 51 ILE H CG1 4275 C CG2 . ILE C 51 ? 0.7453 0.4445 0.5721 -0.0848 0.0604 0.0771 51 ILE H CG2 4276 C CD1 . ILE C 51 ? 0.5215 0.2579 0.4141 -0.0911 0.0567 0.1005 51 ILE H CD1 4277 N N . THR C 52 ? 0.9146 0.6109 0.7149 -0.0834 0.0637 0.0848 52 THR H N 4278 C CA . THR C 52 ? 0.7832 0.4600 0.5517 -0.0878 0.0571 0.0880 52 THR H CA 4279 C C . THR C 52 ? 0.8065 0.4900 0.5896 -0.0965 0.0459 0.0997 52 THR H C 4280 O O . THR C 52 ? 0.9152 0.6176 0.7237 -0.0955 0.0481 0.1098 52 THR H O 4281 C CB . THR C 52 ? 0.7741 0.4489 0.5294 -0.0818 0.0656 0.0901 52 THR H CB 4282 O OG1 . THR C 52 ? 0.7830 0.4626 0.5458 -0.0735 0.0777 0.0827 52 THR H OG1 4283 C CG2 . THR C 52 ? 0.9021 0.5463 0.6082 -0.0835 0.0617 0.0889 52 THR H CG2 4284 N N . PRO C 53 A 0.7451 0.4127 0.5146 -0.1054 0.0335 0.0994 52 PRO H N 4285 C CA . PRO C 53 A 0.8363 0.5101 0.6260 -0.1154 0.0206 0.1106 52 PRO H CA 4286 C C . PRO C 53 A 0.9277 0.6083 0.7203 -0.1187 0.0144 0.1245 52 PRO H C 4287 O O . PRO C 53 A 0.9843 0.6855 0.8165 -0.1205 0.0133 0.1359 52 PRO H O 4288 C CB . PRO C 53 A 0.8705 0.5142 0.6263 -0.1260 0.0056 0.1052 52 PRO H CB 4289 C CG . PRO C 53 A 0.6079 0.2410 0.3483 -0.1184 0.0163 0.0912 52 PRO H CG 4290 C CD . PRO C 53 A 0.7767 0.4174 0.5119 -0.1066 0.0312 0.0879 52 PRO H CD 4291 N N . ILE C 54 ? 0.8308 0.8739 0.8002 -0.2283 -0.0310 0.0331 53 ILE H N 4292 C CA . ILE C 54 ? 0.8630 0.9221 0.8324 -0.2333 -0.0406 0.0398 53 ILE H CA 4293 C C . ILE C 54 ? 0.8205 0.8746 0.7874 -0.2299 -0.0386 0.0501 53 ILE H C 4294 O O . ILE C 54 ? 0.8541 0.9205 0.8316 -0.2340 -0.0451 0.0581 53 ILE H O 4295 C CB . ILE C 54 ? 0.8446 0.9066 0.7929 -0.2387 -0.0480 0.0372 53 ILE H CB 4296 C CG1 . ILE C 54 ? 0.9174 0.9653 0.8494 -0.2360 -0.0415 0.0294 53 ILE H CG1 4297 C CG2 . ILE C 54 ? 0.7368 0.8149 0.6906 -0.2464 -0.0598 0.0322 53 ILE H CG2 4298 C CD1 . ILE C 54 ? 0.9324 0.9810 0.8452 -0.2364 -0.0395 0.0335 53 ILE H CD1 4299 N N . PHE C 55 ? 0.7007 0.7368 0.6532 -0.2234 -0.0315 0.0500 54 PHE H N 4300 C CA . PHE C 55 ? 0.7360 0.7601 0.6809 -0.2209 -0.0309 0.0589 54 PHE H CA 4301 C C . PHE C 55 ? 0.8293 0.8462 0.7870 -0.2161 -0.0244 0.0611 54 PHE H C 4302 O O . PHE C 55 ? 0.9263 0.9312 0.8784 -0.2164 -0.0261 0.0698 54 PHE H O 4303 C CB . PHE C 55 ? 0.6312 0.6436 0.5571 -0.2175 -0.0277 0.0570 54 PHE H CB 4304 C CG . PHE C 55 ? 0.5805 0.6035 0.4912 -0.2250 -0.0330 0.0580 54 PHE H CG 4305 C CD1 . PHE C 55 ? 0.6144 0.6446 0.5192 -0.2340 -0.0422 0.0671 54 PHE H CD1 4306 C CD2 . PHE C 55 ? 0.6294 0.6572 0.5305 -0.2252 -0.0293 0.0510 54 PHE H CD2 4307 C CE1 . PHE C 55 ? 0.6595 0.7015 0.5479 -0.2429 -0.0463 0.0691 54 PHE H CE1 4308 C CE2 . PHE C 55 ? 0.6736 0.7161 0.5600 -0.2344 -0.0328 0.0523 54 PHE H CE2 4309 C CZ . PHE C 55 ? 0.6304 0.6802 0.5099 -0.2432 -0.0408 0.0614 54 PHE H CZ 4310 N N . GLY C 56 ? 0.6872 0.7086 0.6589 -0.2133 -0.0170 0.0545 55 GLY H N 4311 C CA . GLY C 56 ? 0.6245 0.6416 0.6062 -0.2100 -0.0082 0.0566 55 GLY H CA 4312 C C . GLY C 56 ? 0.6984 0.6908 0.6627 -0.2028 -0.0036 0.0570 55 GLY H C 4313 O O . GLY C 56 ? 0.8069 0.7906 0.7577 -0.1993 -0.0045 0.0522 55 GLY H O 4314 N N . SER C 57 ? 0.7425 0.7262 0.7072 -0.2022 0.0010 0.0629 56 SER H N 4315 C CA . SER C 57 ? 0.8651 0.8211 0.8102 -0.1973 0.0026 0.0643 56 SER H CA 4316 C C . SER C 57 ? 0.9516 0.8992 0.8869 -0.1911 0.0047 0.0557 56 SER H C 4317 O O . SER C 57 ? 1.0409 0.9846 0.9648 -0.1912 -0.0013 0.0546 56 SER H O 4318 C CB . SER C 57 ? 0.8982 0.8384 0.8276 -0.2009 -0.0080 0.0726 56 SER H CB 4319 O OG . SER C 57 ? 1.0101 0.9185 0.9189 -0.1974 -0.0084 0.0742 56 SER H OG 4320 N N . PRO C 58 ? 0.7258 0.6725 0.6650 -0.1873 0.0132 0.0511 57 PRO H N 4321 C CA . PRO C 58 ? 0.6210 0.5623 0.5517 -0.1833 0.0141 0.0443 57 PRO H CA 4322 C C . PRO C 58 ? 0.6437 0.5678 0.5574 -0.1808 0.0125 0.0436 57 PRO H C 4323 O O . PRO C 58 ? 0.6649 0.5743 0.5709 -0.1814 0.0116 0.0479 57 PRO H O 4324 C CB . PRO C 58 ? 0.5926 0.5332 0.5296 -0.1821 0.0231 0.0429 57 PRO H CB 4325 C CG . PRO C 58 ? 0.6319 0.5742 0.5762 -0.1840 0.0297 0.0493 57 PRO H CG 4326 C CD . PRO C 58 ? 0.6872 0.6395 0.6379 -0.1887 0.0228 0.0541 57 PRO H CD 4327 N N . ASN C 59 ? 0.6425 0.5668 0.5485 -0.1798 0.0112 0.0383 58 ASN H N 4328 C CA . ASN C 59 ? 0.6315 0.5433 0.5228 -0.1799 0.0089 0.0369 58 ASN H CA 4329 C C . ASN C 59 ? 0.6808 0.5781 0.5631 -0.1768 0.0153 0.0343 58 ASN H C 4330 O O . ASN C 59 ? 0.7725 0.6712 0.6593 -0.1749 0.0212 0.0332 58 ASN H O 4331 C CB . ASN C 59 ? 0.5680 0.4930 0.4548 -0.1842 0.0033 0.0340 58 ASN H CB 4332 C CG . ASN C 59 ? 0.7430 0.6791 0.6323 -0.1888 -0.0027 0.0381 58 ASN H CG 4333 O OD1 . ASN C 59 ? 0.9859 0.9358 0.8815 -0.1902 -0.0033 0.0384 58 ASN H OD1 4334 N ND2 . ASN C 59 ? 0.7330 0.6599 0.6138 -0.1926 -0.0078 0.0417 58 ASN H ND2 4335 N N . TYR C 60 ? 0.6599 0.5405 0.5267 -0.1775 0.0134 0.0337 59 TYR H N 4336 C CA . TYR C 60 ? 0.6125 0.4758 0.4639 -0.1755 0.0185 0.0313 59 TYR H CA 4337 C C . TYR C 60 ? 0.5530 0.4088 0.3887 -0.1803 0.0110 0.0281 59 TYR H C 4338 O O . TYR C 60 ? 0.6363 0.4916 0.4703 -0.1847 0.0034 0.0292 59 TYR H O 4339 C CB . TYR C 60 ? 0.5691 0.4119 0.4115 -0.1721 0.0265 0.0349 59 TYR H CB 4340 C CG . TYR C 60 ? 0.5338 0.3886 0.3936 -0.1707 0.0344 0.0396 59 TYR H CG 4341 C CD1 . TYR C 60 ? 0.4131 0.2756 0.2805 -0.1694 0.0429 0.0402 59 TYR H CD1 4342 C CD2 . TYR C 60 ? 0.6031 0.4600 0.4699 -0.1726 0.0327 0.0441 59 TYR H CD2 4343 C CE1 . TYR C 60 ? 0.4717 0.3500 0.3575 -0.1712 0.0496 0.0449 59 TYR H CE1 4344 C CE2 . TYR C 60 ? 0.6796 0.5514 0.5627 -0.1740 0.0398 0.0489 59 TYR H CE2 4345 C CZ . TYR C 60 ? 0.5755 0.4612 0.4703 -0.1738 0.0484 0.0490 59 TYR H CZ 4346 O OH . TYR C 60 ? 0.5534 0.4600 0.4679 -0.1778 0.0550 0.0538 59 TYR H OH 4347 N N . ALA C 61 ? 0.4940 0.3421 0.3166 -0.1811 0.0125 0.0248 60 ALA H N 4348 C CA . ALA C 61 ? 0.6042 0.4447 0.4106 -0.1880 0.0049 0.0216 60 ALA H CA 4349 C C . ALA C 61 ? 0.6574 0.4681 0.4450 -0.1873 0.0033 0.0220 60 ALA H C 4350 O O . ALA C 61 ? 0.7588 0.5522 0.5411 -0.1803 0.0115 0.0249 60 ALA H O 4351 C CB . ALA C 61 ? 0.7437 0.5784 0.5367 -0.1868 0.0064 0.0180 60 ALA H CB 4352 N N . GLN C 62 ? 0.6818 0.4865 0.4580 -0.1954 -0.0077 0.0186 61 GLN H N 4353 C CA . GLN C 62 ? 0.7845 0.5581 0.5395 -0.1921 -0.0129 0.0162 61 GLN H CA 4354 C C . GLN C 62 ? 0.7966 0.5497 0.5320 -0.1738 -0.0046 0.0134 61 GLN H C 4355 O O . GLN C 62 ? 0.8624 0.5906 0.5823 -0.1644 -0.0015 0.0130 61 GLN H O 4356 C CB . GLN C 62 ? 0.9495 0.7267 0.6984 -0.2037 -0.0284 0.0114 61 GLN H CB 4357 C CG . GLN C 62 ? 1.1208 0.8632 0.8490 -0.2066 -0.0383 0.0093 61 GLN H CG 4358 C CD . GLN C 62 ? 1.2864 1.0385 1.0120 -0.2184 -0.0541 0.0050 61 GLN H CD 4359 O OE1 . GLN C 62 ? 1.3643 1.1569 1.1112 -0.2276 -0.0567 0.0068 61 GLN H OE1 4360 N NE2 . GLN C 62 ? 1.2953 1.0123 0.9951 -0.2166 -0.0642 -0.0009 61 GLN H NE2 4361 N N . ARG C 63 ? 0.7930 0.5557 0.5267 -0.1676 -0.0007 0.0117 62 ARG H N 4362 C CA . ARG C 63 ? 0.8642 0.6063 0.5747 -0.1518 0.0064 0.0103 62 ARG H CA 4363 C C . ARG C 63 ? 0.8767 0.6127 0.5895 -0.1454 0.0235 0.0173 62 ARG H C 4364 O O . ARG C 63 ? 0.9955 0.7127 0.6887 -0.1337 0.0313 0.0178 62 ARG H O 4365 C CB . ARG C 63 ? 0.9583 0.7083 0.6622 -0.1464 0.0028 0.0069 62 ARG H CB 4366 C CG . ARG C 63 ? 1.0803 0.8072 0.7522 -0.1319 0.0006 0.0028 62 ARG H CG 4367 C CD . ARG C 63 ? 1.1617 0.9010 0.8283 -0.1272 -0.0112 -0.0033 62 ARG H CD 4368 N NE . ARG C 63 ? 1.2879 1.0231 0.9482 -0.1178 -0.0041 0.0000 62 ARG H NE 4369 C CZ . ARG C 63 ? 1.3785 1.0888 1.0087 -0.1029 -0.0012 0.0010 62 ARG H CZ 4370 N NH1 . ARG C 63 ? 1.3814 1.0728 0.9860 -0.0946 -0.0045 -0.0019 62 ARG H NH1 4371 N NH2 . ARG C 63 ? 1.4057 1.1063 1.0277 -0.0962 0.0040 0.0050 62 ARG H NH2 4372 N N . PHE C 64 ? 0.8882 0.6430 0.6249 -0.1536 0.0292 0.0223 63 PHE H N 4373 C CA . PHE C 64 ? 0.8922 0.6485 0.6360 -0.1516 0.0445 0.0292 63 PHE H CA 4374 C C . PHE C 64 ? 0.8987 0.6645 0.6601 -0.1542 0.0477 0.0326 63 PHE H C 4375 O O . PHE C 64 ? 0.8558 0.6318 0.6296 -0.1540 0.0594 0.0382 63 PHE H O 4376 C CB . PHE C 64 ? 0.8618 0.6293 0.6176 -0.1587 0.0474 0.0318 63 PHE H CB 4377 C CG . PHE C 64 ? 0.8373 0.5938 0.5744 -0.1530 0.0424 0.0280 63 PHE H CG 4378 C CD1 . PHE C 64 ? 0.7344 0.4692 0.4486 -0.1449 0.0507 0.0315 63 PHE H CD1 4379 C CD2 . PHE C 64 ? 0.9823 0.7520 0.7238 -0.1548 0.0295 0.0215 63 PHE H CD2 4380 C CE1 . PHE C 64 ? 0.9227 0.6438 0.6162 -0.1368 0.0444 0.0283 63 PHE H CE1 4381 C CE2 . PHE C 64 ? 1.0388 0.8014 0.7633 -0.1457 0.0238 0.0171 63 PHE H CE2 4382 C CZ . PHE C 64 ? 1.0759 0.8115 0.7752 -0.1357 0.0304 0.0204 63 PHE H CZ 4383 N N . GLN C 65 ? 0.9419 0.7048 0.7042 -0.1573 0.0363 0.0297 64 GLN H N 4384 C CA . GLN C 65 ? 0.9089 0.6726 0.6804 -0.1556 0.0365 0.0324 64 GLN H CA 4385 C C . GLN C 65 ? 0.9279 0.6813 0.6875 -0.1389 0.0481 0.0329 64 GLN H C 4386 O O . GLN C 65 ? 0.9967 0.7314 0.7315 -0.1288 0.0503 0.0290 64 GLN H O 4387 C CB . GLN C 65 ? 1.0932 0.8419 0.8556 -0.1609 0.0210 0.0292 64 GLN H CB 4388 C CG . GLN C 65 ? 1.2619 1.0018 1.0267 -0.1569 0.0181 0.0319 64 GLN H CG 4389 C CD . GLN C 65 ? 1.3944 1.1533 1.1808 -0.1706 0.0130 0.0377 64 GLN H CD 4390 O OE1 . GLN C 65 ? 1.4057 1.1759 1.2063 -0.1661 0.0175 0.0421 64 GLN H OE1 4391 N NE2 . GLN C 65 ? 1.4046 1.1793 1.1986 -0.1798 0.0029 0.0356 64 GLN H NE2 4392 N N . ASP C 66 ? 1.0369 0.8065 0.8142 -0.1351 0.0559 0.0374 65 ASP H N 4393 C CA . ASP C 66 ? 1.1907 0.9611 0.9616 -0.1176 0.0687 0.0380 65 ASP H CA 4394 C C . ASP C 66 ? 1.1308 0.9042 0.8912 -0.1130 0.0845 0.0404 65 ASP H C 4395 O O . ASP C 66 ? 1.0342 0.8195 0.7948 -0.1011 0.0987 0.0429 65 ASP H O 4396 C CB . ASP C 66 ? 1.3227 1.0640 1.0690 -0.1017 0.0605 0.0315 65 ASP H CB 4397 C CG . ASP C 66 ? 1.4574 1.1709 1.1691 -0.0914 0.0606 0.0251 65 ASP H CG 4398 O OD1 . ASP C 66 ? 1.5877 1.3048 1.2883 -0.0768 0.0753 0.0254 65 ASP H OD1 4399 O OD2 . ASP C 66 ? 1.4268 1.1170 1.1217 -0.0981 0.0458 0.0197 65 ASP H OD2 4400 N N . ARG C 67 ? 1.0253 0.7889 0.7753 -0.1216 0.0821 0.0401 66 ARG H N 4401 C CA . ARG C 67 ? 0.8797 0.6416 0.6172 -0.1201 0.0959 0.0447 66 ARG H CA 4402 C C . ARG C 67 ? 0.7596 0.5445 0.5230 -0.1356 0.1039 0.0527 66 ARG H C 4403 O O . ARG C 67 ? 0.7425 0.5302 0.5012 -0.1383 0.1178 0.0595 66 ARG H O 4404 C CB . ARG C 67 ? 0.8652 0.6019 0.5755 -0.1193 0.0875 0.0404 66 ARG H CB 4405 C CG . ARG C 67 ? 1.0170 0.7330 0.6920 -0.1037 0.0950 0.0392 66 ARG H CG 4406 C CD . ARG C 67 ? 1.1912 0.8920 0.8455 -0.1056 0.0960 0.0421 66 ARG H CD 4407 N NE . ARG C 67 ? 1.3644 1.0540 1.0112 -0.1075 0.0772 0.0344 66 ARG H NE 4408 C CZ . ARG C 67 ? 1.4174 1.0936 1.0459 -0.1060 0.0730 0.0346 66 ARG H CZ 4409 N NH1 . ARG C 67 ? 1.4406 1.1056 1.0529 -0.1042 0.0861 0.0432 66 ARG H NH1 4410 N NH2 . ARG C 67 ? 1.3507 1.0255 0.9767 -0.1061 0.0556 0.0267 66 ARG H NH2 4411 N N . VAL C 68 ? 0.7131 0.4310 0.5482 -0.0106 0.0282 0.0837 67 VAL H N 4412 C CA . VAL C 68 ? 0.6637 0.3847 0.4938 -0.0188 0.0237 0.0865 67 VAL H CA 4413 C C . VAL C 68 ? 0.7882 0.5192 0.6253 -0.0193 0.0194 0.0922 67 VAL H C 4414 O O . VAL C 68 ? 1.0486 0.7796 0.8916 -0.0129 0.0201 0.0936 67 VAL H O 4415 C CB . VAL C 68 ? 0.6424 0.3476 0.4566 -0.0227 0.0226 0.0831 67 VAL H CB 4416 C CG1 . VAL C 68 ? 0.5545 0.2545 0.3645 -0.0231 0.0187 0.0849 67 VAL H CG1 4417 C CG2 . VAL C 68 ? 0.6952 0.3987 0.5007 -0.0309 0.0221 0.0830 67 VAL H CG2 4418 N N . ILE C 69 ? 0.5959 0.3357 0.4321 -0.0272 0.0151 0.0958 68 ILE H N 4419 C CA . ILE C 69 ? 0.6488 0.3996 0.4899 -0.0289 0.0100 0.1016 68 ILE H CA 4420 C C . ILE C 69 ? 0.7044 0.4520 0.5330 -0.0401 0.0042 0.1018 68 ILE H C 4421 O O . ILE C 69 ? 0.8038 0.5498 0.6260 -0.0483 0.0039 0.1003 68 ILE H O 4422 C CB . ILE C 69 ? 0.5558 0.3292 0.4144 -0.0257 0.0106 0.1087 68 ILE H CB 4423 C CG1 . ILE C 69 ? 0.6384 0.4283 0.4992 -0.0346 0.0038 0.1148 68 ILE H CG1 4424 C CG2 . ILE C 69 ? 0.6015 0.3796 0.4661 -0.0237 0.0159 0.1077 68 ILE H CG2 4425 C CD1 . ILE C 69 ? 0.7362 0.5518 0.6152 -0.0311 0.0042 0.1236 68 ILE H CD1 4426 N N . ILE C 70 ? 0.6451 0.3902 0.4690 -0.0406 0.0001 0.1036 69 ILE H N 4427 C CA . ILE C 70 ? 0.6719 0.4103 0.4807 -0.0508 -0.0051 0.1031 69 ILE H CA 4428 C C . ILE C 70 ? 0.7717 0.5281 0.5860 -0.0551 -0.0118 0.1096 69 ILE H C 4429 O O . ILE C 70 ? 0.9056 0.6700 0.7287 -0.0477 -0.0126 0.1138 69 ILE H O 4430 C CB . ILE C 70 ? 0.5556 0.2724 0.3491 -0.0481 -0.0042 0.0993 69 ILE H CB 4431 C CG1 . ILE C 70 ? 0.5523 0.2541 0.3408 -0.0438 0.0020 0.0939 69 ILE H CG1 4432 C CG2 . ILE C 70 ? 0.5702 0.2770 0.3452 -0.0583 -0.0087 0.0984 69 ILE H CG2 4433 C CD1 . ILE C 70 ? 0.6378 0.3206 0.4129 -0.0404 0.0036 0.0914 69 ILE H CD1 4434 N N . THR C 71 ? 0.7661 0.5290 0.5750 -0.0675 -0.0165 0.1106 70 THR H N 4435 C CA . THR C 71 ? 0.8124 0.5946 0.6254 -0.0739 -0.0239 0.1169 70 THR H CA 4436 C C . THR C 71 ? 0.8752 0.6448 0.6666 -0.0870 -0.0296 0.1139 70 THR H C 4437 O O . THR C 71 ? 0.9457 0.6910 0.7192 -0.0904 -0.0267 0.1073 70 THR H O 4438 C CB . THR C 71 ? 0.8696 0.6784 0.6994 -0.0781 -0.0254 0.1230 70 THR H CB 4439 O OG1 . THR C 71 ? 0.8750 0.6764 0.6995 -0.0856 -0.0228 0.1187 70 THR H OG1 4440 C CG2 . THR C 71 ? 0.9440 0.7678 0.7949 -0.0640 -0.0202 0.1280 70 THR H CG2 4441 N N . ALA C 72 ? 0.8172 0.6033 0.6093 -0.0943 -0.0373 0.1190 71 ALA H N 4442 C CA . ALA C 72 ? 0.8304 0.6049 0.6004 -0.1081 -0.0432 0.1160 71 ALA H CA 4443 C C . ALA C 72 ? 0.9151 0.7161 0.6905 -0.1197 -0.0524 0.1224 71 ALA H C 4444 O O . ALA C 72 ? 0.8311 0.6579 0.6244 -0.1135 -0.0552 0.1305 71 ALA H O 4445 C CB . ALA C 72 ? 0.6784 0.4324 0.4324 -0.1024 -0.0429 0.1133 71 ALA H CB 4446 N N . ASP C 73 ? 1.2405 1.0350 0.9998 -0.1367 -0.0569 0.1192 72 ASP H N 4447 C CA . ASP C 73 ? 1.3528 1.1701 1.1127 -0.1508 -0.0669 0.1243 72 ASP H CA 4448 C C . ASP C 73 ? 1.4531 1.2489 1.1840 -0.1609 -0.0720 0.1192 72 ASP H C 4449 O O . ASP C 73 ? 1.5741 1.3428 1.2822 -0.1710 -0.0702 0.1115 72 ASP H O 4450 C CB . ASP C 73 ? 1.3779 1.2072 1.1431 -0.1650 -0.0685 0.1251 72 ASP H CB 4451 C CG . ASP C 73 ? 1.5165 1.3802 1.2915 -0.1777 -0.0789 0.1333 72 ASP H CG 4452 O OD1 . ASP C 73 ? 1.6202 1.4925 1.3900 -0.1793 -0.0860 0.1364 72 ASP H OD1 4453 O OD2 . ASP C 73 ? 1.4899 1.3735 1.2782 -0.1860 -0.0801 0.1373 72 ASP H OD2 4454 N N . GLU C 74 ? 1.2233 1.0303 0.9542 -0.1574 -0.0775 0.1237 73 GLU H N 4455 C CA . GLU C 74 ? 1.2682 1.0549 0.9710 -0.1651 -0.0821 0.1192 73 GLU H CA 4456 C C . GLU C 74 ? 1.2767 1.0703 0.9655 -0.1877 -0.0915 0.1184 73 GLU H C 4457 O O . GLU C 74 ? 1.2114 0.9819 0.8714 -0.1980 -0.0945 0.1125 73 GLU H O 4458 C CB . GLU C 74 ? 1.3801 1.1776 1.0879 -0.1533 -0.0847 0.1249 73 GLU H CB 4459 C CG . GLU C 74 ? 1.5457 1.3108 1.2271 -0.1495 -0.0824 0.1191 73 GLU H CG 4460 C CD . GLU C 74 ? 1.6433 1.4192 1.3329 -0.1355 -0.0834 0.1254 73 GLU H CD 4461 O OE1 . GLU C 74 ? 1.6297 1.4391 1.3417 -0.1318 -0.0875 0.1344 73 GLU H OE1 4462 O OE2 . GLU C 74 ? 1.6835 1.4349 1.3575 -0.1276 -0.0793 0.1221 73 GLU H OE2 4463 N N . SER C 75 ? 1.3887 1.2139 1.0975 -0.1959 -0.0960 0.1245 74 SER H N 4464 C CA . SER C 75 ? 1.4176 1.2530 1.1157 -0.2191 -0.1056 0.1244 74 SER H CA 4465 C C . SER C 75 ? 1.5251 1.3303 1.2033 -0.2326 -0.1013 0.1150 74 SER H C 4466 O O . SER C 75 ? 1.6614 1.4548 1.3162 -0.2523 -0.1072 0.1104 74 SER H O 4467 C CB . SER C 75 ? 1.3005 1.1833 1.0286 -0.2232 -0.1117 0.1357 74 SER H CB 4468 O OG . SER C 75 ? 1.2244 1.1108 0.9631 -0.2292 -0.1078 0.1352 74 SER H OG 4469 N N . THR C 76 ? 1.4315 1.2236 1.1181 -0.2221 -0.0909 0.1123 75 THR H N 4470 C CA . THR C 76 ? 1.3552 1.1182 1.0243 -0.2322 -0.0851 0.1043 75 THR H CA 4471 C C . THR C 76 ? 1.2819 1.0017 0.9270 -0.2225 -0.0760 0.0958 75 THR H C 4472 O O . THR C 76 ? 1.2340 0.9255 0.8621 -0.2279 -0.0694 0.0893 75 THR H O 4473 C CB . THR C 76 ? 1.2681 1.0458 0.9614 -0.2282 -0.0793 0.1074 75 THR H CB 4474 O OG1 . THR C 76 ? 1.3430 1.1174 1.0507 -0.2058 -0.0706 0.1081 75 THR H OG1 4475 C CG2 . THR C 76 ? 1.1339 0.9571 0.8539 -0.2351 -0.0871 0.1175 75 THR H CG2 4476 N N . SER C 77 ? 1.2334 0.9493 0.8776 -0.2079 -0.0752 0.0969 76 SER H N 4477 C CA . SER C 77 ? 1.1635 0.8430 0.7881 -0.1964 -0.0665 0.0907 76 SER H CA 4478 C C . SER C 77 ? 1.1030 0.7686 0.7342 -0.1864 -0.0555 0.0880 76 SER H C 4479 O O . SER C 77 ? 1.0927 0.7249 0.7015 -0.1868 -0.0483 0.0818 76 SER H O 4480 C CB . SER C 77 ? 1.1567 0.8024 0.7432 -0.2096 -0.0674 0.0835 76 SER H CB 4481 O OG . SER C 77 ? 1.2398 0.8916 0.8166 -0.2124 -0.0755 0.0854 76 SER H OG 4482 N N . THR C 78 ? 0.9801 0.6714 0.6414 -0.1767 -0.0539 0.0932 77 THR H N 4483 C CA . THR C 78 ? 1.0119 0.6947 0.6814 -0.1681 -0.0444 0.0911 77 THR H CA 4484 C C . THR C 78 ? 0.9955 0.6942 0.6898 -0.1491 -0.0409 0.0952 77 THR H C 4485 O O . THR C 78 ? 1.0437 0.7711 0.7587 -0.1454 -0.0457 0.1017 77 THR H O 4486 C CB . THR C 78 ? 1.1636 0.8601 0.8430 -0.1798 -0.0450 0.0923 77 THR H CB 4487 O OG1 . THR C 78 ? 1.3184 1.0148 0.9827 -0.2002 -0.0525 0.0913 77 THR H OG1 4488 C CG2 . THR C 78 ? 1.1241 0.7971 0.7958 -0.1768 -0.0348 0.0874 77 THR H CG2 4489 N N . ALA C 79 ? 1.0931 0.7727 0.7844 -0.1372 -0.0321 0.0917 78 ALA H N 4490 C CA . ALA C 79 ? 1.0698 0.7603 0.7819 -0.1204 -0.0281 0.0944 78 ALA H CA 4491 C C . ALA C 79 ? 1.1453 0.8362 0.8677 -0.1160 -0.0211 0.0930 78 ALA H C 4492 O O . ALA C 79 ? 1.2039 0.8744 0.9115 -0.1199 -0.0161 0.0885 78 ALA H O 4493 C CB . ALA C 79 ? 0.9754 0.6466 0.6768 -0.1093 -0.0246 0.0923 78 ALA H CB 4494 N N . TYR C 80 ? 0.9403 0.6534 0.6870 -0.1073 -0.0203 0.0970 79 TYR H N 4495 C CA . TYR C 80 ? 0.8299 0.5467 0.5875 -0.1036 -0.0143 0.0963 79 TYR H CA 4496 C C . TYR C 80 ? 0.8548 0.5688 0.6219 -0.0877 -0.0084 0.0953 79 TYR H C 4497 O O . TYR C 80 ? 0.9112 0.6335 0.6881 -0.0793 -0.0097 0.0980 79 TYR H O 4498 C CB . TYR C 80 ? 0.9212 0.6672 0.6988 -0.1080 -0.0175 0.1022 79 TYR H CB 4499 C CG . TYR C 80 ? 1.1342 0.8896 0.9061 -0.1245 -0.0251 0.1046 79 TYR H CG 4500 C CD1 . TYR C 80 ? 1.2522 1.0372 1.0403 -0.1271 -0.0317 0.1122 79 TYR H CD1 4501 C CD2 . TYR C 80 ? 1.1707 0.9056 0.9205 -0.1378 -0.0254 0.0997 79 TYR H CD2 4502 C CE1 . TYR C 80 ? 1.3246 1.1206 1.1077 -0.1434 -0.0396 0.1147 79 TYR H CE1 4503 C CE2 . TYR C 80 ? 1.1980 0.9405 0.9412 -0.1546 -0.0328 0.1013 79 TYR H CE2 4504 C CZ . TYR C 80 ? 1.2580 1.0322 1.0183 -0.1579 -0.0405 0.1087 79 TYR H CZ 4505 O OH . TYR C 80 ? 1.2315 1.0155 0.9853 -0.1759 -0.0487 0.1106 79 TYR H OH 4506 N N . MET C 81 ? 0.9785 0.6805 0.7419 -0.0842 -0.0017 0.0915 80 MET H N 4507 C CA . MET C 81 ? 0.9807 0.6815 0.7530 -0.0711 0.0036 0.0902 80 MET H CA 4508 C C . MET C 81 ? 0.8797 0.5918 0.6645 -0.0694 0.0075 0.0907 80 MET H C 4509 O O . MET C 81 ? 0.9144 0.6173 0.6911 -0.0730 0.0114 0.0881 80 MET H O 4510 C CB . MET C 81 ? 1.0565 0.7333 0.8121 -0.0671 0.0082 0.0856 80 MET H CB 4511 C CG . MET C 81 ? 1.0399 0.7154 0.8030 -0.0547 0.0123 0.0843 80 MET H CG 4512 S SD . MET C 81 ? 0.9887 0.6653 0.7569 -0.0505 0.0189 0.0818 80 MET H SD 4513 C CE . MET C 81 ? 2.0355 1.6946 1.7834 -0.0590 0.0219 0.0797 80 MET H CE 4514 N N . GLU C 82 ? 0.7282 0.4594 0.5318 -0.0633 0.0073 0.0945 81 GLU H N 4515 C CA . GLU C 82 ? 0.6673 0.4104 0.4829 -0.0610 0.0113 0.0958 81 GLU H CA 4516 C C . GLU C 82 ? 0.7437 0.4820 0.5639 -0.0490 0.0173 0.0927 81 GLU H C 4517 O O . GLU C 82 ? 0.8127 0.5530 0.6398 -0.0409 0.0175 0.0933 81 GLU H O 4518 C CB . GLU C 82 ? 0.8000 0.5688 0.6331 -0.0623 0.0082 0.1030 81 GLU H CB 4519 C CG . GLU C 82 ? 0.9275 0.7095 0.7756 -0.0552 0.0136 0.1054 81 GLU H CG 4520 C CD . GLU C 82 ? 1.0072 0.8162 0.8723 -0.0571 0.0111 0.1141 81 GLU H CD 4521 O OE1 . GLU C 82 ? 1.0388 0.8591 0.9137 -0.0511 0.0092 0.1188 81 GLU H OE1 4522 O OE2 . GLU C 82 ? 1.0093 0.8287 0.8783 -0.0644 0.0112 0.1169 81 GLU H OE2 4523 N N . VAL C 83 ? 0.7187 0.4501 0.5344 -0.0484 0.0223 0.0895 82 VAL H N 4524 C CA . VAL C 83 ? 0.6855 0.4133 0.5043 -0.0384 0.0277 0.0863 82 VAL H CA 4525 C C . VAL C 83 ? 0.7671 0.5104 0.5999 -0.0345 0.0311 0.0891 82 VAL H C 4526 O O . VAL C 83 ? 0.9650 0.7119 0.7978 -0.0381 0.0337 0.0899 82 VAL H O 4527 C CB . VAL C 83 ? 0.6426 0.3548 0.4476 -0.0386 0.0318 0.0817 82 VAL H CB 4528 C CG1 . VAL C 83 ? 0.5333 0.2418 0.3399 -0.0290 0.0358 0.0780 82 VAL H CG1 4529 C CG2 . VAL C 83 ? 0.6580 0.3544 0.4472 -0.0435 0.0297 0.0801 82 VAL H CG2 4530 N N . SER C 84 A 0.8781 0.6296 0.7223 -0.0266 0.0320 0.0911 82 SER H N 4531 C CA . SER C 84 A 0.9942 0.7581 0.8503 -0.0206 0.0368 0.0938 82 SER H CA 4532 C C . SER C 84 A 0.9660 0.7195 0.8163 -0.0148 0.0427 0.0880 82 SER H C 4533 O O . SER C 84 A 1.1903 0.9308 1.0334 -0.0111 0.0432 0.0829 82 SER H O 4534 C CB . SER C 84 A 1.1566 0.9301 1.0249 -0.0130 0.0372 0.0980 82 SER H CB 4535 O OG . SER C 84 A 1.1976 0.9644 1.0625 -0.0132 0.0330 0.0974 82 SER H OG 4536 N N . ASN C 85 B 0.7159 0.4761 0.5693 -0.0144 0.0469 0.0894 82 ASN H N 4537 C CA . ASN C 85 B 0.8006 0.5538 0.6492 -0.0082 0.0528 0.0847 82 ASN H CA 4538 C C . ASN C 85 B 0.7706 0.5078 0.6042 -0.0101 0.0525 0.0785 82 ASN H C 4539 O O . ASN C 85 B 0.7910 0.5185 0.6194 -0.0068 0.0517 0.0742 82 ASN H O 4540 C CB . ASN C 85 B 0.8850 0.6376 0.7388 0.0018 0.0564 0.0834 82 ASN H CB 4541 C CG . ASN C 85 B 1.0224 0.7702 0.8717 0.0079 0.0627 0.0793 82 ASN H CG 4542 O OD1 . ASN C 85 B 1.1417 0.8770 0.9805 0.0093 0.0632 0.0728 82 ASN H OD1 4543 N ND2 . ASN C 85 B 0.9849 0.7435 0.8418 0.0116 0.0676 0.0835 82 ASN H ND2 4544 N N . LEU C 86 C 0.6884 0.4236 0.5155 -0.0153 0.0538 0.0787 82 LEU H N 4545 C CA . LEU C 86 C 0.6827 0.4040 0.4955 -0.0168 0.0543 0.0745 82 LEU H CA 4546 C C . LEU C 86 C 0.6898 0.4070 0.4975 -0.0098 0.0590 0.0703 82 LEU H C 4547 O O . LEU C 86 C 0.7402 0.4642 0.5535 -0.0050 0.0629 0.0705 82 LEU H O 4548 C CB . LEU C 86 C 0.6715 0.3903 0.4778 -0.0249 0.0548 0.0768 82 LEU H CB 4549 C CG . LEU C 86 C 0.6601 0.3766 0.4638 -0.0341 0.0496 0.0793 82 LEU H CG 4550 C CD1 . LEU C 86 C 0.5521 0.2646 0.3484 -0.0425 0.0515 0.0810 82 LEU H CD1 4551 C CD2 . LEU C 86 C 0.6202 0.3235 0.4139 -0.0334 0.0468 0.0764 82 LEU H CD2 4552 N N . ARG C 87 ? 0.6479 0.3546 0.4444 -0.0092 0.0587 0.0670 83 ARG H N 4553 C CA . ARG C 87 ? 0.7044 0.4082 0.4941 -0.0040 0.0624 0.0634 83 ARG H CA 4554 C C . ARG C 87 ? 0.7659 0.4621 0.5433 -0.0062 0.0642 0.0640 83 ARG H C 4555 O O . ARG C 87 ? 0.7808 0.4709 0.5535 -0.0113 0.0625 0.0662 83 ARG H O 4556 C CB . ARG C 87 ? 0.8011 0.5016 0.5899 0.0001 0.0605 0.0591 83 ARG H CB 4557 C CG . ARG C 87 ? 1.0588 0.7630 0.8579 0.0025 0.0593 0.0588 83 ARG H CG 4558 C CD . ARG C 87 ? 1.2480 0.9493 1.0502 -0.0003 0.0543 0.0602 83 ARG H CD 4559 N NE . ARG C 87 ? 1.3132 1.0083 1.1127 0.0020 0.0527 0.0564 83 ARG H NE 4560 C CZ . ARG C 87 ? 1.3794 1.0738 1.1852 0.0046 0.0521 0.0553 83 ARG H CZ 4561 N NH1 . ARG C 87 ? 1.4374 1.1378 1.2527 0.0065 0.0534 0.0584 83 ARG H NH1 4562 N NH2 . ARG C 87 ? 1.4119 1.0999 1.2146 0.0054 0.0507 0.0518 83 ARG H NH2 4563 N N . SER C 88 ? 0.9305 0.6266 0.7015 -0.0018 0.0681 0.0623 84 SER H N 4564 C CA . SER C 88 ? 1.1385 0.8281 0.8977 -0.0020 0.0712 0.0638 84 SER H CA 4565 C C . SER C 88 ? 1.1892 0.8709 0.9413 -0.0026 0.0684 0.0640 84 SER H C 4566 O O . SER C 88 ? 1.2265 0.9000 0.9688 -0.0039 0.0707 0.0667 84 SER H O 4567 C CB . SER C 88 ? 1.1413 0.8345 0.8956 0.0040 0.0754 0.0622 84 SER H CB 4568 O OG . SER C 88 ? 1.0484 0.7481 0.8082 0.0052 0.0790 0.0627 84 SER H OG 4569 N N . GLU C 89 ? 1.1613 0.8447 0.9180 -0.0012 0.0640 0.0614 85 GLU H N 4570 C CA . GLU C 89 ? 1.1269 0.8046 0.8785 -0.0012 0.0614 0.0621 85 GLU H CA 4571 C C . GLU C 89 ? 1.1493 0.8207 0.9017 -0.0060 0.0584 0.0643 85 GLU H C 4572 O O . GLU C 89 ? 1.1062 0.7711 0.8529 -0.0061 0.0570 0.0658 85 GLU H O 4573 C CB . GLU C 89 ? 1.0481 0.7300 0.8040 0.0016 0.0581 0.0585 85 GLU H CB 4574 C CG . GLU C 89 ? 1.1720 0.8583 0.9384 0.0017 0.0565 0.0554 85 GLU H CG 4575 C CD . GLU C 89 ? 1.3900 1.0816 1.1568 0.0048 0.0600 0.0527 85 GLU H CD 4576 O OE1 . GLU C 89 ? 1.4826 1.1755 1.2425 0.0065 0.0635 0.0536 85 GLU H OE1 4577 O OE2 . GLU C 89 ? 1.4152 1.1090 1.1886 0.0063 0.0600 0.0500 85 GLU H OE2 4578 N N . ASP C 90 ? 1.1073 0.7816 0.8664 -0.0101 0.0575 0.0650 86 ASP H N 4579 C CA . ASP C 90 ? 0.9257 0.5957 0.6851 -0.0156 0.0541 0.0671 86 ASP H CA 4580 C C . ASP C 90 ? 0.8329 0.4928 0.5805 -0.0206 0.0568 0.0696 86 ASP H C 4581 O O . ASP C 90 ? 0.8742 0.5290 0.6192 -0.0267 0.0542 0.0711 86 ASP H O 4582 C CB . ASP C 90 ? 0.9024 0.5824 0.6750 -0.0180 0.0514 0.0677 86 ASP H CB 4583 C CG . ASP C 90 ? 1.0443 0.7281 0.8255 -0.0149 0.0478 0.0665 86 ASP H CG 4584 O OD1 . ASP C 90 ? 1.1162 0.7935 0.8930 -0.0140 0.0457 0.0660 86 ASP H OD1 4585 O OD2 . ASP C 90 ? 1.0281 0.7209 0.8203 -0.0129 0.0477 0.0665 86 ASP H OD2 4586 N N . THR C 91 ? 0.7233 0.3794 0.4626 -0.0181 0.0623 0.0701 87 THR H N 4587 C CA . THR C 91 ? 0.6881 0.3313 0.4139 -0.0220 0.0665 0.0725 87 THR H CA 4588 C C . THR C 91 ? 0.6917 0.3216 0.4051 -0.0207 0.0668 0.0738 87 THR H C 4589 O O . THR C 91 ? 0.7803 0.4089 0.4886 -0.0139 0.0694 0.0747 87 THR H O 4590 C CB . THR C 91 ? 0.8584 0.5011 0.5786 -0.0183 0.0734 0.0735 87 THR H CB 4591 O OG1 . THR C 91 ? 1.0259 0.6800 0.7567 -0.0194 0.0739 0.0729 87 THR H OG1 4592 C CG2 . THR C 91 ? 0.8756 0.5019 0.5801 -0.0219 0.0790 0.0763 87 THR H CG2 4593 N N . ALA C 92 ? 0.7586 0.3796 0.4669 -0.0272 0.0641 0.0744 88 ALA H N 4594 C CA . ALA C 92 ? 0.7580 0.3699 0.4569 -0.0254 0.0642 0.0746 88 ALA H CA 4595 C C . ALA C 92 ? 0.7632 0.3674 0.4557 -0.0337 0.0621 0.0735 88 ALA H C 4596 O O . ALA C 92 ? 0.8106 0.4121 0.5027 -0.0424 0.0611 0.0743 88 ALA H O 4597 C CB . ALA C 92 ? 0.7095 0.3267 0.4153 -0.0209 0.0596 0.0746 88 ALA H CB 4598 N N . VAL C 93 ? 0.6438 0.2442 0.3305 -0.0315 0.0618 0.0720 89 VAL H N 4599 C CA . VAL C 93 ? 0.8024 0.3935 0.4802 -0.0391 0.0597 0.0704 89 VAL H CA 4600 C C . VAL C 93 ? 0.8385 0.4327 0.5215 -0.0412 0.0526 0.0710 89 VAL H C 4601 O O . VAL C 93 ? 0.8124 0.4132 0.5024 -0.0341 0.0510 0.0716 89 VAL H O 4602 C CB . VAL C 93 ? 0.8727 0.4555 0.5385 -0.0350 0.0645 0.0685 89 VAL H CB 4603 C CG1 . VAL C 93 ? 0.8838 0.4525 0.5357 -0.0447 0.0647 0.0661 89 VAL H CG1 4604 C CG2 . VAL C 93 ? 0.8556 0.4401 0.5201 -0.0274 0.0717 0.0692 89 VAL H CG2 4605 N N . TYR C 94 ? 0.7485 0.3380 0.4278 -0.0515 0.0484 0.0713 90 TYR H N 4606 C CA . TYR C 94 ? 0.7572 0.3496 0.4408 -0.0539 0.0416 0.0728 90 TYR H CA 4607 C C . TYR C 94 ? 0.8251 0.4071 0.4951 -0.0598 0.0393 0.0712 90 TYR H C 4608 O O . TYR C 94 ? 0.9831 0.5586 0.6449 -0.0714 0.0369 0.0713 90 TYR H O 4609 C CB . TYR C 94 ? 0.7769 0.3796 0.4721 -0.0600 0.0371 0.0755 90 TYR H CB 4610 C CG . TYR C 94 ? 0.8304 0.4486 0.5426 -0.0523 0.0388 0.0753 90 TYR H CG 4611 C CD1 . TYR C 94 ? 0.8204 0.4433 0.5361 -0.0537 0.0424 0.0750 90 TYR H CD1 4612 C CD2 . TYR C 94 ? 0.8567 0.4836 0.5801 -0.0440 0.0370 0.0752 90 TYR H CD2 4613 C CE1 . TYR C 94 ? 0.8437 0.4796 0.5728 -0.0466 0.0442 0.0744 90 TYR H CE1 4614 C CE2 . TYR C 94 ? 0.8067 0.4455 0.5430 -0.0378 0.0386 0.0742 90 TYR H CE2 4615 C CZ . TYR C 94 ? 0.8093 0.4524 0.5478 -0.0389 0.0422 0.0737 90 TYR H CZ 4616 O OH . TYR C 94 ? 0.8243 0.4780 0.5737 -0.0327 0.0440 0.0724 90 TYR H OH 4617 N N . PHE C 95 ? 0.7419 0.3225 0.4091 -0.0524 0.0400 0.0699 91 PHE H N 4618 C CA . PHE C 95 ? 0.7697 0.3393 0.4226 -0.0564 0.0383 0.0682 91 PHE H CA 4619 C C . PHE C 95 ? 0.8862 0.4594 0.5427 -0.0607 0.0306 0.0709 91 PHE H C 4620 O O . PHE C 95 ? 0.9588 0.5436 0.6302 -0.0554 0.0280 0.0737 91 PHE H O 4621 C CB . PHE C 95 ? 0.6955 0.2630 0.3443 -0.0458 0.0429 0.0666 91 PHE H CB 4622 C CG . PHE C 95 ? 0.7996 0.3646 0.4448 -0.0400 0.0508 0.0652 91 PHE H CG 4623 C CD1 . PHE C 95 ? 0.8885 0.4387 0.5170 -0.0447 0.0554 0.0624 91 PHE H CD1 4624 C CD2 . PHE C 95 ? 0.8651 0.4420 0.5225 -0.0302 0.0536 0.0670 91 PHE H CD2 4625 C CE1 . PHE C 95 ? 0.9245 0.4722 0.5496 -0.0385 0.0632 0.0618 91 PHE H CE1 4626 C CE2 . PHE C 95 ? 0.8887 0.4641 0.5424 -0.0246 0.0606 0.0667 91 PHE H CE2 4627 C CZ . PHE C 95 ? 0.9653 0.5264 0.6034 -0.0282 0.0657 0.0643 91 PHE H CZ 4628 N N . CYS C 96 ? 0.8397 0.4022 0.4815 -0.0706 0.0271 0.0703 92 CYS H N 4629 C CA . CYS C 96 ? 0.8341 0.3984 0.4756 -0.0735 0.0202 0.0732 92 CYS H CA 4630 C C . CYS C 96 ? 0.9151 0.4675 0.5409 -0.0708 0.0216 0.0704 92 CYS H C 4631 O O . CYS C 96 ? 1.0453 0.5824 0.6524 -0.0764 0.0244 0.0666 92 CYS H O 4632 C CB . CYS C 96 ? 0.7948 0.3587 0.4320 -0.0889 0.0133 0.0766 92 CYS H CB 4633 S SG . CYS C 96 ? 1.1881 0.7338 0.8009 -0.1052 0.0134 0.0727 92 CYS H SG 4634 N N . ALA C 97 ? 0.9563 0.5151 0.5894 -0.0620 0.0204 0.0722 93 ALA H N 4635 C CA . ALA C 97 ? 0.9137 0.4628 0.5336 -0.0577 0.0224 0.0702 93 ALA H CA 4636 C C . ALA C 97 ? 0.9540 0.5025 0.5698 -0.0613 0.0155 0.0733 93 ALA H C 4637 O O . ALA C 97 ? 1.0509 0.6093 0.6772 -0.0650 0.0094 0.0778 93 ALA H O 4638 C CB . ALA C 97 ? 0.8567 0.4145 0.4883 -0.0434 0.0280 0.0701 93 ALA H CB 4639 N N . ARG C 98 ? 0.9570 0.4936 0.5566 -0.0600 0.0167 0.0714 94 ARG H N 4640 C CA . ARG C 98 ? 0.9829 0.5196 0.5785 -0.0611 0.0108 0.0747 94 ARG H CA 4641 C C . ARG C 98 ? 0.8608 0.4009 0.4615 -0.0477 0.0152 0.0748 94 ARG H C 4642 O O . ARG C 98 ? 0.9051 0.4414 0.5034 -0.0406 0.0225 0.0717 94 ARG H O 4643 C CB . ARG C 98 ? 1.1020 0.6198 0.6700 -0.0746 0.0068 0.0730 94 ARG H CB 4644 C CG . ARG C 98 ? 1.2068 0.7296 0.7728 -0.0819 -0.0028 0.0788 94 ARG H CG 4645 C CD . ARG C 98 ? 1.3007 0.8041 0.8364 -0.0942 -0.0067 0.0770 94 ARG H CD 4646 N NE . ARG C 98 ? 1.4167 0.9064 0.9385 -0.0852 -0.0010 0.0731 94 ARG H NE 4647 C CZ . ARG C 98 ? 1.5462 1.0157 1.0391 -0.0928 -0.0026 0.0704 94 ARG H CZ 4648 N NH1 . ARG C 98 ? 1.5471 1.0085 1.0216 -0.1111 -0.0106 0.0713 94 ARG H NH1 4649 N NH2 . ARG C 98 ? 1.6013 1.0592 1.0834 -0.0829 0.0037 0.0673 94 ARG H NH2 4650 N N . VAL C 99 ? 0.7025 0.2506 0.3107 -0.0442 0.0109 0.0791 95 VAL H N 4651 C CA . VAL C 99 ? 0.7684 0.3223 0.3844 -0.0321 0.0148 0.0801 95 VAL H CA 4652 C C . VAL C 99 ? 0.9010 0.4408 0.4959 -0.0327 0.0145 0.0794 95 VAL H C 4653 O O . VAL C 99 ? 0.9217 0.4462 0.4945 -0.0435 0.0105 0.0780 95 VAL H O 4654 C CB . VAL C 99 ? 0.7023 0.2751 0.3425 -0.0259 0.0117 0.0854 95 VAL H CB 4655 C CG1 . VAL C 99 ? 0.6701 0.2559 0.3310 -0.0211 0.0148 0.0851 95 VAL H CG1 4656 C CG2 . VAL C 99 ? 0.6546 0.2292 0.2935 -0.0338 0.0037 0.0896 95 VAL H CG2 4657 N N . GLY C 100 ? 1.1025 0.6473 0.7038 -0.0220 0.0185 0.0806 96 GLY H N 4658 C CA . GLY C 100 ? 1.1539 0.6873 0.7379 -0.0207 0.0184 0.0808 96 GLY H CA 4659 C C . GLY C 100 ? 1.1696 0.7053 0.7512 -0.0267 0.0098 0.0852 96 GLY H C 4660 O O . GLY C 100 ? 1.1462 0.6690 0.7067 -0.0307 0.0070 0.0852 96 GLY H O 4661 N N . GLY C 101 ? 1.2948 0.8471 0.8974 -0.0268 0.0056 0.0893 97 GLY H N 4662 C CA . GLY C 101 ? 1.2588 0.8153 0.8602 -0.0337 -0.0030 0.0945 97 GLY H CA 4663 C C . GLY C 101 ? 1.1740 0.7392 0.7823 -0.0265 -0.0051 0.1000 97 GLY H C 4664 O O . GLY C 101 ? 0.9935 0.5622 0.6096 -0.0162 0.0004 0.0997 97 GLY H O 4665 N N . GLU C 102 ? 1.2230 0.7933 0.8290 -0.0320 -0.0131 0.1059 98 GLU H N 4666 C CA . GLU C 102 ? 1.1169 0.6954 0.7272 -0.0257 -0.0158 0.1121 98 GLU H CA 4667 C C . GLU C 102 ? 1.0378 0.6316 0.6767 -0.0125 -0.0103 0.1144 98 GLU H C 4668 O O . GLU C 102 ? 1.1836 0.7770 0.8266 -0.0046 -0.0042 0.1121 98 GLU H O 4669 C CB . GLU C 102 ? 1.2342 0.7983 0.8204 -0.0260 -0.0152 0.1101 98 GLU H CB 4670 C CG . GLU C 102 ? 1.3787 0.9299 0.9351 -0.0406 -0.0232 0.1100 98 GLU H CG 4671 C CD . GLU C 102 ? 1.4476 1.0111 1.0026 -0.0426 -0.0321 0.1184 98 GLU H CD 4672 O OE1 . GLU C 102 ? 1.4212 0.9949 0.9899 -0.0307 -0.0299 0.1229 98 GLU H OE1 4673 O OE2 . GLU C 102 ? 1.4763 1.0532 1.0299 -0.0548 -0.0405 0.1169 98 GLU H OE2 4674 N N . TRP C 103 ? 0.8251 0.4325 0.4833 -0.0108 -0.0126 0.1191 99 TRP H N 4675 C CA . TRP C 103 ? 0.9166 0.5373 0.6009 -0.0001 -0.0079 0.1212 99 TRP H CA 4676 C C . TRP C 103 ? 0.9808 0.6050 0.6672 0.0077 -0.0062 0.1247 99 TRP H C 4677 O O . TRP C 103 ? 0.8777 0.5031 0.5561 0.0075 -0.0109 0.1302 99 TRP H O 4678 C CB . TRP C 103 ? 0.9174 0.5488 0.6175 0.0002 -0.0108 0.1263 99 TRP H CB 4679 C CG . TRP C 103 ? 0.9206 0.5509 0.6241 -0.0054 -0.0108 0.1229 99 TRP H CG 4680 C CD1 . TRP C 103 ? 0.8679 0.5083 0.5739 -0.0133 -0.0160 0.1228 99 TRP H CD1 4681 C CD2 . TRP C 103 ? 0.9897 0.6203 0.7035 -0.0036 -0.0051 0.1168 99 TRP H CD2 4682 N NE1 . TRP C 103 ? 0.8170 0.4570 0.5295 -0.0160 -0.0135 0.1183 99 TRP H NE1 4683 C CE2 . TRP C 103 ? 0.8926 0.5219 0.6057 -0.0102 -0.0070 0.1157 99 TRP H CE2 4684 C CE3 . TRP C 103 ? 1.1381 0.7714 0.8614 0.0026 0.0009 0.1130 99 TRP H CE3 4685 C CZ2 . TRP C 103 ? 0.9925 0.6222 0.7133 -0.0100 -0.0027 0.1104 99 TRP H CZ2 4686 C CZ3 . TRP C 103 ? 1.1393 0.7739 0.8698 0.0022 0.0044 0.1083 99 TRP H CZ3 4687 C CH2 . TRP C 103 ? 1.0756 0.7081 0.8046 -0.0037 0.0028 0.1068 99 TRP H CH2 4688 N N . GLY C 104 ? 0.9956 0.6228 0.6926 0.0143 0.0001 0.1220 100 GLY H N 4689 C CA . GLY C 104 ? 0.9671 0.5979 0.6669 0.0214 0.0024 0.1251 100 GLY H CA 4690 C C . GLY C 104 ? 0.8920 0.5128 0.5769 0.0224 0.0064 0.1208 100 GLY H C 4691 O O . GLY C 104 ? 0.9106 0.5328 0.5954 0.0281 0.0089 0.1230 100 GLY H O 4692 N N . SER C 105 A 0.8227 0.4329 0.4947 0.0171 0.0076 0.1149 100 SER H N 4693 C CA . SER C 105 A 0.8666 0.4649 0.5223 0.0183 0.0123 0.1106 100 SER H CA 4694 C C . SER C 105 A 0.9555 0.5619 0.6270 0.0236 0.0187 0.1087 100 SER H C 4695 O O . SER C 105 A 0.8829 0.4846 0.5474 0.0277 0.0238 0.1072 100 SER H O 4696 C CB . SER C 105 A 0.9040 0.4839 0.5337 0.0090 0.0102 0.1055 100 SER H CB 4697 O OG . SER C 105 A 0.9806 0.5636 0.6182 0.0041 0.0093 0.1032 100 SER H OG 4698 N N . GLY C 106 B 1.0718 0.6900 0.7634 0.0233 0.0182 0.1092 100 GLY H N 4699 C CA . GLY C 106 B 1.0845 0.7120 0.7913 0.0272 0.0229 0.1084 100 GLY H CA 4700 C C . GLY C 106 B 1.0823 0.7015 0.7778 0.0250 0.0263 0.1034 100 GLY H C 4701 O O . GLY C 106 B 1.0933 0.7201 0.7998 0.0278 0.0297 0.1032 100 GLY H O 4702 N N . ARG C 107 C 1.0815 0.6842 0.7538 0.0198 0.0252 0.0998 100 ARG H N 4703 C CA . ARG C 107 C 1.0610 0.6534 0.7205 0.0172 0.0288 0.0948 100 ARG H CA 4704 C C . ARG C 107 C 1.0696 0.6627 0.7324 0.0102 0.0255 0.0927 100 ARG H C 4705 O O . ARG C 107 C 1.0543 0.6357 0.7014 0.0023 0.0217 0.0908 100 ARG H O 4706 C CB . ARG C 107 C 1.0139 0.5850 0.6441 0.0147 0.0305 0.0914 100 ARG H CB 4707 C CG . ARG C 107 C 1.0681 0.6297 0.6833 0.0091 0.0244 0.0924 100 ARG H CG 4708 C CD . ARG C 107 C 1.1152 0.6521 0.6976 0.0045 0.0259 0.0879 100 ARG H CD 4709 N NE . ARG C 107 C 1.0843 0.6148 0.6599 0.0125 0.0343 0.0862 100 ARG H NE 4710 C CZ . ARG C 107 C 1.1127 0.6358 0.6768 0.0175 0.0367 0.0872 100 ARG H CZ 4711 N NH1 . ARG C 107 C 1.0748 0.5960 0.6325 0.0151 0.0311 0.0899 100 ARG H NH1 4712 N NH2 . ARG C 107 C 1.2053 0.7232 0.7642 0.0251 0.0449 0.0861 100 ARG H NH2 4713 N N . TYR C 108 D 1.0672 0.6736 0.7495 0.0127 0.0268 0.0935 100 TYR H N 4714 C CA . TYR C 108 D 0.8919 0.5008 0.5801 0.0073 0.0241 0.0920 100 TYR H CA 4715 C C . TYR C 108 D 0.9228 0.5286 0.6071 0.0067 0.0284 0.0884 100 TYR H C 4716 O O . TYR C 108 D 0.9833 0.5956 0.6781 0.0052 0.0280 0.0879 100 TYR H O 4717 C CB . TYR C 108 D 0.7987 0.4230 0.5104 0.0098 0.0219 0.0954 100 TYR H CB 4718 C CG . TYR C 108 D 0.9644 0.5924 0.6813 0.0112 0.0182 0.0996 100 TYR H CG 4719 C CD1 . TYR C 108 D 1.1702 0.7884 0.8709 0.0073 0.0146 0.1003 100 TYR H CD1 4720 C CD2 . TYR C 108 D 0.9766 0.6170 0.7133 0.0159 0.0183 0.1031 100 TYR H CD2 4721 C CE1 . TYR C 108 D 1.2185 0.8407 0.9233 0.0093 0.0114 0.1050 100 TYR H CE1 4722 C CE2 . TYR C 108 D 1.0807 0.7242 0.8222 0.0179 0.0157 0.1073 100 TYR H CE2 4723 C CZ . TYR C 108 D 1.2165 0.8517 0.9425 0.0152 0.0123 0.1086 100 TYR H CZ 4724 O OH . TYR C 108 D 1.2968 0.9360 1.0271 0.0178 0.0098 0.1137 100 TYR H OH 4725 N N . TYR C 109 E 0.9208 0.5158 0.5891 0.0085 0.0332 0.0862 100 TYR H N 4726 C CA . TYR C 109 E 0.8659 0.4545 0.5260 0.0078 0.0379 0.0828 100 TYR H CA 4727 C C . TYR C 109 E 0.8936 0.4691 0.5390 -0.0021 0.0349 0.0792 100 TYR H C 4728 O O . TYR C 109 E 0.9500 0.5183 0.5862 -0.0082 0.0298 0.0793 100 TYR H O 4729 C CB . TYR C 109 E 0.9264 0.5054 0.5724 0.0132 0.0446 0.0818 100 TYR H CB 4730 C CG . TYR C 109 E 1.0071 0.5695 0.6321 0.0111 0.0441 0.0803 100 TYR H CG 4731 C CD1 . TYR C 109 E 1.0121 0.5544 0.6135 0.0026 0.0429 0.0758 100 TYR H CD1 4732 C CD2 . TYR C 109 E 1.0041 0.5702 0.6317 0.0170 0.0446 0.0834 100 TYR H CD2 4733 C CE1 . TYR C 109 E 1.0398 0.5649 0.6190 -0.0004 0.0420 0.0742 100 TYR H CE1 4734 C CE2 . TYR C 109 E 1.0199 0.5698 0.6266 0.0152 0.0441 0.0820 100 TYR H CE2 4735 C CZ . TYR C 109 E 1.0195 0.5483 0.6011 0.0064 0.0426 0.0773 100 TYR H CZ 4736 O OH . TYR C 109 E 0.9018 0.4124 0.4598 0.0037 0.0417 0.0757 100 TYR H OH 4737 N N . LEU C 110 F 0.8383 0.4109 0.4811 -0.0041 0.0379 0.0766 100 LEU H N 4738 C CA . LEU C 110 F 0.8222 0.3825 0.4514 -0.0142 0.0358 0.0734 100 LEU H CA 4739 C C . LEU C 110 F 0.8853 0.4248 0.4891 -0.0165 0.0409 0.0692 100 LEU H C 4740 O O . LEU C 110 F 0.8055 0.3424 0.4065 -0.0123 0.0476 0.0676 100 LEU H O 4741 C CB . LEU C 110 F 0.8315 0.4008 0.4733 -0.0152 0.0364 0.0731 100 LEU H CB 4742 C CG . LEU C 110 F 0.7626 0.3503 0.4282 -0.0119 0.0330 0.0766 100 LEU H CG 4743 C CD1 . LEU C 110 F 0.7568 0.3528 0.4330 -0.0092 0.0362 0.0764 100 LEU H CD1 4744 C CD2 . LEU C 110 F 0.6711 0.2599 0.3397 -0.0192 0.0260 0.0781 100 LEU H CD2 4745 N N . ASP C 111 ? 1.1387 0.6624 0.7225 -0.0234 0.0378 0.0675 101 ASP H N 4746 C CA . ASP C 111 ? 1.2900 0.7909 0.8469 -0.0248 0.0432 0.0632 101 ASP H CA 4747 C C . ASP C 111 ? 1.2774 0.7613 0.8158 -0.0361 0.0438 0.0588 101 ASP H C 4748 O O . ASP C 111 ? 1.3818 0.8467 0.8993 -0.0361 0.0504 0.0547 101 ASP H O 4749 C CB . ASP C 111 ? 1.4607 0.9501 1.0015 -0.0258 0.0408 0.0633 101 ASP H CB 4750 C CG . ASP C 111 ? 1.5896 1.0737 1.1215 -0.0386 0.0313 0.0640 101 ASP H CG 4751 O OD1 . ASP C 111 ? 1.6960 1.1920 1.2419 -0.0443 0.0259 0.0661 101 ASP H OD1 4752 O OD2 . ASP C 111 ? 1.5529 1.0210 1.0629 -0.0430 0.0292 0.0628 101 ASP H OD2 4753 N N . HIS C 112 ? 1.0298 0.5202 0.5759 -0.0455 0.0374 0.0598 102 HIS H N 4754 C CA . HIS C 112 ? 1.0402 0.5173 0.5720 -0.0577 0.0373 0.0563 102 HIS H CA 4755 C C . HIS C 112 ? 1.1134 0.6071 0.6664 -0.0583 0.0364 0.0582 102 HIS H C 4756 O O . HIS C 112 ? 1.1963 0.7096 0.7722 -0.0531 0.0331 0.0622 102 HIS H O 4757 C CB . HIS C 112 ? 1.0833 0.5481 0.5971 -0.0732 0.0291 0.0559 102 HIS H CB 4758 C CG . HIS C 112 ? 1.1790 0.6206 0.6638 -0.0758 0.0307 0.0524 102 HIS H CG 4759 N ND1 . HIS C 112 ? 1.1648 0.6017 0.6388 -0.0818 0.0233 0.0543 102 HIS H ND1 4760 C CD2 . HIS C 112 ? 1.2524 0.6727 0.7150 -0.0728 0.0392 0.0474 102 HIS H CD2 4761 C CE1 . HIS C 112 ? 1.2086 0.6217 0.6545 -0.0829 0.0270 0.0500 102 HIS H CE1 4762 N NE2 . HIS C 112 ? 1.3056 0.7077 0.7440 -0.0773 0.0369 0.0457 102 HIS H NE2 4763 N N . TRP C 113 ? 1.1361 0.6207 0.6805 -0.0647 0.0398 0.0552 103 TRP H N 4764 C CA . TRP C 113 ? 1.0627 0.5613 0.6254 -0.0643 0.0405 0.0567 103 TRP H CA 4765 C C . TRP C 113 ? 1.1709 0.6603 0.7236 -0.0790 0.0387 0.0548 103 TRP H C 4766 O O . TRP C 113 ? 1.3769 0.8478 0.9069 -0.0900 0.0376 0.0517 103 TRP H O 4767 C CB . TRP C 113 ? 0.9276 0.4299 0.4963 -0.0517 0.0496 0.0561 103 TRP H CB 4768 C CG . TRP C 113 ? 0.9368 0.4527 0.5198 -0.0383 0.0511 0.0589 103 TRP H CG 4769 C CD1 . TRP C 113 ? 1.1050 0.6148 0.6796 -0.0312 0.0544 0.0587 103 TRP H CD1 4770 C CD2 . TRP C 113 ? 0.8153 0.3528 0.4232 -0.0311 0.0494 0.0627 103 TRP H CD2 4771 N NE1 . TRP C 113 ? 1.0772 0.6053 0.6715 -0.0205 0.0547 0.0625 103 TRP H NE1 4772 C CE2 . TRP C 113 ? 0.8730 0.4175 0.4870 -0.0207 0.0515 0.0647 103 TRP H CE2 4773 C CE3 . TRP C 113 ? 0.8809 0.4315 0.5052 -0.0328 0.0467 0.0645 103 TRP H CE3 4774 C CZ2 . TRP C 113 ? 0.8941 0.4579 0.5299 -0.0132 0.0504 0.0684 103 TRP H CZ2 4775 C CZ3 . TRP C 113 ? 0.8318 0.3998 0.4760 -0.0246 0.0460 0.0676 103 TRP H CZ3 4776 C CH2 . TRP C 113 ? 0.8602 0.4345 0.5098 -0.0156 0.0476 0.0694 103 TRP H CH2 4777 N N . GLY C 114 ? 1.1000 0.6025 0.6696 -0.0797 0.0385 0.0567 104 GLY H N 4778 C CA . GLY C 114 ? 1.1654 0.6617 0.7288 -0.0920 0.0387 0.0553 104 GLY H CA 4779 C C . GLY C 114 ? 1.1623 0.6527 0.7221 -0.0850 0.0485 0.0527 104 GLY H C 4780 O O . GLY C 114 ? 1.1528 0.6427 0.7124 -0.0721 0.0545 0.0521 104 GLY H O 4781 N N . GLN C 115 ? 1.0614 0.5482 0.6190 -0.0935 0.0504 0.0517 105 GLN H N 4782 C CA . GLN C 115 ? 1.0439 0.5264 0.5995 -0.0864 0.0599 0.0502 105 GLN H CA 4783 C C . GLN C 115 ? 1.0416 0.5444 0.6208 -0.0777 0.0609 0.0539 105 GLN H C 4784 O O . GLN C 115 ? 1.1468 0.6506 0.7282 -0.0687 0.0683 0.0540 105 GLN H O 4785 C CB . GLN C 115 ? 1.1655 0.6323 0.7053 -0.0994 0.0626 0.0471 105 GLN H CB 4786 C CG . GLN C 115 ? 1.1591 0.6371 0.7117 -0.1109 0.0578 0.0497 105 GLN H CG 4787 C CD . GLN C 115 ? 1.2387 0.7210 0.7920 -0.1251 0.0471 0.0515 105 GLN H CD 4788 O OE1 . GLN C 115 ? 1.3250 0.7980 0.8649 -0.1284 0.0432 0.0499 105 GLN H OE1 4789 N NE2 . GLN C 115 ? 1.2405 0.7373 0.8092 -0.1335 0.0424 0.0554 105 GLN H NE2 4790 N N . GLY C 116 ? 0.9803 0.4984 0.5759 -0.0805 0.0535 0.0574 106 GLY H N 4791 C CA . GLY C 116 ? 0.9515 0.4869 0.5675 -0.0733 0.0540 0.0606 106 GLY H CA 4792 C C . GLY C 116 ? 1.0599 0.5991 0.6815 -0.0827 0.0534 0.0622 106 GLY H C 4793 O O . GLY C 116 ? 1.1801 0.7081 0.7899 -0.0925 0.0555 0.0603 106 GLY H O 4794 N N . THR C 117 ? 0.9610 0.5156 0.6003 -0.0798 0.0508 0.0658 107 THR H N 4795 C CA . THR C 117 ? 0.9819 0.5422 0.6286 -0.0870 0.0510 0.0684 107 THR H CA 4796 C C . THR C 117 ? 1.0053 0.5757 0.6641 -0.0758 0.0557 0.0700 107 THR H C 4797 O O . THR C 117 ? 1.0528 0.6329 0.7224 -0.0676 0.0536 0.0715 107 THR H O 4798 C CB . THR C 117 ? 1.0266 0.5955 0.6815 -0.0971 0.0429 0.0725 107 THR H CB 4799 O OG1 . THR C 117 ? 1.0989 0.6588 0.7410 -0.1096 0.0379 0.0714 107 THR H OG1 4800 C CG2 . THR C 117 ? 0.6616 0.2452 0.3304 -0.1019 0.0432 0.0747 107 THR H CG2 4801 N N . LEU C 118 ? 1.0001 0.5673 0.6560 -0.0756 0.0621 0.0696 108 LEU H N 4802 C CA . LEU C 118 ? 0.8456 0.4215 0.5107 -0.0658 0.0667 0.0713 108 LEU H CA 4803 C C . LEU C 118 ? 0.8356 0.4207 0.5119 -0.0709 0.0650 0.0751 108 LEU H C 4804 O O . LEU C 118 ? 0.9990 0.5820 0.6737 -0.0815 0.0655 0.0765 108 LEU H O 4805 C CB . LEU C 118 ? 0.8521 0.4206 0.5086 -0.0620 0.0752 0.0699 108 LEU H CB 4806 C CG . LEU C 118 ? 0.8905 0.4678 0.5544 -0.0517 0.0801 0.0720 108 LEU H CG 4807 C CD1 . LEU C 118 ? 0.8235 0.4063 0.4897 -0.0395 0.0802 0.0718 108 LEU H CD1 4808 C CD2 . LEU C 118 ? 0.9627 0.5336 0.6194 -0.0512 0.0882 0.0720 108 LEU H CD2 4809 N N . VAL C 119 ? 0.7221 0.3212 0.4123 -0.0628 0.0627 0.0759 109 VAL H N 4810 C CA . VAL C 119 ? 0.7751 0.3958 0.4848 -0.0625 0.0607 0.0765 109 VAL H CA 4811 C C . VAL C 119 ? 0.8951 0.5197 0.6076 -0.0526 0.0668 0.0765 109 VAL H C 4812 O O . VAL C 119 ? 1.0059 0.6341 0.7213 -0.0433 0.0666 0.0755 109 VAL H O 4813 C CB . VAL C 119 ? 0.7585 0.3963 0.4847 -0.0603 0.0532 0.0763 109 VAL H CB 4814 C CG1 . VAL C 119 ? 0.6550 0.3132 0.3999 -0.0571 0.0531 0.0773 109 VAL H CG1 4815 C CG2 . VAL C 119 ? 0.7967 0.4344 0.5216 -0.0704 0.0467 0.0770 109 VAL H CG2 4816 N N . THR C 120 ? 0.8821 0.5060 0.5929 -0.0551 0.0721 0.0778 110 THR H N 4817 C CA . THR C 120 ? 0.8545 0.4834 0.5676 -0.0460 0.0779 0.0782 110 THR H CA 4818 C C . THR C 120 ? 0.8177 0.4675 0.5496 -0.0443 0.0758 0.0783 110 THR H C 4819 O O . THR C 120 ? 0.8206 0.4776 0.5595 -0.0514 0.0754 0.0803 110 THR H O 4820 C CB . THR C 120 ? 0.8676 0.4831 0.5675 -0.0481 0.0864 0.0802 110 THR H CB 4821 O OG1 . THR C 120 ? 0.9491 0.5479 0.6362 -0.0590 0.0866 0.0806 110 THR H OG1 4822 C CG2 . THR C 120 ? 0.7283 0.3352 0.4169 -0.0375 0.0927 0.0810 110 THR H CG2 4823 N N . VAL C 121 ? 0.7175 0.3767 0.4568 -0.0350 0.0747 0.0764 111 VAL H N 4824 C CA . VAL C 121 ? 0.6875 0.3640 0.4426 -0.0318 0.0736 0.0763 111 VAL H CA 4825 C C . VAL C 121 ? 0.7707 0.4509 0.5251 -0.0259 0.0803 0.0767 111 VAL H C 4826 O O . VAL C 121 ? 0.8071 0.4867 0.5573 -0.0178 0.0822 0.0747 111 VAL H O 4827 C CB . VAL C 121 ? 0.6579 0.3413 0.4211 -0.0258 0.0689 0.0737 111 VAL H CB 4828 C CG1 . VAL C 121 ? 0.6965 0.3953 0.4743 -0.0223 0.0691 0.0739 111 VAL H CG1 4829 C CG2 . VAL C 121 ? 0.6460 0.3262 0.4098 -0.0309 0.0628 0.0738 111 VAL H CG2 4830 N N . SER C 122 ? 0.8873 0.5645 0.5317 0.0792 0.0872 0.0761 112 SER H N 4831 C CA . SER C 122 ? 0.9508 0.6477 0.6197 0.0638 0.0798 0.0772 112 SER H CA 4832 C C . SER C 122 ? 0.9024 0.6082 0.5735 0.0587 0.0665 0.0789 112 SER H C 4833 O O . SER C 122 ? 0.8183 0.5127 0.4685 0.0654 0.0554 0.0782 112 SER H O 4834 C CB . SER C 122 ? 1.0482 0.7401 0.7135 0.0601 0.0725 0.0756 112 SER H CB 4835 O OG . SER C 122 ? 1.1902 0.8993 0.8766 0.0459 0.0640 0.0772 112 SER H OG 4836 N N . SER C 123 ? 0.9133 0.6388 0.6091 0.0475 0.0674 0.0811 113 SER H N 4837 C CA . SER C 123 ? 0.9850 0.7204 0.6853 0.0428 0.0575 0.0838 113 SER H CA 4838 C C . SER C 123 ? 0.9319 0.6727 0.6367 0.0330 0.0435 0.0850 113 SER H C 4839 O O . SER C 123 ? 0.8986 0.6500 0.6117 0.0268 0.0363 0.0883 113 SER H O 4840 C CB . SER C 123 ? 1.0755 0.8271 0.7974 0.0369 0.0664 0.0853 113 SER H CB 4841 O OG . SER C 123 ? 1.0779 0.8392 0.8191 0.0289 0.0735 0.0840 113 SER H OG 4842 N N . ALA C 124 ? 1.0019 0.7340 0.7008 0.0322 0.0401 0.0828 114 ALA H N 4843 C CA . ALA C 124 ? 1.0135 0.7488 0.7181 0.0223 0.0279 0.0840 114 ALA H CA 4844 C C . ALA C 124 ? 1.1478 0.8675 0.8314 0.0258 0.0105 0.0834 114 ALA H C 4845 O O . ALA C 124 ? 1.2797 0.9862 0.9427 0.0371 0.0072 0.0815 114 ALA H O 4846 C CB . ALA C 124 ? 0.9424 0.6751 0.6518 0.0195 0.0318 0.0820 114 ALA H CB 4847 N N . SER C 125 ? 1.3101 1.0307 0.9994 0.0159 -0.0019 0.0849 115 SER H N 4848 C CA . SER C 125 ? 1.4960 1.1983 1.1665 0.0175 -0.0215 0.0831 115 SER H CA 4849 C C . SER C 125 ? 1.4171 1.1106 1.0882 0.0118 -0.0262 0.0812 115 SER H C 4850 O O . SER C 125 ? 1.5184 1.2178 1.1994 0.0106 -0.0133 0.0806 115 SER H O 4851 C CB . SER C 125 ? 1.7157 1.4255 1.3943 0.0091 -0.0361 0.0881 115 SER H CB 4852 O OG . SER C 125 ? 1.8304 1.5465 1.5265 -0.0052 -0.0449 0.0898 115 SER H OG 4853 N N . THR C 126 ? 1.0341 0.7134 0.6959 0.0081 -0.0461 0.0802 116 THR H N 4854 C CA . THR C 126 ? 0.8397 0.5073 0.5006 0.0032 -0.0525 0.0782 116 THR H CA 4855 C C . THR C 126 ? 0.7071 0.3948 0.3968 -0.0111 -0.0458 0.0832 116 THR H C 4856 O O . THR C 126 ? 0.6328 0.3361 0.3408 -0.0223 -0.0497 0.0887 116 THR H O 4857 C CB . THR C 126 ? 0.8438 0.4967 0.4974 0.0007 -0.0766 0.0740 116 THR H CB 4858 O OG1 . THR C 126 ? 0.8108 0.4451 0.4355 0.0154 -0.0845 0.0681 116 THR H OG1 4859 C CG2 . THR C 126 ? 0.8301 0.4679 0.4811 -0.0028 -0.0820 0.0711 116 THR H CG2 4860 N N . LYS C 127 ? 0.7405 0.4282 0.4339 -0.0097 -0.0356 0.0813 117 LYS H N 4861 C CA . LYS C 127 ? 0.7760 0.4828 0.4948 -0.0205 -0.0295 0.0849 117 LYS H CA 4862 C C . LYS C 127 ? 0.8697 0.5649 0.5860 -0.0201 -0.0312 0.0826 117 LYS H C 4863 O O . LYS C 127 ? 0.8695 0.5518 0.5716 -0.0094 -0.0246 0.0788 117 LYS H O 4864 C CB . LYS C 127 ? 0.7036 0.4319 0.4376 -0.0189 -0.0117 0.0861 117 LYS H CB 4865 C CG . LYS C 127 ? 0.7704 0.5180 0.5282 -0.0281 -0.0069 0.0888 117 LYS H CG 4866 C CD . LYS C 127 ? 0.6980 0.4627 0.4689 -0.0259 0.0079 0.0888 117 LYS H CD 4867 C CE . LYS C 127 ? 0.7619 0.5450 0.5536 -0.0345 0.0098 0.0911 117 LYS H CE 4868 N NZ . LYS C 127 ? 0.8035 0.5798 0.5961 -0.0369 0.0047 0.0912 117 LYS H NZ 4869 N N . GLY C 128 ? 0.8477 0.5475 0.5782 -0.0313 -0.0392 0.0855 118 GLY H N 4870 C CA . GLY C 128 ? 0.8860 0.5768 0.6169 -0.0314 -0.0410 0.0842 118 GLY H CA 4871 C C . GLY C 128 ? 0.9442 0.6510 0.6887 -0.0294 -0.0263 0.0852 118 GLY H C 4872 O O . GLY C 128 ? 1.0366 0.7652 0.7967 -0.0329 -0.0177 0.0878 118 GLY H O 4873 N N . PRO C 129 ? 0.8102 0.5047 0.5485 -0.0235 -0.0243 0.0832 119 PRO H N 4874 C CA . PRO C 129 ? 0.6900 0.3961 0.4403 -0.0210 -0.0122 0.0846 119 PRO H CA 4875 C C . PRO C 129 ? 0.7390 0.4607 0.5092 -0.0304 -0.0148 0.0886 119 PRO H C 4876 O O . PRO C 129 ? 0.7716 0.4897 0.5439 -0.0369 -0.0253 0.0899 119 PRO H O 4877 C CB . PRO C 129 ? 0.6816 0.3651 0.4156 -0.0105 -0.0111 0.0814 119 PRO H CB 4878 C CG . PRO C 129 ? 0.7381 0.4020 0.4594 -0.0122 -0.0264 0.0792 119 PRO H CG 4879 C CD . PRO C 129 ? 0.8330 0.4998 0.5519 -0.0182 -0.0342 0.0794 119 PRO H CD 4880 N N . SER C 130 ? 0.8006 0.5382 0.5843 -0.0309 -0.0055 0.0905 120 SER H N 4881 C CA . SER C 130 ? 0.7770 0.5258 0.5749 -0.0368 -0.0076 0.0939 120 SER H CA 4882 C C . SER C 130 ? 0.7785 0.5156 0.5739 -0.0306 -0.0057 0.0941 120 SER H C 4883 O O . SER C 130 ? 0.8363 0.5691 0.6290 -0.0235 0.0036 0.0929 120 SER H O 4884 C CB . SER C 130 ? 0.8551 0.6253 0.6667 -0.0409 -0.0006 0.0955 120 SER H CB 4885 O OG . SER C 130 ? 1.0785 0.8571 0.8903 -0.0429 0.0013 0.0947 120 SER H OG 4886 N N . VAL C 131 ? 0.6979 0.4294 0.4949 -0.0328 -0.0138 0.0961 121 VAL H N 4887 C CA . VAL C 131 ? 0.6480 0.3660 0.4421 -0.0258 -0.0135 0.0965 121 VAL H CA 4888 C C . VAL C 131 ? 0.7702 0.4984 0.5768 -0.0289 -0.0140 0.1010 121 VAL H C 4889 O O . VAL C 131 ? 0.8631 0.5990 0.6750 -0.0356 -0.0207 0.1038 121 VAL H O 4890 C CB . VAL C 131 ? 0.6292 0.3272 0.4126 -0.0234 -0.0233 0.0949 121 VAL H CB 4891 C CG1 . VAL C 131 ? 0.6384 0.3200 0.4164 -0.0128 -0.0208 0.0943 121 VAL H CG1 4892 C CG2 . VAL C 131 ? 0.6828 0.3689 0.4515 -0.0223 -0.0266 0.0905 121 VAL H CG2 4893 N N . PHE C 132 ? 0.8158 0.5424 0.6261 -0.0236 -0.0066 0.1019 122 PHE H N 4894 C CA . PHE C 132 ? 0.8539 0.5863 0.6739 -0.0259 -0.0087 0.1062 122 PHE H CA 4895 C C . PHE C 132 ? 0.8778 0.5947 0.6976 -0.0166 -0.0097 0.1074 122 PHE H C 4896 O O . PHE C 132 ? 1.0232 0.7315 0.8407 -0.0069 -0.0018 0.1039 122 PHE H O 4897 C CB . PHE C 132 ? 0.8598 0.6039 0.6879 -0.0290 0.0000 0.1065 122 PHE H CB 4898 C CG . PHE C 132 ? 0.8589 0.6189 0.6885 -0.0356 0.0024 0.1044 122 PHE H CG 4899 C CD1 . PHE C 132 ? 0.8081 0.5798 0.6393 -0.0427 -0.0046 0.1057 122 PHE H CD1 4900 C CD2 . PHE C 132 ? 0.8984 0.6611 0.7277 -0.0334 0.0127 0.1013 122 PHE H CD2 4901 C CE1 . PHE C 132 ? 0.7093 0.4945 0.5426 -0.0472 -0.0016 0.1039 122 PHE H CE1 4902 C CE2 . PHE C 132 ? 0.8282 0.6048 0.6595 -0.0382 0.0142 0.0996 122 PHE H CE2 4903 C CZ . PHE C 132 ? 0.6689 0.4566 0.5026 -0.0449 0.0071 0.1008 122 PHE H CZ 4904 N N . PRO C 133 ? 0.7492 0.4691 0.5759 -0.0177 -0.0187 0.1107 123 PRO H N 4905 C CA . PRO C 133 ? 0.7805 0.4949 0.6152 -0.0072 -0.0199 0.1099 123 PRO H CA 4906 C C . PRO C 133 ? 0.8334 0.5664 0.6920 -0.0021 -0.0116 0.1069 123 PRO H C 4907 O O . PRO C 133 ? 0.8487 0.6000 0.7194 -0.0085 -0.0118 0.1068 123 PRO H O 4908 C CB . PRO C 133 ? 0.7222 0.4336 0.5546 -0.0110 -0.0336 0.1155 123 PRO H CB 4909 C CG . PRO C 133 ? 0.6780 0.4038 0.5101 -0.0224 -0.0360 0.1183 123 PRO H CG 4910 C CD . PRO C 133 ? 0.7385 0.4675 0.5650 -0.0272 -0.0277 0.1151 123 PRO H CD 4911 N N . LEU C 134 ? 0.9334 0.6614 0.7992 0.0096 -0.0040 0.1042 124 LEU H N 4912 C CA . LEU C 134 ? 0.8896 0.6356 0.7836 0.0151 0.0029 0.1022 124 LEU H CA 4913 C C . LEU C 134 ? 0.9078 0.6529 0.8118 0.0219 -0.0070 0.1039 124 LEU H C 4914 O O . LEU C 134 ? 1.0760 0.8083 0.9781 0.0332 -0.0042 0.1033 124 LEU H O 4915 C CB . LEU C 134 ? 0.8104 0.5533 0.7088 0.0245 0.0203 0.0991 124 LEU H CB 4916 C CG . LEU C 134 ? 0.8389 0.5831 0.7290 0.0195 0.0313 0.0978 124 LEU H CG 4917 C CD1 . LEU C 134 ? 0.8222 0.5585 0.7109 0.0309 0.0490 0.0961 124 LEU H CD1 4918 C CD2 . LEU C 134 ? 0.7697 0.5369 0.6806 0.0098 0.0325 0.0973 124 LEU H CD2 4919 N N . ALA C 135 ? 0.6444 0.4023 0.5574 0.0160 -0.0189 0.1060 125 ALA H N 4920 C CA . ALA C 135 ? 0.5619 0.3165 0.4785 0.0215 -0.0317 0.1090 125 ALA H CA 4921 C C . ALA C 135 ? 0.5467 0.3139 0.4929 0.0327 -0.0288 0.1066 125 ALA H C 4922 O O . ALA C 135 ? 0.6383 0.4269 0.6104 0.0315 -0.0230 0.1033 125 ALA H O 4923 C CB . ALA C 135 ? 0.7141 0.4764 0.6262 0.0124 -0.0454 0.1125 125 ALA H CB 4924 N N . PRO C 136 ? 0.5749 0.3287 0.5189 0.0438 -0.0329 0.1084 126 PRO H N 4925 C CA . PRO C 136 ? 0.6243 0.3903 0.5979 0.0559 -0.0310 0.1068 126 PRO H CA 4926 C C . PRO C 136 ? 0.6865 0.4724 0.6801 0.0535 -0.0456 0.1077 126 PRO H C 4927 O O . PRO C 136 ? 0.7245 0.5030 0.7010 0.0495 -0.0606 0.1119 126 PRO H O 4928 C CB . PRO C 136 ? 0.6964 0.4377 0.6544 0.0674 -0.0341 0.1089 126 PRO H CB 4929 C CG . PRO C 136 ? 0.6087 0.3296 0.5342 0.0588 -0.0455 0.1131 126 PRO H CG 4930 C CD . PRO C 136 ? 0.6310 0.3570 0.5459 0.0454 -0.0399 0.1119 126 PRO H CD 4931 N N . SER C 137 ? 0.7947 0.6054 0.8244 0.0561 -0.0414 0.1040 127 SER H N 4932 C CA . SER C 137 ? 0.9378 0.7689 0.9887 0.0541 -0.0567 0.1032 127 SER H CA 4933 C C . SER C 137 ? 1.0726 0.9233 1.1657 0.0652 -0.0549 0.1006 127 SER H C 4934 O O . SER C 137 ? 1.0801 0.9247 1.1812 0.0765 -0.0433 0.1010 127 SER H O 4935 C CB . SER C 137 ? 0.8311 0.6774 0.8856 0.0404 -0.0572 0.0998 127 SER H CB 4936 O OG . SER C 137 ? 0.5879 0.4435 0.6600 0.0379 -0.0386 0.0959 127 SER H OG 4937 N N . SER C 138 ? 1.2829 1.1574 1.4035 0.0624 -0.0667 0.0976 128 SER H N 4938 C CA . SER C 138 ? 1.3817 1.2793 1.5489 0.0715 -0.0670 0.0947 128 SER H CA 4939 C C . SER C 138 ? 1.4269 1.3374 1.6234 0.0711 -0.0440 0.0914 128 SER H C 4940 O O . SER C 138 ? 1.4591 1.3837 1.6922 0.0811 -0.0362 0.0907 128 SER H O 4941 C CB . SER C 138 ? 1.4012 1.3208 1.5895 0.0669 -0.0872 0.0911 128 SER H CB 4942 O OG . SER C 138 ? 1.4476 1.3531 1.6017 0.0657 -0.1067 0.0948 128 SER H OG 4943 N N . LYS C 139 ? 1.4088 1.3142 1.5892 0.0599 -0.0326 0.0902 129 LYS H N 4944 C CA . LYS C 139 ? 1.3785 1.2934 1.5821 0.0585 -0.0100 0.0882 129 LYS H CA 4945 C C . LYS C 139 ? 1.3419 1.2342 1.5214 0.0668 0.0092 0.0915 129 LYS H C 4946 O O . LYS C 139 ? 1.3922 1.2897 1.5916 0.0723 0.0299 0.0915 129 LYS H O 4947 C CB . LYS C 139 ? 1.3429 1.2626 1.5408 0.0430 -0.0077 0.0851 129 LYS H CB 4948 C CG . LYS C 139 ? 1.2856 1.2146 1.4813 0.0338 -0.0306 0.0820 129 LYS H CG 4949 C CD . LYS C 139 ? 1.2616 1.2177 1.5019 0.0273 -0.0327 0.0757 129 LYS H CD 4950 C CE . LYS C 139 ? 1.2347 1.2118 1.5239 0.0370 -0.0337 0.0745 129 LYS H CE 4951 N NZ . LYS C 139 ? 1.1679 1.1718 1.5047 0.0294 -0.0360 0.0679 129 LYS H NZ 4952 N N . SER C 140 ? 1.1914 1.0579 1.3275 0.0680 0.0022 0.0943 130 SER H N 4953 C CA . SER C 140 ? 1.1793 1.0208 1.2865 0.0754 0.0167 0.0962 130 SER H CA 4954 C C . SER C 140 ? 1.2245 1.0569 1.3361 0.0923 0.0181 0.0978 130 SER H C 4955 O O . SER C 140 ? 1.1929 1.0027 1.2802 0.1009 0.0290 0.0985 130 SER H O 4956 C CB . SER C 140 ? 1.1897 1.0074 1.2504 0.0673 0.0084 0.0979 130 SER H CB 4957 O OG . SER C 140 ? 1.1874 1.0136 1.2439 0.0528 0.0074 0.0965 130 SER H OG 4958 N N . THR C 141 ? 1.3068 1.1562 1.4486 0.0979 0.0064 0.0979 131 THR H N 4959 C CA . THR C 141 ? 1.2549 1.0977 1.4048 0.1151 0.0070 0.0994 131 THR H CA 4960 C C . THR C 141 ? 1.2430 1.1119 1.4438 0.1246 0.0206 0.0982 131 THR H C 4961 O O . THR C 141 ? 1.2193 1.1171 1.4586 0.1178 0.0170 0.0962 131 THR H O 4962 C CB . THR C 141 ? 1.2457 1.0835 1.3878 0.1178 -0.0176 0.1018 131 THR H CB 4963 O OG1 . THR C 141 ? 1.2773 1.1080 1.4282 0.1357 -0.0161 0.1032 131 THR H OG1 4964 C CG2 . THR C 141 ? 1.2461 1.1126 1.4192 0.1106 -0.0339 0.1004 131 THR H CG2 4965 N N . SER C 142 ? 1.4808 1.3388 1.6818 0.1405 0.0365 0.0992 132 SER H N 4966 C CA . SER C 142 ? 1.5269 1.4085 1.7765 0.1517 0.0519 0.0991 132 SER H CA 4967 C C . SER C 142 ? 1.4853 1.3575 1.7378 0.1714 0.0506 0.1006 132 SER H C 4968 O O . SER C 142 ? 1.5629 1.4114 1.7909 0.1838 0.0657 0.1011 132 SER H O 4969 C CB . SER C 142 ? 1.5566 1.4365 1.8076 0.1530 0.0813 0.0994 132 SER H CB 4970 O OG . SER C 142 ? 1.5378 1.4379 1.8344 0.1656 0.0992 0.1006 132 SER H OG 4971 N N . GLY C 143 ? 1.1628 1.0525 1.4438 0.1751 0.0318 0.1009 133 GLY H N 4972 C CA . GLY C 143 ? 1.1742 1.0558 1.4596 0.1941 0.0277 0.1026 133 GLY H CA 4973 C C . GLY C 143 ? 1.2015 1.0426 1.4304 0.1976 0.0180 0.1039 133 GLY H C 4974 O O . GLY C 143 ? 1.1763 1.0074 1.3803 0.1872 -0.0030 0.1051 133 GLY H O 4975 N N . GLY C 144 ? 1.2628 1.0796 1.4712 0.2124 0.0337 0.1037 134 GLY H N 4976 C CA . GLY C 144 ? 1.2766 1.0530 1.4342 0.2168 0.0251 0.1042 134 GLY H CA 4977 C C . GLY C 144 ? 1.2113 0.9636 1.3225 0.2026 0.0265 0.1029 134 GLY H C 4978 O O . GLY C 144 ? 1.1612 0.8863 1.2348 0.1980 0.0116 0.1038 134 GLY H O 4979 N N . THR C 145 ? 1.2878 1.0499 1.4030 0.1956 0.0443 0.1012 135 THR H N 4980 C CA . THR C 145 ? 1.2428 0.9833 1.3159 0.1837 0.0470 0.0997 135 THR H CA 4981 C C . THR C 145 ? 1.1171 0.8758 1.1952 0.1625 0.0371 0.1004 135 THR H C 4982 O O . THR C 145 ? 1.0682 0.8576 1.1831 0.1567 0.0423 0.1003 135 THR H O 4983 C CB . THR C 145 ? 1.2262 0.9584 1.2897 0.1913 0.0738 0.0976 135 THR H CB 4984 O OG1 . THR C 145 ? 1.2583 1.0241 1.3660 0.1898 0.0898 0.0987 135 THR H OG1 4985 C CG2 . THR C 145 ? 1.1514 0.8600 1.2010 0.2133 0.0839 0.0962 135 THR H CG2 4986 N N . ALA C 146 ? 0.9111 0.6500 0.9524 0.1510 0.0229 0.1010 136 ALA H N 4987 C CA . ALA C 146 ? 0.7428 0.4937 0.7809 0.1317 0.0150 0.1015 136 ALA H CA 4988 C C . ALA C 146 ? 0.8044 0.5338 0.8048 0.1246 0.0226 0.1000 136 ALA H C 4989 O O . ALA C 146 ? 0.9745 0.6739 0.9417 0.1299 0.0209 0.0993 136 ALA H O 4990 C CB . ALA C 146 ? 0.6606 0.4110 0.6921 0.1241 -0.0090 0.1046 136 ALA H CB 4991 N N . ALA C 147 ? 0.7554 0.4995 0.7613 0.1127 0.0299 0.0992 137 ALA H N 4992 C CA . ALA C 147 ? 0.7547 0.4806 0.7275 0.1073 0.0377 0.0977 137 ALA H CA 4993 C C . ALA C 147 ? 0.7600 0.4862 0.7161 0.0896 0.0243 0.0989 137 ALA H C 4994 O O . ALA C 147 ? 0.7556 0.5029 0.7308 0.0798 0.0154 0.1001 137 ALA H O 4995 C CB . ALA C 147 ? 0.8535 0.5902 0.8398 0.1103 0.0606 0.0964 137 ALA H CB 4996 N N . LEU C 148 ? 0.7736 0.4758 0.6938 0.0862 0.0229 0.0981 138 LEU H N 4997 C CA . LEU C 148 ? 0.7529 0.4538 0.6561 0.0703 0.0123 0.0995 138 LEU H CA 4998 C C . LEU C 148 ? 0.8335 0.5175 0.7091 0.0689 0.0207 0.0971 138 LEU H C 4999 O O . LEU C 148 ? 0.8280 0.4957 0.6910 0.0809 0.0313 0.0944 138 LEU H O 5000 C CB . LEU C 148 ? 0.7137 0.3999 0.6015 0.0667 -0.0066 0.1027 138 LEU H CB 5001 C CG . LEU C 148 ? 0.7186 0.3722 0.5788 0.0747 -0.0096 0.1015 138 LEU H CG 5002 C CD1 . LEU C 148 ? 0.8167 0.4550 0.6542 0.0627 -0.0245 0.1045 138 LEU H CD1 5003 C CD2 . LEU C 148 ? 0.6975 0.3443 0.5675 0.0892 -0.0121 0.1019 138 LEU H CD2 5004 N N . GLY C 149 ? 0.8456 0.5331 0.7108 0.0552 0.0160 0.0980 139 GLY H N 5005 C CA . GLY C 149 ? 0.8422 0.5158 0.6828 0.0537 0.0223 0.0957 139 GLY H CA 5006 C C . GLY C 149 ? 0.8064 0.4819 0.6349 0.0387 0.0132 0.0973 139 GLY H C 5007 O O . GLY C 149 ? 0.8438 0.5283 0.6788 0.0290 0.0015 0.1006 139 GLY H O 5008 N N . CYS C 150 ? 0.8186 0.4851 0.6286 0.0378 0.0191 0.0951 140 CYS H N 5009 C CA . CYS C 150 ? 0.7704 0.4387 0.5695 0.0250 0.0121 0.0963 140 CYS H CA 5010 C C . CYS C 150 ? 0.8440 0.5207 0.6421 0.0239 0.0248 0.0949 140 CYS H C 5011 O O . CYS C 150 ? 0.9744 0.6406 0.7620 0.0342 0.0363 0.0923 140 CYS H O 5012 C CB . CYS C 150 ? 0.6921 0.3372 0.4665 0.0242 0.0009 0.0945 140 CYS H CB 5013 S SG . CYS C 150 ? 1.8368 1.4792 1.6157 0.0181 -0.0166 0.0971 140 CYS H SG 5014 N N . LEU C 151 ? 0.7094 0.4036 0.5168 0.0122 0.0232 0.0969 141 LEU H N 5015 C CA . LEU C 151 ? 0.6094 0.3106 0.4153 0.0102 0.0341 0.0961 141 LEU H CA 5016 C C . LEU C 151 ? 0.6209 0.3183 0.4097 0.0046 0.0264 0.0943 141 LEU H C 5017 O O . LEU C 151 ? 0.7182 0.4273 0.5123 -0.0061 0.0161 0.0953 141 LEU H O 5018 C CB . LEU C 151 ? 0.5669 0.2924 0.3963 0.0017 0.0373 0.0974 141 LEU H CB 5019 C CG . LEU C 151 ? 0.6041 0.3367 0.4339 -0.0009 0.0486 0.0968 141 LEU H CG 5020 C CD1 . LEU C 151 ? 0.5556 0.2795 0.3822 0.0109 0.0651 0.0957 141 LEU H CD1 5021 C CD2 . LEU C 151 ? 0.4326 0.1871 0.2856 -0.0094 0.0498 0.0970 141 LEU H CD2 5022 N N . VAL C 152 ? 0.5757 0.2612 0.3477 0.0127 0.0313 0.0904 142 VAL H N 5023 C CA . VAL C 152 ? 0.5796 0.2640 0.3388 0.0088 0.0235 0.0871 142 VAL H CA 5024 C C . VAL C 152 ? 0.5640 0.2622 0.3272 0.0069 0.0327 0.0868 142 VAL H C 5025 O O . VAL C 152 ? 0.5692 0.2604 0.3226 0.0162 0.0442 0.0851 142 VAL H O 5026 C CB . VAL C 152 ? 0.6307 0.2898 0.3644 0.0195 0.0207 0.0825 142 VAL H CB 5027 C CG1 . VAL C 152 ? 0.5308 0.1864 0.2519 0.0148 0.0098 0.0795 142 VAL H CG1 5028 C CG2 . VAL C 152 ? 0.6105 0.2551 0.3416 0.0226 0.0127 0.0823 142 VAL H CG2 5029 N N . LYS C 153 ? 0.5657 0.2834 0.3429 -0.0043 0.0283 0.0885 143 LYS H N 5030 C CA . LYS C 153 ? 0.6053 0.3381 0.3911 -0.0066 0.0371 0.0885 143 LYS H CA 5031 C C . LYS C 153 ? 0.6548 0.3932 0.4351 -0.0105 0.0311 0.0869 143 LYS H C 5032 O O . LYS C 153 ? 0.7037 0.4433 0.4833 -0.0167 0.0194 0.0875 143 LYS H O 5033 C CB . LYS C 153 ? 0.5522 0.3021 0.3587 -0.0147 0.0390 0.0914 143 LYS H CB 5034 C CG . LYS C 153 ? 0.6975 0.4597 0.5143 -0.0157 0.0502 0.0908 143 LYS H CG 5035 C CD . LYS C 153 ? 0.7751 0.5513 0.6088 -0.0246 0.0493 0.0928 143 LYS H CD 5036 C CE . LYS C 153 ? 0.6750 0.4611 0.5192 -0.0259 0.0600 0.0913 143 LYS H CE 5037 N NZ . LYS C 153 ? 0.5999 0.3792 0.4499 -0.0187 0.0746 0.0913 143 LYS H NZ 5038 N N . ASP C 154 ? 0.7256 0.4670 0.5031 -0.0065 0.0400 0.0854 144 ASP H N 5039 C CA . ASP C 154 ? 0.7128 0.4613 0.4879 -0.0094 0.0362 0.0847 144 ASP H CA 5040 C C . ASP C 154 ? 0.7814 0.5164 0.5395 -0.0086 0.0240 0.0835 144 ASP H C 5041 O O . ASP C 154 ? 0.8688 0.6106 0.6330 -0.0171 0.0139 0.0852 144 ASP H O 5042 C CB . ASP C 154 ? 0.7209 0.4910 0.5153 -0.0198 0.0339 0.0869 144 ASP H CB 5043 C CG . ASP C 154 ? 0.8555 0.6365 0.6649 -0.0211 0.0441 0.0873 144 ASP H CG 5044 O OD1 . ASP C 154 ? 0.8269 0.6017 0.6342 -0.0143 0.0550 0.0861 144 ASP H OD1 5045 O OD2 . ASP C 154 ? 0.9621 0.7564 0.7845 -0.0287 0.0416 0.0889 144 ASP H OD2 5046 N N . TYR C 155 ? 0.7862 0.5007 0.5223 0.0018 0.0251 0.0806 145 TYR H N 5047 C CA . TYR C 155 ? 0.8181 0.5158 0.5343 0.0037 0.0121 0.0785 145 TYR H CA 5048 C C . TYR C 155 ? 0.8695 0.5558 0.5652 0.0148 0.0167 0.0758 145 TYR H C 5049 O O . TYR C 155 ? 0.8463 0.5346 0.5419 0.0221 0.0313 0.0755 145 TYR H O 5050 C CB . TYR C 155 ? 0.8567 0.5337 0.5599 0.0067 0.0040 0.0764 145 TYR H CB 5051 C CG . TYR C 155 ? 0.8070 0.4665 0.4933 0.0205 0.0141 0.0736 145 TYR H CG 5052 C CD1 . TYR C 155 ? 0.7906 0.4260 0.4469 0.0324 0.0114 0.0691 145 TYR H CD1 5053 C CD2 . TYR C 155 ? 0.8414 0.5074 0.5407 0.0225 0.0263 0.0757 145 TYR H CD2 5054 C CE1 . TYR C 155 ? 0.9410 0.5599 0.5801 0.0464 0.0226 0.0668 145 TYR H CE1 5055 C CE2 . TYR C 155 ? 0.8069 0.4571 0.4920 0.0358 0.0376 0.0742 145 TYR H CE2 5056 C CZ . TYR C 155 ? 0.9114 0.5383 0.5660 0.0480 0.0366 0.0698 145 TYR H CZ 5057 O OH . TYR C 155 ? 1.0092 0.6196 0.6475 0.0626 0.0496 0.0685 145 TYR H OH 5058 N N . PHE C 156 ? 0.9216 0.5951 0.6001 0.0162 0.0036 0.0740 146 PHE H N 5059 C CA . PHE C 156 ? 0.8478 0.5089 0.5038 0.0278 0.0050 0.0711 146 PHE H CA 5060 C C . PHE C 156 ? 0.9707 0.6125 0.6056 0.0291 -0.0149 0.0682 146 PHE H C 5061 O O . PHE C 156 ? 1.0805 0.7285 0.7266 0.0177 -0.0284 0.0707 146 PHE H O 5062 C CB . PHE C 156 ? 0.7342 0.4148 0.4038 0.0258 0.0129 0.0740 146 PHE H CB 5063 C CG . PHE C 156 ? 0.8311 0.5014 0.4812 0.0392 0.0199 0.0717 146 PHE H CG 5064 C CD1 . PHE C 156 ? 0.8638 0.5234 0.4949 0.0443 0.0077 0.0701 146 PHE H CD1 5065 C CD2 . PHE C 156 ? 0.8700 0.5411 0.5213 0.0468 0.0381 0.0715 146 PHE H CD2 5066 C CE1 . PHE C 156 ? 0.7712 0.4210 0.3836 0.0576 0.0137 0.0680 146 PHE H CE1 5067 C CE2 . PHE C 156 ? 0.8263 0.4870 0.4597 0.0594 0.0454 0.0700 146 PHE H CE2 5068 C CZ . PHE C 156 ? 0.7700 0.4200 0.3831 0.0651 0.0333 0.0681 146 PHE H CZ 5069 N N . PRO C 157 ? 1.0030 0.6204 0.6071 0.0432 -0.0176 0.0628 147 PRO H N 5070 C CA . PRO C 157 ? 1.0142 0.6225 0.6043 0.0570 -0.0001 0.0606 147 PRO H CA 5071 C C . PRO C 157 ? 1.1121 0.7005 0.6883 0.0625 -0.0007 0.0573 147 PRO H C 5072 O O . PRO C 157 ? 1.1681 0.7540 0.7519 0.0536 -0.0128 0.0575 147 PRO H O 5073 C CB . PRO C 157 ? 1.0371 0.6289 0.5984 0.0700 -0.0049 0.0564 147 PRO H CB 5074 C CG . PRO C 157 ? 1.0508 0.6286 0.5999 0.0661 -0.0304 0.0529 147 PRO H CG 5075 C CD . PRO C 157 ? 1.0331 0.6307 0.6135 0.0474 -0.0379 0.0584 147 PRO H CD 5076 N N . GLU C 158 ? 1.0443 0.6179 0.6005 0.0775 0.0129 0.0548 148 GLU H N 5077 C CA . GLU C 158 ? 1.0041 0.5541 0.5402 0.0866 0.0129 0.0511 148 GLU H CA 5078 C C . GLU C 158 ? 1.0629 0.5862 0.5705 0.0901 -0.0103 0.0441 148 GLU H C 5079 O O . GLU C 158 ? 1.1497 0.6703 0.6473 0.0905 -0.0223 0.0418 148 GLU H O 5080 C CB . GLU C 158 ? 1.1047 0.6434 0.6224 0.1037 0.0338 0.0504 148 GLU H CB 5081 C CG . GLU C 158 ? 1.1966 0.7588 0.7434 0.1004 0.0560 0.0569 148 GLU H CG 5082 C CD . GLU C 158 ? 1.3878 0.9456 0.9393 0.1051 0.0687 0.0588 148 GLU H CD 5083 O OE1 . GLU C 158 ? 1.3747 0.9303 0.9331 0.0987 0.0579 0.0584 148 GLU H OE1 5084 O OE2 . GLU C 158 ? 1.4238 0.9797 0.9731 0.1156 0.0897 0.0611 148 GLU H OE2 5085 N N . PRO C 159 ? 1.0607 0.5636 0.5559 0.0931 -0.0177 0.0404 149 PRO H N 5086 C CA . PRO C 159 ? 1.0855 0.5894 0.5914 0.0943 -0.0056 0.0427 149 PRO H CA 5087 C C . PRO C 159 ? 1.1135 0.6322 0.6505 0.0770 -0.0158 0.0463 149 PRO H C 5088 O O . PRO C 159 ? 1.2035 0.7295 0.7519 0.0641 -0.0319 0.0471 149 PRO H O 5089 C CB . PRO C 159 ? 1.1778 0.6453 0.6453 0.1099 -0.0116 0.0348 149 PRO H CB 5090 C CG . PRO C 159 ? 1.2283 0.6791 0.6792 0.1063 -0.0384 0.0287 149 PRO H CG 5091 C CD . PRO C 159 ? 1.2016 0.6740 0.6662 0.0984 -0.0406 0.0322 149 PRO H CD 5092 N N . VAL C 160 ? 0.9554 0.4782 0.5061 0.0775 -0.0059 0.0487 150 VAL H N 5093 C CA . VAL C 160 ? 0.8636 0.3969 0.4402 0.0638 -0.0151 0.0515 150 VAL H CA 5094 C C . VAL C 160 ? 1.0097 0.5247 0.5775 0.0732 -0.0128 0.0487 150 VAL H C 5095 O O . VAL C 160 ? 1.1026 0.6132 0.6627 0.0864 0.0045 0.0491 150 VAL H O 5096 C CB . VAL C 160 ? 0.8530 0.4208 0.4663 0.0515 -0.0049 0.0593 150 VAL H CB 5097 C CG1 . VAL C 160 ? 0.8648 0.4391 0.4971 0.0502 0.0009 0.0626 150 VAL H CG1 5098 C CG2 . VAL C 160 ? 0.9169 0.5008 0.5475 0.0351 -0.0184 0.0619 150 VAL H CG2 5099 N N . THR C 161 ? 1.0162 0.5199 0.5854 0.0669 -0.0299 0.0460 151 THR H N 5100 C CA . THR C 161 ? 0.9985 0.4830 0.5582 0.0763 -0.0300 0.0422 151 THR H CA 5101 C C . THR C 161 ? 0.9860 0.4876 0.5777 0.0659 -0.0307 0.0477 151 THR H C 5102 O O . THR C 161 ? 1.0383 0.5521 0.6490 0.0502 -0.0427 0.0508 151 THR H O 5103 C CB . THR C 161 ? 1.1571 0.6099 0.6896 0.0797 -0.0500 0.0330 151 THR H CB 5104 O OG1 . THR C 161 ? 1.3964 0.8499 0.9476 0.0675 -0.0641 0.0337 151 THR H OG1 5105 C CG2 . THR C 161 ? 1.1216 0.5679 0.6389 0.0763 -0.0628 0.0300 151 THR H CG2 5106 N N . VAL C 162 ? 0.9599 0.4624 0.5574 0.0754 -0.0172 0.0495 152 VAL H N 5107 C CA . VAL C 162 ? 0.9505 0.4683 0.5768 0.0681 -0.0175 0.0551 152 VAL H CA 5108 C C . VAL C 162 ? 1.0525 0.5507 0.6715 0.0781 -0.0201 0.0514 152 VAL H C 5109 O O . VAL C 162 ? 1.0858 0.5711 0.6900 0.0947 -0.0081 0.0484 152 VAL H O 5110 C CB . VAL C 162 ? 0.8247 0.3666 0.4737 0.0686 0.0003 0.0623 152 VAL H CB 5111 C CG1 . VAL C 162 ? 0.7460 0.2981 0.4197 0.0651 -0.0009 0.0673 152 VAL H CG1 5112 C CG2 . VAL C 162 ? 0.7574 0.3219 0.4187 0.0564 0.0017 0.0662 152 VAL H CG2 5113 N N . SER C 163 ? 1.0703 0.5669 0.7000 0.0684 -0.0350 0.0519 153 SER H N 5114 C CA . SER C 163 ? 1.1542 0.6352 0.7820 0.0763 -0.0381 0.0495 153 SER H CA 5115 C C . SER C 163 ? 1.1271 0.6272 0.7852 0.0684 -0.0388 0.0575 153 SER H C 5116 O O . SER C 163 ? 1.1477 0.6696 0.8249 0.0542 -0.0416 0.0638 153 SER H O 5117 C CB . SER C 163 ? 1.2571 0.7135 0.8671 0.0735 -0.0565 0.0422 153 SER H CB 5118 O OG . SER C 163 ? 1.2544 0.7217 0.8814 0.0548 -0.0701 0.0462 153 SER H OG 5119 N N . TRP C 164 ? 1.1376 0.6292 0.7989 0.0785 -0.0362 0.0574 154 TRP H N 5120 C CA . TRP C 164 ? 1.0905 0.5962 0.7773 0.0733 -0.0388 0.0648 154 TRP H CA 5121 C C . TRP C 164 ? 1.0814 0.5705 0.7654 0.0718 -0.0523 0.0629 154 TRP H C 5122 O O . TRP C 164 ? 1.1732 0.6397 0.8409 0.0841 -0.0528 0.0563 154 TRP H O 5123 C CB . TRP C 164 ? 1.0403 0.5534 0.7394 0.0867 -0.0238 0.0681 154 TRP H CB 5124 C CG . TRP C 164 ? 1.0543 0.5894 0.7667 0.0835 -0.0119 0.0732 154 TRP H CG 5125 C CD1 . TRP C 164 ? 1.0693 0.6050 0.7726 0.0910 0.0030 0.0712 154 TRP H CD1 5126 C CD2 . TRP C 164 ? 1.1094 0.6678 0.8455 0.0721 -0.0135 0.0812 154 TRP H CD2 5127 N NE1 . TRP C 164 ? 1.0702 0.6285 0.7925 0.0843 0.0110 0.0775 154 TRP H NE1 5128 C CE2 . TRP C 164 ? 1.1192 0.6912 0.8609 0.0727 0.0005 0.0832 154 TRP H CE2 5129 C CE3 . TRP C 164 ? 1.0492 0.6177 0.8008 0.0619 -0.0251 0.0868 154 TRP H CE3 5130 C CZ2 . TRP C 164 ? 1.0893 0.6860 0.8530 0.0626 0.0021 0.0892 154 TRP H CZ2 5131 C CZ3 . TRP C 164 ? 0.9605 0.5507 0.7298 0.0532 -0.0237 0.0935 154 TRP H CZ3 5132 C CH2 . TRP C 164 ? 1.0131 0.6174 0.7887 0.0533 -0.0107 0.0940 154 TRP H CH2 5133 N N . ASN C 165 ? 0.8422 0.3426 0.5419 0.0571 -0.0623 0.0688 155 ASN H N 5134 C CA . ASN C 165 ? 0.7786 0.2648 0.4779 0.0531 -0.0748 0.0685 155 ASN H CA 5135 C C . ASN C 165 ? 0.8653 0.3248 0.5414 0.0540 -0.0840 0.0592 155 ASN H C 5136 O O . ASN C 165 ? 0.9190 0.3567 0.5856 0.0613 -0.0893 0.0548 155 ASN H O 5137 C CB . ASN C 165 ? 0.9009 0.3815 0.6075 0.0648 -0.0722 0.0709 155 ASN H CB 5138 C CG . ASN C 165 ? 0.8942 0.3990 0.6241 0.0626 -0.0676 0.0804 155 ASN H CG 5139 O OD1 . ASN C 165 ? 0.8553 0.3796 0.5962 0.0491 -0.0697 0.0862 155 ASN H OD1 5140 N ND2 . ASN C 165 ? 0.8550 0.3585 0.5922 0.0766 -0.0619 0.0819 155 ASN H ND2 5141 N N . SER C 166 ? 1.0176 0.4787 0.6847 0.0471 -0.0866 0.0560 156 SER H N 5142 C CA . SER C 166 ? 1.1253 0.5618 0.7706 0.0463 -0.0984 0.0472 156 SER H CA 5143 C C . SER C 166 ? 1.2681 0.6773 0.8868 0.0649 -0.0960 0.0374 156 SER H C 5144 O O . SER C 166 ? 1.3422 0.7262 0.9435 0.0663 -0.1080 0.0297 156 SER H O 5145 C CB . SER C 166 ? 1.0566 0.4865 0.7112 0.0327 -0.1133 0.0492 156 SER H CB 5146 O OG . SER C 166 ? 0.9691 0.4241 0.6456 0.0164 -0.1142 0.0580 156 SER H OG 5147 N N . GLY C 167 ? 1.2393 0.6540 0.8554 0.0793 -0.0800 0.0378 157 GLY H N 5148 C CA . GLY C 167 ? 1.2171 0.6091 0.8075 0.0986 -0.0737 0.0292 157 GLY H CA 5149 C C . GLY C 167 ? 1.1226 0.5076 0.7193 0.1099 -0.0693 0.0299 157 GLY H C 5150 O O . GLY C 167 ? 1.0999 0.4686 0.6779 0.1273 -0.0616 0.0236 157 GLY H O 5151 N N . ALA C 168 ? 1.1092 0.5067 0.7315 0.1008 -0.0739 0.0377 158 ALA H N 5152 C CA . ALA C 168 ? 1.1804 0.5723 0.8113 0.1111 -0.0712 0.0393 158 ALA H CA 5153 C C . ALA C 168 ? 1.2415 0.6481 0.8836 0.1252 -0.0532 0.0429 158 ALA H C 5154 O O . ALA C 168 ? 1.2664 0.6650 0.9095 0.1398 -0.0474 0.0416 158 ALA H O 5155 C CB . ALA C 168 ? 1.1102 0.5112 0.7637 0.0978 -0.0813 0.0476 158 ALA H CB 5156 N N . LEU C 169 ? 1.2236 0.6520 0.8756 0.1208 -0.0442 0.0475 159 LEU H N 5157 C CA . LEU C 169 ? 1.1450 0.5891 0.8115 0.1325 -0.0268 0.0517 159 LEU H CA 5158 C C . LEU C 169 ? 1.1899 0.6302 0.8374 0.1432 -0.0118 0.0468 159 LEU H C 5159 O O . LEU C 169 ? 1.0903 0.5358 0.7296 0.1348 -0.0118 0.0464 159 LEU H O 5160 C CB . LEU C 169 ? 1.0418 0.5141 0.7367 0.1205 -0.0264 0.0618 159 LEU H CB 5161 C CG . LEU C 169 ? 0.9333 0.4228 0.6504 0.1311 -0.0114 0.0673 159 LEU H CG 5162 C CD1 . LEU C 169 ? 0.9165 0.3967 0.6397 0.1474 -0.0085 0.0662 159 LEU H CD1 5163 C CD2 . LEU C 169 ? 0.8490 0.3621 0.5909 0.1180 -0.0162 0.0766 159 LEU H CD2 5164 N N . THR C 170 ? 1.2725 0.7041 0.9130 0.1622 0.0017 0.0434 160 THR H N 5165 C CA . THR C 170 ? 1.2473 0.6732 0.8666 0.1747 0.0181 0.0392 160 THR H CA 5166 C C . THR C 170 ? 1.1973 0.6423 0.8391 0.1864 0.0406 0.0450 160 THR H C 5167 O O . THR C 170 ? 1.1772 0.6348 0.8215 0.1865 0.0546 0.0481 160 THR H O 5168 C CB . THR C 170 ? 1.4234 0.8197 1.0088 0.1887 0.0168 0.0292 160 THR H CB 5169 O OG1 . THR C 170 ? 1.4719 0.8494 1.0376 0.1777 -0.0046 0.0232 160 THR H OG1 5170 C CG2 . THR C 170 ? 1.4921 0.8824 1.0525 0.2029 0.0350 0.0259 160 THR H CG2 5171 N N . SER C 171 ? 1.1593 0.6067 0.8194 0.1964 0.0440 0.0468 161 SER H N 5172 C CA . SER C 171 ? 1.1768 0.6429 0.8630 0.2090 0.0651 0.0520 161 SER H CA 5173 C C . SER C 171 ? 1.1714 0.6655 0.8911 0.1985 0.0690 0.0611 161 SER H C 5174 O O . SER C 171 ? 1.2281 0.7297 0.9617 0.1844 0.0527 0.0652 161 SER H O 5175 C CB . SER C 171 ? 1.3138 0.7772 1.0151 0.2211 0.0643 0.0518 161 SER H CB 5176 O OG . SER C 171 ? 1.4076 0.8966 1.1480 0.2275 0.0780 0.0591 161 SER H OG 5177 N N . GLY C 172 ? 1.1168 0.6262 0.8494 0.2054 0.0912 0.0645 162 GLY H N 5178 C CA . GLY C 172 ? 1.0959 0.6320 0.8638 0.1975 0.0976 0.0729 162 GLY H CA 5179 C C . GLY C 172 ? 1.0631 0.6047 0.8220 0.1807 0.0932 0.0744 162 GLY H C 5180 O O . GLY C 172 ? 0.9962 0.5687 0.7857 0.1690 0.0968 0.0791 162 GLY H O 5181 N N . VAL C 173 ? 1.0756 0.5970 0.7975 0.1761 0.0834 0.0685 163 VAL H N 5182 C CA . VAL C 173 ? 1.0707 0.5964 0.7831 0.1605 0.0772 0.0696 163 VAL H CA 5183 C C . VAL C 173 ? 1.0791 0.6080 0.7824 0.1660 0.0978 0.0703 163 VAL H C 5184 O O . VAL C 173 ? 1.1438 0.6568 0.8208 0.1795 0.1080 0.0655 163 VAL H O 5185 C CB . VAL C 173 ? 1.0348 0.5413 0.7173 0.1516 0.0558 0.0630 163 VAL H CB 5186 C CG1 . VAL C 173 ? 0.9694 0.4836 0.6455 0.1363 0.0502 0.0642 163 VAL H CG1 5187 C CG2 . VAL C 173 ? 1.0266 0.5311 0.7202 0.1442 0.0365 0.0638 163 VAL H CG2 5188 N N . HIS C 174 ? 1.0958 0.6487 0.8217 0.1544 0.1033 0.0759 164 HIS H N 5189 C CA . HIS C 174 ? 1.1720 0.7291 0.8911 0.1570 0.1218 0.0777 164 HIS H CA 5190 C C . HIS C 174 ? 1.0767 0.6418 0.7906 0.1396 0.1114 0.0785 164 HIS H C 5191 O O . HIS C 174 ? 1.0077 0.6002 0.7521 0.1256 0.1097 0.0826 164 HIS H O 5192 C CB . HIS C 174 ? 1.1847 0.7699 0.9439 0.1599 0.1431 0.0833 164 HIS H CB 5193 C CG . HIS C 174 ? 1.2046 0.7820 0.9669 0.1801 0.1608 0.0832 164 HIS H CG 5194 N ND1 . HIS C 174 ? 1.2194 0.8224 1.0263 0.1830 0.1716 0.0872 164 HIS H ND1 5195 C CD2 . HIS C 174 ? 1.2937 0.8436 1.0213 0.1981 0.1690 0.0791 164 HIS H CD2 5196 C CE1 . HIS C 174 ? 1.3468 0.9368 1.1473 0.2031 0.1876 0.0866 164 HIS H CE1 5197 N NE2 . HIS C 174 ? 1.3965 0.9555 1.1476 0.2118 0.1860 0.0813 164 HIS H NE2 5198 N N . THR C 175 ? 1.0004 0.5440 0.6767 0.1406 0.1036 0.0737 165 THR H N 5199 C CA . THR C 175 ? 0.9797 0.5308 0.6500 0.1265 0.0956 0.0742 165 THR H CA 5200 C C . THR C 175 ? 0.9472 0.5023 0.6118 0.1323 0.1164 0.0770 165 THR H C 5201 O O . THR C 175 ? 1.0636 0.6007 0.6995 0.1468 0.1267 0.0738 165 THR H O 5202 C CB . THR C 175 ? 1.0530 0.5856 0.6921 0.1229 0.0751 0.0666 165 THR H CB 5203 O OG1 . THR C 175 ? 0.7013 0.2292 0.3468 0.1173 0.0570 0.0646 165 THR H OG1 5204 C CG2 . THR C 175 ? 0.6808 0.2253 0.3198 0.1083 0.0667 0.0675 165 THR H CG2 5205 N N . PHE C 176 ? 0.8057 0.3835 0.4964 0.1210 0.1224 0.0829 166 PHE H N 5206 C CA . PHE C 176 ? 0.7383 0.3229 0.4309 0.1249 0.1437 0.0868 166 PHE H CA 5207 C C . PHE C 176 ? 0.8743 0.4515 0.5368 0.1236 0.1392 0.0830 166 PHE H C 5208 O O . PHE C 176 ? 0.9022 0.4785 0.5548 0.1136 0.1184 0.0787 166 PHE H O 5209 C CB . PHE C 176 ? 0.6295 0.2457 0.3652 0.1112 0.1492 0.0921 166 PHE H CB 5210 C CG . PHE C 176 ? 0.7407 0.3743 0.5135 0.1136 0.1575 0.0941 166 PHE H CG 5211 C CD1 . PHE C 176 ? 0.8511 0.4969 0.6452 0.1056 0.1406 0.0926 166 PHE H CD1 5212 C CD2 . PHE C 176 ? 0.8763 0.5142 0.6637 0.1245 0.1825 0.0979 166 PHE H CD2 5213 C CE1 . PHE C 176 ? 0.8238 0.4863 0.6530 0.1087 0.1467 0.0943 166 PHE H CE1 5214 C CE2 . PHE C 176 ? 0.8669 0.5231 0.6926 0.1268 0.1896 0.0996 166 PHE H CE2 5215 C CZ . PHE C 176 ? 0.7891 0.4579 0.6358 0.1192 0.1708 0.0974 166 PHE H CZ 5216 N N . PRO C 177 ? 0.9901 0.5618 0.6391 0.1343 0.1593 0.0848 167 PRO H N 5217 C CA . PRO C 177 ? 0.9682 0.5367 0.5946 0.1334 0.1568 0.0819 167 PRO H CA 5218 C C . PRO C 177 ? 0.9158 0.5102 0.5691 0.1145 0.1476 0.0832 167 PRO H C 5219 O O . PRO C 177 ? 0.9401 0.5551 0.6284 0.1063 0.1557 0.0884 167 PRO H O 5220 C CB . PRO C 177 ? 1.0542 0.6181 0.6743 0.1472 0.1847 0.0861 167 PRO H CB 5221 C CG . PRO C 177 ? 1.1464 0.6993 0.7668 0.1608 0.1986 0.0889 167 PRO H CG 5222 C CD . PRO C 177 ? 1.1269 0.6936 0.7802 0.1497 0.1856 0.0897 167 PRO H CD 5223 N N . ALA C 178 ? 0.8886 0.4813 0.5263 0.1083 0.1308 0.0785 168 ALA H N 5224 C CA . ALA C 178 ? 0.8710 0.4875 0.5321 0.0916 0.1218 0.0793 168 ALA H CA 5225 C C . ALA C 178 ? 0.9269 0.5557 0.5994 0.0924 0.1385 0.0818 168 ALA H C 5226 O O . ALA C 178 ? 1.0817 0.6975 0.7366 0.1060 0.1535 0.0818 168 ALA H O 5227 C CB . ALA C 178 ? 0.8607 0.4717 0.5042 0.0859 0.1002 0.0743 168 ALA H CB 5228 N N . VAL C 179 ? 0.8976 0.5501 0.5990 0.0783 0.1356 0.0836 169 VAL H N 5229 C CA . VAL C 179 ? 0.9233 0.5872 0.6373 0.0777 0.1484 0.0850 169 VAL H CA 5230 C C . VAL C 179 ? 0.8860 0.5611 0.6014 0.0678 0.1344 0.0824 169 VAL H C 5231 O O . VAL C 179 ? 0.9438 0.6264 0.6639 0.0573 0.1175 0.0813 169 VAL H O 5232 C CB . VAL C 179 ? 0.7340 0.4156 0.4846 0.0716 0.1620 0.0897 169 VAL H CB 5233 C CG1 . VAL C 179 ? 0.7462 0.4223 0.5041 0.0757 0.1674 0.0930 169 VAL H CG1 5234 C CG2 . VAL C 179 ? 0.7551 0.4585 0.5306 0.0549 0.1505 0.0894 169 VAL H CG2 5235 N N . LEU C 180 ? 0.7328 0.4080 0.4441 0.0721 0.1422 0.0819 170 LEU H N 5236 C CA . LEU C 180 ? 0.7776 0.4644 0.4936 0.0639 0.1318 0.0804 170 LEU H CA 5237 C C . LEU C 180 ? 0.7993 0.5076 0.5484 0.0530 0.1372 0.0825 170 LEU H C 5238 O O . LEU C 180 ? 0.8741 0.5844 0.6374 0.0560 0.1533 0.0847 170 LEU H O 5239 C CB . LEU C 180 ? 0.8172 0.4917 0.5119 0.0748 0.1365 0.0790 170 LEU H CB 5240 C CG . LEU C 180 ? 0.8225 0.5047 0.5157 0.0691 0.1242 0.0776 170 LEU H CG 5241 C CD1 . LEU C 180 ? 0.9077 0.5817 0.5814 0.0681 0.1052 0.0750 170 LEU H CD1 5242 C CD2 . LEU C 180 ? 0.8579 0.5320 0.5399 0.0791 0.1337 0.0779 170 LEU H CD2 5243 N N . GLN C 181 ? 0.7498 0.4731 0.5113 0.0406 0.1239 0.0818 171 GLN H N 5244 C CA . GLN C 181 ? 0.8352 0.5768 0.6248 0.0303 0.1268 0.0828 171 GLN H CA 5245 C C . GLN C 181 ? 0.9987 0.7463 0.7911 0.0291 0.1284 0.0818 171 GLN H C 5246 O O . GLN C 181 ? 1.1295 0.8675 0.9030 0.0366 0.1278 0.0809 171 GLN H O 5247 C CB . GLN C 181 ? 0.8063 0.5598 0.6076 0.0182 0.1129 0.0830 171 GLN H CB 5248 C CG . GLN C 181 ? 0.8863 0.6343 0.6891 0.0187 0.1118 0.0847 171 GLN H CG 5249 C CD . GLN C 181 ? 1.0241 0.7822 0.8370 0.0073 0.0977 0.0855 171 GLN H CD 5250 O OE1 . GLN C 181 ? 1.1043 0.8618 0.9262 0.0054 0.0975 0.0876 171 GLN H OE1 5251 N NE2 . GLN C 181 ? 1.0315 0.7982 0.8429 0.0006 0.0867 0.0844 171 GLN H NE2 5252 N N . SER C 182 ? 0.9535 0.7151 0.7685 0.0203 0.1303 0.0819 172 SER H N 5253 C CA . SER C 182 ? 0.9866 0.7535 0.8056 0.0186 0.1315 0.0809 172 SER H CA 5254 C C . SER C 182 ? 0.9776 0.7488 0.7862 0.0153 0.1172 0.0799 172 SER H C 5255 O O . SER C 182 ? 1.0276 0.7977 0.8302 0.0181 0.1174 0.0795 172 SER H O 5256 C CB . SER C 182 ? 1.0907 0.8699 0.9348 0.0094 0.1354 0.0806 172 SER H CB 5257 O OG . SER C 182 ? 1.1851 0.9622 1.0436 0.0110 0.1481 0.0821 172 SER H OG 5258 N N . SER C 183 ? 0.9075 0.6829 0.7149 0.0095 0.1052 0.0801 173 SER H N 5259 C CA . SER C 183 ? 0.8672 0.6473 0.6675 0.0058 0.0921 0.0802 173 SER H CA 5260 C C . SER C 183 ? 0.8600 0.6259 0.6369 0.0147 0.0882 0.0801 173 SER H C 5261 O O . SER C 183 ? 0.9711 0.7389 0.7413 0.0130 0.0783 0.0807 173 SER H O 5262 C CB . SER C 183 ? 0.9791 0.7670 0.7864 -0.0032 0.0813 0.0812 173 SER H CB 5263 O OG . SER C 183 ? 1.0501 0.8330 0.8608 -0.0026 0.0848 0.0816 173 SER H OG 5264 N N . GLY C 184 ? 0.9360 0.6867 0.6996 0.0248 0.0963 0.0795 174 GLY H N 5265 C CA . GLY C 184 ? 0.9478 0.6813 0.6850 0.0346 0.0920 0.0787 174 GLY H CA 5266 C C . GLY C 184 ? 0.8894 0.6172 0.6179 0.0319 0.0796 0.0782 174 GLY H C 5267 O O . GLY C 184 ? 0.9371 0.6529 0.6454 0.0361 0.0695 0.0772 174 GLY H O 5268 N N . LEU C 185 ? 0.7408 0.4758 0.4844 0.0249 0.0795 0.0790 175 LEU H N 5269 C CA . LEU C 185 ? 0.7290 0.4590 0.4676 0.0210 0.0678 0.0791 175 LEU H CA 5270 C C . LEU C 185 ? 0.8498 0.5684 0.5845 0.0268 0.0749 0.0789 175 LEU H C 5271 O O . LEU C 185 ? 0.9613 0.6863 0.7110 0.0267 0.0870 0.0802 175 LEU H O 5272 C CB . LEU C 185 ? 0.7630 0.5117 0.5229 0.0075 0.0598 0.0810 175 LEU H CB 5273 C CG . LEU C 185 ? 0.6535 0.4042 0.4096 0.0014 0.0450 0.0819 175 LEU H CG 5274 C CD1 . LEU C 185 ? 0.5628 0.3078 0.3047 0.0070 0.0429 0.0813 175 LEU H CD1 5275 C CD2 . LEU C 185 ? 0.5560 0.3275 0.3339 -0.0101 0.0419 0.0843 175 LEU H CD2 5276 N N . TYR C 186 ? 0.9371 0.6377 0.6515 0.0320 0.0673 0.0773 176 TYR H N 5277 C CA . TYR C 186 ? 0.9855 0.6728 0.6933 0.0393 0.0743 0.0772 176 TYR H CA 5278 C C . TYR C 186 ? 0.9665 0.6639 0.6950 0.0302 0.0707 0.0797 176 TYR H C 5279 O O . TYR C 186 ? 1.0471 0.7569 0.7878 0.0188 0.0590 0.0807 176 TYR H O 5280 C CB . TYR C 186 ? 1.0025 0.6642 0.6790 0.0491 0.0662 0.0738 176 TYR H CB 5281 C CG . TYR C 186 ? 0.9329 0.5793 0.5835 0.0618 0.0712 0.0711 176 TYR H CG 5282 C CD1 . TYR C 186 ? 0.8919 0.5259 0.5299 0.0755 0.0882 0.0709 176 TYR H CD1 5283 C CD2 . TYR C 186 ? 1.0268 0.6705 0.6652 0.0610 0.0590 0.0691 176 TYR H CD2 5284 C CE1 . TYR C 186 ? 1.0079 0.6264 0.6203 0.0883 0.0929 0.0685 176 TYR H CE1 5285 C CE2 . TYR C 186 ? 1.1009 0.7297 0.7143 0.0736 0.0621 0.0665 176 TYR H CE2 5286 C CZ . TYR C 186 ? 1.0897 0.7055 0.6894 0.0874 0.0790 0.0660 176 TYR H CZ 5287 O OH . TYR C 186 ? 1.1218 0.7213 0.6952 0.1008 0.0822 0.0636 176 TYR H OH 5288 N N . SER C 187 ? 0.8597 0.5515 0.5920 0.0360 0.0813 0.0812 177 SER H N 5289 C CA . SER C 187 ? 0.8512 0.5486 0.6005 0.0298 0.0778 0.0838 177 SER H CA 5290 C C . SER C 187 ? 0.8508 0.5332 0.5949 0.0413 0.0886 0.0850 177 SER H C 5291 O O . SER C 187 ? 0.9235 0.6011 0.6644 0.0510 0.1054 0.0857 177 SER H O 5292 C CB . SER C 187 ? 1.0006 0.7202 0.7783 0.0196 0.0821 0.0865 177 SER H CB 5293 O OG . SER C 187 ? 1.1500 0.8835 0.9326 0.0099 0.0727 0.0856 177 SER H OG 5294 N N . LEU C 188 ? 0.7927 0.4675 0.5367 0.0408 0.0795 0.0855 178 LEU H N 5295 C CA . LEU C 188 ? 0.7442 0.4046 0.4849 0.0527 0.0890 0.0868 178 LEU H CA 5296 C C . LEU C 188 ? 0.7320 0.3941 0.4879 0.0481 0.0801 0.0892 178 LEU H C 5297 O O . LEU C 188 ? 0.8567 0.5291 0.6213 0.0359 0.0656 0.0897 178 LEU H O 5298 C CB . LEU C 188 ? 0.7984 0.4332 0.5055 0.0658 0.0875 0.0823 178 LEU H CB 5299 C CG . LEU C 188 ? 0.8305 0.4512 0.5209 0.0633 0.0666 0.0781 178 LEU H CG 5300 C CD1 . LEU C 188 ? 0.9121 0.5185 0.6010 0.0707 0.0647 0.0778 178 LEU H CD1 5301 C CD2 . LEU C 188 ? 0.8522 0.4547 0.5104 0.0703 0.0616 0.0727 178 LEU H CD2 5302 N N . SER C 189 ? 0.7698 0.4231 0.5298 0.0590 0.0890 0.0905 179 SER H N 5303 C CA . SER C 189 ? 0.8182 0.4782 0.5963 0.0567 0.0794 0.0905 179 SER H CA 5304 C C . SER C 189 ? 0.8194 0.4572 0.5807 0.0708 0.0789 0.0878 179 SER H C 5305 O O . SER C 189 ? 0.8679 0.4920 0.6146 0.0846 0.0932 0.0867 179 SER H O 5306 C CB . SER C 189 ? 0.8294 0.5141 0.6451 0.0543 0.0892 0.0930 179 SER H CB 5307 O OG . SER C 189 ? 0.9483 0.6492 0.7766 0.0448 0.0948 0.0946 179 SER H OG 5308 N N . SER C 190 ? 0.7258 0.3586 0.4878 0.0678 0.0630 0.0869 180 SER H N 5309 C CA . SER C 190 ? 0.7490 0.3613 0.4989 0.0810 0.0615 0.0842 180 SER H CA 5310 C C . SER C 190 ? 0.7702 0.3973 0.5497 0.0808 0.0588 0.0865 180 SER H C 5311 O O . SER C 190 ? 0.9087 0.5515 0.7050 0.0684 0.0473 0.0892 180 SER H O 5312 C CB . SER C 190 ? 0.8189 0.4067 0.5404 0.0788 0.0434 0.0807 180 SER H CB 5313 O OG . SER C 190 ? 0.8147 0.3824 0.5246 0.0913 0.0413 0.0769 180 SER H OG 5314 N N . VAL C 191 ? 0.7438 0.3657 0.5289 0.0957 0.0695 0.0857 181 VAL H N 5315 C CA . VAL C 191 ? 0.7530 0.3923 0.5708 0.0975 0.0690 0.0880 181 VAL H CA 5316 C C . VAL C 191 ? 0.8305 0.4497 0.6390 0.1122 0.0666 0.0859 181 VAL H C 5317 O O . VAL C 191 ? 0.9502 0.5483 0.7364 0.1263 0.0769 0.0827 181 VAL H O 5318 C CB . VAL C 191 ? 0.8117 0.4755 0.6615 0.1005 0.0884 0.0903 181 VAL H CB 5319 C CG1 . VAL C 191 ? 0.8866 0.5620 0.7665 0.1099 0.0920 0.0914 181 VAL H CG1 5320 C CG2 . VAL C 191 ? 0.7275 0.4158 0.5971 0.0839 0.0853 0.0925 181 VAL H CG2 5321 N N . VAL C 192 ? 0.6184 0.2425 0.4418 0.1096 0.0529 0.0876 182 VAL H N 5322 C CA . VAL C 192 ? 0.7956 0.4028 0.6152 0.1241 0.0508 0.0860 182 VAL H CA 5323 C C . VAL C 192 ? 0.8011 0.4328 0.6603 0.1292 0.0546 0.0891 182 VAL H C 5324 O O . VAL C 192 ? 0.8538 0.5120 0.7400 0.1180 0.0493 0.0922 182 VAL H O 5325 C CB . VAL C 192 ? 0.8047 0.3902 0.6043 0.1188 0.0292 0.0857 182 VAL H CB 5326 C CG1 . VAL C 192 ? 0.8644 0.4224 0.6485 0.1358 0.0288 0.0823 182 VAL H CG1 5327 C CG2 . VAL C 192 ? 0.8243 0.3954 0.5957 0.1073 0.0209 0.0839 182 VAL H CG2 5328 N N . THR C 193 ? 0.7603 0.3830 0.6232 0.1469 0.0633 0.0877 183 THR H N 5329 C CA . THR C 193 ? 0.8355 0.4782 0.7353 0.1536 0.0630 0.0903 183 THR H CA 5330 C C . THR C 193 ? 0.9666 0.5870 0.8528 0.1609 0.0477 0.0898 183 THR H C 5331 O O . THR C 193 ? 1.1260 0.7159 0.9832 0.1726 0.0501 0.0861 183 THR H O 5332 C CB . THR C 193 ? 0.9148 0.5679 0.8360 0.1696 0.0869 0.0900 183 THR H CB 5333 O OG1 . THR C 193 ? 1.1220 0.7441 1.0143 0.1875 0.0946 0.0865 183 THR H OG1 5334 C CG2 . THR C 193 ? 0.8225 0.4894 0.7494 0.1637 0.1045 0.0908 183 THR H CG2 5335 N N . VAL C 194 ? 0.9803 0.6139 0.8855 0.1543 0.0314 0.0935 184 VAL H N 5336 C CA . VAL C 194 ? 1.0302 0.6423 0.9231 0.1599 0.0155 0.0945 184 VAL H CA 5337 C C . VAL C 194 ? 1.0581 0.6905 0.9870 0.1687 0.0118 0.0976 184 VAL H C 5338 O O . VAL C 194 ? 0.9770 0.6426 0.9415 0.1660 0.0172 0.0990 184 VAL H O 5339 C CB . VAL C 194 ? 1.0761 0.6780 0.9490 0.1426 -0.0043 0.0973 184 VAL H CB 5340 C CG1 . VAL C 194 ? 1.1028 0.6881 0.9447 0.1333 -0.0019 0.0942 184 VAL H CG1 5341 C CG2 . VAL C 194 ? 1.0648 0.6981 0.9638 0.1296 -0.0126 0.1020 184 VAL H CG2 5342 N N . PRO C 195 ? 1.0919 0.7040 1.0128 0.1796 0.0019 0.0985 185 PRO H N 5343 C CA . PRO C 195 ? 1.1619 0.7927 1.1153 0.1869 -0.0063 0.1022 185 PRO H CA 5344 C C . PRO C 195 ? 1.2641 0.9178 1.2316 0.1704 -0.0222 0.1068 185 PRO H C 5345 O O . PRO C 195 ? 1.2617 0.9020 1.2037 0.1566 -0.0340 0.1091 185 PRO H O 5346 C CB . PRO C 195 ? 1.0656 0.6625 0.9962 0.1977 -0.0175 0.1029 185 PRO H CB 5347 C CG . PRO C 195 ? 1.0530 0.6179 0.9497 0.2042 -0.0067 0.0971 185 PRO H CG 5348 C CD . PRO C 195 ? 1.0372 0.6081 0.9209 0.1884 -0.0006 0.0952 185 PRO H CD 5349 N N . SER C 196 ? 1.3924 1.0799 1.4004 0.1724 -0.0225 0.1081 186 SER H N 5350 C CA . SER C 196 ? 1.3376 1.0479 1.3593 0.1584 -0.0373 0.1112 186 SER H CA 5351 C C . SER C 196 ? 1.2739 0.9671 1.2758 0.1561 -0.0591 0.1166 186 SER H C 5352 O O . SER C 196 ? 1.2416 0.9422 1.2374 0.1425 -0.0716 0.1198 186 SER H O 5353 C CB . SER C 196 ? 1.3558 1.1039 1.4271 0.1633 -0.0354 0.1103 186 SER H CB 5354 O OG . SER C 196 ? 1.4084 1.1786 1.4911 0.1490 -0.0486 0.1114 186 SER H OG 5355 N N . SER C 197 ? 1.1057 0.7742 1.0960 0.1701 -0.0627 0.1180 187 SER H N 5356 C CA . SER C 197 ? 0.9362 0.5867 0.9101 0.1708 -0.0822 0.1244 187 SER H CA 5357 C C . SER C 197 ? 1.0174 0.6340 0.9490 0.1596 -0.0874 0.1268 187 SER H C 5358 O O . SER C 197 ? 1.0785 0.6784 0.9935 0.1567 -0.1024 0.1333 187 SER H O 5359 C CB . SER C 197 ? 0.8127 0.4519 0.7963 0.1919 -0.0841 0.1251 187 SER H CB 5360 O OG . SER C 197 ? 0.7499 0.3654 0.7189 0.2022 -0.0696 0.1202 187 SER H OG 5361 N N . SER C 198 ? 0.9449 0.5512 0.8599 0.1535 -0.0750 0.1218 188 SER H N 5362 C CA . SER C 198 ? 0.9344 0.5090 0.8129 0.1434 -0.0796 0.1229 188 SER H CA 5363 C C . SER C 198 ? 0.9660 0.5509 0.8361 0.1230 -0.0864 0.1270 188 SER H C 5364 O O . SER C 198 ? 1.0231 0.5939 0.8718 0.1107 -0.0899 0.1281 188 SER H O 5365 C CB . SER C 198 ? 0.9718 0.5288 0.8338 0.1473 -0.0654 0.1153 188 SER H CB 5366 O OG . SER C 198 ? 1.0708 0.6532 0.9466 0.1429 -0.0512 0.1112 188 SER H OG 5367 N N . LEU C 199 ? 0.9935 0.6764 0.6841 -0.0351 -0.1429 0.0739 189 LEU H N 5368 C CA . LEU C 199 ? 1.0246 0.7112 0.7211 -0.0453 -0.1351 0.0786 189 LEU H CA 5369 C C . LEU C 199 ? 1.2653 0.9390 0.9534 -0.0480 -0.1338 0.0854 189 LEU H C 5370 O O . LEU C 199 ? 1.4243 1.0978 1.1018 -0.0428 -0.1346 0.0869 189 LEU H O 5371 C CB . LEU C 199 ? 0.8795 0.5853 0.5785 -0.0453 -0.1299 0.0777 189 LEU H CB 5372 C CG . LEU C 199 ? 0.7841 0.5058 0.4909 -0.0416 -0.1311 0.0729 189 LEU H CG 5373 C CD1 . LEU C 199 ? 0.6978 0.4360 0.4082 -0.0428 -0.1271 0.0735 189 LEU H CD1 5374 C CD2 . LEU C 199 ? 0.7140 0.4359 0.4321 -0.0467 -0.1306 0.0707 189 LEU H CD2 5375 N N . GLY C 200 ? 1.2949 0.9590 0.9884 -0.0562 -0.1319 0.0903 190 GLY H N 5376 C CA . GLY C 200 ? 1.3391 0.9916 1.0260 -0.0593 -0.1305 0.0987 190 GLY H CA 5377 C C . GLY C 200 ? 1.3386 0.9706 1.0268 -0.0600 -0.1384 0.1011 190 GLY H C 5378 O O . GLY C 200 ? 1.3848 1.0057 1.0722 -0.0651 -0.1377 0.1099 190 GLY H O 5379 N N . THR C 201 ? 1.2360 0.8632 0.9262 -0.0547 -0.1463 0.0935 191 THR H N 5380 C CA . THR C 201 ? 1.1870 0.7934 0.8793 -0.0547 -0.1560 0.0935 191 THR H CA 5381 C C . THR C 201 ? 1.1514 0.7582 0.8570 -0.0594 -0.1587 0.0890 191 THR H C 5382 O O . THR C 201 ? 1.1618 0.7577 0.8774 -0.0680 -0.1610 0.0940 191 THR H O 5383 C CB . THR C 201 ? 1.2351 0.8320 0.9157 -0.0420 -0.1654 0.0871 191 THR H CB 5384 O OG1 . THR C 201 ? 1.3912 1.0035 1.0709 -0.0340 -0.1656 0.0779 191 THR H OG1 5385 C CG2 . THR C 201 ? 1.1632 0.7585 0.8312 -0.0374 -0.1637 0.0920 191 THR H CG2 5386 N N . GLN C 202 ? 1.1171 0.7375 0.8237 -0.0539 -0.1587 0.0804 192 GLN H N 5387 C CA . GLN C 202 ? 1.1542 0.7766 0.8721 -0.0568 -0.1619 0.0753 192 GLN H CA 5388 C C . GLN C 202 ? 1.1256 0.7646 0.8557 -0.0662 -0.1520 0.0786 192 GLN H C 5389 O O . GLN C 202 ? 1.1139 0.7702 0.8424 -0.0648 -0.1445 0.0780 192 GLN H O 5390 C CB . GLN C 202 ? 1.1775 0.8068 0.8898 -0.0451 -0.1672 0.0650 192 GLN H CB 5391 C CG . GLN C 202 ? 1.1310 0.7616 0.8527 -0.0464 -0.1718 0.0591 192 GLN H CG 5392 C CD . GLN C 202 ? 1.0888 0.6970 0.8165 -0.0518 -0.1812 0.0597 192 GLN H CD 5393 O OE1 . GLN C 202 ? 1.0987 0.7059 0.8399 -0.0635 -0.1786 0.0651 192 GLN H OE1 5394 N NE2 . GLN C 202 ? 1.0163 0.6065 0.7349 -0.0430 -0.1926 0.0543 192 GLN H NE2 5395 N N . THR C 203 ? 1.1947 0.8280 0.9378 -0.0757 -0.1527 0.0820 193 THR H N 5396 C CA . THR C 203 ? 1.2300 0.8786 0.9859 -0.0842 -0.1439 0.0850 193 THR H CA 5397 C C . THR C 203 ? 1.1846 0.8436 0.9473 -0.0819 -0.1463 0.0769 193 THR H C 5398 O O . THR C 203 ? 1.1896 0.8391 0.9543 -0.0794 -0.1558 0.0716 193 THR H O 5399 C CB . THR C 203 ? 1.2985 0.9393 1.0673 -0.0956 -0.1429 0.0939 193 THR H CB 5400 O OG1 . THR C 203 ? 1.3856 1.0152 1.1477 -0.0973 -0.1421 0.1025 193 THR H OG1 5401 C CG2 . THR C 203 ? 1.2577 0.9163 1.0381 -0.1029 -0.1320 0.0977 193 THR H CG2 5402 N N . TYR C 204 ? 1.0279 0.7060 0.7941 -0.0823 -0.1381 0.0759 194 TYR H N 5403 C CA . TYR C 204 ? 0.8484 0.5387 0.6210 -0.0799 -0.1395 0.0695 194 TYR H CA 5404 C C . TYR C 204 ? 0.7505 0.4505 0.5392 -0.0890 -0.1338 0.0722 194 TYR H C 5405 O O . TYR C 204 ? 0.8186 0.5293 0.6105 -0.0928 -0.1247 0.0760 194 TYR H O 5406 C CB . TYR C 204 ? 0.8071 0.5124 0.5723 -0.0720 -0.1363 0.0662 194 TYR H CB 5407 C CG . TYR C 204 ? 0.8279 0.5274 0.5791 -0.0611 -0.1428 0.0624 194 TYR H CG 5408 C CD1 . TYR C 204 ? 0.8661 0.5549 0.6136 -0.0551 -0.1525 0.0569 194 TYR H CD1 5409 C CD2 . TYR C 204 ? 0.8622 0.5671 0.6037 -0.0561 -0.1397 0.0639 194 TYR H CD2 5410 C CE1 . TYR C 204 ? 0.9418 0.6260 0.6760 -0.0436 -0.1582 0.0530 194 TYR H CE1 5411 C CE2 . TYR C 204 ? 0.9162 0.6173 0.6457 -0.0456 -0.1453 0.0609 194 TYR H CE2 5412 C CZ . TYR C 204 ? 0.9789 0.6699 0.7046 -0.0390 -0.1542 0.0554 194 TYR H CZ 5413 O OH . TYR C 204 ? 1.0190 0.7069 0.7324 -0.0270 -0.1596 0.0519 194 TYR H OH 5414 N N . ILE C 205 ? 0.6664 0.3626 0.4649 -0.0918 -0.1398 0.0698 195 ILE H N 5415 C CA . ILE C 205 ? 0.7296 0.4348 0.5446 -0.1002 -0.1355 0.0723 195 ILE H CA 5416 C C . ILE C 205 ? 0.7897 0.5044 0.6097 -0.0967 -0.1396 0.0656 195 ILE H C 5417 O O . ILE C 205 ? 0.9070 0.6141 0.7221 -0.0909 -0.1492 0.0597 195 ILE H O 5418 C CB . ILE C 205 ? 0.8117 0.5041 0.6378 -0.1092 -0.1394 0.0777 195 ILE H CB 5419 C CG1 . ILE C 205 ? 0.7711 0.4516 0.5910 -0.1117 -0.1377 0.0852 195 ILE H CG1 5420 C CG2 . ILE C 205 ? 0.8731 0.5777 0.7172 -0.1179 -0.1330 0.0820 195 ILE H CG2 5421 C CD1 . ILE C 205 ? 0.6959 0.3549 0.5081 -0.1082 -0.1497 0.0831 195 ILE H CD1 5422 N N . CYS C 206 ? 0.8311 0.5625 0.6604 -0.0993 -0.1326 0.0663 196 CYS H N 5423 C CA . CYS C 206 ? 0.8967 0.6380 0.7328 -0.0970 -0.1360 0.0615 196 CYS H CA 5424 C C . CYS C 206 ? 0.9361 0.6778 0.7892 -0.1057 -0.1368 0.0637 196 CYS H C 5425 O O . CYS C 206 ? 0.9246 0.6714 0.7879 -0.1130 -0.1291 0.0693 196 CYS H O 5426 C CB . CYS C 206 ? 0.8028 0.5622 0.6391 -0.0936 -0.1296 0.0609 196 CYS H CB 5427 S SG . CYS C 206 ? 1.2435 1.0140 1.0916 -0.1013 -0.1182 0.0661 196 CYS H SG 5428 N N . ASN C 207 ? 0.8569 0.5938 0.7129 -0.1042 -0.1464 0.0590 197 ASN H N 5429 C CA . ASN C 207 ? 0.8102 0.5469 0.6832 -0.1123 -0.1492 0.0608 197 ASN H CA 5430 C C . ASN C 207 ? 0.8139 0.5668 0.6952 -0.1109 -0.1483 0.0581 197 ASN H C 5431 O O . ASN C 207 ? 0.8139 0.5691 0.6888 -0.1034 -0.1550 0.0520 197 ASN H O 5432 C CB . ASN C 207 ? 0.9276 0.6459 0.7998 -0.1124 -0.1624 0.0575 197 ASN H CB 5433 C CG . ASN C 207 ? 1.0298 0.7307 0.8894 -0.1101 -0.1657 0.0583 197 ASN H CG 5434 O OD1 . ASN C 207 ? 1.0365 0.7315 0.8801 -0.1000 -0.1711 0.0521 197 ASN H OD1 5435 N ND2 . ASN C 207 ? 1.0972 0.7910 0.9642 -0.1189 -0.1623 0.0667 197 ASN H ND2 5436 N N . VAL C 208 ? 0.8489 0.6137 0.7442 -0.1175 -0.1398 0.0629 198 VAL H N 5437 C CA . VAL C 208 ? 0.7681 0.5486 0.6726 -0.1167 -0.1382 0.0614 198 VAL H CA 5438 C C . VAL C 208 ? 0.8760 0.6575 0.7981 -0.1236 -0.1424 0.0626 198 VAL H C 5439 O O . VAL C 208 ? 0.9538 0.7325 0.8876 -0.1319 -0.1394 0.0682 198 VAL H O 5440 C CB . VAL C 208 ? 0.6694 0.4634 0.5776 -0.1176 -0.1266 0.0649 198 VAL H CB 5441 C CG1 . VAL C 208 ? 0.6993 0.5084 0.6185 -0.1171 -0.1257 0.0640 198 VAL H CG1 5442 C CG2 . VAL C 208 ? 0.6601 0.4538 0.5523 -0.1110 -0.1238 0.0637 198 VAL H CG2 5443 N N . ASN C 209 ? 0.9715 0.7582 0.8956 -0.1200 -0.1494 0.0580 199 ASN H N 5444 C CA . ASN C 209 ? 0.9797 0.7680 0.9202 -0.1258 -0.1550 0.0584 199 ASN H CA 5445 C C . ASN C 209 ? 0.9598 0.7660 0.9107 -0.1251 -0.1515 0.0587 199 ASN H C 5446 O O . ASN C 209 ? 1.0032 0.8170 0.9458 -0.1174 -0.1533 0.0552 199 ASN H O 5447 C CB . ASN C 209 ? 1.0508 0.8261 0.9849 -0.1221 -0.1696 0.0518 199 ASN H CB 5448 C CG . ASN C 209 ? 1.1438 0.9051 1.0895 -0.1310 -0.1766 0.0544 199 ASN H CG 5449 O OD1 . ASN C 209 ? 1.1365 0.9006 1.0984 -0.1368 -0.1815 0.0553 199 ASN H OD1 5450 N ND2 . ASN C 209 ? 1.1970 0.9434 1.1358 -0.1326 -0.1773 0.0563 199 ASN H ND2 5451 N N . HIS C 210 ? 0.9067 0.7204 0.8761 -0.1329 -0.1463 0.0638 200 HIS H N 5452 C CA . HIS C 210 ? 0.8962 0.7256 0.8780 -0.1329 -0.1442 0.0644 200 HIS H CA 5453 C C . HIS C 210 ? 0.9864 0.8164 0.9865 -0.1398 -0.1503 0.0660 200 HIS H C 5454 O O . HIS C 210 ? 1.0800 0.9141 1.0959 -0.1472 -0.1445 0.0718 200 HIS H O 5455 C CB . HIS C 210 ? 0.8258 0.6663 0.8137 -0.1343 -0.1315 0.0688 200 HIS H CB 5456 C CG . HIS C 210 ? 0.8153 0.6707 0.8127 -0.1323 -0.1297 0.0690 200 HIS H CG 5457 N ND1 . HIS C 210 ? 0.8143 0.6800 0.8275 -0.1361 -0.1223 0.0728 200 HIS H ND1 5458 C CD2 . HIS C 210 ? 0.7831 0.6453 0.7764 -0.1263 -0.1346 0.0663 200 HIS H CD2 5459 C CE1 . HIS C 210 ? 0.6879 0.5644 0.7069 -0.1331 -0.1232 0.0722 200 HIS H CE1 5460 N NE2 . HIS C 210 ? 0.6914 0.5666 0.6988 -0.1274 -0.1305 0.0689 200 HIS H NE2 5461 N N . LYS C 211 ? 0.9834 0.8104 0.9812 -0.1367 -0.1622 0.0608 201 LYS H N 5462 C CA . LYS C 211 ? 1.0801 0.9064 1.0949 -0.1429 -0.1706 0.0614 201 LYS H CA 5463 C C . LYS C 211 ? 1.0514 0.8946 1.0871 -0.1475 -0.1648 0.0662 201 LYS H C 5464 O O . LYS C 211 ? 1.0047 0.8490 1.0590 -0.1558 -0.1660 0.0707 201 LYS H O 5465 C CB . LYS C 211 ? 1.1305 0.9499 1.1359 -0.1369 -0.1857 0.0534 201 LYS H CB 5466 C CG . LYS C 211 ? 1.1443 0.9595 1.1662 -0.1435 -0.1973 0.0529 201 LYS H CG 5467 C CD . LYS C 211 ? 1.1409 0.9485 1.1504 -0.1357 -0.2131 0.0434 201 LYS H CD 5468 C CE . LYS C 211 ? 1.0839 0.8865 1.1104 -0.1425 -0.2264 0.0424 201 LYS H CE 5469 N NZ . LYS C 211 ? 1.0117 0.8059 1.0243 -0.1337 -0.2429 0.0319 201 LYS H NZ 5470 N N . PRO C 212 ? 0.8986 0.7553 0.9326 -0.1422 -0.1590 0.0660 202 PRO H N 5471 C CA . PRO C 212 ? 0.8702 0.7419 0.9243 -0.1459 -0.1537 0.0705 202 PRO H CA 5472 C C . PRO C 212 ? 0.8384 0.7136 0.9071 -0.1532 -0.1433 0.0772 202 PRO H C 5473 O O . PRO C 212 ? 0.8595 0.7434 0.9483 -0.1585 -0.1430 0.0811 202 PRO H O 5474 C CB . PRO C 212 ? 0.7916 0.6737 0.8386 -0.1389 -0.1480 0.0699 202 PRO H CB 5475 C CG . PRO C 212 ? 0.7443 0.6208 0.7715 -0.1311 -0.1554 0.0646 202 PRO H CG 5476 C CD . PRO C 212 ? 0.7233 0.5829 0.7394 -0.1325 -0.1593 0.0620 202 PRO H CD 5477 N N . SER C 213 ? 0.7210 0.5909 0.7797 -0.1528 -0.1350 0.0787 203 SER H N 5478 C CA . SER C 213 ? 0.7212 0.5955 0.7910 -0.1582 -0.1246 0.0853 203 SER H CA 5479 C C . SER C 213 ? 0.8172 0.6800 0.8888 -0.1648 -0.1282 0.0889 203 SER H C 5480 O O . SER C 213 ? 0.7929 0.6592 0.8737 -0.1697 -0.1201 0.0959 203 SER H O 5481 C CB . SER C 213 ? 0.7064 0.5826 0.7644 -0.1536 -0.1135 0.0852 203 SER H CB 5482 O OG . SER C 213 ? 0.7426 0.6063 0.7798 -0.1500 -0.1157 0.0819 203 SER H OG 5483 N N . ASN C 214 ? 1.0471 0.8965 1.1099 -0.1641 -0.1405 0.0843 204 ASN H N 5484 C CA . ASN C 214 ? 1.0748 0.9099 1.1387 -0.1700 -0.1470 0.0869 204 ASN H CA 5485 C C . ASN C 214 ? 0.9704 0.7993 1.0243 -0.1707 -0.1380 0.0913 204 ASN H C 5486 O O . ASN C 214 ? 0.8980 0.7218 0.9607 -0.1779 -0.1378 0.0984 204 ASN H O 5487 C CB . ASN C 214 ? 1.0320 0.8719 1.1217 -0.1797 -0.1509 0.0935 204 ASN H CB 5488 C CG . ASN C 214 ? 1.1076 0.9308 1.1995 -0.1841 -0.1668 0.0917 204 ASN H CG 5489 O OD1 . ASN C 214 ? 1.0255 0.8323 1.1035 -0.1832 -0.1710 0.0900 204 ASN H OD1 5490 N ND2 . ASN C 214 ? 1.2016 1.0282 1.3111 -0.1887 -0.1766 0.0917 204 ASN H ND2 5491 N N . THR C 215 ? 0.8651 0.6950 0.9013 -0.1632 -0.1311 0.0877 205 THR H N 5492 C CA . THR C 215 ? 0.8948 0.7194 0.9193 -0.1626 -0.1229 0.0910 205 THR H CA 5493 C C . THR C 215 ? 0.9394 0.7475 0.9429 -0.1576 -0.1301 0.0855 205 THR H C 5494 O O . THR C 215 ? 0.8460 0.6530 0.8373 -0.1503 -0.1350 0.0782 205 THR H O 5495 C CB . THR C 215 ? 0.7015 0.5382 0.7213 -0.1579 -0.1100 0.0911 205 THR H CB 5496 O OG1 . THR C 215 ? 0.6530 0.4914 0.6613 -0.1503 -0.1127 0.0838 205 THR H OG1 5497 C CG2 . THR C 215 ? 0.5646 0.4176 0.6046 -0.1614 -0.1026 0.0960 205 THR H CG2 5498 N N . LYS C 216 ? 1.0306 0.8267 1.0303 -0.1612 -0.1306 0.0899 206 LYS H N 5499 C CA . LYS C 216 ? 0.9186 0.6982 0.8989 -0.1562 -0.1372 0.0854 206 LYS H CA 5500 C C . LYS C 216 ? 0.8778 0.6554 0.8470 -0.1553 -0.1273 0.0900 206 LYS H C 5501 O O . LYS C 216 ? 1.0047 0.7800 0.9812 -0.1618 -0.1233 0.0986 206 LYS H O 5502 C CB . LYS C 216 ? 0.9173 0.6803 0.9026 -0.1610 -0.1507 0.0856 206 LYS H CB 5503 C CG . LYS C 216 ? 0.9555 0.7158 0.9437 -0.1586 -0.1640 0.0777 206 LYS H CG 5504 C CD . LYS C 216 ? 0.9976 0.7710 1.0090 -0.1654 -0.1639 0.0812 206 LYS H CD 5505 C CE . LYS C 216 ? 0.9564 0.7251 0.9702 -0.1633 -0.1790 0.0735 206 LYS H CE 5506 N NZ . LYS C 216 ? 0.7740 0.5595 0.7899 -0.1585 -0.1763 0.0697 206 LYS H NZ 5507 N N . VAL C 217 ? 0.7763 0.5556 0.7284 -0.1472 -0.1235 0.0850 207 VAL H N 5508 C CA . VAL C 217 ? 0.8577 0.6362 0.7981 -0.1454 -0.1144 0.0884 207 VAL H CA 5509 C C . VAL C 217 ? 0.8887 0.6528 0.8094 -0.1395 -0.1201 0.0846 207 VAL H C 5510 O O . VAL C 217 ? 0.8276 0.5910 0.7380 -0.1322 -0.1252 0.0773 207 VAL H O 5511 C CB . VAL C 217 ? 0.7361 0.5294 0.6742 -0.1411 -0.1045 0.0867 207 VAL H CB 5512 C CG1 . VAL C 217 ? 0.5970 0.3879 0.5205 -0.1380 -0.0972 0.0887 207 VAL H CG1 5513 C CG2 . VAL C 217 ? 0.6682 0.4756 0.6250 -0.1459 -0.0977 0.0909 207 VAL H CG2 5514 N N . ASP C 218 ? 0.9688 0.7225 0.8850 -0.1423 -0.1189 0.0902 208 ASP H N 5515 C CA . ASP C 218 ? 1.0356 0.7760 0.9331 -0.1365 -0.1231 0.0875 208 ASP H CA 5516 C C . ASP C 218 ? 0.9757 0.7210 0.8623 -0.1340 -0.1125 0.0908 208 ASP H C 5517 O O . ASP C 218 ? 0.9699 0.7163 0.8603 -0.1389 -0.1056 0.0990 208 ASP H O 5518 C CB . ASP C 218 ? 1.1614 0.8837 1.0609 -0.1410 -0.1318 0.0914 208 ASP H CB 5519 C CG . ASP C 218 ? 1.3406 1.0571 1.2528 -0.1446 -0.1433 0.0884 208 ASP H CG 5520 O OD1 . ASP C 218 ? 1.4174 1.1255 1.3204 -0.1379 -0.1538 0.0795 208 ASP H OD1 5521 O OD2 . ASP C 218 ? 1.4118 1.1332 1.3431 -0.1535 -0.1421 0.0949 208 ASP H OD2 5522 N N . LYS C 219 ? 0.9589 0.7077 0.8319 -0.1260 -0.1117 0.0848 209 LYS H N 5523 C CA . LYS C 219 ? 0.9240 0.6783 0.7869 -0.1230 -0.1029 0.0865 209 LYS H CA 5524 C C . LYS C 219 ? 0.9744 0.7174 0.8191 -0.1171 -0.1065 0.0851 209 LYS H C 5525 O O . LYS C 219 ? 0.9941 0.7340 0.8309 -0.1108 -0.1133 0.0791 209 LYS H O 5526 C CB . LYS C 219 ? 0.8556 0.6247 0.7204 -0.1194 -0.0987 0.0818 209 LYS H CB 5527 C CG . LYS C 219 ? 0.7972 0.5724 0.6541 -0.1168 -0.0904 0.0827 209 LYS H CG 5528 C CD . LYS C 219 ? 0.9285 0.7079 0.7919 -0.1218 -0.0818 0.0892 209 LYS H CD 5529 C CE . LYS C 219 ? 1.0762 0.8604 0.9288 -0.1177 -0.0746 0.0889 209 LYS H CE 5530 N NZ . LYS C 219 ? 1.1768 0.9508 1.0121 -0.1141 -0.0767 0.0897 209 LYS H NZ 5531 N N . ARG C 220 ? 1.0125 0.7507 0.8505 -0.1187 -0.1016 0.0912 210 ARG H N 5532 C CA . ARG C 220 ? 0.9256 0.6533 0.7468 -0.1134 -0.1044 0.0910 210 ARG H CA 5533 C C . ARG C 220 ? 0.8789 0.6157 0.6890 -0.1072 -0.0996 0.0876 210 ARG H C 5534 O O . ARG C 220 ? 0.9013 0.6485 0.7139 -0.1086 -0.0916 0.0891 210 ARG H O 5535 C CB . ARG C 220 ? 0.9033 0.6217 0.7226 -0.1181 -0.1018 0.1004 210 ARG H CB 5536 C CG . ARG C 220 ? 1.0349 0.7433 0.8366 -0.1128 -0.1036 0.1014 210 ARG H CG 5537 C CD . ARG C 220 ? 1.1851 0.8863 0.9854 -0.1176 -0.0999 0.1124 210 ARG H CD 5538 N NE . ARG C 220 ? 1.3233 1.0195 1.1058 -0.1119 -0.0990 0.1137 210 ARG H NE 5539 C CZ . ARG C 220 ? 1.3295 1.0359 1.1028 -0.1086 -0.0910 0.1141 210 ARG H CZ 5540 N NH1 . ARG C 220 ? 1.2612 0.9826 1.0410 -0.1101 -0.0832 0.1130 210 ARG H NH1 5541 N NH2 . ARG C 220 ? 1.3271 1.0282 1.0843 -0.1034 -0.0915 0.1152 210 ARG H NH2 5542 N N . VAL C 221 ? 0.7930 0.5261 0.5915 -0.1001 -0.1051 0.0829 211 VAL H N 5543 C CA . VAL C 221 ? 0.7222 0.4638 0.5119 -0.0945 -0.1024 0.0801 211 VAL H CA 5544 C C . VAL C 221 ? 0.8266 0.5599 0.6009 -0.0909 -0.1025 0.0827 211 VAL H C 5545 O O . VAL C 221 ? 0.8499 0.5735 0.6161 -0.0865 -0.1090 0.0816 211 VAL H O 5546 C CB . VAL C 221 ? 0.6514 0.3999 0.4414 -0.0887 -0.1077 0.0741 211 VAL H CB 5547 C CG1 . VAL C 221 ? 0.7111 0.4679 0.4936 -0.0837 -0.1061 0.0726 211 VAL H CG1 5548 C CG2 . VAL C 221 ? 0.6137 0.3721 0.4185 -0.0918 -0.1072 0.0720 211 VAL H CG2 5549 N N . GLU C 222 ? 1.0569 0.7941 0.8265 -0.0919 -0.0957 0.0858 212 GLU H N 5550 C CA . GLU C 222 ? 1.2077 0.9383 0.9620 -0.0882 -0.0955 0.0885 212 GLU H CA 5551 C C . GLU C 222 ? 1.1139 0.8519 0.8605 -0.0820 -0.0970 0.0836 212 GLU H C 5552 O O . GLU C 222 ? 0.9947 0.7440 0.7481 -0.0820 -0.0954 0.0799 212 GLU H O 5553 C CB . GLU C 222 ? 1.3784 1.1094 1.1299 -0.0919 -0.0876 0.0951 212 GLU H CB 5554 C CG . GLU C 222 ? 1.4740 1.2181 1.2270 -0.0915 -0.0808 0.0926 212 GLU H CG 5555 C CD . GLU C 222 ? 1.5313 1.2767 1.2771 -0.0923 -0.0730 0.0988 212 GLU H CD 5556 O OE1 . GLU C 222 ? 1.5476 1.2922 1.2788 -0.0875 -0.0724 0.0986 212 GLU H OE1 5557 O OE2 . GLU C 222 ? 1.5464 1.2947 1.3015 -0.0974 -0.0674 0.1044 212 GLU H OE2 5558 N N . PRO C 223 ? 1.0400 0.7716 0.7737 -0.0768 -0.1007 0.0843 213 PRO H N 5559 C CA . PRO C 223 ? 0.9889 0.7277 0.7160 -0.0711 -0.1029 0.0809 213 PRO H CA 5560 C C . PRO C 223 ? 1.0184 0.7625 0.7406 -0.0717 -0.0978 0.0812 213 PRO H C 5561 O O . PRO C 223 ? 1.1022 0.8448 0.8241 -0.0754 -0.0918 0.0845 213 PRO H O 5562 C CB . PRO C 223 ? 0.9344 0.6633 0.6491 -0.0656 -0.1080 0.0826 213 PRO H CB 5563 C CG . PRO C 223 ? 1.0090 0.7253 0.7259 -0.0678 -0.1105 0.0850 213 PRO H CG 5564 C CD . PRO C 223 ? 1.0413 0.7581 0.7673 -0.0758 -0.1045 0.0883 213 PRO H CD 5565 N N . LYS C 224 ? 0.9712 0.7221 0.6898 -0.0676 -0.1006 0.0779 214 LYS H N 5566 C CA . LYS C 224 ? 0.9818 0.7361 0.6936 -0.0668 -0.0978 0.0767 214 LYS H CA 5567 C C . LYS C 224 ? 0.8506 0.6048 0.5515 -0.0613 -0.1032 0.0759 214 LYS H C 5568 O O . LYS C 224 ? 0.7879 0.5405 0.4874 -0.0579 -0.1082 0.0767 214 LYS H O 5569 C CB . LYS C 224 ? 1.0313 0.7955 0.7548 -0.0690 -0.0964 0.0721 214 LYS H CB 5570 C CG . LYS C 224 ? 1.0580 0.8234 0.7905 -0.0740 -0.0899 0.0731 214 LYS H CG 5571 C CD . LYS C 224 ? 1.1173 0.8920 0.8628 -0.0756 -0.0895 0.0685 214 LYS H CD 5572 C CE . LYS C 224 ? 1.2390 1.0156 0.9939 -0.0800 -0.0829 0.0699 214 LYS H CE 5573 N NZ . LYS C 224 ? 1.2459 1.0310 1.0152 -0.0816 -0.0832 0.0656 214 LYS H NZ 5574 N N . SER C 225 ? 0.8082 0.5643 0.5012 -0.0596 -0.1026 0.0740 215 SER H N 5575 C CA . SER C 225 ? 0.8545 0.6107 0.5374 -0.0546 -0.1084 0.0732 215 SER H CA 5576 C C . SER C 225 ? 0.9145 0.6789 0.6022 -0.0540 -0.1123 0.0676 215 SER H C 5577 O O . SER C 225 ? 0.8213 0.5935 0.5216 -0.0545 -0.1172 0.0660 215 SER H O 5578 C CB . SER C 225 ? 0.7483 0.4963 0.4133 -0.0521 -0.1059 0.0768 215 SER H CB 5579 O OG . SER C 225 ? 0.6500 0.3895 0.3128 -0.0538 -0.1025 0.0829 215 SER H OG 5580 N N . ASP D 1 ? 1.2168 1.1084 1.1965 0.0292 -0.2418 0.1608 1 ASP L N 5581 C CA . ASP D 1 ? 1.3342 1.2270 1.2934 0.0446 -0.2220 0.1571 1 ASP L CA 5582 C C . ASP D 1 ? 1.2886 1.1876 1.2325 0.0497 -0.2043 0.1752 1 ASP L C 5583 O O . ASP D 1 ? 1.3500 1.2612 1.2954 0.0574 -0.2099 0.1826 1 ASP L O 5584 C CB . ASP D 1 ? 1.3974 1.2979 1.3638 0.0540 -0.2383 0.1460 1 ASP L CB 5585 C CG . ASP D 1 ? 1.4085 1.3093 1.3521 0.0685 -0.2190 0.1411 1 ASP L CG 5586 O OD1 . ASP D 1 ? 1.3617 1.2714 1.2970 0.0761 -0.2163 0.1520 1 ASP L OD1 5587 O OD2 . ASP D 1 ? 1.4536 1.3460 1.3883 0.0718 -0.2070 0.1272 1 ASP L OD2 5588 N N . ILE D 2 ? 1.1315 1.0216 1.0617 0.0454 -0.1834 0.1824 2 ILE L N 5589 C CA . ILE D 2 ? 1.1097 1.0042 1.0265 0.0506 -0.1643 0.1987 2 ILE L CA 5590 C C . ILE D 2 ? 1.1218 1.0159 1.0197 0.0661 -0.1458 0.1969 2 ILE L C 5591 O O . ILE D 2 ? 1.2039 1.0868 1.0882 0.0696 -0.1330 0.1857 2 ILE L O 5592 C CB . ILE D 2 ? 1.1166 0.9988 1.0216 0.0413 -0.1465 0.2052 2 ILE L CB 5593 C CG1 . ILE D 2 ? 1.1929 1.0760 1.1143 0.0244 -0.1646 0.2100 2 ILE L CG1 5594 C CG2 . ILE D 2 ? 1.0766 0.9620 0.9671 0.0489 -0.1239 0.2200 2 ILE L CG2 5595 C CD1 . ILE D 2 ? 1.2362 1.1360 1.1689 0.0222 -0.1726 0.2268 2 ILE L CD1 5596 N N . GLN D 3 ? 1.0356 0.9426 0.9339 0.0748 -0.1452 0.2088 3 GLN L N 5597 C CA . GLN D 3 ? 1.0592 0.9661 0.9397 0.0888 -0.1280 0.2103 3 GLN L CA 5598 C C . GLN D 3 ? 0.9963 0.8996 0.8642 0.0920 -0.1032 0.2243 3 GLN L C 5599 O O . GLN D 3 ? 0.9568 0.8685 0.8343 0.0888 -0.1038 0.2381 3 GLN L O 5600 C CB . GLN D 3 ? 1.1928 1.1149 1.0812 0.0969 -0.1437 0.2146 3 GLN L CB 5601 C CG . GLN D 3 ? 1.3445 1.2702 1.2465 0.0938 -0.1704 0.2012 3 GLN L CG 5602 C CD . GLN D 3 ? 1.4789 1.3960 1.3674 0.0994 -0.1663 0.1825 3 GLN L CD 5603 O OE1 . GLN D 3 ? 1.5238 1.4421 1.4213 0.0983 -0.1851 0.1690 3 GLN L OE1 5604 N NE2 . GLN D 3 ? 1.4735 1.3819 1.3406 0.1054 -0.1415 0.1816 3 GLN L NE2 5605 N N . LEU D 4 ? 0.9549 0.8456 0.8018 0.0983 -0.0812 0.2203 4 LEU L N 5606 C CA . LEU D 4 ? 0.8394 0.7239 0.6728 0.1030 -0.0566 0.2319 4 LEU L CA 5607 C C . LEU D 4 ? 1.0227 0.9097 0.8444 0.1174 -0.0455 0.2366 4 LEU L C 5608 O O . LEU D 4 ? 1.1730 1.0524 0.9808 0.1218 -0.0404 0.2267 4 LEU L O 5609 C CB . LEU D 4 ? 0.7251 0.5889 0.5423 0.0967 -0.0396 0.2248 4 LEU L CB 5610 C CG . LEU D 4 ? 0.7607 0.6180 0.5849 0.0812 -0.0462 0.2227 4 LEU L CG 5611 C CD1 . LEU D 4 ? 0.8503 0.6862 0.6576 0.0755 -0.0326 0.2132 4 LEU L CD1 5612 C CD2 . LEU D 4 ? 0.7254 0.5877 0.5531 0.0782 -0.0394 0.2378 4 LEU L CD2 5613 N N . THR D 5 ? 1.0272 0.9252 0.8553 0.1243 -0.0417 0.2524 5 THR L N 5614 C CA . THR D 5 ? 1.0518 0.9527 0.8712 0.1375 -0.0326 0.2594 5 THR L CA 5615 C C . THR D 5 ? 0.9887 0.8841 0.8016 0.1439 -0.0088 0.2723 5 THR L C 5616 O O . THR D 5 ? 0.9841 0.8874 0.8099 0.1422 -0.0065 0.2834 5 THR L O 5617 C CB . THR D 5 ? 0.9968 0.9173 0.8322 0.1422 -0.0528 0.2674 5 THR L CB 5618 O OG1 . THR D 5 ? 1.0330 0.9618 0.8737 0.1511 -0.0430 0.2852 5 THR L OG1 5619 C CG2 . THR D 5 ? 0.8780 0.8099 0.7351 0.1320 -0.0755 0.2669 5 THR L CG2 5620 N N . GLN D 6 ? 0.9402 0.8222 0.7336 0.1510 0.0089 0.2705 6 GLN L N 5621 C CA . GLN D 6 ? 0.9885 0.8629 0.7750 0.1586 0.0317 0.2815 6 GLN L CA 5622 C C . GLN D 6 ? 1.1466 1.0306 0.9365 0.1716 0.0327 0.2939 6 GLN L C 5623 O O . GLN D 6 ? 1.2811 1.1638 1.0605 0.1759 0.0284 0.2901 6 GLN L O 5624 C CB . GLN D 6 ? 0.9765 0.8270 0.7391 0.1574 0.0511 0.2729 6 GLN L CB 5625 C CG . GLN D 6 ? 0.9579 0.7965 0.7153 0.1439 0.0496 0.2604 6 GLN L CG 5626 C CD . GLN D 6 ? 0.9411 0.7556 0.6756 0.1427 0.0694 0.2544 6 GLN L CD 5627 O OE1 . GLN D 6 ? 0.9421 0.7463 0.6685 0.1344 0.0667 0.2421 6 GLN L OE1 5628 N NE2 . GLN D 6 ? 0.9046 0.7097 0.6298 0.1509 0.0890 0.2635 6 GLN L NE2 5629 N N . SER D 7 ? 1.1200 1.0142 0.9250 0.1775 0.0383 0.3092 7 SER L N 5630 C CA . SER D 7 ? 1.1788 1.0811 0.9894 0.1901 0.0407 0.3231 7 SER L CA 5631 C C . SER D 7 ? 1.1251 1.0207 0.9375 0.1969 0.0644 0.3312 7 SER L C 5632 O O . SER D 7 ? 1.1198 1.0163 0.9399 0.1940 0.0730 0.3347 7 SER L O 5633 C CB . SER D 7 ? 1.2304 1.1573 1.0660 0.1908 0.0193 0.3331 7 SER L CB 5634 O OG . SER D 7 ? 1.2358 1.1674 1.0685 0.1857 -0.0028 0.3239 7 SER L OG 5635 N N . PRO D 8 ? 0.9960 0.8849 0.8016 0.2052 0.0746 0.3331 8 PRO L N 5636 C CA . PRO D 8 ? 1.0619 0.9504 0.8573 0.2082 0.0651 0.3309 8 PRO L CA 5637 C C . PRO D 8 ? 1.1688 1.0377 0.9353 0.2042 0.0694 0.3183 8 PRO L C 5638 O O . PRO D 8 ? 1.1600 1.0128 0.9147 0.1998 0.0827 0.3114 8 PRO L O 5639 C CB . PRO D 8 ? 1.0675 0.9545 0.8680 0.2176 0.0778 0.3392 8 PRO L CB 5640 C CG . PRO D 8 ? 0.9922 0.8661 0.7907 0.2193 0.1004 0.3388 8 PRO L CG 5641 C CD . PRO D 8 ? 0.9075 0.7883 0.7152 0.2123 0.0971 0.3383 8 PRO L CD 5642 N N . ALA D 9 ? 1.1991 1.0694 0.9541 0.2053 0.0585 0.3154 9 ALA L N 5643 C CA . ALA D 9 ? 1.1809 1.0357 0.9107 0.2012 0.0627 0.3024 9 ALA L CA 5644 C C . ALA D 9 ? 1.1626 0.9988 0.8769 0.2048 0.0840 0.3032 9 ALA L C 5645 O O . ALA D 9 ? 1.0849 0.9038 0.7820 0.2001 0.0951 0.2941 9 ALA L O 5646 C CB . ALA D 9 ? 1.1649 1.0282 0.8872 0.2007 0.0462 0.2976 9 ALA L CB 5647 N N . SER D 10 ? 1.2438 1.0844 0.9671 0.2116 0.0881 0.3126 10 SER L N 5648 C CA . SER D 10 ? 1.2864 1.1113 1.0007 0.2148 0.1063 0.3130 10 SER L CA 5649 C C . SER D 10 ? 1.2322 1.0607 0.9672 0.2215 0.1160 0.3227 10 SER L C 5650 O O . SER D 10 ? 1.1550 1.0016 0.9113 0.2259 0.1065 0.3328 10 SER L O 5651 C CB . SER D 10 ? 1.3301 1.1538 1.0319 0.2175 0.1028 0.3157 10 SER L CB 5652 O OG . SER D 10 ? 1.3174 1.1252 1.0110 0.2201 0.1189 0.3163 10 SER L OG 5653 N N . LEU D 11 ? 1.2857 1.0970 1.0145 0.2225 0.1350 0.3194 11 LEU L N 5654 C CA . LEU D 11 ? 1.3451 1.1575 1.0910 0.2304 0.1474 0.3280 11 LEU L CA 5655 C C . LEU D 11 ? 1.3603 1.1567 1.0996 0.2373 0.1621 0.3302 11 LEU L C 5656 O O . LEU D 11 ? 1.3828 1.1589 1.1019 0.2333 0.1719 0.3211 11 LEU L O 5657 C CB . LEU D 11 ? 1.4163 1.2225 1.1626 0.2259 0.1571 0.3230 11 LEU L CB 5658 C CG . LEU D 11 ? 1.4750 1.2847 1.2393 0.2344 0.1707 0.3324 11 LEU L CG 5659 C CD1 . LEU D 11 ? 1.4783 1.3136 1.2703 0.2419 0.1595 0.3467 11 LEU L CD1 5660 C CD2 . LEU D 11 ? 1.4799 1.2862 1.2426 0.2275 0.1771 0.3280 11 LEU L CD2 5661 N N . SER D 12 ? 1.2727 1.0786 1.0305 0.2473 0.1626 0.3429 12 SER L N 5662 C CA . SER D 12 ? 1.2347 1.0267 0.9894 0.2549 0.1742 0.3472 12 SER L CA 5663 C C . SER D 12 ? 1.2754 1.0610 1.0433 0.2645 0.1929 0.3524 12 SER L C 5664 O O . SER D 12 ? 1.4104 1.2126 1.2037 0.2725 0.1922 0.3638 12 SER L O 5665 C CB . SER D 12 ? 1.2063 1.0115 0.9720 0.2594 0.1608 0.3585 12 SER L CB 5666 O OG . SER D 12 ? 1.2758 1.0669 1.0385 0.2659 0.1704 0.3633 12 SER L OG 5667 N N . VAL D 13 ? 1.1550 0.9162 0.9056 0.2639 0.2098 0.3440 13 VAL L N 5668 C CA . VAL D 13 ? 1.2210 0.9723 0.9788 0.2723 0.2296 0.3466 13 VAL L CA 5669 C C . VAL D 13 ? 1.2876 1.0102 1.0295 0.2767 0.2463 0.3426 13 VAL L C 5670 O O . VAL D 13 ? 1.2410 0.9462 0.9594 0.2678 0.2462 0.3314 13 VAL L O 5671 C CB . VAL D 13 ? 1.2263 0.9776 0.9796 0.2648 0.2340 0.3393 13 VAL L CB 5672 C CG1 . VAL D 13 ? 1.2778 1.0090 1.0255 0.2705 0.2574 0.3375 13 VAL L CG1 5673 C CG2 . VAL D 13 ? 1.1658 0.9461 0.9429 0.2651 0.2219 0.3482 13 VAL L CG2 5674 N N . SER D 14 ? 1.4637 1.1818 1.2203 0.2907 0.2602 0.3522 14 SER L N 5675 C CA . SER D 14 ? 1.4671 1.1573 1.2117 0.2970 0.2762 0.3501 14 SER L CA 5676 C C . SER D 14 ? 1.5192 1.1839 1.2409 0.2919 0.2923 0.3371 14 SER L C 5677 O O . SER D 14 ? 1.6823 1.3523 1.4040 0.2875 0.2955 0.3334 14 SER L O 5678 C CB . SER D 14 ? 1.4241 1.1176 1.1940 0.3144 0.2869 0.3644 14 SER L CB 5679 O OG . SER D 14 ? 1.3817 1.1000 1.1747 0.3178 0.2702 0.3767 14 SER L OG 5680 N N . PRO D 15 ? 1.1960 0.8325 0.8979 0.2913 0.3013 0.3302 15 PRO L N 5681 C CA . PRO D 15 ? 1.2160 0.8255 0.8944 0.2853 0.3155 0.3173 15 PRO L CA 5682 C C . PRO D 15 ? 1.2791 0.8790 0.9633 0.2966 0.3369 0.3210 15 PRO L C 5683 O O . PRO D 15 ? 1.2727 0.8519 0.9557 0.3085 0.3528 0.3243 15 PRO L O 5684 C CB . PRO D 15 ? 1.0565 0.6399 0.7172 0.2846 0.3189 0.3127 15 PRO L CB 5685 C CG . PRO D 15 ? 1.0933 0.6933 0.7623 0.2834 0.3016 0.3196 15 PRO L CG 5686 C CD . PRO D 15 ? 1.1181 0.7465 0.8160 0.2930 0.2957 0.3334 15 PRO L CD 5687 N N . GLY D 16 ? 1.5174 1.1313 1.2071 0.2927 0.3377 0.3205 16 GLY L N 5688 C CA . GLY D 16 ? 1.4895 1.0972 1.1845 0.3024 0.3587 0.3249 16 GLY L CA 5689 C C . GLY D 16 ? 1.5172 1.1580 1.2454 0.3117 0.3552 0.3406 16 GLY L C 5690 O O . GLY D 16 ? 1.5246 1.1658 1.2658 0.3239 0.3732 0.3491 16 GLY L O 5691 N N . GLU D 17 ? 1.8027 1.4711 1.5448 0.3057 0.3321 0.3445 17 GLU L N 5692 C CA . GLU D 17 ? 1.8956 1.5976 1.6705 0.3126 0.3242 0.3593 17 GLU L CA 5693 C C . GLU D 17 ? 1.8181 1.5372 1.5937 0.3009 0.3172 0.3568 17 GLU L C 5694 O O . GLU D 17 ? 1.8049 1.5540 1.6058 0.3025 0.3057 0.3675 17 GLU L O 5695 C CB . GLU D 17 ? 1.9815 1.7030 1.7708 0.3125 0.3020 0.3655 17 GLU L CB 5696 C CG . GLU D 17 ? 2.0309 1.7745 1.8564 0.3273 0.3009 0.3831 17 GLU L CG 5697 C CD . GLU D 17 ? 2.0474 1.8243 1.8926 0.3216 0.2761 0.3901 17 GLU L CD 5698 O OE1 . GLU D 17 ? 2.0255 1.8237 1.9023 0.3312 0.2716 0.4043 17 GLU L OE1 5699 O OE2 . GLU D 17 ? 2.0591 1.8404 1.8891 0.3074 0.2607 0.3810 17 GLU L OE2 5700 N N . ARG D 18 ? 1.5084 1.2085 1.2568 0.2881 0.3226 0.3424 18 ARG L N 5701 C CA . ARG D 18 ? 1.4789 1.1913 1.2250 0.2750 0.3171 0.3385 18 ARG L CA 5702 C C . ARG D 18 ? 1.4084 1.1474 1.1659 0.2654 0.2899 0.3399 18 ARG L C 5703 O O . ARG D 18 ? 1.3176 1.0845 1.1015 0.2700 0.2812 0.3526 18 ARG L O 5704 C CB . ARG D 18 ? 1.4888 1.2125 1.2520 0.2837 0.3340 0.3499 18 ARG L CB 5705 C CG . ARG D 18 ? 1.4416 1.1600 1.1882 0.2696 0.3408 0.3408 18 ARG L CG 5706 C CD . ARG D 18 ? 1.4225 1.1736 1.1885 0.2614 0.3256 0.3485 18 ARG L CD 5707 N NE . ARG D 18 ? 1.4943 1.2610 1.2782 0.2668 0.3415 0.3566 18 ARG L NE 5708 C CZ . ARG D 18 ? 1.5262 1.2836 1.2940 0.2576 0.3559 0.3486 18 ARG L CZ 5709 N NH1 . ARG D 18 ? 1.5750 1.3061 1.3088 0.2424 0.3550 0.3333 18 ARG L NH1 5710 N NH2 . ARG D 18 ? 1.4816 1.2574 1.2690 0.2624 0.3700 0.3549 18 ARG L NH2 5711 N N . ALA D 19 ? 1.4905 1.1798 1.1456 0.3430 0.2807 0.2176 19 ALA L N 5712 C CA . ALA D 19 ? 1.4386 1.1401 1.1098 0.3272 0.2612 0.2169 19 ALA L CA 5713 C C . ALA D 19 ? 1.3624 1.0785 1.0465 0.3162 0.2520 0.2190 19 ALA L C 5714 O O . ALA D 19 ? 1.3257 1.0284 1.0000 0.3131 0.2584 0.2125 19 ALA L O 5715 C CB . ALA D 19 ? 1.4413 1.1166 1.0980 0.3157 0.2569 0.2028 19 ALA L CB 5716 N N . THR D 20 ? 1.2935 1.0366 0.9986 0.3093 0.2361 0.2284 20 THR L N 5717 C CA . THR D 20 ? 1.2343 0.9930 0.9518 0.2966 0.2246 0.2318 20 THR L CA 5718 C C . THR D 20 ? 1.2006 0.9620 0.9256 0.2798 0.2040 0.2287 20 THR L C 5719 O O . THR D 20 ? 1.1965 0.9698 0.9308 0.2803 0.1948 0.2345 20 THR L O 5720 C CB . THR D 20 ? 1.2209 1.0149 0.9574 0.3040 0.2243 0.2495 20 THR L CB 5721 O OG1 . THR D 20 ? 1.2936 1.1084 1.0441 0.3081 0.2165 0.2598 20 THR L OG1 5722 C CG2 . THR D 20 ? 1.2298 1.0225 0.9584 0.3221 0.2451 0.2531 20 THR L CG2 5723 N N . LEU D 21 ? 1.2166 0.9666 0.9367 0.2654 0.1969 0.2197 21 LEU L N 5724 C CA . LEU D 21 ? 1.1919 0.9404 0.9154 0.2502 0.1782 0.2150 21 LEU L CA 5725 C C . LEU D 21 ? 1.2965 1.0639 1.0333 0.2382 0.1636 0.2223 21 LEU L C 5726 O O . LEU D 21 ? 1.4441 1.2206 1.1842 0.2389 0.1692 0.2273 21 LEU L O 5727 C CB . LEU D 21 ? 1.1077 0.8273 0.8136 0.2428 0.1803 0.1982 21 LEU L CB 5728 C CG . LEU D 21 ? 1.1384 0.8370 0.8291 0.2506 0.1917 0.1898 21 LEU L CG 5729 C CD1 . LEU D 21 ? 1.1172 0.8011 0.7944 0.2612 0.2118 0.1867 21 LEU L CD1 5730 C CD2 . LEU D 21 ? 1.1934 0.8739 0.8735 0.2393 0.1849 0.1767 21 LEU L CD2 5731 N N . SER D 22 ? 1.0681 0.8407 0.8114 0.2269 0.1445 0.2229 22 SER L N 5732 C CA . SER D 22 ? 1.0160 0.8053 0.7708 0.2144 0.1283 0.2304 22 SER L CA 5733 C C . SER D 22 ? 1.0788 0.8554 0.8287 0.1994 0.1110 0.2215 22 SER L C 5734 O O . SER D 22 ? 1.1771 0.9471 0.9247 0.1980 0.1024 0.2176 22 SER L O 5735 C CB . SER D 22 ? 1.0346 0.8529 0.8071 0.2168 0.1194 0.2471 22 SER L CB 5736 O OG . SER D 22 ? 1.1110 0.9330 0.8887 0.2041 0.0973 0.2487 22 SER L OG 5737 N N . CYS D 23 ? 1.0861 0.8600 0.8344 0.1889 0.1060 0.2188 23 CYS L N 5738 C CA . CYS D 23 ? 1.0597 0.8232 0.8038 0.1752 0.0891 0.2115 23 CYS L CA 5739 C C . CYS D 23 ? 1.0279 0.8090 0.7836 0.1641 0.0717 0.2227 23 CYS L C 5740 O O . CYS D 23 ? 1.0510 0.8469 0.8137 0.1636 0.0762 0.2315 23 CYS L O 5741 C CB . CYS D 23 ? 1.1094 0.8519 0.8395 0.1714 0.0972 0.1974 23 CYS L CB 5742 S SG . CYS D 23 ? 1.4156 1.1457 1.1397 0.1561 0.0788 0.1879 23 CYS L SG 5743 N N . ARG D 24 ? 1.0641 0.8436 0.8212 0.1550 0.0516 0.2227 24 ARG L N 5744 C CA . ARG D 24 ? 1.0561 0.8498 0.8226 0.1433 0.0324 0.2336 24 ARG L CA 5745 C C . ARG D 24 ? 1.0210 0.7997 0.7806 0.1309 0.0139 0.2258 24 ARG L C 5746 O O . ARG D 24 ? 1.1625 0.9280 0.9155 0.1319 0.0087 0.2171 24 ARG L O 5747 C CB . ARG D 24 ? 1.1215 0.9344 0.8998 0.1456 0.0235 0.2468 24 ARG L CB 5748 C CG . ARG D 24 ? 1.2446 1.0679 1.0296 0.1319 -0.0001 0.2566 24 ARG L CG 5749 C CD . ARG D 24 ? 1.4557 1.3006 1.2527 0.1346 -0.0066 0.2703 24 ARG L CD 5750 N NE . ARG D 24 ? 1.6378 1.4869 1.4368 0.1208 -0.0310 0.2773 24 ARG L NE 5751 C CZ . ARG D 24 ? 1.6754 1.5457 1.4852 0.1195 -0.0397 0.2901 24 ARG L CZ 5752 N NH1 . ARG D 24 ? 1.6799 1.5718 1.5019 0.1313 -0.0260 0.2987 24 ARG L NH1 5753 N NH2 . ARG D 24 ? 1.6126 1.4824 1.4202 0.1074 -0.0613 0.2939 24 ARG L NH2 5754 N N . ALA D 25 ? 0.7968 0.5786 0.5581 0.1197 0.0043 0.2295 25 ALA L N 5755 C CA . ALA D 25 ? 0.8266 0.5945 0.5818 0.1086 -0.0123 0.2223 25 ALA L CA 5756 C C . ALA D 25 ? 0.8753 0.6523 0.6375 0.0965 -0.0372 0.2336 25 ALA L C 5757 O O . ALA D 25 ? 0.8708 0.6638 0.6398 0.0936 -0.0408 0.2465 25 ALA L O 5758 C CB . ALA D 25 ? 0.6532 0.4129 0.4021 0.1044 -0.0046 0.2154 25 ALA L CB 5759 N N . SER D 26 ? 0.9629 0.7310 0.7236 0.0903 -0.0529 0.2284 26 SER L N 5760 C CA . SER D 26 ? 1.0733 0.8540 0.8452 0.0797 -0.0751 0.2401 26 SER L CA 5761 C C . SER D 26 ? 1.1434 0.9401 0.9247 0.0714 -0.0776 0.2476 26 SER L C 5762 O O . SER D 26 ? 1.2253 1.0152 0.9840 0.0829 -0.0779 0.2481 26 SER L O 5763 C CB . SER D 26 ? 1.1550 0.9279 0.9234 0.0833 -0.0802 0.2289 26 SER L CB 5764 O OG . SER D 26 ? 1.2180 0.9701 0.9727 0.0844 -0.0736 0.2113 26 SER L OG 5765 N N . GLN D 27 ? 1.1738 0.9576 0.9462 0.0694 -0.0708 0.2412 27 GLN L N 5766 C CA . GLN D 27 ? 1.1836 0.9788 0.9582 0.0674 -0.0664 0.2455 27 GLN L CA 5767 C C . GLN D 27 ? 1.1361 0.9160 0.8969 0.0611 -0.0599 0.2440 27 GLN L C 5768 O O . GLN D 27 ? 1.1764 0.9575 0.9370 0.0739 -0.0405 0.2394 27 GLN L O 5769 C CB . GLN D 27 ? 1.2080 0.9836 0.9705 0.0617 -0.0752 0.2317 27 GLN L CB 5770 C CG . GLN D 27 ? 1.2853 1.0505 1.0433 0.0600 -0.0912 0.2214 27 GLN L CG 5771 C CD . GLN D 27 ? 1.3152 1.0610 1.0636 0.0534 -0.0993 0.2046 27 GLN L CD 5772 O OE1 . GLN D 27 ? 1.2972 1.0410 1.0443 0.0460 -0.0999 0.2030 27 GLN L OE1 5773 N NE2 . GLN D 27 ? 1.2902 1.0217 1.0307 0.0567 -0.1051 0.1920 27 GLN L NE2 5774 N N . SER D 28 ? 1.0487 0.8266 0.8025 0.0544 -0.0599 0.2448 28 SER L N 5775 C CA . SER D 28 ? 1.0409 0.8313 0.8004 0.0584 -0.0382 0.2471 28 SER L CA 5776 C C . SER D 28 ? 1.1562 0.9313 0.9092 0.0593 -0.0279 0.2332 28 SER L C 5777 O O . SER D 28 ? 1.3025 1.0717 1.0547 0.0504 -0.0381 0.2299 28 SER L O 5778 C CB . SER D 28 ? 1.0043 0.8127 0.7696 0.0508 -0.0402 0.2579 28 SER L CB 5779 O OG . SER D 28 ? 0.9088 0.7270 0.6781 0.0528 -0.0209 0.2583 28 SER L OG 5780 N N . VAL D 29 ? 1.0575 0.8270 0.8059 0.0717 -0.0061 0.2243 29 VAL L N 5781 C CA . VAL D 29 ? 0.9789 0.7309 0.7161 0.0732 0.0062 0.2093 29 VAL L CA 5782 C C . VAL D 29 ? 0.9972 0.7576 0.7349 0.0737 0.0231 0.2123 29 VAL L C 5783 O O . VAL D 29 ? 0.9782 0.7259 0.7066 0.0767 0.0377 0.2008 29 VAL L O 5784 C CB . VAL D 29 ? 0.9026 0.6402 0.6318 0.0850 0.0186 0.1963 29 VAL L CB 5785 C CG1 . VAL D 29 ? 0.8267 0.5589 0.5562 0.0852 0.0027 0.1939 29 VAL L CG1 5786 C CG2 . VAL D 29 ? 0.9606 0.7077 0.6934 0.0973 0.0372 0.2011 29 VAL L CG2 5787 N N . ALA D 30 ? 1.0820 0.8650 0.8307 0.0704 0.0207 0.2279 30 ALA L N 5788 C CA . ALA D 30 ? 1.0186 0.8154 0.7705 0.0703 0.0354 0.2329 30 ALA L CA 5789 C C . ALA D 30 ? 1.0467 0.8399 0.7939 0.0847 0.0609 0.2261 30 ALA L C 5790 O O . ALA D 30 ? 1.1397 0.9381 0.8905 0.0967 0.0686 0.2287 30 ALA L O 5791 C CB . ALA D 30 ? 0.9537 0.7419 0.6994 0.0576 0.0298 0.2284 30 ALA L CB 5792 N N . GLY D 31 ? 1.0963 0.8797 0.8348 0.0834 0.0734 0.2172 31 GLY L N 5793 C CA . GLY D 31 ? 1.1619 0.9395 0.8940 0.0959 0.0968 0.2103 31 GLY L CA 5794 C C . GLY D 31 ? 1.0756 0.8250 0.7932 0.0997 0.1032 0.1926 31 GLY L C 5795 O O . GLY D 31 ? 1.1618 0.9013 0.8715 0.1091 0.1211 0.1852 31 GLY L O 5796 N N . ASN D 32 ? 0.7699 0.5068 0.4839 0.0924 0.0879 0.1860 32 ASN L N 5797 C CA . ASN D 32 ? 0.7330 0.4464 0.4341 0.0942 0.0922 0.1696 32 ASN L CA 5798 C C . ASN D 32 ? 0.9507 0.6580 0.6506 0.1037 0.0920 0.1668 32 ASN L C 5799 O O . ASN D 32 ? 0.9924 0.6976 0.6940 0.1005 0.0764 0.1662 32 ASN L O 5800 C CB . ASN D 32 ? 0.6630 0.3669 0.3597 0.0818 0.0771 0.1629 32 ASN L CB 5801 C CG . ASN D 32 ? 0.8859 0.5962 0.5840 0.0713 0.0758 0.1663 32 ASN L CG 5802 O OD1 . ASN D 32 ? 0.9524 0.6560 0.6433 0.0704 0.0888 0.1588 32 ASN L OD1 5803 N ND2 . ASN D 32 ? 0.9416 0.6652 0.6487 0.0625 0.0593 0.1779 32 ASN L ND2 5804 N N . LEU D 33 ? 1.0269 0.7312 0.7236 0.1156 0.1091 0.1650 33 LEU L N 5805 C CA . LEU D 33 ? 0.8910 0.5892 0.5858 0.1250 0.1110 0.1620 33 LEU L CA 5806 C C . LEU D 33 ? 0.9373 0.6196 0.6203 0.1341 0.1306 0.1523 33 LEU L C 5807 O O . LEU D 33 ? 1.0317 0.7142 0.7123 0.1385 0.1447 0.1534 33 LEU L O 5808 C CB . LEU D 33 ? 0.7690 0.4863 0.4766 0.1319 0.1076 0.1764 33 LEU L CB 5809 C CG . LEU D 33 ? 0.8744 0.5873 0.5813 0.1402 0.1066 0.1744 33 LEU L CG 5810 C CD1 . LEU D 33 ? 0.9159 0.6344 0.6293 0.1334 0.0849 0.1781 33 LEU L CD1 5811 C CD2 . LEU D 33 ? 0.9528 0.6770 0.6655 0.1535 0.1187 0.1834 33 LEU L CD2 5812 N N . ALA D 34 ? 0.9069 0.5751 0.5818 0.1367 0.1309 0.1428 34 ALA L N 5813 C CA . ALA D 34 ? 0.8917 0.5429 0.5540 0.1436 0.1475 0.1334 34 ALA L CA 5814 C C . ALA D 34 ? 1.0116 0.6609 0.6732 0.1544 0.1516 0.1347 34 ALA L C 5815 O O . ALA D 34 ? 1.1090 0.7666 0.7776 0.1546 0.1396 0.1389 34 ALA L O 5816 C CB . ALA D 34 ? 0.8502 0.4849 0.5006 0.1355 0.1466 0.1198 34 ALA L CB 5817 N N . TRP D 35 ? 0.9998 0.6373 0.6523 0.1633 0.1680 0.1309 35 TRP L N 5818 C CA . TRP D 35 ? 0.9055 0.5390 0.5551 0.1735 0.1734 0.1313 35 TRP L CA 5819 C C . TRP D 35 ? 0.9093 0.5208 0.5425 0.1731 0.1820 0.1187 35 TRP L C 5820 O O . TRP D 35 ? 0.9747 0.5725 0.5977 0.1712 0.1920 0.1119 35 TRP L O 5821 C CB . TRP D 35 ? 0.9618 0.6017 0.6150 0.1866 0.1855 0.1405 35 TRP L CB 5822 C CG . TRP D 35 ? 0.9807 0.6455 0.6512 0.1887 0.1767 0.1550 35 TRP L CG 5823 C CD1 . TRP D 35 ? 1.0395 0.7198 0.7191 0.1861 0.1750 0.1636 35 TRP L CD1 5824 C CD2 . TRP D 35 ? 0.9430 0.6213 0.6237 0.1930 0.1679 0.1630 35 TRP L CD2 5825 N NE1 . TRP D 35 ? 1.0325 0.7358 0.7277 0.1882 0.1654 0.1771 35 TRP L NE1 5826 C CE2 . TRP D 35 ? 0.9512 0.6531 0.6474 0.1924 0.1607 0.1767 35 TRP L CE2 5827 C CE3 . TRP D 35 ? 0.9578 0.6311 0.6361 0.1966 0.1650 0.1603 35 TRP L CE3 5828 C CZ2 . TRP D 35 ? 0.9903 0.7102 0.6994 0.1950 0.1504 0.1875 35 TRP L CZ2 5829 C CZ3 . TRP D 35 ? 1.0578 0.7484 0.7488 0.1996 0.1551 0.1706 35 TRP L CZ3 5830 C CH2 . TRP D 35 ? 1.0911 0.8044 0.7974 0.1987 0.1477 0.1839 35 TRP L CH2 5831 N N . TYR D 36 ? 0.8322 0.4407 0.4627 0.1743 0.1777 0.1159 36 TYR L N 5832 C CA . TYR D 36 ? 0.8881 0.4780 0.5033 0.1733 0.1849 0.1054 36 TYR L CA 5833 C C . TYR D 36 ? 1.0325 0.6177 0.6431 0.1837 0.1927 0.1076 36 TYR L C 5834 O O . TYR D 36 ? 1.0190 0.6170 0.6394 0.1896 0.1874 0.1157 36 TYR L O 5835 C CB . TYR D 36 ? 0.8445 0.4334 0.4574 0.1643 0.1733 0.0988 36 TYR L CB 5836 C CG . TYR D 36 ? 0.8674 0.4576 0.4816 0.1537 0.1663 0.0951 36 TYR L CG 5837 C CD1 . TYR D 36 ? 0.9179 0.4944 0.5210 0.1471 0.1720 0.0854 36 TYR L CD1 5838 C CD2 . TYR D 36 ? 0.8180 0.4232 0.4444 0.1497 0.1531 0.1014 36 TYR L CD2 5839 C CE1 . TYR D 36 ? 0.9007 0.4789 0.5050 0.1375 0.1654 0.0821 36 TYR L CE1 5840 C CE2 . TYR D 36 ? 0.7625 0.3683 0.3893 0.1399 0.1463 0.0982 36 TYR L CE2 5841 C CZ . TYR D 36 ? 0.8543 0.4470 0.4701 0.1341 0.1528 0.0885 36 TYR L CZ 5842 O OH . TYR D 36 ? 1.0388 0.6326 0.6551 0.1245 0.1460 0.0855 36 TYR L OH 5843 N N . GLN D 37 ? 1.1374 0.7037 0.7326 0.1852 0.2045 0.1005 37 GLN L N 5844 C CA . GLN D 37 ? 1.1040 0.6632 0.6920 0.1936 0.2115 0.1016 37 GLN L CA 5845 C C . GLN D 37 ? 1.1054 0.6530 0.6823 0.1876 0.2100 0.0935 37 GLN L C 5846 O O . GLN D 37 ? 1.2429 0.7761 0.8085 0.1809 0.2144 0.0851 37 GLN L O 5847 C CB . GLN D 37 ? 1.0864 0.6318 0.6634 0.2019 0.2276 0.1018 37 GLN L CB 5848 C CG . GLN D 37 ? 1.0920 0.6266 0.6579 0.2091 0.2352 0.1020 37 GLN L CG 5849 C CD . GLN D 37 ? 1.1665 0.6829 0.7162 0.2163 0.2510 0.1009 37 GLN L CD 5850 O OE1 . GLN D 37 ? 1.2084 0.7063 0.7435 0.2099 0.2562 0.0928 37 GLN L OE1 5851 N NE2 . GLN D 37 ? 1.2151 0.7377 0.7681 0.2291 0.2575 0.1096 37 GLN L NE2 5852 N N . GLN D 38 ? 0.9187 0.4729 0.4989 0.1901 0.2036 0.0963 38 GLN L N 5853 C CA . GLN D 38 ? 0.8524 0.3968 0.4223 0.1860 0.2026 0.0900 38 GLN L CA 5854 C C . GLN D 38 ? 0.9388 0.4760 0.5016 0.1938 0.2097 0.0928 38 GLN L C 5855 O O . GLN D 38 ? 0.9736 0.5219 0.5446 0.2000 0.2051 0.0995 38 GLN L O 5856 C CB . GLN D 38 ? 0.8043 0.3608 0.3817 0.1814 0.1881 0.0899 38 GLN L CB 5857 C CG . GLN D 38 ? 0.8004 0.3476 0.3669 0.1769 0.1871 0.0833 38 GLN L CG 5858 C CD . GLN D 38 ? 0.8637 0.4221 0.4354 0.1755 0.1736 0.0840 38 GLN L CD 5859 O OE1 . GLN D 38 ? 0.7840 0.3561 0.3670 0.1790 0.1650 0.0902 38 GLN L OE1 5860 N NE2 . GLN D 38 ? 0.9249 0.4770 0.4879 0.1707 0.1715 0.0779 38 GLN L NE2 5861 N N . LYS D 39 ? 1.0814 0.5993 0.6285 0.1930 0.2203 0.0877 39 LYS L N 5862 C CA . LYS D 39 ? 1.2468 0.7549 0.7845 0.1989 0.2265 0.0896 39 LYS L CA 5863 C C . LYS D 39 ? 1.3660 0.8726 0.9004 0.1939 0.2201 0.0865 39 LYS L C 5864 O O . LYS D 39 ? 1.3657 0.8666 0.8953 0.1851 0.2176 0.0797 39 LYS L O 5865 C CB . LYS D 39 ? 1.2587 0.7451 0.7789 0.1997 0.2398 0.0860 39 LYS L CB 5866 C CG . LYS D 39 ? 1.2718 0.7583 0.7922 0.2091 0.2485 0.0913 39 LYS L CG 5867 C CD . LYS D 39 ? 1.3623 0.8342 0.8730 0.2037 0.2550 0.0864 39 LYS L CD 5868 C CE . LYS D 39 ? 1.4420 0.8941 0.9380 0.1959 0.2571 0.0812 39 LYS L CE 5869 N NZ . LYS D 39 ? 1.4154 0.8548 0.9043 0.1886 0.2604 0.0772 39 LYS L NZ 5870 N N . PRO D 40 ? 1.3840 0.8959 0.9211 0.2000 0.2175 0.0917 40 PRO L N 5871 C CA . PRO D 40 ? 1.2903 0.8031 0.8253 0.1973 0.2110 0.0904 40 PRO L CA 5872 C C . PRO D 40 ? 1.1650 0.6605 0.6859 0.1895 0.2148 0.0832 40 PRO L C 5873 O O . PRO D 40 ? 1.1371 0.6153 0.6456 0.1896 0.2242 0.0816 40 PRO L O 5874 C CB . PRO D 40 ? 1.2358 0.7493 0.7708 0.2062 0.2133 0.0971 40 PRO L CB 5875 C CG . PRO D 40 ? 1.2376 0.7617 0.7831 0.2137 0.2146 0.1036 40 PRO L CG 5876 C CD . PRO D 40 ? 1.2929 0.8107 0.8353 0.2107 0.2209 0.1000 40 PRO L CD 5877 N N . GLY D 41 ? 1.0112 0.5111 0.5336 0.1829 0.2072 0.0792 41 GLY L N 5878 C CA . GLY D 41 ? 1.0865 0.5725 0.5982 0.1750 0.2091 0.0734 41 GLY L CA 5879 C C . GLY D 41 ? 1.2599 0.7390 0.7694 0.1667 0.2110 0.0670 41 GLY L C 5880 O O . GLY D 41 ? 1.3482 0.8155 0.8499 0.1587 0.2123 0.0625 41 GLY L O 5881 N N . GLN D 42 ? 1.4937 0.9809 1.0108 0.1680 0.2104 0.0674 42 GLN L N 5882 C CA . GLN D 42 ? 1.5388 1.0198 1.0543 0.1607 0.2125 0.0618 42 GLN L CA 5883 C C . GLN D 42 ? 1.5168 1.0139 1.0444 0.1590 0.2040 0.0621 42 GLN L C 5884 O O . GLN D 42 ? 1.6045 1.1172 1.1416 0.1639 0.1968 0.0670 42 GLN L O 5885 C CB . GLN D 42 ? 1.5880 1.0586 1.0984 0.1624 0.2221 0.0624 42 GLN L CB 5886 C CG . GLN D 42 ? 1.6076 1.0595 1.1060 0.1552 0.2272 0.0589 42 GLN L CG 5887 C CD . GLN D 42 ? 1.6208 1.0631 1.1137 0.1570 0.2353 0.0601 42 GLN L CD 5888 O OE1 . GLN D 42 ? 1.5908 1.0406 1.0890 0.1655 0.2382 0.0646 42 GLN L OE1 5889 N NE2 . GLN D 42 ? 1.6458 1.0705 1.1267 0.1495 0.2392 0.0564 42 GLN L NE2 5890 N N . ALA D 43 ? 1.2680 0.7606 0.7949 0.1514 0.2042 0.0569 43 ALA L N 5891 C CA . ALA D 43 ? 1.1713 0.6773 0.7083 0.1487 0.1965 0.0570 43 ALA L CA 5892 C C . ALA D 43 ? 1.1041 0.6155 0.6474 0.1537 0.2003 0.0614 43 ALA L C 5893 O O . ALA D 43 ? 1.1212 0.6224 0.6584 0.1579 0.2105 0.0622 43 ALA L O 5894 C CB . ALA D 43 ? 1.2054 0.7045 0.7397 0.1382 0.1950 0.0502 43 ALA L CB 5895 N N . PRO D 44 ? 1.0250 0.5520 0.5800 0.1534 0.1917 0.0649 44 PRO L N 5896 C CA . PRO D 44 ? 0.8968 0.4308 0.4601 0.1578 0.1941 0.0705 44 PRO L CA 5897 C C . PRO D 44 ? 0.9313 0.4539 0.4892 0.1543 0.2029 0.0664 44 PRO L C 5898 O O . PRO D 44 ? 0.7990 0.3146 0.3524 0.1455 0.2018 0.0596 44 PRO L O 5899 C CB . PRO D 44 ? 0.8135 0.3646 0.3894 0.1550 0.1806 0.0740 44 PRO L CB 5900 C CG . PRO D 44 ? 0.8851 0.4394 0.4592 0.1540 0.1717 0.0723 44 PRO L CG 5901 C CD . PRO D 44 ? 1.0269 0.5659 0.5878 0.1504 0.1785 0.0650 44 PRO L CD 5902 N N . ARG D 45 ? 1.1105 0.6314 0.6688 0.1618 0.2115 0.0709 45 ARG L N 5903 C CA . ARG D 45 ? 1.1553 0.6656 0.7084 0.1604 0.2201 0.0680 45 ARG L CA 5904 C C . ARG D 45 ? 1.0863 0.6123 0.6531 0.1622 0.2161 0.0748 45 ARG L C 5905 O O . ARG D 45 ? 1.0684 0.6080 0.6451 0.1700 0.2139 0.0836 45 ARG L O 5906 C CB . ARG D 45 ? 1.3295 0.8269 0.8732 0.1671 0.2315 0.0694 45 ARG L CB 5907 C CG . ARG D 45 ? 1.5161 1.0032 1.0560 0.1620 0.2366 0.0669 45 ARG L CG 5908 C CD . ARG D 45 ? 1.6279 1.1037 1.1612 0.1484 0.2335 0.0590 45 ARG L CD 5909 N NE . ARG D 45 ? 1.7182 1.1805 1.2439 0.1450 0.2396 0.0570 45 ARG L NE 5910 C CZ . ARG D 45 ? 1.7354 1.1965 1.2636 0.1393 0.2392 0.0546 45 ARG L CZ 5911 N NH1 . ARG D 45 ? 1.7154 1.1878 1.2530 0.1360 0.2332 0.0539 45 ARG L NH1 5912 N NH2 . ARG D 45 ? 1.6975 1.1446 1.2169 0.1370 0.2449 0.0528 45 ARG L NH2 5913 N N . LEU D 46 ? 1.0582 0.5831 0.6263 0.1544 0.2145 0.0713 46 LEU L N 5914 C CA . LEU D 46 ? 1.0715 0.6115 0.6521 0.1546 0.2106 0.0782 46 LEU L CA 5915 C C . LEU D 46 ? 0.9674 0.5044 0.5469 0.1655 0.2225 0.0839 46 LEU L C 5916 O O . LEU D 46 ? 0.9251 0.4433 0.4922 0.1675 0.2337 0.0788 46 LEU L O 5917 C CB . LEU D 46 ? 1.0909 0.6304 0.6722 0.1427 0.2058 0.0730 46 LEU L CB 5918 C CG . LEU D 46 ? 0.9791 0.5343 0.5723 0.1414 0.2018 0.0805 46 LEU L CG 5919 C CD1 . LEU D 46 ? 1.0023 0.5778 0.6092 0.1415 0.1884 0.0889 46 LEU L CD1 5920 C CD2 . LEU D 46 ? 0.9018 0.4542 0.4934 0.1297 0.1992 0.0747 46 LEU L CD2 5921 N N . LEU D 47 ? 0.8421 0.3970 0.4342 0.1730 0.2197 0.0949 47 LEU L N 5922 C CA . LEU D 47 ? 0.9747 0.5304 0.5671 0.1853 0.2309 0.1022 47 LEU L CA 5923 C C . LEU D 47 ? 1.0843 0.6543 0.6871 0.1829 0.2288 0.1086 47 LEU L C 5924 O O . LEU D 47 ? 1.1192 0.6788 0.7150 0.1833 0.2375 0.1058 47 LEU L O 5925 C CB . LEU D 47 ? 1.0235 0.5916 0.6234 0.1967 0.2305 0.1117 47 LEU L CB 5926 C CG . LEU D 47 ? 1.0236 0.5794 0.6130 0.2015 0.2347 0.1079 47 LEU L CG 5927 C CD1 . LEU D 47 ? 1.0252 0.5957 0.6242 0.2130 0.2341 0.1187 47 LEU L CD1 5928 C CD2 . LEU D 47 ? 1.0319 0.5618 0.6009 0.2055 0.2498 0.1004 47 LEU L CD2 5929 N N . ILE D 48 ? 1.0978 0.6913 0.7168 0.1799 0.2166 0.1175 48 ILE L N 5930 C CA . ILE D 48 ? 1.1449 0.7564 0.7751 0.1770 0.2132 0.1260 48 ILE L CA 5931 C C . ILE D 48 ? 1.1805 0.8006 0.8173 0.1614 0.1976 0.1240 48 ILE L C 5932 O O . ILE D 48 ? 1.2624 0.8842 0.9018 0.1566 0.1862 0.1220 48 ILE L O 5933 C CB . ILE D 48 ? 0.9082 0.5422 0.5523 0.1873 0.2120 0.1411 48 ILE L CB 5934 C CG1 . ILE D 48 ? 0.7536 0.3854 0.3933 0.2021 0.2287 0.1461 48 ILE L CG1 5935 C CG2 . ILE D 48 ? 0.8876 0.5465 0.5479 0.1784 0.1980 0.1509 48 ILE L CG2 5936 C CD1 . ILE D 48 ? 0.8156 0.4243 0.4401 0.2136 0.2416 0.1397 48 ILE L CD1 5937 N N . TYR D 49 ? 1.1985 0.8233 0.8369 0.1538 0.1972 0.1243 49 TYR L N 5938 C CA . TYR D 49 ? 1.2227 0.8585 0.8687 0.1401 0.1818 0.1252 49 TYR L CA 5939 C C . TYR D 49 ? 1.1041 0.7601 0.7607 0.1374 0.1798 0.1364 49 TYR L C 5940 O O . TYR D 49 ? 1.1132 0.7710 0.7680 0.1438 0.1924 0.1392 49 TYR L O 5941 C CB . TYR D 49 ? 1.2672 0.8869 0.9027 0.1291 0.1805 0.1118 49 TYR L CB 5942 C CG . TYR D 49 ? 1.2647 0.8756 0.8927 0.1266 0.1915 0.1066 49 TYR L CG 5943 C CD1 . TYR D 49 ? 1.2588 0.8488 0.8736 0.1327 0.2052 0.0986 49 TYR L CD1 5944 C CD2 . TYR D 49 ? 1.2974 0.9197 0.9307 0.1175 0.1872 0.1096 49 TYR L CD2 5945 C CE1 . TYR D 49 ? 1.2947 0.8747 0.9022 0.1301 0.2138 0.0936 49 TYR L CE1 5946 C CE2 . TYR D 49 ? 1.3047 0.9196 0.9313 0.1148 0.1966 0.1045 49 TYR L CE2 5947 C CZ . TYR D 49 ? 1.3349 0.9282 0.9486 0.1213 0.2097 0.0963 49 TYR L CZ 5948 O OH . TYR D 49 ? 1.4165 1.0005 1.0228 0.1183 0.2177 0.0912 49 TYR L OH 5949 N N . GLY D 50 ? 0.9023 0.5733 0.5694 0.1280 0.1637 0.1429 50 GLY L N 5950 C CA . GLY D 50 ? 0.8419 0.5348 0.5202 0.1242 0.1598 0.1553 50 GLY L CA 5951 C C . GLY D 50 ? 0.7917 0.5027 0.4801 0.1363 0.1643 0.1690 50 GLY L C 5952 O O . GLY D 50 ? 0.7385 0.4690 0.4349 0.1374 0.1676 0.1796 50 GLY L O 5953 N N . ALA D 51 ? 0.8198 0.5260 0.5081 0.1455 0.1647 0.1688 51 ALA L N 5954 C CA . ALA D 51 ? 0.9614 0.6846 0.6596 0.1577 0.1678 0.1814 51 ALA L CA 5955 C C . ALA D 51 ? 1.0880 0.8139 0.7832 0.1718 0.1873 0.1850 51 ALA L C 5956 O O . ALA D 51 ? 1.1583 0.8938 0.8587 0.1850 0.1929 0.1933 51 ALA L O 5957 C CB . ALA D 51 ? 0.9442 0.6943 0.6593 0.1507 0.1516 0.1964 51 ALA L CB 5958 N N . SER D 52 ? 1.0920 0.8091 0.7783 0.1697 0.1974 0.1786 52 SER L N 5959 C CA . SER D 52 ? 1.1154 0.8344 0.7976 0.1833 0.2152 0.1817 52 SER L CA 5960 C C . SER D 52 ? 1.1498 0.8369 0.8124 0.1867 0.2286 0.1665 52 SER L C 5961 O O . SER D 52 ? 1.0838 0.7556 0.7371 0.2009 0.2403 0.1639 52 SER L O 5962 C CB . SER D 52 ? 1.0741 0.8183 0.7659 0.1785 0.2151 0.1914 52 SER L CB 5963 O OG . SER D 52 ? 1.0049 0.7795 0.7151 0.1749 0.2023 0.2069 52 SER L OG 5964 N N . THR D 53 ? 1.3285 1.0053 0.9847 0.1734 0.2258 0.1568 53 THR L N 5965 C CA . THR D 53 ? 1.3110 0.9582 0.9495 0.1735 0.2360 0.1424 53 THR L CA 5966 C C . THR D 53 ? 1.2281 0.8509 0.8562 0.1757 0.2362 0.1327 53 THR L C 5967 O O . THR D 53 ? 1.2727 0.8999 0.9065 0.1698 0.2245 0.1325 53 THR L O 5968 C CB . THR D 53 ? 1.2155 0.8597 0.8515 0.1567 0.2303 0.1345 53 THR L CB 5969 O OG1 . THR D 53 ? 1.2169 0.8343 0.8401 0.1505 0.2297 0.1200 53 THR L OG1 5970 C CG2 . THR D 53 ? 1.0175 0.6848 0.6680 0.1439 0.2138 0.1418 53 THR L CG2 5971 N N . ARG D 54 ? 1.0712 0.6680 0.6835 0.1840 0.2489 0.1249 54 ARG L N 5972 C CA . ARG D 54 ? 1.1100 0.6843 0.7115 0.1868 0.2505 0.1167 54 ARG L CA 5973 C C . ARG D 54 ? 1.1162 0.6646 0.7037 0.1761 0.2511 0.1023 54 ARG L C 5974 O O . ARG D 54 ? 1.0604 0.6000 0.6419 0.1718 0.2555 0.0984 54 ARG L O 5975 C CB . ARG D 54 ? 1.1586 0.7220 0.7525 0.2057 0.2635 0.1207 54 ARG L CB 5976 C CG . ARG D 54 ? 1.2039 0.7362 0.7790 0.2119 0.2764 0.1138 54 ARG L CG 5977 C CD . ARG D 54 ? 1.2928 0.8117 0.8587 0.2315 0.2881 0.1182 54 ARG L CD 5978 N NE . ARG D 54 ? 1.3390 0.8742 0.9114 0.2459 0.2953 0.1307 54 ARG L NE 5979 C CZ . ARG D 54 ? 1.4133 0.9335 0.9749 0.2534 0.3046 0.1323 54 ARG L CZ 5980 N NH1 . ARG D 54 ? 1.3686 0.8572 0.9128 0.2451 0.3060 0.1229 54 ARG L NH1 5981 N NH2 . ARG D 54 ? 1.4774 1.0178 1.0459 0.2669 0.3107 0.1441 54 ARG L NH2 5982 N N . ALA D 55 ? 1.2309 0.7688 0.8136 0.1713 0.2462 0.0949 55 ALA L N 5983 C CA . ALA D 55 ? 1.2235 0.7419 0.7956 0.1593 0.2444 0.0823 55 ALA L CA 5984 C C . ALA D 55 ? 1.3572 0.8443 0.9115 0.1640 0.2564 0.0762 55 ALA L C 5985 O O . ALA D 55 ? 1.4235 0.9042 0.9730 0.1767 0.2654 0.0815 55 ALA L O 5986 C CB . ALA D 55 ? 1.0901 0.6092 0.6625 0.1536 0.2358 0.0775 55 ALA L CB 5987 N N . THR D 56 ? 1.2946 0.7684 0.8419 0.1504 0.2529 0.0669 56 THR L N 5988 C CA . THR D 56 ? 1.2913 0.7472 0.8272 0.1460 0.2571 0.0635 56 THR L CA 5989 C C . THR D 56 ? 1.2597 0.7087 0.7891 0.1488 0.2581 0.0631 56 THR L C 5990 O O . THR D 56 ? 1.2839 0.7385 0.8159 0.1445 0.2521 0.0601 56 THR L O 5991 C CB . THR D 56 ? 1.3427 0.7916 0.8752 0.1288 0.2514 0.0548 56 THR L CB 5992 O OG1 . THR D 56 ? 1.4222 0.8832 0.9635 0.1232 0.2451 0.0530 56 THR L OG1 5993 C CG2 . THR D 56 ? 1.2877 0.7209 0.8100 0.1266 0.2578 0.0541 56 THR L CG2 5994 N N . GLY D 57 ? 1.3430 0.7784 0.8622 0.1564 0.2661 0.0664 57 GLY L N 5995 C CA . GLY D 57 ? 1.4534 0.8787 0.9631 0.1589 0.2681 0.0656 57 GLY L CA 5996 C C . GLY D 57 ? 1.4436 0.8795 0.9571 0.1742 0.2722 0.0727 57 GLY L C 5997 O O . GLY D 57 ? 1.3867 0.8162 0.8910 0.1780 0.2754 0.0727 57 GLY L O 5998 N N . ILE D 58 ? 1.3929 0.8458 0.9187 0.1828 0.2726 0.0792 58 ILE L N 5999 C CA . ILE D 58 ? 1.3612 0.8272 0.8924 0.1975 0.2762 0.0874 58 ILE L CA 6000 C C . ILE D 58 ? 1.4015 0.8634 0.9282 0.2127 0.2862 0.0956 58 ILE L C 6001 O O . ILE D 58 ? 1.3265 0.7888 0.8554 0.2165 0.2896 0.0998 58 ILE L O 6002 C CB . ILE D 58 ? 1.2751 0.7625 0.8217 0.2003 0.2716 0.0917 58 ILE L CB 6003 C CG1 . ILE D 58 ? 1.2223 0.7125 0.7716 0.1868 0.2613 0.0841 58 ILE L CG1 6004 C CG2 . ILE D 58 ? 1.2346 0.7365 0.7874 0.2160 0.2754 0.1014 58 ILE L CG2 6005 C CD1 . ILE D 58 ? 1.1650 0.6509 0.7086 0.1845 0.2588 0.0811 58 ILE L CD1 6006 N N . PRO D 59 ? 1.4696 0.9278 0.9879 0.2216 0.2916 0.0985 59 PRO L N 6007 C CA . PRO D 59 ? 1.5147 0.9704 1.0275 0.2381 0.3013 0.1069 59 PRO L CA 6008 C C . PRO D 59 ? 1.5191 0.9970 1.0483 0.2518 0.3035 0.1183 59 PRO L C 6009 O O . PRO D 59 ? 1.5220 1.0188 1.0653 0.2496 0.2982 0.1197 59 PRO L O 6010 C CB . PRO D 59 ? 1.5689 1.0234 1.0682 0.2415 0.3053 0.1099 59 PRO L CB 6011 C CG . PRO D 59 ? 1.5717 1.0152 1.0653 0.2256 0.2983 0.1000 59 PRO L CG 6012 C CD . PRO D 59 ? 1.4789 0.9333 0.9896 0.2157 0.2888 0.0944 59 PRO L CD 6013 N N . ALA D 60 ? 1.4460 0.9209 0.9720 0.2662 0.3110 0.1282 60 ALA L N 6014 C CA . ALA D 60 ? 1.3245 0.8233 0.8648 0.2793 0.3150 0.1394 60 ALA L CA 6015 C C . ALA D 60 ? 1.3197 0.8432 0.8715 0.2948 0.3181 0.1494 60 ALA L C 6016 O O . ALA D 60 ? 1.2928 0.8391 0.8577 0.3078 0.3218 0.1612 60 ALA L O 6017 C CB . ALA D 60 ? 1.2241 0.7122 0.7537 0.2871 0.3230 0.1458 60 ALA L CB 6018 N N . ARG D 61 ? 1.3016 0.8229 0.8471 0.2933 0.3175 0.1461 61 ARG L N 6019 C CA . ARG D 61 ? 1.3934 0.9368 0.9487 0.3059 0.3194 0.1565 61 ARG L CA 6020 C C . ARG D 61 ? 1.4068 0.9737 0.9827 0.3033 0.3122 0.1595 61 ARG L C 6021 O O . ARG D 61 ? 1.4158 1.0097 1.0077 0.3149 0.3130 0.1716 61 ARG L O 6022 C CB . ARG D 61 ? 1.4573 0.9881 0.9991 0.3035 0.3192 0.1533 61 ARG L CB 6023 C CG . ARG D 61 ? 1.4931 0.9925 1.0102 0.2935 0.3210 0.1446 61 ARG L CG 6024 C CD . ARG D 61 ? 1.4503 0.9389 0.9598 0.2862 0.3168 0.1388 61 ARG L CD 6025 N NE . ARG D 61 ? 1.4741 0.9368 0.9660 0.2715 0.3150 0.1285 61 ARG L NE 6026 C CZ . ARG D 61 ? 1.4029 0.8547 0.8879 0.2624 0.3106 0.1219 61 ARG L CZ 6027 N NH1 . ARG D 61 ? 1.2972 0.7602 0.7902 0.2663 0.3076 0.1242 61 ARG L NH1 6028 N NH2 . ARG D 61 ? 1.4363 0.8667 0.9063 0.2495 0.3094 0.1136 61 ARG L NH2 6029 N N . PHE D 62 ? 1.3228 0.8807 0.8982 0.2870 0.3042 0.1492 62 PHE L N 6030 C CA . PHE D 62 ? 1.3010 0.8821 0.8963 0.2749 0.2889 0.1520 62 PHE L CA 6031 C C . PHE D 62 ? 1.3219 0.9244 0.9321 0.2711 0.2844 0.1597 62 PHE L C 6032 O O . PHE D 62 ? 1.3231 0.9134 0.9261 0.2655 0.2874 0.1537 62 PHE L O 6033 C CB . PHE D 62 ? 1.3380 0.9034 0.9263 0.2570 0.2800 0.1386 62 PHE L CB 6034 C CG . PHE D 62 ? 1.3726 0.9204 0.9461 0.2576 0.2833 0.1317 62 PHE L CG 6035 C CD1 . PHE D 62 ? 1.3366 0.8964 0.9164 0.2648 0.2809 0.1389 62 PHE L CD1 6036 C CD2 . PHE D 62 ? 1.3577 0.8811 0.9147 0.2468 0.2841 0.1198 62 PHE L CD2 6037 C CE1 . PHE D 62 ? 1.2888 0.8337 0.8549 0.2642 0.2830 0.1336 62 PHE L CE1 6038 C CE2 . PHE D 62 ? 1.2827 0.7946 0.8290 0.2436 0.2833 0.1158 62 PHE L CE2 6039 C CZ . PHE D 62 ? 1.2543 0.7750 0.8027 0.2538 0.2848 0.1222 62 PHE L CZ 6040 N N . SER D 63 ? 1.4344 1.0701 1.0653 0.2728 0.2763 0.1733 63 SER L N 6041 C CA . SER D 63 ? 1.4398 1.1017 1.0855 0.2679 0.2715 0.1826 63 SER L CA 6042 C C . SER D 63 ? 1.4020 1.0911 1.0678 0.2547 0.2526 0.1899 63 SER L C 6043 O O . SER D 63 ? 1.4578 1.1646 1.1356 0.2599 0.2469 0.1993 63 SER L O 6044 C CB . SER D 63 ? 1.4874 1.1664 1.1375 0.2869 0.2836 0.1956 63 SER L CB 6045 O OG . SER D 63 ? 1.5610 1.2719 1.2276 0.2810 0.2778 0.2062 63 SER L OG 6046 N N . GLY D 64 ? 1.3245 1.0159 0.9933 0.2374 0.2422 0.1856 64 GLY L N 6047 C CA . GLY D 64 ? 1.2917 1.0049 0.9770 0.2240 0.2233 0.1920 64 GLY L CA 6048 C C . GLY D 64 ? 1.2485 0.9953 0.9506 0.2237 0.2197 0.2077 64 GLY L C 6049 O O . GLY D 64 ? 1.3167 1.0696 1.0169 0.2301 0.2314 0.2111 64 GLY L O 6050 N N . SER D 65 ? 1.0790 0.8480 0.7973 0.2158 0.2030 0.2174 65 SER L N 6051 C CA . SER D 65 ? 1.0313 0.8356 0.7675 0.2138 0.1973 0.2340 65 SER L CA 6052 C C . SER D 65 ? 1.0305 0.8501 0.7803 0.1986 0.1744 0.2404 65 SER L C 6053 O O . SER D 65 ? 1.1118 0.9194 0.8598 0.1949 0.1641 0.2350 65 SER L O 6054 C CB . SER D 65 ? 1.1055 0.9301 0.8499 0.2326 0.2080 0.2468 65 SER L CB 6055 O OG . SER D 65 ? 1.1614 1.0245 0.9263 0.2291 0.1987 0.2642 65 SER L OG 6056 N N . GLY D 66 ? 1.0408 0.8868 0.8036 0.1896 0.1662 0.2521 66 GLY L N 6057 C CA . GLY D 66 ? 1.0346 0.8966 0.8105 0.1756 0.1438 0.2605 66 GLY L CA 6058 C C . GLY D 66 ? 1.0261 0.8804 0.7988 0.1567 0.1303 0.2555 66 GLY L C 6059 O O . GLY D 66 ? 0.9890 0.8225 0.7485 0.1534 0.1376 0.2432 66 GLY L O 6060 N N . SER D 67 ? 1.1618 1.0324 0.9463 0.1439 0.1099 0.2652 67 SER L N 6061 C CA . SER D 67 ? 1.1912 1.0537 0.9727 0.1258 0.0939 0.2615 67 SER L CA 6062 C C . SER D 67 ? 1.2076 1.0794 0.9985 0.1149 0.0695 0.2698 67 SER L C 6063 O O . SER D 67 ? 1.2923 1.1867 1.0964 0.1188 0.0653 0.2822 67 SER L O 6064 C CB . SER D 67 ? 1.2121 1.0914 0.9978 0.1192 0.0985 0.2677 67 SER L CB 6065 O OG . SER D 67 ? 1.2624 1.1333 1.0449 0.1015 0.0823 0.2647 67 SER L OG 6066 N N . GLY D 68 ? 0.9931 0.8467 0.7764 0.1014 0.0532 0.2626 68 GLY L N 6067 C CA . GLY D 68 ? 1.0313 0.8880 0.8197 0.0904 0.0285 0.2685 68 GLY L CA 6068 C C . GLY D 68 ? 1.1471 0.9868 0.9298 0.0957 0.0218 0.2613 68 GLY L C 6069 O O . GLY D 68 ? 1.2700 1.0843 1.0399 0.0971 0.0237 0.2468 68 GLY L O 6070 N N . THR D 69 ? 1.0478 0.9037 0.8408 0.0983 0.0141 0.2714 69 THR L N 6071 C CA . THR D 69 ? 1.0364 0.8783 0.8246 0.1022 0.0059 0.2658 69 THR L CA 6072 C C . THR D 69 ? 0.9433 0.7848 0.7314 0.1193 0.0253 0.2624 69 THR L C 6073 O O . THR D 69 ? 0.8135 0.6358 0.5928 0.1239 0.0256 0.2517 69 THR L O 6074 C CB . THR D 69 ? 1.1520 1.0063 0.9481 0.0944 -0.0158 0.2765 69 THR L CB 6075 O OG1 . THR D 69 ? 1.2915 1.1799 1.1049 0.0947 -0.0122 0.2925 69 THR L OG1 6076 C CG2 . THR D 69 ? 1.0911 0.9293 0.8780 0.0792 -0.0382 0.2727 69 THR L CG2 6077 N N . GLU D 70 ? 1.1882 1.0511 0.9858 0.1291 0.0415 0.2716 70 GLU L N 6078 C CA . GLU D 70 ? 1.1405 1.0033 0.9374 0.1464 0.0599 0.2698 70 GLU L CA 6079 C C . GLU D 70 ? 1.1569 1.0103 0.9452 0.1562 0.0833 0.2623 70 GLU L C 6080 O O . GLU D 70 ? 1.2685 1.1347 1.0605 0.1547 0.0903 0.2678 70 GLU L O 6081 C CB . GLU D 70 ? 1.1293 1.0239 0.9432 0.1533 0.0605 0.2865 70 GLU L CB 6082 C CG . GLU D 70 ? 1.2362 1.1317 1.0537 0.1542 0.0480 0.2889 70 GLU L CG 6083 C CD . GLU D 70 ? 1.4228 1.3270 1.2467 0.1380 0.0223 0.2963 70 GLU L CD 6084 O OE1 . GLU D 70 ? 1.5696 1.4785 1.3977 0.1380 0.0112 0.3006 70 GLU L OE1 6085 O OE2 . GLU D 70 ? 1.3831 1.2881 1.2067 0.1253 0.0130 0.2975 70 GLU L OE2 6086 N N . PHE D 71 ? 0.9759 0.8067 0.7520 0.1658 0.0951 0.2498 71 PHE L N 6087 C CA . PHE D 71 ? 1.0130 0.8300 0.7780 0.1754 0.1169 0.2412 71 PHE L CA 6088 C C . PHE D 71 ? 1.1890 1.0038 0.9519 0.1929 0.1321 0.2412 71 PHE L C 6089 O O . PHE D 71 ? 1.3101 1.1360 1.0814 0.1971 0.1257 0.2481 71 PHE L O 6090 C CB . PHE D 71 ? 0.9764 0.7637 0.7253 0.1682 0.1167 0.2238 71 PHE L CB 6091 C CG . PHE D 71 ? 1.0350 0.8217 0.7839 0.1521 0.1034 0.2226 71 PHE L CG 6092 C CD1 . PHE D 71 ? 1.0031 0.7892 0.7550 0.1406 0.0816 0.2233 71 PHE L CD1 6093 C CD2 . PHE D 71 ? 1.1011 0.8865 0.8459 0.1486 0.1123 0.2205 71 PHE L CD2 6094 C CE1 . PHE D 71 ? 0.9867 0.7705 0.7375 0.1264 0.0689 0.2224 71 PHE L CE1 6095 C CE2 . PHE D 71 ? 1.1066 0.8914 0.8513 0.1337 0.0998 0.2196 71 PHE L CE2 6096 C CZ . PHE D 71 ? 1.0435 0.8270 0.7910 0.1228 0.0781 0.2207 71 PHE L CZ 6097 N N . THR D 72 ? 1.2540 1.0531 1.0048 0.2028 0.1516 0.2332 72 THR L N 6098 C CA . THR D 72 ? 1.2305 1.0247 0.9770 0.2202 0.1668 0.2331 72 THR L CA 6099 C C . THR D 72 ? 1.2212 0.9860 0.9481 0.2266 0.1843 0.2189 72 THR L C 6100 O O . THR D 72 ? 1.2318 0.9875 0.9513 0.2214 0.1895 0.2131 72 THR L O 6101 C CB . THR D 72 ? 0.9667 0.7908 0.7270 0.2326 0.1742 0.2500 72 THR L CB 6102 O OG1 . THR D 72 ? 0.9069 0.7405 0.6746 0.2410 0.1714 0.2563 72 THR L OG1 6103 C CG2 . THR D 72 ? 1.0594 0.8765 0.8099 0.2472 0.1966 0.2483 72 THR L CG2 6104 N N . LEU D 73 ? 1.2239 0.9735 0.9421 0.2369 0.1925 0.2133 73 LEU L N 6105 C CA . LEU D 73 ? 1.2226 0.9438 0.9213 0.2436 0.2090 0.2009 73 LEU L CA 6106 C C . LEU D 73 ? 1.3828 1.1044 1.0781 0.2632 0.2247 0.2065 73 LEU L C 6107 O O . LEU D 73 ? 1.4361 1.1696 1.1396 0.2697 0.2213 0.2135 73 LEU L O 6108 C CB . LEU D 73 ? 1.0510 0.7490 0.7382 0.2356 0.2037 0.1869 73 LEU L CB 6109 C CG . LEU D 73 ? 1.0122 0.6804 0.6784 0.2400 0.2188 0.1738 73 LEU L CG 6110 C CD1 . LEU D 73 ? 1.0966 0.7544 0.7544 0.2361 0.2266 0.1685 73 LEU L CD1 6111 C CD2 . LEU D 73 ? 0.9559 0.6076 0.6133 0.2312 0.2120 0.1622 73 LEU L CD2 6112 N N . THR D 74 ? 1.3587 1.0664 1.0411 0.2727 0.2417 0.2031 74 THR L N 6113 C CA . THR D 74 ? 1.3213 1.0284 0.9984 0.2930 0.2577 0.2088 74 THR L CA 6114 C C . THR D 74 ? 1.3993 1.0701 1.0509 0.2992 0.2727 0.1955 74 THR L C 6115 O O . THR D 74 ? 1.4774 1.1284 1.1162 0.2932 0.2774 0.1857 74 THR L O 6116 C CB . THR D 74 ? 1.4142 1.1452 1.1008 0.3033 0.2652 0.2220 74 THR L CB 6117 O OG1 . THR D 74 ? 1.4137 1.1811 1.1232 0.3044 0.2549 0.2378 74 THR L OG1 6118 C CG2 . THR D 74 ? 1.4548 1.1725 1.1265 0.3247 0.2860 0.2225 74 THR L CG2 6119 N N . ILE D 75 ? 1.4605 1.1228 1.1042 0.3096 0.2790 0.1953 75 ILE L N 6120 C CA . ILE D 75 ? 1.4183 1.0481 1.0355 0.3164 0.2941 0.1852 75 ILE L CA 6121 C C . ILE D 75 ? 1.4406 1.0748 1.0520 0.3376 0.3088 0.1948 75 ILE L C 6122 O O . ILE D 75 ? 1.3605 1.0083 0.9798 0.3445 0.3063 0.2025 75 ILE L O 6123 C CB . ILE D 75 ? 1.2705 0.8827 0.8778 0.3072 0.2884 0.1755 75 ILE L CB 6124 C CG1 . ILE D 75 ? 1.1565 0.7729 0.7741 0.2881 0.2714 0.1693 75 ILE L CG1 6125 C CG2 . ILE D 75 ? 1.3087 0.8867 0.8864 0.3082 0.3017 0.1646 75 ILE L CG2 6126 C CD1 . ILE D 75 ? 1.1515 0.7549 0.7617 0.2801 0.2651 0.1611 75 ILE L CD1 6127 N N . THR D 76 ? 1.7917 1.2686 1.3969 0.2867 0.3867 0.2855 76 THR L N 6128 C CA . THR D 76 ? 1.8926 1.3611 1.5116 0.3054 0.4147 0.2958 76 THR L CA 6129 C C . THR D 76 ? 2.0093 1.4713 1.6376 0.3154 0.4172 0.2981 76 THR L C 6130 O O . THR D 76 ? 2.0984 1.5839 1.7646 0.3280 0.4164 0.3119 76 THR L O 6131 C CB . THR D 76 ? 1.9203 1.3462 1.4988 0.3083 0.4409 0.2873 76 THR L CB 6132 O OG1 . THR D 76 ? 1.9218 1.3086 1.4549 0.2986 0.4338 0.2695 76 THR L OG1 6133 C CG2 . THR D 76 ? 1.9171 1.3496 1.4892 0.3020 0.4437 0.2880 76 THR L CG2 6134 N N . SER D 77 ? 2.0578 1.4857 1.6523 0.3098 0.4188 0.2848 77 SER L N 6135 C CA . SER D 77 ? 1.9756 1.3947 1.5753 0.3165 0.4205 0.2860 77 SER L CA 6136 C C . SER D 77 ? 1.9368 1.3547 1.5259 0.3013 0.4004 0.2770 77 SER L C 6137 O O . SER D 77 ? 2.0797 1.4708 1.6405 0.2890 0.3982 0.2638 77 SER L O 6138 C CB . SER D 77 ? 1.9247 1.3007 1.4993 0.3257 0.4454 0.2806 77 SER L CB 6139 O OG . SER D 77 ? 1.8942 1.2322 1.4274 0.3137 0.4443 0.2644 77 SER L OG 6140 N N . LEU D 78 ? 1.5767 1.0204 1.1880 0.3031 0.3860 0.2844 78 LEU L N 6141 C CA . LEU D 78 ? 1.5165 0.9600 1.1199 0.2905 0.3709 0.2780 78 LEU L CA 6142 C C . LEU D 78 ? 1.5560 0.9615 1.1396 0.2871 0.3835 0.2698 78 LEU L C 6143 O O . LEU D 78 ? 1.5882 0.9690 1.1638 0.2962 0.4012 0.2696 78 LEU L O 6144 C CB . LEU D 78 ? 1.4493 0.9213 1.0729 0.2963 0.3552 0.2881 78 LEU L CB 6145 C CG . LEU D 78 ? 1.3052 0.8133 0.9455 0.2927 0.3330 0.2924 78 LEU L CG 6146 C CD1 . LEU D 78 ? 1.2241 0.7485 0.8729 0.2982 0.3157 0.2990 78 LEU L CD1 6147 C CD2 . LEU D 78 ? 1.1628 0.6699 0.7886 0.2748 0.3238 0.2810 78 LEU L CD2 6148 N N . GLN D 79 ? 1.5798 0.9799 1.1578 0.2743 0.3751 0.2637 79 GLN L N 6149 C CA . GLN D 79 ? 1.6460 1.0101 1.2115 0.2688 0.3865 0.2566 79 GLN L CA 6150 C C . GLN D 79 ? 1.7045 1.0742 1.2765 0.2623 0.3817 0.2587 79 GLN L C 6151 O O . GLN D 79 ? 1.6366 1.0357 1.2177 0.2652 0.3694 0.2657 79 GLN L O 6152 C CB . GLN D 79 ? 1.5894 0.9228 1.1365 0.2563 0.3867 0.2428 79 GLN L CB 6153 C CG . GLN D 79 ? 1.5381 0.8263 1.0698 0.2581 0.4017 0.2354 79 GLN L CG 6154 C CD . GLN D 79 ? 1.5446 0.8096 1.0525 0.2642 0.4076 0.2291 79 GLN L CD 6155 O OE1 . GLN D 79 ? 1.5559 0.8422 1.0653 0.2739 0.4105 0.2362 79 GLN L OE1 6156 N NE2 . GLN D 79 ? 1.5158 0.7345 1.0019 0.2589 0.4093 0.2153 79 GLN L NE2 6157 N N . SER D 80 ? 1.7938 1.1325 1.3608 0.2542 0.3922 0.2527 80 SER L N 6158 C CA . SER D 80 ? 1.8296 1.1674 1.4023 0.2477 0.3943 0.2549 80 SER L CA 6159 C C . SER D 80 ? 1.9317 1.2867 1.5096 0.2355 0.3813 0.2510 80 SER L C 6160 O O . SER D 80 ? 2.0036 1.3792 1.5843 0.2372 0.3752 0.2569 80 SER L O 6161 C CB . SER D 80 ? 1.8760 1.1749 1.4491 0.2399 0.4102 0.2490 80 SER L CB 6162 O OG . SER D 80 ? 1.9373 1.2160 1.5032 0.2500 0.4205 0.2499 80 SER L OG 6163 N N . GLU D 81 ? 2.0124 1.3546 1.5883 0.2241 0.3760 0.2405 81 GLU L N 6164 C CA . GLU D 81 ? 1.9772 1.3279 1.5588 0.2109 0.3643 0.2352 81 GLU L CA 6165 C C . GLU D 81 ? 1.8231 1.2121 1.4034 0.2145 0.3451 0.2392 81 GLU L C 6166 O O . GLU D 81 ? 1.8359 1.2373 1.4199 0.2058 0.3332 0.2365 81 GLU L O 6167 C CB . GLU D 81 ? 2.0163 1.3313 1.5957 0.1978 0.3619 0.2208 81 GLU L CB 6168 C CG . GLU D 81 ? 2.0282 1.3265 1.6299 0.1823 0.3656 0.2118 81 GLU L CG 6169 C CD . GLU D 81 ? 2.0517 1.3245 1.6638 0.1830 0.3876 0.2155 81 GLU L CD 6170 O OE1 . GLU D 81 ? 2.1407 1.4053 1.7413 0.1937 0.3955 0.2194 81 GLU L OE1 6171 O OE2 . GLU D 81 ? 1.9471 1.2113 1.5825 0.1723 0.3970 0.2134 81 GLU L OE2 6172 N N . ASP D 82 ? 1.5920 0.9987 1.1705 0.2275 0.3426 0.2458 82 ASP L N 6173 C CA . ASP D 82 ? 1.5402 0.9805 1.1230 0.2303 0.3250 0.2491 82 ASP L CA 6174 C C . ASP D 82 ? 1.4241 0.8977 1.0174 0.2368 0.3118 0.2580 82 ASP L C 6175 O O . ASP D 82 ? 1.3458 0.8481 0.9473 0.2395 0.2952 0.2618 82 ASP L O 6176 C CB . ASP D 82 ? 1.6414 1.0829 1.2229 0.2409 0.3306 0.2525 82 ASP L CB 6177 C CG . ASP D 82 ? 1.7472 1.1550 1.3090 0.2348 0.3381 0.2420 82 ASP L CG 6178 O OD1 . ASP D 82 ? 1.7618 1.1386 1.3136 0.2240 0.3402 0.2323 82 ASP L OD1 6179 O OD2 . ASP D 82 ? 1.8091 1.2176 1.3650 0.2415 0.3423 0.2435 82 ASP L OD2 6180 N N . PHE D 83 ? 1.5366 1.0026 1.1277 0.2395 0.3189 0.2613 83 PHE L N 6181 C CA . PHE D 83 ? 1.5293 1.0173 1.1210 0.2465 0.3058 0.2682 83 PHE L CA 6182 C C . PHE D 83 ? 1.4332 0.9239 1.0217 0.2354 0.3003 0.2632 83 PHE L C 6183 O O . PHE D 83 ? 1.4960 0.9660 1.0793 0.2308 0.3157 0.2616 83 PHE L O 6184 C CB . PHE D 83 ? 1.5693 1.0433 1.1530 0.2586 0.3166 0.2757 83 PHE L CB 6185 C CG . PHE D 83 ? 1.5946 1.0693 1.1835 0.2723 0.3186 0.2827 83 PHE L CG 6186 C CD1 . PHE D 83 ? 1.5768 1.0757 1.1751 0.2842 0.3007 0.2907 83 PHE L CD1 6187 C CD2 . PHE D 83 ? 1.5441 0.9936 1.1310 0.2738 0.3382 0.2814 83 PHE L CD2 6188 C CE1 . PHE D 83 ? 1.5245 1.0233 1.1329 0.2974 0.3040 0.2981 83 PHE L CE1 6189 C CE2 . PHE D 83 ? 1.4870 0.9361 1.0797 0.2876 0.3418 0.2882 83 PHE L CE2 6190 C CZ . PHE D 83 ? 1.4705 0.9446 1.0754 0.2994 0.3256 0.2970 83 PHE L CZ 6191 N N . ALA D 84 ? 1.2758 0.7911 0.8690 0.2315 0.2797 0.2613 84 ALA L N 6192 C CA . ALA D 84 ? 1.2628 0.7810 0.8534 0.2216 0.2733 0.2564 84 ALA L CA 6193 C C . ALA D 84 ? 1.2496 0.8006 0.8443 0.2234 0.2457 0.2575 84 ALA L C 6194 O O . ALA D 84 ? 1.3448 0.9161 0.9451 0.2344 0.2318 0.2640 84 ALA L O 6195 C CB . ALA D 84 ? 1.1835 0.6788 0.7762 0.2059 0.2821 0.2468 84 ALA L CB 6196 N N . VAL D 85 ? 1.0039 0.5577 0.5979 0.2127 0.2371 0.2512 85 VAL L N 6197 C CA . VAL D 85 ? 0.9838 0.5670 0.5816 0.2131 0.2094 0.2511 85 VAL L CA 6198 C C . VAL D 85 ? 1.0035 0.5910 0.6066 0.2028 0.1982 0.2454 85 VAL L C 6199 O O . VAL D 85 ? 1.0006 0.5740 0.6086 0.1882 0.2044 0.2303 85 VAL L O 6200 C CB . VAL D 85 ? 1.0368 0.6193 0.6261 0.2107 0.2058 0.2483 85 VAL L CB 6201 C CG1 . VAL D 85 ? 1.0030 0.6163 0.5933 0.2183 0.1763 0.2502 85 VAL L CG1 6202 C CG2 . VAL D 85 ? 0.9899 0.5494 0.5682 0.2154 0.2311 0.2514 85 VAL L CG2 6203 N N . TYR D 86 ? 1.0496 0.6654 0.6629 0.2061 0.1766 0.2487 86 TYR L N 6204 C CA . TYR D 86 ? 1.0380 0.6604 0.6562 0.1958 0.1653 0.2419 86 TYR L CA 6205 C C . TYR D 86 ? 0.8725 0.5252 0.5007 0.1913 0.1348 0.2383 86 TYR L C 6206 O O . TYR D 86 ? 1.0452 0.7193 0.6817 0.2023 0.1202 0.2491 86 TYR L O 6207 C CB . TYR D 86 ? 1.0766 0.6994 0.7003 0.2032 0.1746 0.2509 86 TYR L CB 6208 C CG . TYR D 86 ? 1.1062 0.6999 0.7214 0.2063 0.2022 0.2506 86 TYR L CG 6209 C CD1 . TYR D 86 ? 1.0817 0.6443 0.6813 0.1962 0.2136 0.2398 86 TYR L CD1 6210 C CD2 . TYR D 86 ? 1.1179 0.7138 0.7411 0.2192 0.2133 0.2587 86 TYR L CD2 6211 C CE1 . TYR D 86 ? 1.1428 0.6746 0.7328 0.2003 0.2375 0.2403 86 TYR L CE1 6212 C CE2 . TYR D 86 ? 1.1503 0.7195 0.7661 0.2225 0.2371 0.2581 86 TYR L CE2 6213 C CZ . TYR D 86 ? 1.2150 0.7534 0.8154 0.2129 0.2494 0.2488 86 TYR L CZ 6214 O OH . TYR D 86 ? 1.2692 0.7791 0.8622 0.2168 0.2712 0.2477 86 TYR L OH 6215 N N . TYR D 87 ? 0.8859 0.5397 0.5161 0.1745 0.1221 0.2208 87 TYR L N 6216 C CA . TYR D 87 ? 1.0068 0.6866 0.6461 0.1684 0.0919 0.2151 87 TYR L CA 6217 C C . TYR D 87 ? 0.9679 0.6501 0.6076 0.1593 0.0809 0.2113 87 TYR L C 6218 O O . TYR D 87 ? 1.0381 0.6958 0.6657 0.1535 0.0945 0.2052 87 TYR L O 6219 C CB . TYR D 87 ? 1.0067 0.6857 0.6492 0.1566 0.0830 0.1969 87 TYR L CB 6220 C CG . TYR D 87 ? 0.9264 0.5994 0.5657 0.1646 0.0978 0.2002 87 TYR L CG 6221 C CD1 . TYR D 87 ? 0.9433 0.6322 0.5781 0.1776 0.0869 0.2099 87 TYR L CD1 6222 C CD2 . TYR D 87 ? 0.8943 0.5421 0.5336 0.1597 0.1227 0.1935 87 TYR L CD2 6223 C CE1 . TYR D 87 ? 1.0049 0.6817 0.6279 0.1864 0.1029 0.2137 87 TYR L CE1 6224 C CE2 . TYR D 87 ? 1.0694 0.7084 0.7042 0.1667 0.1405 0.1981 87 TYR L CE2 6225 C CZ . TYR D 87 ? 1.1062 0.7582 0.7291 0.1805 0.1317 0.2086 87 TYR L CZ 6226 O OH . TYR D 87 ? 1.1424 0.7791 0.7520 0.1891 0.1517 0.2140 87 TYR L OH 6227 N N . CYS D 88 ? 0.8402 0.5484 0.4911 0.1589 0.0562 0.2150 88 CYS L N 6228 C CA . CYS D 88 ? 0.8112 0.5197 0.4600 0.1489 0.0446 0.2113 88 CYS L CA 6229 C C . CYS D 88 ? 0.8592 0.5784 0.5102 0.1359 0.0143 0.1954 88 CYS L C 6230 O O . CYS D 88 ? 0.9066 0.6485 0.5702 0.1391 -0.0042 0.1953 88 CYS L O 6231 C CB . CYS D 88 ? 0.8094 0.5375 0.4750 0.1582 0.0432 0.2305 88 CYS L CB 6232 S SG . CYS D 88 ? 1.3283 1.0948 1.0220 0.1691 0.0147 0.2417 88 CYS L SG 6233 N N . GLN D 89 ? 0.9527 0.6519 0.5886 0.1225 0.0078 0.1813 89 GLN L N 6234 C CA . GLN D 89 ? 0.9521 0.6580 0.5901 0.1099 -0.0232 0.1650 89 GLN L CA 6235 C C . GLN D 89 ? 0.9123 0.6162 0.5407 0.1033 -0.0383 0.1677 89 GLN L C 6236 O O . GLN D 89 ? 0.9552 0.6294 0.5590 0.1000 -0.0261 0.1668 89 GLN L O 6237 C CB . GLN D 89 ? 0.9218 0.6016 0.5520 0.0987 -0.0249 0.1419 89 GLN L CB 6238 C CG . GLN D 89 ? 0.9027 0.5832 0.5342 0.0852 -0.0585 0.1230 89 GLN L CG 6239 C CD . GLN D 89 ? 0.9999 0.6431 0.6184 0.0741 -0.0629 0.1009 89 GLN L CD 6240 O OE1 . GLN D 89 ? 1.0371 0.6566 0.6506 0.0759 -0.0408 0.0980 89 GLN L OE1 6241 N NE2 . GLN D 89 ? 1.0685 0.7037 0.6818 0.0630 -0.0939 0.0845 89 GLN L NE2 6242 N N . GLN D 90 ? 0.7735 0.5057 0.4185 0.1021 -0.0643 0.1711 90 GLN L N 6243 C CA . GLN D 90 ? 0.8682 0.5969 0.5049 0.0938 -0.0810 0.1724 90 GLN L CA 6244 C C . GLN D 90 ? 0.9537 0.6611 0.5721 0.0795 -0.1045 0.1487 90 GLN L C 6245 O O . GLN D 90 ? 0.9380 0.6483 0.5655 0.0762 -0.1144 0.1323 90 GLN L O 6246 C CB . GLN D 90 ? 0.8309 0.5968 0.4963 0.0978 -0.1025 0.1851 90 GLN L CB 6247 C CG . GLN D 90 ? 0.8428 0.6315 0.5235 0.0960 -0.1334 0.1729 90 GLN L CG 6248 C CD . GLN D 90 ? 0.8387 0.6208 0.5106 0.0815 -0.1643 0.1564 90 GLN L CD 6249 O OE1 . GLN D 90 ? 0.7404 0.5059 0.3967 0.0738 -0.1677 0.1590 90 GLN L OE1 6250 N NE2 . GLN D 90 ? 0.9164 0.7090 0.5971 0.0783 -0.1858 0.1392 90 GLN L NE2 6251 N N . TYR D 91 ? 0.7801 0.6465 0.6671 -0.0407 -0.0466 0.2513 91 TYR L N 6252 C CA . TYR D 91 ? 0.7649 0.6140 0.6327 -0.0433 -0.0534 0.2405 91 TYR L CA 6253 C C . TYR D 91 ? 0.8694 0.7148 0.7435 -0.0492 -0.0571 0.2455 91 TYR L C 6254 O O . TYR D 91 ? 0.9842 0.8189 0.8471 -0.0460 -0.0429 0.2460 91 TYR L O 6255 C CB . TYR D 91 ? 0.6683 0.5038 0.5169 -0.0374 -0.0389 0.2319 91 TYR L CB 6256 C CG . TYR D 91 ? 0.8613 0.6973 0.7107 -0.0325 -0.0158 0.2368 91 TYR L CG 6257 C CD1 . TYR D 91 ? 0.8808 0.7017 0.7146 -0.0305 -0.0097 0.2356 91 TYR L CD1 6258 C CD2 . TYR D 91 ? 0.8838 0.7325 0.7456 -0.0289 -0.0013 0.2416 91 TYR L CD2 6259 C CE1 . TYR D 91 ? 0.8292 0.6468 0.6584 -0.0260 0.0097 0.2388 91 TYR L CE1 6260 C CE2 . TYR D 91 ? 0.7667 0.6163 0.6301 -0.0261 0.0177 0.2435 91 TYR L CE2 6261 C CZ . TYR D 91 ? 0.7636 0.5977 0.6104 -0.0252 0.0228 0.2418 91 TYR L CZ 6262 O OH . TYR D 91 ? 0.8077 0.6431 0.6549 -0.0223 0.0398 0.2435 91 TYR L OH 6263 N N . ASN D 92 ? 0.8308 0.6822 0.7215 -0.0568 -0.0763 0.2502 92 ASN L N 6264 C CA . ASN D 92 ? 0.8785 0.7242 0.7782 -0.0633 -0.0810 0.2560 92 ASN L CA 6265 C C . ASN D 92 ? 1.1365 0.9752 1.0325 -0.0701 -0.1074 0.2476 92 ASN L C 6266 O O . ASN D 92 ? 1.2903 1.1127 1.1679 -0.0709 -0.1115 0.2392 92 ASN L O 6267 C CB . ASN D 92 ? 0.7859 0.6470 0.7235 -0.0681 -0.0774 0.2740 92 ASN L CB 6268 C CG . ASN D 92 ? 0.9725 0.8267 0.9108 -0.0651 -0.0517 0.2822 92 ASN L CG 6269 O OD1 . ASN D 92 ? 1.0760 0.9176 0.9854 -0.0568 -0.0338 0.2758 92 ASN L OD1 6270 N ND2 . ASN D 92 ? 1.0226 0.8821 0.9941 -0.0715 -0.0500 0.2966 92 ASN L ND2 6271 N N . ASN D 93 ? 1.3173 1.1662 1.2286 -0.0738 -0.1270 0.2493 93 ASN L N 6272 C CA . ASN D 93 ? 1.3906 1.2314 1.2961 -0.0791 -0.1534 0.2391 93 ASN L CA 6273 C C . ASN D 93 ? 1.1345 0.9635 1.0078 -0.0733 -0.1554 0.2208 93 ASN L C 6274 O O . ASN D 93 ? 1.0006 0.8324 0.8633 -0.0653 -0.1438 0.2188 93 ASN L O 6275 C CB . ASN D 93 ? 1.5916 1.4438 1.5224 -0.0826 -0.1767 0.2461 93 ASN L CB 6276 C CG . ASN D 93 ? 1.7271 1.5881 1.7008 -0.0912 -0.1804 0.2647 93 ASN L CG 6277 O OD1 . ASN D 93 ? 1.7611 1.6173 1.7533 -0.0996 -0.2006 0.2662 93 ASN L OD1 6278 N ND2 . ASN D 93 ? 1.7527 1.6258 1.7463 -0.0891 -0.1595 0.2790 93 ASN L ND2 6279 N N . TRP D 94 ? 0.9176 0.7320 0.7782 -0.0774 -0.1690 0.2085 94 TRP L N 6280 C CA . TRP D 94 ? 0.8472 0.6480 0.6832 -0.0735 -0.1741 0.1911 94 TRP L CA 6281 C C . TRP D 94 ? 0.9444 0.7479 0.7780 -0.0709 -0.1890 0.1866 94 TRP L C 6282 O O . TRP D 94 ? 0.9808 0.7888 0.8285 -0.0759 -0.2086 0.1884 94 TRP L O 6283 C CB . TRP D 94 ? 0.8734 0.6575 0.7001 -0.0787 -0.1860 0.1798 94 TRP L CB 6284 C CG . TRP D 94 ? 0.8452 0.6141 0.6540 -0.0772 -0.1976 0.1618 94 TRP L CG 6285 C CD1 . TRP D 94 ? 0.7907 0.5548 0.5995 -0.0809 -0.2176 0.1526 94 TRP L CD1 6286 C CD2 . TRP D 94 ? 0.9141 0.6677 0.7045 -0.0713 -0.1901 0.1510 94 TRP L CD2 6287 N NE1 . TRP D 94 ? 0.8490 0.5965 0.6394 -0.0771 -0.2207 0.1370 94 TRP L NE1 6288 C CE2 . TRP D 94 ? 0.9128 0.6525 0.6930 -0.0716 -0.2051 0.1365 94 TRP L CE2 6289 C CE3 . TRP D 94 ? 1.0466 0.7943 0.8297 -0.0656 -0.1732 0.1521 94 TRP L CE3 6290 C CZ2 . TRP D 94 ? 1.0355 0.7608 0.8073 -0.0661 -0.1984 0.1201 94 TRP L CZ2 6291 C CZ3 . TRP D 94 ? 1.0972 0.8330 0.8756 -0.0602 -0.1676 0.1332 94 TRP L CZ3 6292 C CH2 . TRP D 94 ? 1.0982 0.8238 0.8737 -0.0606 -0.1788 0.1174 94 TRP L CH2 6293 N N . PRO D 95 ? 1.0744 0.8723 0.8892 -0.0617 -0.1799 0.1810 95 PRO L N 6294 C CA . PRO D 95 ? 1.1149 0.9052 0.9179 -0.0562 -0.1582 0.1796 95 PRO L CA 6295 C C . PRO D 95 ? 1.0827 0.8886 0.8976 -0.0519 -0.1378 0.1942 95 PRO L C 6296 O O . PRO D 95 ? 1.0707 0.8901 0.8950 -0.0486 -0.1397 0.2036 95 PRO L O 6297 C CB . PRO D 95 ? 1.1143 0.8896 0.8956 -0.0481 -0.1575 0.1714 95 PRO L CB 6298 C CG . PRO D 95 ? 1.1065 0.8805 0.8833 -0.0489 -0.1804 0.1648 95 PRO L CG 6299 C CD . PRO D 95 ? 1.0618 0.8555 0.8633 -0.0552 -0.1918 0.1745 95 PRO L CD 6300 N N . PRO D 96 A 0.9277 0.7300 0.7417 -0.0508 -0.1202 0.1950 95 PRO L N 6301 C CA . PRO D 96 A 0.8175 0.6336 0.6434 -0.0467 -0.0991 0.2074 95 PRO L CA 6302 C C . PRO D 96 A 0.7974 0.6130 0.6177 -0.0379 -0.0821 0.2096 95 PRO L C 6303 O O . PRO D 96 A 0.7662 0.5886 0.5941 -0.0340 -0.0620 0.2164 95 PRO L O 6304 C CB . PRO D 96 A 0.6682 0.4741 0.4884 -0.0477 -0.0905 0.2040 95 PRO L CB 6305 C CG . PRO D 96 A 0.6172 0.4001 0.4194 -0.0486 -0.1014 0.1881 95 PRO L CG 6306 C CD . PRO D 96 A 0.8110 0.5931 0.6116 -0.0526 -0.1221 0.1828 95 PRO L CD 6307 N N . TRP D 97 ? 0.8059 0.6110 0.6117 -0.0338 -0.0881 0.2044 96 TRP L N 6308 C CA . TRP D 97 ? 0.7577 0.5604 0.5592 -0.0228 -0.0662 0.2041 96 TRP L CA 6309 C C . TRP D 97 ? 0.7480 0.5529 0.5377 -0.0145 -0.0726 0.2132 96 TRP L C 6310 O O . TRP D 97 ? 0.7144 0.5080 0.4891 -0.0034 -0.0596 0.2092 96 TRP L O 6311 C CB . TRP D 97 ? 0.7417 0.5274 0.5391 -0.0194 -0.0555 0.1839 96 TRP L CB 6312 C CG . TRP D 97 ? 0.9013 0.6843 0.7110 -0.0233 -0.0488 0.1734 96 TRP L CG 6313 C CD1 . TRP D 97 ? 0.9112 0.7005 0.7330 -0.0204 -0.0297 0.1768 96 TRP L CD1 6314 C CD2 . TRP D 97 ? 0.8639 0.6351 0.6725 -0.0288 -0.0634 0.1565 96 TRP L CD2 6315 N NE1 . TRP D 97 ? 0.8124 0.5933 0.6381 -0.0226 -0.0329 0.1621 96 TRP L NE1 6316 C CE2 . TRP D 97 ? 0.7366 0.5062 0.5542 -0.0275 -0.0538 0.1497 96 TRP L CE2 6317 C CE3 . TRP D 97 ? 0.9470 0.7077 0.7470 -0.0337 -0.0846 0.1458 96 TRP L CE3 6318 C CZ2 . TRP D 97 ? 0.7686 0.5253 0.5846 -0.0294 -0.0665 0.1325 96 TRP L CZ2 6319 C CZ3 . TRP D 97 ? 1.0690 0.8184 0.8706 -0.0371 -0.0954 0.1299 96 TRP L CZ3 6320 C CH2 . TRP D 97 ? 1.0044 0.7514 0.8128 -0.0342 -0.0871 0.1233 96 TRP L CH2 6321 N N . THR D 98 ? 0.7663 0.5873 0.5672 -0.0171 -0.0897 0.2201 97 THR L N 6322 C CA . THR D 98 ? 0.7050 0.5313 0.4993 -0.0071 -0.0987 0.2267 97 THR L CA 6323 C C . THR D 98 ? 0.7215 0.5579 0.5242 0.0009 -0.0768 0.2390 97 THR L C 6324 O O . THR D 98 ? 0.7674 0.6159 0.5920 -0.0052 -0.0642 0.2436 97 THR L O 6325 C CB . THR D 98 ? 0.7614 0.6011 0.5742 -0.0143 -0.1268 0.2285 97 THR L CB 6326 O OG1 . THR D 98 ? 0.8845 0.7140 0.6910 -0.0222 -0.1457 0.2158 97 THR L OG1 6327 C CG2 . THR D 98 ? 0.7041 0.5475 0.5103 -0.0023 -0.1417 0.2333 97 THR L CG2 6328 N N . PHE D 99 ? 0.8298 0.6583 0.6117 0.0160 -0.0713 0.2433 98 PHE L N 6329 C CA . PHE D 99 ? 0.8606 0.6942 0.6468 0.0244 -0.0505 0.2528 98 PHE L CA 6330 C C . PHE D 99 ? 0.9815 0.8232 0.7665 0.0343 -0.0679 0.2613 98 PHE L C 6331 O O . PHE D 99 ? 1.0397 0.8799 0.8150 0.0382 -0.0950 0.2586 98 PHE L O 6332 C CB . PHE D 99 ? 0.8755 0.6900 0.6407 0.0337 -0.0251 0.2503 98 PHE L CB 6333 C CG . PHE D 99 ? 0.8086 0.6244 0.5929 0.0264 -0.0001 0.2442 98 PHE L CG 6334 C CD1 . PHE D 99 ? 0.9259 0.7554 0.7330 0.0251 0.0203 0.2458 98 PHE L CD1 6335 C CD2 . PHE D 99 ? 0.8232 0.6250 0.6033 0.0228 0.0021 0.2355 98 PHE L CD2 6336 C CE1 . PHE D 99 ? 0.9922 0.8216 0.8167 0.0210 0.0408 0.2383 98 PHE L CE1 6337 C CE2 . PHE D 99 ? 0.8059 0.6063 0.6055 0.0182 0.0222 0.2254 98 PHE L CE2 6338 C CZ . PHE D 99 ? 0.8954 0.7086 0.7157 0.0187 0.0420 0.2300 98 PHE L CZ 6339 N N . GLY D 100 ? 0.6406 0.4916 0.4383 0.0383 -0.0540 0.2699 99 GLY L N 6340 C CA . GLY D 100 ? 0.7940 0.6502 0.5897 0.0505 -0.0696 0.2789 99 GLY L CA 6341 C C . GLY D 100 ? 0.7895 0.6235 0.5474 0.0668 -0.0585 0.2783 99 GLY L C 6342 O O . GLY D 100 ? 0.7137 0.5399 0.4659 0.0652 -0.0314 0.2735 99 GLY L O 6343 N N . GLN D 101 ? 1.0981 0.9256 0.8368 0.0820 -0.0798 0.2827 100 GLN L N 6344 C CA . GLN D 101 ? 1.2309 1.0435 0.9388 0.0961 -0.0706 0.2835 100 GLN L CA 6345 C C . GLN D 101 ? 1.1127 0.9322 0.8346 0.0990 -0.0354 0.2881 100 GLN L C 6346 O O . GLN D 101 ? 1.0657 0.8734 0.7708 0.1080 -0.0092 0.2846 100 GLN L O 6347 C CB . GLN D 101 ? 1.3914 1.2016 1.0824 0.1110 -0.1044 0.2879 100 GLN L CB 6348 C CG . GLN D 101 ? 1.5590 1.3877 1.2679 0.1065 -0.1418 0.2862 100 GLN L CG 6349 C CD . GLN D 101 ? 1.7063 1.5467 1.4327 0.1231 -0.1585 0.2869 100 GLN L CD 6350 O OE1 . GLN D 101 ? 1.8014 1.6517 1.5578 0.1136 -0.1465 0.2965 100 GLN L OE1 6351 N NE2 . GLN D 101 ? 1.6811 1.5385 1.4235 0.1247 -0.1944 0.2804 100 GLN L NE2 6352 N N . GLY D 102 ? 1.0568 0.8967 0.8130 0.0926 -0.0331 0.2955 101 GLY L N 6353 C CA . GLY D 102 ? 1.1114 0.9621 0.8876 0.0932 -0.0012 0.2991 101 GLY L CA 6354 C C . GLY D 102 ? 1.0247 0.8820 0.8047 0.1062 -0.0073 0.3107 101 GLY L C 6355 O O . GLY D 102 ? 0.9032 0.7511 0.6614 0.1191 -0.0357 0.3145 101 GLY L O 6356 N N . THR D 103 ? 1.0569 0.9305 0.8657 0.1035 0.0174 0.3152 102 THR L N 6357 C CA . THR D 103 ? 1.0923 0.9735 0.9089 0.1158 0.0165 0.3269 102 THR L CA 6358 C C . THR D 103 ? 1.0601 0.9381 0.8747 0.1236 0.0520 0.3253 102 THR L C 6359 O O . THR D 103 ? 1.0797 0.9676 0.9184 0.1135 0.0784 0.3185 102 THR L O 6360 C CB . THR D 103 ? 1.1147 1.0246 0.9797 0.1057 0.0116 0.3369 102 THR L CB 6361 O OG1 . THR D 103 ? 1.1946 1.1107 1.0703 0.1008 -0.0217 0.3400 102 THR L OG1 6362 C CG2 . THR D 103 ? 1.1005 1.0192 0.9776 0.1188 0.0133 0.3495 102 THR L CG2 6363 N N . LYS D 104 ? 0.9280 0.7031 0.9914 0.1801 0.3063 0.3410 103 LYS L N 6364 C CA . LYS D 104 ? 0.9029 0.6813 0.9665 0.1789 0.3034 0.3415 103 LYS L CA 6365 C C . LYS D 104 ? 0.9282 0.7057 0.9881 0.1768 0.3021 0.3395 103 LYS L C 6366 O O . LYS D 104 ? 1.0464 0.8223 1.1060 0.1755 0.3040 0.3370 103 LYS L O 6367 C CB . LYS D 104 ? 1.0022 0.7831 1.0701 0.1787 0.3047 0.3412 103 LYS L CB 6368 C CG . LYS D 104 ? 1.0944 0.8786 1.1627 0.1770 0.3021 0.3412 103 LYS L CG 6369 C CD . LYS D 104 ? 1.1256 0.9127 1.1947 0.1779 0.2989 0.3442 103 LYS L CD 6370 C CE . LYS D 104 ? 1.0494 0.8398 1.1194 0.1762 0.2965 0.3444 103 LYS L CE 6371 N NZ . LYS D 104 ? 0.9931 0.7865 1.0643 0.1770 0.2932 0.3474 103 LYS L NZ 6372 N N . VAL D 105 ? 0.8530 0.6314 0.9102 0.1766 0.2986 0.3406 104 VAL L N 6373 C CA . VAL D 105 ? 0.9866 0.7641 1.0401 0.1748 0.2971 0.3389 104 VAL L CA 6374 C C . VAL D 105 ? 1.0673 0.8478 1.1217 0.1733 0.2946 0.3389 104 VAL L C 6375 O O . VAL D 105 ? 0.9577 0.7408 1.0134 0.1738 0.2920 0.3411 104 VAL L O 6376 C CB . VAL D 105 ? 0.9493 0.7251 0.9982 0.1754 0.2949 0.3399 104 VAL L CB 6377 C CG1 . VAL D 105 ? 0.8622 0.6348 0.9096 0.1764 0.2976 0.3394 104 VAL L CG1 6378 C CG2 . VAL D 105 ? 0.9783 0.7561 1.0275 0.1769 0.2919 0.3428 104 VAL L CG2 6379 N N . ASP D 106 ? 1.2422 1.0222 1.2960 0.1714 0.2954 0.3364 105 ASP L N 6380 C CA . ASP D 106 ? 1.2615 1.0440 1.3159 0.1697 0.2933 0.3361 105 ASP L CA 6381 C C . ASP D 106 ? 1.1959 0.9769 1.2459 0.1681 0.2915 0.3343 105 ASP L C 6382 O O . ASP D 106 ? 1.1094 0.8876 1.1561 0.1683 0.2923 0.3333 105 ASP L O 6383 C CB . ASP D 106 ? 1.3453 1.1291 1.4036 0.1690 0.2958 0.3348 105 ASP L CB 6384 C CG . ASP D 106 ? 1.4099 1.1907 1.4678 0.1687 0.2994 0.3321 105 ASP L CG 6385 O OD1 . ASP D 106 ? 1.4142 1.1925 1.4686 0.1679 0.2995 0.3306 105 ASP L OD1 6386 O OD2 . ASP D 106 ? 1.4283 1.2094 1.4896 0.1691 0.3022 0.3317 105 ASP L OD2 6387 N N . ILE D 107 ? 1.0932 0.8762 1.1433 0.1666 0.2892 0.3341 106 ILE L N 6388 C CA . ILE D 107 ? 0.9986 0.7804 1.0446 0.1651 0.2872 0.3326 106 ILE L CA 6389 C C . ILE D 107 ? 1.0380 0.8180 1.0834 0.1636 0.2898 0.3295 106 ILE L C 6390 O O . ILE D 107 ? 1.1129 0.8941 1.1612 0.1627 0.2913 0.3284 106 ILE L O 6391 C CB . ILE D 107 ? 0.8714 0.6557 0.9176 0.1639 0.2834 0.3336 106 ILE L CB 6392 C CG1 . ILE D 107 ? 0.7593 0.5452 0.8059 0.1652 0.2804 0.3368 106 ILE L CG1 6393 C CG2 . ILE D 107 ? 0.8550 0.6378 0.8968 0.1624 0.2814 0.3319 106 ILE L CG2 6394 C CD1 . ILE D 107 ? 0.7579 0.5460 0.8043 0.1641 0.2763 0.3380 106 ILE L CD1 6395 N N . LYS D 108 ? 1.1518 0.9289 1.1934 0.1635 0.2905 0.3280 107 LYS L N 6396 C CA . LYS D 108 ? 1.1686 0.9439 1.2094 0.1622 0.2929 0.3251 107 LYS L CA 6397 C C . LYS D 108 ? 1.1066 0.8826 1.1460 0.1603 0.2909 0.3237 107 LYS L C 6398 O O . LYS D 108 ? 1.1240 0.9001 1.1603 0.1599 0.2876 0.3243 107 LYS L O 6399 C CB . LYS D 108 ? 1.2268 0.9991 1.2640 0.1627 0.2941 0.3242 107 LYS L CB 6400 C CG . LYS D 108 ? 1.2700 1.0402 1.3058 0.1613 0.2961 0.3213 107 LYS L CG 6401 C CD . LYS D 108 ? 1.2676 1.0376 1.3074 0.1609 0.2996 0.3197 107 LYS L CD 6402 C CE . LYS D 108 ? 1.2587 1.0264 1.2972 0.1597 0.3019 0.3169 107 LYS L CE 6403 N NZ . LYS D 108 ? 1.2287 0.9939 1.2645 0.1604 0.3031 0.3168 107 LYS L NZ 6404 N N . ARG D 109 ? 1.0277 0.8041 1.0695 0.1591 0.2929 0.3218 108 ARG L N 6405 C CA . ARG D 109 ? 1.0265 0.8032 1.0670 0.1572 0.2915 0.3201 108 ARG L CA 6406 C C . ARG D 109 ? 1.1114 0.8867 1.1530 0.1562 0.2948 0.3173 108 ARG L C 6407 O O . ARG D 109 ? 1.1233 0.8972 1.1665 0.1570 0.2980 0.3167 108 ARG L O 6408 C CB . ARG D 109 ? 0.8611 0.6410 0.9039 0.1566 0.2890 0.3216 108 ARG L CB 6409 C CG . ARG D 109 ? 0.8149 0.5969 0.8626 0.1574 0.2909 0.3227 108 ARG L CG 6410 C CD . ARG D 109 ? 0.8330 0.6177 0.8832 0.1561 0.2900 0.3227 108 ARG L CD 6411 N NE . ARG D 109 ? 0.8378 0.6212 0.8877 0.1547 0.2920 0.3197 108 ARG L NE 6412 C CZ . ARG D 109 ? 0.8677 0.6526 0.9185 0.1532 0.2912 0.3190 108 ARG L CZ 6413 N NH1 . ARG D 109 ? 0.8903 0.6783 0.9426 0.1528 0.2884 0.3211 108 ARG L NH1 6414 N NH2 . ARG D 109 ? 0.8256 0.6090 0.8758 0.1521 0.2931 0.3163 108 ARG L NH2 6415 N N . THR D 110 ? 1.1225 0.8979 1.1632 0.1545 0.2939 0.3156 109 THR L N 6416 C CA . THR D 110 ? 1.1260 0.8999 1.1674 0.1535 0.2968 0.3127 109 THR L CA 6417 C C . THR D 110 ? 1.1930 0.9679 1.2390 0.1541 0.2996 0.3127 109 THR L C 6418 O O . THR D 110 ? 1.2082 0.9858 1.2569 0.1545 0.2987 0.3146 109 THR L O 6419 C CB . THR D 110 ? 1.1300 0.9042 1.1697 0.1516 0.2949 0.3112 109 THR L CB 6420 O OG1 . THR D 110 ? 1.1693 0.9464 1.2115 0.1511 0.2934 0.3124 109 THR L OG1 6421 C CG2 . THR D 110 ? 1.1028 0.8760 1.1378 0.1512 0.2918 0.3114 109 THR L CG2 6422 N N . VAL D 111 ? 1.1670 0.9398 1.2139 0.1541 0.3030 0.3107 110 VAL L N 6423 C CA . VAL D 111 ? 1.0868 0.8599 1.1378 0.1548 0.3059 0.3105 110 VAL L CA 6424 C C . VAL D 111 ? 1.0977 0.8731 1.1506 0.1539 0.3053 0.3102 110 VAL L C 6425 O O . VAL D 111 ? 1.0654 0.8403 1.1169 0.1523 0.3049 0.3082 110 VAL L O 6426 C CB . VAL D 111 ? 1.0098 0.7797 1.0611 0.1547 0.3094 0.3081 110 VAL L CB 6427 C CG1 . VAL D 111 ? 0.8903 0.6604 0.9455 0.1554 0.3122 0.3076 110 VAL L CG1 6428 C CG2 . VAL D 111 ? 0.9521 0.7200 1.0021 0.1558 0.3103 0.3087 110 VAL L CG2 6429 N N . ALA D 112 ? 1.1141 0.8921 1.1704 0.1549 0.3054 0.3122 111 ALA L N 6430 C CA . ALA D 112 ? 1.1320 0.9125 1.1903 0.1542 0.3049 0.3124 111 ALA L CA 6431 C C . ALA D 112 ? 1.0739 0.8548 1.1361 0.1552 0.3082 0.3121 111 ALA L C 6432 O O . ALA D 112 ? 1.0334 0.8150 1.0980 0.1570 0.3094 0.3139 111 ALA L O 6433 C CB . ALA D 112 ? 1.1816 0.9656 1.2405 0.1542 0.3015 0.3152 111 ALA L CB 6434 N N . ALA D 113 ? 1.1899 0.9701 1.2523 0.1543 0.3096 0.3099 112 ALA L N 6435 C CA . ALA D 113 ? 1.1881 0.9687 1.2539 0.1552 0.3126 0.3096 112 ALA L CA 6436 C C . ALA D 113 ? 1.2710 1.0558 1.3393 0.1556 0.3114 0.3119 112 ALA L C 6437 O O . ALA D 113 ? 1.3549 1.1419 1.4222 0.1542 0.3084 0.3127 112 ALA L O 6438 C CB . ALA D 113 ? 1.2368 1.0152 1.3016 0.1540 0.3142 0.3065 112 ALA L CB 6439 N N . PRO D 114 ? 1.1731 0.9590 1.2449 0.1574 0.3138 0.3132 113 PRO L N 6440 C CA . PRO D 114 ? 1.0940 0.8841 1.1685 0.1577 0.3129 0.3155 113 PRO L CA 6441 C C . PRO D 114 ? 1.1053 0.8964 1.1804 0.1567 0.3136 0.3141 113 PRO L C 6442 O O . PRO D 114 ? 1.0987 0.8868 1.1722 0.1559 0.3152 0.3113 113 PRO L O 6443 C CB . PRO D 114 ? 1.0548 0.8453 1.1326 0.1603 0.3155 0.3172 113 PRO L CB 6444 C CG . PRO D 114 ? 1.0529 0.8391 1.1301 0.1609 0.3186 0.3147 113 PRO L CG 6445 C CD . PRO D 114 ? 1.1399 0.9233 1.2133 0.1592 0.3171 0.3128 113 PRO L CD 6446 N N . SER D 115 ? 0.8581 1.2091 1.0323 0.1513 0.1447 0.0078 114 SER L N 6447 C CA . SER D 115 ? 0.8446 1.1787 1.0226 0.1506 0.1398 0.0174 114 SER L CA 6448 C C . SER D 115 ? 0.8686 1.1965 1.0414 0.1278 0.1267 0.0149 114 SER L C 6449 O O . SER D 115 ? 0.8259 1.1291 0.9845 0.1167 0.1269 -0.0014 114 SER L O 6450 C CB . SER D 115 ? 0.8720 1.1633 1.0404 0.1621 0.1517 0.0080 114 SER L CB 6451 O OG . SER D 115 ? 0.8611 1.1554 1.0339 0.1839 0.1652 0.0069 114 SER L OG 6452 N N . VAL D 116 ? 0.8407 1.1934 1.0264 0.1210 0.1152 0.0295 115 VAL L N 6453 C CA . VAL D 116 ? 0.7254 1.0780 0.9087 0.0999 0.1028 0.0265 115 VAL L CA 6454 C C . VAL D 116 ? 0.7446 1.0710 0.9177 0.0955 0.0994 0.0269 115 VAL L C 6455 O O . VAL D 116 ? 0.7816 1.1149 0.9595 0.1045 0.0972 0.0406 115 VAL L O 6456 C CB . VAL D 116 ? 0.5624 0.9555 0.7665 0.0922 0.0919 0.0382 115 VAL L CB 6457 C CG1 . VAL D 116 ? 0.3154 0.7059 0.5177 0.0707 0.0807 0.0319 115 VAL L CG1 6458 C CG2 . VAL D 116 ? 0.5897 1.0102 0.8066 0.0974 0.0977 0.0419 115 VAL L CG2 6459 N N . PHE D 117 ? 0.7461 1.0456 0.9054 0.0823 0.0993 0.0129 116 PHE L N 6460 C CA . PHE D 117 ? 0.7703 1.0443 0.9196 0.0764 0.0981 0.0129 116 PHE L CA 6461 C C . PHE D 117 ? 0.7646 1.0417 0.9106 0.0558 0.0876 0.0054 116 PHE L C 6462 O O . PHE D 117 ? 0.8625 1.1469 1.0100 0.0464 0.0850 -0.0045 116 PHE L O 6463 C CB . PHE D 117 ? 0.8153 1.0484 0.9540 0.0808 0.1112 0.0016 116 PHE L CB 6464 C CG . PHE D 117 ? 0.8456 1.0713 0.9882 0.1012 0.1235 0.0043 116 PHE L CG 6465 C CD1 . PHE D 117 ? 0.9054 1.1455 1.0568 0.1181 0.1247 0.0238 116 PHE L CD1 6466 C CD2 . PHE D 117 ? 0.8122 1.0189 0.9501 0.1044 0.1338 -0.0139 116 PHE L CD2 6467 C CE1 . PHE D 117 ? 0.9583 1.1913 1.1148 0.1386 0.1371 0.0265 116 PHE L CE1 6468 C CE2 . PHE D 117 ? 0.8783 1.0771 1.0201 0.1240 0.1461 -0.0137 116 PHE L CE2 6469 C CZ . PHE D 117 ? 0.9582 1.1689 1.1098 0.1415 0.1484 0.0072 116 PHE L CZ 6470 N N . ILE D 118 ? 0.6444 0.9171 0.7856 0.0503 0.0824 0.0108 117 ILE L N 6471 C CA . ILE D 118 ? 0.5501 0.8265 0.6889 0.0321 0.0730 0.0033 117 ILE L CA 6472 C C . ILE D 118 ? 0.6226 0.8729 0.7479 0.0268 0.0762 0.0015 117 ILE L C 6473 O O . ILE D 118 ? 0.6931 0.9356 0.8129 0.0369 0.0804 0.0137 117 ILE L O 6474 C CB . ILE D 118 ? 0.4566 0.7690 0.6077 0.0276 0.0600 0.0106 117 ILE L CB 6475 C CG1 . ILE D 118 ? 0.3019 0.6154 0.4513 0.0096 0.0515 0.0008 117 ILE L CG1 6476 C CG2 . ILE D 118 ? 0.6018 0.9277 0.7528 0.0395 0.0572 0.0256 117 ILE L CG2 6477 C CD1 . ILE D 118 ? 0.2563 0.6023 0.4194 0.0034 0.0388 0.0038 117 ILE L CD1 6478 N N . PHE D 119 ? 0.5127 0.7508 0.6335 0.0120 0.0752 -0.0121 118 PHE L N 6479 C CA . PHE D 119 ? 0.4972 0.7115 0.6074 0.0055 0.0800 -0.0146 118 PHE L CA 6480 C C . PHE D 119 ? 0.6696 0.8965 0.7780 -0.0087 0.0704 -0.0194 118 PHE L C 6481 O O . PHE D 119 ? 0.7158 0.9543 0.8312 -0.0183 0.0638 -0.0293 118 PHE L O 6482 C CB . PHE D 119 ? 0.4839 0.6692 0.5920 0.0008 0.0900 -0.0292 118 PHE L CB 6483 C CG . PHE D 119 ? 0.4332 0.6068 0.5442 0.0135 0.0992 -0.0308 118 PHE L CG 6484 C CD1 . PHE D 119 ? 0.5404 0.6882 0.6496 0.0243 0.1113 -0.0234 118 PHE L CD1 6485 C CD2 . PHE D 119 ? 0.3473 0.5354 0.4628 0.0156 0.0970 -0.0394 118 PHE L CD2 6486 C CE1 . PHE D 119 ? 0.5039 0.6391 0.6170 0.0367 0.1208 -0.0271 118 PHE L CE1 6487 C CE2 . PHE D 119 ? 0.4822 0.6612 0.5988 0.0283 0.1061 -0.0431 118 PHE L CE2 6488 C CZ . PHE D 119 ? 0.4864 0.6381 0.6024 0.0386 0.1179 -0.0383 118 PHE L CZ 6489 N N . PRO D 120 ? 0.8297 1.0550 0.9287 -0.0089 0.0703 -0.0117 119 PRO L N 6490 C CA . PRO D 120 ? 0.7953 1.0296 0.8905 -0.0216 0.0634 -0.0186 119 PRO L CA 6491 C C . PRO D 120 ? 0.8169 1.0271 0.9089 -0.0327 0.0710 -0.0305 119 PRO L C 6492 O O . PRO D 120 ? 0.8135 0.9990 0.9047 -0.0301 0.0822 -0.0312 119 PRO L O 6493 C CB . PRO D 120 ? 0.7603 1.0025 0.8433 -0.0141 0.0630 -0.0044 119 PRO L CB 6494 C CG . PRO D 120 ? 0.7945 1.0147 0.8733 -0.0005 0.0757 0.0089 119 PRO L CG 6495 C CD . PRO D 120 ? 0.8356 1.0527 0.9265 0.0051 0.0774 0.0053 119 PRO L CD 6496 N N . PRO D 121 ? 0.6411 0.8591 0.7341 -0.0450 0.0654 -0.0410 120 PRO L N 6497 C CA . PRO D 121 ? 0.5466 0.7466 0.6397 -0.0555 0.0721 -0.0526 120 PRO L CA 6498 C C . PRO D 121 ? 0.5050 0.6857 0.5881 -0.0550 0.0838 -0.0455 120 PRO L C 6499 O O . PRO D 121 ? 0.4400 0.6269 0.5125 -0.0479 0.0843 -0.0318 120 PRO L O 6500 C CB . PRO D 121 ? 0.4302 0.6467 0.5271 -0.0658 0.0632 -0.0625 120 PRO L CB 6501 C CG . PRO D 121 ? 0.3925 0.6303 0.4859 -0.0616 0.0546 -0.0552 120 PRO L CG 6502 C CD . PRO D 121 ? 0.4906 0.7343 0.5870 -0.0500 0.0532 -0.0441 120 PRO L CD 6503 N N . SER D 122 ? 0.6010 0.7604 0.6886 -0.0623 0.0934 -0.0541 121 SER L N 6504 C CA . SER D 122 ? 0.6331 0.7717 0.7158 -0.0639 0.1072 -0.0471 121 SER L CA 6505 C C . SER D 122 ? 0.7012 0.8513 0.7770 -0.0713 0.1064 -0.0474 121 SER L C 6506 O O . SER D 122 ? 0.7230 0.8879 0.8035 -0.0799 0.0981 -0.0606 121 SER L O 6507 C CB . SER D 122 ? 0.6748 0.7894 0.7697 -0.0720 0.1173 -0.0598 121 SER L CB 6508 O OG . SER D 122 ? 0.6779 0.7973 0.7809 -0.0717 0.1107 -0.0731 121 SER L OG 6509 N N . ASP D 123 ? 0.8357 0.9793 0.9001 -0.0667 0.1159 -0.0318 122 ASP L N 6510 C CA . ASP D 123 ? 0.8493 1.0025 0.9051 -0.0728 0.1187 -0.0315 122 ASP L CA 6511 C C . ASP D 123 ? 0.7190 0.8598 0.7887 -0.0875 0.1265 -0.0462 122 ASP L C 6512 O O . ASP D 123 ? 0.6893 0.8436 0.7591 -0.0955 0.1242 -0.0554 122 ASP L O 6513 C CB . ASP D 123 ? 1.0576 1.2050 1.0978 -0.0631 0.1305 -0.0086 122 ASP L CB 6514 C CG . ASP D 123 ? 1.2199 1.3800 1.2488 -0.0464 0.1235 0.0076 122 ASP L CG 6515 O OD1 . ASP D 123 ? 1.2381 1.4278 1.2543 -0.0421 0.1118 0.0087 122 ASP L OD1 6516 O OD2 . ASP D 123 ? 1.2892 1.4308 1.3233 -0.0374 0.1297 0.0179 122 ASP L OD2 6517 N N . GLU D 124 ? 0.6704 0.7870 0.7535 -0.0907 0.1356 -0.0497 123 GLU L N 6518 C CA . GLU D 124 ? 0.7567 0.8640 0.8569 -0.1053 0.1420 -0.0658 123 GLU L CA 6519 C C . GLU D 124 ? 0.7026 0.8310 0.8106 -0.1117 0.1275 -0.0852 123 GLU L C 6520 O O . GLU D 124 ? 0.6226 0.7578 0.7406 -0.1224 0.1288 -0.0970 123 GLU L O 6521 C CB . GLU D 124 ? 0.8978 0.9771 1.0118 -0.1069 0.1521 -0.0696 123 GLU L CB 6522 C CG . GLU D 124 ? 1.0196 1.0913 1.1547 -0.1229 0.1583 -0.0886 123 GLU L CG 6523 C CD . GLU D 124 ? 1.1503 1.1941 1.2998 -0.1247 0.1679 -0.0956 123 GLU L CD 6524 O OE1 . GLU D 124 ? 1.1736 1.2024 1.3160 -0.1122 0.1706 -0.0841 123 GLU L OE1 6525 O OE2 . GLU D 124 ? 1.1756 1.2136 1.3450 -0.1385 0.1725 -0.1139 123 GLU L OE2 6526 N N . GLN D 125 ? 0.7295 0.8693 0.8345 -0.1044 0.1146 -0.0868 124 GLN L N 6527 C CA . GLN D 125 ? 0.6261 0.7858 0.7384 -0.1080 0.1016 -0.1006 124 GLN L CA 6528 C C . GLN D 125 ? 0.5588 0.7379 0.6652 -0.1088 0.0946 -0.1001 124 GLN L C 6529 O O . GLN D 125 ? 0.6477 0.8383 0.7631 -0.1151 0.0902 -0.1117 124 GLN L O 6530 C CB . GLN D 125 ? 0.5700 0.7352 0.6830 -0.0998 0.0925 -0.1006 124 GLN L CB 6531 C CG . GLN D 125 ? 0.4745 0.6605 0.5947 -0.1016 0.0802 -0.1096 124 GLN L CG 6532 C CD . GLN D 125 ? 0.5050 0.6987 0.6262 -0.0931 0.0730 -0.1065 124 GLN L CD 6533 O OE1 . GLN D 125 ? 0.4923 0.6803 0.6072 -0.0847 0.0749 -0.0965 124 GLN L OE1 6534 N NE2 . GLN D 125 ? 0.5370 0.7452 0.6666 -0.0942 0.0656 -0.1137 124 GLN L NE2 6535 N N . LEU D 126 ? 0.4794 0.6634 0.5714 -0.1015 0.0936 -0.0875 125 LEU L N 6536 C CA . LEU D 126 ? 0.5012 0.7047 0.5866 -0.1019 0.0864 -0.0898 125 LEU L CA 6537 C C . LEU D 126 ? 0.5820 0.7881 0.6688 -0.1101 0.0932 -0.0975 125 LEU L C 6538 O O . LEU D 126 ? 0.6591 0.8801 0.7478 -0.1128 0.0871 -0.1071 125 LEU L O 6539 C CB . LEU D 126 ? 0.5194 0.7310 0.5874 -0.0923 0.0847 -0.0757 125 LEU L CB 6540 C CG . LEU D 126 ? 0.4647 0.6939 0.5338 -0.0868 0.0705 -0.0756 125 LEU L CG 6541 C CD1 . LEU D 126 ? 0.3993 0.6207 0.4791 -0.0830 0.0681 -0.0731 125 LEU L CD1 6542 C CD2 . LEU D 126 ? 0.5666 0.8099 0.6185 -0.0775 0.0679 -0.0632 125 LEU L CD2 6543 N N . LYS D 127 ? 0.6591 0.8501 0.7472 -0.1142 0.1071 -0.0936 126 LYS L N 6544 C CA . LYS D 127 ? 0.7223 0.9166 0.8148 -0.1225 0.1159 -0.0999 126 LYS L CA 6545 C C . LYS D 127 ? 0.8165 1.0187 0.9289 -0.1303 0.1103 -0.1176 126 LYS L C 6546 O O . LYS D 127 ? 0.9064 1.1189 1.0242 -0.1354 0.1135 -0.1255 126 LYS L O 6547 C CB . LYS D 127 ? 0.7309 0.9061 0.8257 -0.1264 0.1336 -0.0905 126 LYS L CB 6548 C CG . LYS D 127 ? 0.7978 0.9651 0.8731 -0.1169 0.1421 -0.0688 126 LYS L CG 6549 C CD . LYS D 127 ? 0.8820 1.0282 0.9637 -0.1218 0.1626 -0.0582 126 LYS L CD 6550 C CE . LYS D 127 ? 0.9875 1.1121 1.0922 -0.1297 0.1662 -0.0676 126 LYS L CE 6551 N NZ . LYS D 127 ? 1.0195 1.1213 1.1365 -0.1371 0.1873 -0.0596 126 LYS L NZ 6552 N N . SER D 128 ? 0.8362 1.0356 0.9588 -0.1297 0.1026 -0.1230 127 SER L N 6553 C CA . SER D 128 ? 0.7829 0.9926 0.9233 -0.1346 0.0966 -0.1373 127 SER L CA 6554 C C . SER D 128 ? 0.6597 0.8851 0.8020 -0.1305 0.0847 -0.1415 127 SER L C 6555 O O . SER D 128 ? 0.6927 0.9234 0.8449 -0.1293 0.0783 -0.1488 127 SER L O 6556 C CB . SER D 128 ? 0.7636 0.9666 0.9125 -0.1347 0.0941 -0.1416 127 SER L CB 6557 O OG . SER D 128 ? 0.6963 0.9028 0.8399 -0.1262 0.0839 -0.1372 127 SER L OG 6558 N N . GLY D 129 ? 0.5198 0.7477 0.6492 -0.1251 0.0805 -0.1348 128 GLY L N 6559 C CA . GLY D 129 ? 0.5110 0.7513 0.6453 -0.1228 0.0706 -0.1400 128 GLY L CA 6560 C C . GLY D 129 ? 0.4637 0.7059 0.6024 -0.1177 0.0608 -0.1357 128 GLY L C 6561 O O . GLY D 129 ? 0.4785 0.7287 0.6225 -0.1164 0.0535 -0.1380 128 GLY L O 6562 N N . THR D 130 ? 0.5199 0.4466 0.5657 -0.0373 -0.0670 0.1282 129 THR L N 6563 C CA . THR D 130 ? 0.5089 0.4237 0.5669 -0.0432 -0.0481 0.1283 129 THR L CA 6564 C C . THR D 130 ? 0.4791 0.4269 0.5651 -0.0433 -0.0491 0.1285 129 THR L C 6565 O O . THR D 130 ? 0.5443 0.5172 0.6355 -0.0362 -0.0633 0.1332 129 THR L O 6566 C CB . THR D 130 ? 0.6724 0.5549 0.6970 -0.0319 -0.0317 0.1270 129 THR L CB 6567 O OG1 . THR D 130 ? 0.9457 0.8371 0.9534 -0.0184 -0.0362 0.1237 129 THR L OG1 6568 C CG2 . THR D 130 ? 0.5222 0.3804 0.5184 -0.0281 -0.0239 0.1200 129 THR L CG2 6569 N N . ALA D 131 ? 0.4403 0.3878 0.5450 -0.0509 -0.0327 0.1247 130 ALA L N 6570 C CA . ALA D 131 ? 0.3801 0.3581 0.5123 -0.0510 -0.0309 0.1259 130 ALA L CA 6571 C C . ALA D 131 ? 0.4781 0.4325 0.6098 -0.0508 -0.0105 0.1305 130 ALA L C 6572 O O . ALA D 131 ? 0.5116 0.4444 0.6434 -0.0587 0.0050 0.1260 130 ALA L O 6573 C CB . ALA D 131 ? 0.2759 0.2978 0.4441 -0.0631 -0.0353 0.1131 130 ALA L CB 6574 N N . SER D 132 ? 0.4348 0.3930 0.5667 -0.0414 -0.0096 0.1398 131 SER L N 6575 C CA . SER D 132 ? 0.3793 0.3166 0.5092 -0.0395 0.0092 0.1450 131 SER L CA 6576 C C . SER D 132 ? 0.5291 0.4998 0.6925 -0.0407 0.0134 0.1457 131 SER L C 6577 O O . SER D 132 ? 0.6143 0.6051 0.7840 -0.0321 0.0048 0.1520 131 SER L O 6578 C CB . SER D 132 ? 0.4673 0.3734 0.5617 -0.0261 0.0101 0.1537 131 SER L CB 6579 O OG . SER D 132 ? 0.6781 0.5591 0.7351 -0.0232 0.0083 0.1447 131 SER L OG 6580 N N . VAL D 133 ? 0.5236 0.5003 0.7096 -0.0513 0.0277 0.1398 132 VAL L N 6581 C CA . VAL D 133 ? 0.5537 0.5602 0.7714 -0.0528 0.0346 0.1412 132 VAL L CA 6582 C C . VAL D 133 ? 0.6531 0.6293 0.8587 -0.0459 0.0528 0.1501 132 VAL L C 6583 O O . VAL D 133 ? 0.7939 0.7356 0.9836 -0.0485 0.0669 0.1500 132 VAL L O 6584 C CB . VAL D 133 ? 0.5314 0.5637 0.7829 -0.0692 0.0409 0.1289 132 VAL L CB 6585 C CG1 . VAL D 133 ? 0.5335 0.6084 0.8209 -0.0702 0.0432 0.1305 132 VAL L CG1 6586 C CG2 . VAL D 133 ? 0.5309 0.5830 0.7876 -0.0777 0.0257 0.1171 132 VAL L CG2 6587 N N . VAL D 134 ? 0.5900 0.5793 0.8032 -0.0366 0.0534 0.1584 133 VAL L N 6588 C CA . VAL D 134 ? 0.5900 0.5512 0.7898 -0.0287 0.0701 0.1666 133 VAL L CA 6589 C C . VAL D 134 ? 0.5919 0.5778 0.8244 -0.0302 0.0823 0.1693 133 VAL L C 6590 O O . VAL D 134 ? 0.5460 0.5708 0.8043 -0.0282 0.0745 0.1713 133 VAL L O 6591 C CB . VAL D 134 ? 0.5467 0.4902 0.7191 -0.0143 0.0634 0.1746 133 VAL L CB 6592 C CG1 . VAL D 134 ? 0.3422 0.2577 0.4963 -0.0065 0.0799 0.1781 133 VAL L CG1 6593 C CG2 . VAL D 134 ? 0.4426 0.3644 0.5834 -0.0128 0.0508 0.1724 133 VAL L CG2 6594 N N . CYS D 135 ? 0.7567 0.7209 0.9881 -0.0328 0.1021 0.1705 134 CYS L N 6595 C CA . CYS D 135 ? 0.7985 0.7813 1.0586 -0.0338 0.1162 0.1740 134 CYS L CA 6596 C C . CYS D 135 ? 0.7548 0.7067 0.9932 -0.0214 0.1303 0.1837 134 CYS L C 6597 O O . CYS D 135 ? 0.8060 0.7213 1.0119 -0.0180 0.1373 0.1812 134 CYS L O 6598 C CB . CYS D 135 ? 0.9405 0.9255 1.2212 -0.0483 0.1295 0.1668 134 CYS L CB 6599 S SG . CYS D 135 ? 0.9786 0.9966 1.3029 -0.0533 0.1452 0.1690 134 CYS L SG 6600 N N . LEU D 136 ? 0.6668 0.6368 0.9195 -0.0129 0.1323 0.1906 135 LEU L N 6601 C CA . LEU D 136 ? 0.6081 0.5509 0.8399 -0.0005 0.1445 0.1976 135 LEU L CA 6602 C C . LEU D 136 ? 0.6396 0.5929 0.8951 0.0004 0.1630 0.2022 135 LEU L C 6603 O O . LEU D 136 ? 0.7583 0.7505 1.0513 -0.0029 0.1628 0.2052 135 LEU L O 6604 C CB . LEU D 136 ? 0.4763 0.4229 0.6996 0.0112 0.1335 0.2024 135 LEU L CB 6605 C CG . LEU D 136 ? 0.4790 0.4131 0.6920 0.0239 0.1444 0.2047 135 LEU L CG 6606 C CD1 . LEU D 136 ? 0.3991 0.2952 0.5673 0.0287 0.1480 0.1947 135 LEU L CD1 6607 C CD2 . LEU D 136 ? 0.5150 0.4640 0.7358 0.0333 0.1356 0.2107 135 LEU L CD2 6608 N N . LEU D 137 ? 0.6414 0.5653 0.8724 0.0063 0.1756 0.1989 136 LEU L N 6609 C CA . LEU D 137 ? 0.6965 0.6256 0.9444 0.0101 0.1932 0.2037 136 LEU L CA 6610 C C . LEU D 137 ? 0.8323 0.7411 1.0552 0.0250 0.1983 0.2056 136 LEU L C 6611 O O . LEU D 137 ? 0.9341 0.8131 1.1198 0.0300 0.1994 0.1994 136 LEU L O 6612 C CB . LEU D 137 ? 0.6524 0.5671 0.8975 0.0040 0.2063 0.1987 136 LEU L CB 6613 C CG . LEU D 137 ? 0.7731 0.6954 1.0315 -0.0112 0.2023 0.1920 136 LEU L CG 6614 C CD1 . LEU D 137 ? 0.8972 0.8065 1.1575 -0.0151 0.2184 0.1886 136 LEU L CD1 6615 C CD2 . LEU D 137 ? 0.8167 0.7832 1.1191 -0.0222 0.1950 0.1932 136 LEU L CD2 6616 N N . ASN D 138 ? 0.6963 0.6240 0.9410 0.0319 0.2019 0.2139 137 ASN L N 6617 C CA . ASN D 138 ? 0.8015 0.7115 1.0254 0.0454 0.2060 0.2144 137 ASN L CA 6618 C C . ASN D 138 ? 0.8282 0.7338 1.0596 0.0526 0.2261 0.2186 137 ASN L C 6619 O O . ASN D 138 ? 0.8953 0.8268 1.1622 0.0513 0.2342 0.2265 137 ASN L O 6620 C CB . ASN D 138 ? 0.8952 0.8247 1.1336 0.0508 0.1955 0.2203 137 ASN L CB 6621 C CG . ASN D 138 ? 0.8814 0.7874 1.0899 0.0614 0.1940 0.2151 137 ASN L CG 6622 O OD1 . ASN D 138 ? 0.8641 0.7451 1.0361 0.0605 0.1871 0.2048 137 ASN L OD1 6623 N ND2 . ASN D 138 ? 0.8260 0.7417 1.0511 0.0710 0.2010 0.2219 137 ASN L ND2 6624 N N . ASN D 139 ? 0.8026 0.6779 1.0004 0.0600 0.2338 0.2131 138 ASN L N 6625 C CA . ASN D 139 ? 0.8843 0.7517 1.0842 0.0687 0.2531 0.2166 138 ASN L CA 6626 C C . ASN D 139 ? 0.8831 0.7613 1.1067 0.0641 0.2662 0.2210 138 ASN L C 6627 O O . ASN D 139 ? 0.7960 0.7003 1.0554 0.0640 0.2716 0.2291 138 ASN L O 6628 C CB . ASN D 139 ? 0.9674 0.8468 1.1852 0.0782 0.2570 0.2235 138 ASN L CB 6629 C CG . ASN D 139 ? 0.9981 0.8627 1.1909 0.0834 0.2473 0.2175 138 ASN L CG 6630 O OD1 . ASN D 139 ? 0.8961 0.7507 1.0653 0.0782 0.2324 0.2097 138 ASN L OD1 6631 N ND2 . ASN D 139 ? 1.0776 0.9406 1.2761 0.0935 0.2561 0.2207 138 ASN L ND2 6632 N N . PHE D 140 ? 0.9093 0.7688 1.1133 0.0607 0.2710 0.2158 139 PHE L N 6633 C CA . PHE D 140 ? 0.8381 0.7048 1.0625 0.0558 0.2834 0.2185 139 PHE L CA 6634 C C . PHE D 140 ? 0.8640 0.7036 1.0616 0.0624 0.2977 0.2163 139 PHE L C 6635 O O . PHE D 140 ? 0.8392 0.6557 1.0000 0.0670 0.2948 0.2108 139 PHE L O 6636 C CB . PHE D 140 ? 0.7094 0.5895 0.9496 0.0411 0.2741 0.2152 139 PHE L CB 6637 C CG . PHE D 140 ? 0.7271 0.5858 0.9345 0.0378 0.2641 0.2073 139 PHE L CG 6638 C CD1 . PHE D 140 ? 0.7914 0.6513 0.9868 0.0360 0.2464 0.2040 139 PHE L CD1 6639 C CD2 . PHE D 140 ? 0.8516 0.6904 1.0410 0.0373 0.2724 0.2039 139 PHE L CD2 6640 C CE1 . PHE D 140 ? 0.8574 0.6993 1.0228 0.0334 0.2366 0.1969 139 PHE L CE1 6641 C CE2 . PHE D 140 ? 0.8931 0.7149 1.0534 0.0353 0.2634 0.1977 139 PHE L CE2 6642 C CZ . PHE D 140 ? 0.9000 0.7235 1.0480 0.0331 0.2453 0.1940 139 PHE L CZ 6643 N N . TYR D 141 ? 0.9274 0.7721 1.1444 0.0629 0.3128 0.2209 140 TYR L N 6644 C CA . TYR D 141 ? 0.9947 0.8169 1.1909 0.0694 0.3277 0.2205 140 TYR L CA 6645 C C . TYR D 141 ? 1.0775 0.9099 1.3014 0.0631 0.3385 0.2238 140 TYR L C 6646 O O . TYR D 141 ? 1.0989 0.9550 1.3581 0.0594 0.3412 0.2287 140 TYR L O 6647 C CB . TYR D 141 ? 1.0183 0.8282 1.2007 0.0835 0.3402 0.2235 140 TYR L CB 6648 C CG . TYR D 141 ? 1.0850 0.8712 1.2406 0.0915 0.3546 0.2229 140 TYR L CG 6649 C CD1 . TYR D 141 ? 1.1646 0.9522 1.3363 0.0946 0.3712 0.2287 140 TYR L CD1 6650 C CD2 . TYR D 141 ? 1.1276 0.8917 1.2423 0.0961 0.3514 0.2173 140 TYR L CD2 6651 C CE1 . TYR D 141 ? 1.2477 1.0147 1.3955 0.1029 0.3846 0.2293 140 TYR L CE1 6652 C CE2 . TYR D 141 ? 1.2376 0.9828 1.3281 0.1042 0.3647 0.2180 140 TYR L CE2 6653 C CZ . TYR D 141 ? 1.2977 1.0442 1.4049 0.1079 0.3814 0.2242 140 TYR L CZ 6654 O OH . TYR D 141 ? 1.3783 1.1067 1.4616 0.1171 0.3949 0.2260 140 TYR L OH 6655 N N . PRO D 142 ? 1.1091 0.9248 1.3180 0.0621 0.3449 0.2215 141 PRO L N 6656 C CA . PRO D 142 ? 1.2291 1.0201 1.3971 0.0673 0.3425 0.2169 141 PRO L CA 6657 C C . PRO D 142 ? 1.2959 1.0875 1.4552 0.0577 0.3251 0.2106 141 PRO L C 6658 O O . PRO D 142 ? 1.3913 1.2020 1.5758 0.0471 0.3148 0.2093 141 PRO L O 6659 C CB . PRO D 142 ? 1.1635 0.9428 1.3296 0.0702 0.3587 0.2198 141 PRO L CB 6660 C CG . PRO D 142 ? 1.0240 0.8227 1.2318 0.0594 0.3627 0.2220 141 PRO L CG 6661 C CD . PRO D 142 ? 0.9554 0.7774 1.1894 0.0569 0.3571 0.2244 141 PRO L CD 6662 N N . ARG D 143 ? 1.2176 0.9898 1.3421 0.0619 0.3223 0.2071 142 ARG L N 6663 C CA . ARG D 143 ? 1.1996 0.9701 1.3111 0.0548 0.3058 0.2013 142 ARG L CA 6664 C C . ARG D 143 ? 1.1031 0.8825 1.2401 0.0419 0.3046 0.1997 142 ARG L C 6665 O O . ARG D 143 ? 1.0766 0.8607 1.2140 0.0335 0.2903 0.1950 142 ARG L O 6666 C CB . ARG D 143 ? 1.2603 1.0098 1.3302 0.0632 0.3054 0.1992 142 ARG L CB 6667 C CG . ARG D 143 ? 1.1736 0.9206 1.2257 0.0580 0.2876 0.1936 142 ARG L CG 6668 C CD . ARG D 143 ? 1.2146 0.9441 1.2305 0.0664 0.2903 0.1933 142 ARG L CD 6669 N NE . ARG D 143 ? 1.3022 1.0301 1.3080 0.0608 0.2774 0.1895 142 ARG L NE 6670 C CZ . ARG D 143 ? 1.3135 1.0352 1.2888 0.0642 0.2650 0.1861 142 ARG L CZ 6671 N NH1 . ARG D 143 ? 1.3076 1.0231 1.2593 0.0727 0.2641 0.1853 142 ARG L NH1 6672 N NH2 . ARG D 143 ? 1.2770 0.9984 1.2461 0.0591 0.2542 0.1833 142 ARG L NH2 6673 N N . GLU D 144 ? 1.0518 0.8335 1.2108 0.0402 0.3201 0.2031 143 GLU L N 6674 C CA . GLU D 144 ? 1.1896 0.9774 1.3731 0.0276 0.3218 0.2004 143 GLU L CA 6675 C C . GLU D 144 ? 1.1665 0.9798 1.3843 0.0137 0.3116 0.1974 143 GLU L C 6676 O O . GLU D 144 ? 1.1213 0.9532 1.3657 0.0122 0.3155 0.2009 143 GLU L O 6677 C CB . GLU D 144 ? 1.3376 1.1211 1.5367 0.0295 0.3417 0.2048 143 GLU L CB 6678 C CG . GLU D 144 ? 1.4747 1.2503 1.6806 0.0223 0.3473 0.2018 143 GLU L CG 6679 C CD . GLU D 144 ? 1.6039 1.3572 1.7729 0.0322 0.3487 0.2026 143 GLU L CD 6680 O OE1 . GLU D 144 ? 1.6317 1.3727 1.7957 0.0401 0.3646 0.2075 143 GLU L OE1 6681 O OE2 . GLU D 144 ? 1.6277 1.3773 1.7737 0.0324 0.3339 0.1989 143 GLU L OE2 6682 N N . ALA D 145 ? 1.2703 1.0861 1.4875 0.0041 0.2986 0.1913 144 ALA L N 6683 C CA . ALA D 145 ? 1.2009 1.0428 1.4494 -0.0098 0.2879 0.1875 144 ALA L CA 6684 C C . ALA D 145 ? 1.1084 0.9475 1.3566 -0.0212 0.2791 0.1794 144 ALA L C 6685 O O . ALA D 145 ? 0.9612 0.7785 1.1787 -0.0162 0.2762 0.1778 144 ALA L O 6686 C CB . ALA D 145 ? 1.1111 0.9661 1.3567 -0.0052 0.2753 0.1903 144 ALA L CB 6687 N N . LYS D 146 ? 1.0263 0.8901 1.3093 -0.0366 0.2747 0.1739 145 LYS L N 6688 C CA . LYS D 146 ? 1.0013 0.8642 1.2885 -0.0491 0.2679 0.1647 145 LYS L CA 6689 C C . LYS D 146 ? 0.9852 0.8768 1.2921 -0.0599 0.2511 0.1598 145 LYS L C 6690 O O . LYS D 146 ? 0.9251 0.8486 1.2621 -0.0647 0.2490 0.1609 145 LYS L O 6691 C CB . LYS D 146 ? 1.0532 0.9165 1.3652 -0.0597 0.2819 0.1591 145 LYS L CB 6692 C CG . LYS D 146 ? 1.0547 0.9509 1.4095 -0.0706 0.2862 0.1569 145 LYS L CG 6693 C CD . LYS D 146 ? 1.0800 0.9713 1.4547 -0.0776 0.3030 0.1531 145 LYS L CD 6694 C CE . LYS D 146 ? 0.9883 0.8552 1.3452 -0.0620 0.3192 0.1635 145 LYS L CE 6695 N NZ . LYS D 146 ? 0.8581 0.7215 1.2371 -0.0680 0.3364 0.1613 145 LYS L NZ 6696 N N . VAL D 147 ? 1.0340 0.9167 1.3244 -0.0631 0.2391 0.1547 146 VAL L N 6697 C CA . VAL D 147 ? 0.9201 0.8291 1.2261 -0.0720 0.2223 0.1504 146 VAL L CA 6698 C C . VAL D 147 ? 0.8775 0.7903 1.1954 -0.0875 0.2181 0.1379 146 VAL L C 6699 O O . VAL D 147 ? 0.6765 0.5607 0.9694 -0.0853 0.2194 0.1353 146 VAL L O 6700 C CB . VAL D 147 ? 0.7429 0.6407 1.0168 -0.0601 0.2082 0.1565 146 VAL L CB 6701 C CG1 . VAL D 147 ? 0.6736 0.5963 0.9627 -0.0693 0.1909 0.1522 146 VAL L CG1 6702 C CG2 . VAL D 147 ? 0.7024 0.6027 0.9702 -0.0467 0.2108 0.1667 146 VAL L CG2 6703 N N . GLN D 148 ? 1.0804 1.0319 1.4368 -0.1024 0.2124 0.1293 147 GLN L N 6704 C CA . GLN D 148 ? 1.1343 1.0950 1.5062 -0.1188 0.2080 0.1143 147 GLN L CA 6705 C C . GLN D 148 ? 1.0807 1.0681 1.4596 -0.1242 0.1880 0.1096 147 GLN L C 6706 O O . GLN D 148 ? 0.9674 0.9920 1.3665 -0.1234 0.1784 0.1130 147 GLN L O 6707 C CB . GLN D 148 ? 1.1250 1.1139 1.5359 -0.1334 0.2162 0.1040 147 GLN L CB 6708 C CG . GLN D 148 ? 1.1440 1.1051 1.5513 -0.1308 0.2366 0.1062 147 GLN L CG 6709 C CD . GLN D 148 ? 1.1574 1.0900 1.5545 -0.1364 0.2432 0.0974 147 GLN L CD 6710 O OE1 . GLN D 148 ? 1.1698 1.1188 1.5875 -0.1522 0.2392 0.0824 147 GLN L OE1 6711 N NE2 . GLN D 148 ? 1.1177 1.0100 1.4826 -0.1226 0.2530 0.1063 147 GLN L NE2 6712 N N . TRP D 149 ? 1.0546 1.0246 1.4175 -0.1282 0.1816 0.1026 148 TRP L N 6713 C CA . TRP D 149 ? 1.0405 1.0357 1.4107 -0.1339 0.1624 0.0970 148 TRP L CA 6714 C C . TRP D 149 ? 1.0635 1.0919 1.4657 -0.1532 0.1577 0.0771 148 TRP L C 6715 O O . TRP D 149 ? 1.1981 1.2083 1.6006 -0.1618 0.1682 0.0668 148 TRP L O 6716 C CB . TRP D 149 ? 1.0417 0.9999 1.3727 -0.1256 0.1560 0.1011 148 TRP L CB 6717 C CG . TRP D 149 ? 0.9260 0.8687 1.2277 -0.1078 0.1497 0.1175 148 TRP L CG 6718 C CD1 . TRP D 149 ? 0.9592 0.8620 1.2200 -0.0924 0.1561 0.1266 148 TRP L CD1 6719 C CD2 . TRP D 149 ? 0.6977 0.6688 1.0034 -0.1011 0.1324 0.1234 148 TRP L CD2 6720 N NE1 . TRP D 149 ? 0.8676 0.7692 1.1092 -0.0792 0.1459 0.1374 148 TRP L NE1 6721 C CE2 . TRP D 149 ? 0.7406 0.6816 1.0101 -0.0840 0.1322 0.1371 148 TRP L CE2 6722 C CE3 . TRP D 149 ? 0.5855 0.6068 0.9167 -0.1054 0.1149 0.1165 148 TRP L CE3 6723 C CZ2 . TRP D 149 ? 0.6157 0.5721 0.8753 -0.0721 0.1162 0.1434 148 TRP L CZ2 6724 C CZ3 . TRP D 149 ? 0.5680 0.6054 0.8889 -0.0919 0.0993 0.1250 148 TRP L CZ3 6725 C CH2 . TRP D 149 ? 0.5088 0.5122 0.7950 -0.0758 0.1005 0.1381 148 TRP L CH2 6726 N N . LYS D 150 ? 0.9161 0.9950 1.3437 -0.1588 0.1412 0.0715 149 LYS L N 6727 C CA . LYS D 150 ? 0.9641 1.0817 1.4186 -0.1762 0.1335 0.0507 149 LYS L CA 6728 C C . LYS D 150 ? 0.9276 1.0826 1.3875 -0.1774 0.1101 0.0448 149 LYS L C 6729 O O . LYS D 150 ? 0.8541 1.0473 1.3254 -0.1697 0.0975 0.0525 149 LYS L O 6730 C CB . LYS D 150 ? 0.9773 1.1345 1.4633 -0.1830 0.1381 0.0462 149 LYS L CB 6731 C CG . LYS D 150 ? 0.9521 1.0803 1.4405 -0.1880 0.1597 0.0442 149 LYS L CG 6732 C CD . LYS D 150 ? 0.8917 1.0501 1.4046 -0.1880 0.1661 0.0486 149 LYS L CD 6733 C CE . LYS D 150 ? 0.8248 1.0495 1.3675 -0.1982 0.1504 0.0369 149 LYS L CE 6734 N NZ . LYS D 150 ? 0.7572 1.0128 1.3219 -0.1967 0.1562 0.0429 149 LYS L NZ 6735 N N . VAL D 151 ? 1.0005 1.1445 1.4509 -0.1854 0.1041 0.0318 150 VAL L N 6736 C CA . VAL D 151 ? 0.9809 1.1624 1.4355 -0.1870 0.0813 0.0239 150 VAL L CA 6737 C C . VAL D 151 ? 0.9965 1.2156 1.4696 -0.2037 0.0752 0.0008 150 VAL L C 6738 O O . VAL D 151 ? 1.0669 1.2618 1.5396 -0.2147 0.0874 -0.0109 150 VAL L O 6739 C CB . VAL D 151 ? 0.8481 0.9914 1.2687 -0.1788 0.0739 0.0290 150 VAL L CB 6740 C CG1 . VAL D 151 ? 0.8014 0.8904 1.1878 -0.1628 0.0854 0.0491 150 VAL L CG1 6741 C CG2 . VAL D 151 ? 0.8858 1.0097 1.3030 -0.1924 0.0781 0.0114 150 VAL L CG2 6742 N N . ASP D 152 ? 0.9111 1.1893 1.3985 -0.2037 0.0565 -0.0035 151 ASP L N 6743 C CA . ASP D 152 ? 0.9949 1.3150 1.4989 -0.2170 0.0483 -0.0209 151 ASP L CA 6744 C C . ASP D 152 ? 1.0994 1.4121 1.6215 -0.2291 0.0662 -0.0286 151 ASP L C 6745 O O . ASP D 152 ? 1.1026 1.4132 1.6312 -0.2420 0.0687 -0.0458 151 ASP L O 6746 C CB . ASP D 152 ? 0.9986 1.3099 1.4893 -0.2229 0.0384 -0.0354 151 ASP L CB 6747 C CG . ASP D 152 ? 0.9725 1.3252 1.4576 -0.2142 0.0132 -0.0329 151 ASP L CG 6748 O OD1 . ASP D 152 ? 0.8895 1.2694 1.3762 -0.2016 0.0044 -0.0175 151 ASP L OD1 6749 O OD2 . ASP D 152 ? 1.0212 1.3770 1.4993 -0.2183 0.0031 -0.0456 151 ASP L OD2 6750 N N . ASN D 153 ? 1.1749 1.4828 1.7052 -0.2239 0.0788 -0.0159 152 ASN L N 6751 C CA . ASN D 153 ? 1.2066 1.4999 1.7516 -0.2327 0.0981 -0.0197 152 ASN L CA 6752 C C . ASN D 153 ? 1.1831 1.4176 1.7149 -0.2386 0.1155 -0.0267 152 ASN L C 6753 O O . ASN D 153 ? 1.2288 1.4604 1.7748 -0.2509 0.1255 -0.0397 152 ASN L O 6754 C CB . ASN D 153 ? 1.2583 1.6048 1.8311 -0.2449 0.0913 -0.0322 152 ASN L CB 6755 C CG . ASN D 153 ? 1.2300 1.6327 1.8170 -0.2369 0.0792 -0.0204 152 ASN L CG 6756 O OD1 . ASN D 153 ? 1.2100 1.6187 1.8084 -0.2337 0.0899 -0.0106 152 ASN L OD1 6757 N ND2 . ASN D 153 ? 1.1717 1.6147 1.7576 -0.2319 0.0573 -0.0197 152 ASN L ND2 6758 N N . ALA D 154 ? 1.0612 1.2493 1.5656 -0.2286 0.1193 -0.0170 153 ALA L N 6759 C CA . ALA D 154 ? 1.0605 1.1911 1.5476 -0.2298 0.1366 -0.0189 153 ALA L CA 6760 C C . ALA D 154 ? 1.0759 1.1573 1.5366 -0.2136 0.1491 0.0023 153 ALA L C 6761 O O . ALA D 154 ? 0.9822 1.0588 1.4255 -0.2017 0.1398 0.0152 153 ALA L O 6762 C CB . ALA D 154 ? 1.0310 1.1514 1.5052 -0.2348 0.1279 -0.0318 153 ALA L CB 6763 N N . LEU D 155 ? 1.1783 1.2243 1.6355 -0.2123 0.1698 0.0059 154 LEU L N 6764 C CA . LEU D 155 ? 1.1671 1.1682 1.5967 -0.1956 0.1825 0.0256 154 LEU L CA 6765 C C . LEU D 155 ? 1.1462 1.1071 1.5393 -0.1855 0.1802 0.0321 154 LEU L C 6766 O O . LEU D 155 ? 1.1468 1.0915 1.5346 -0.1912 0.1825 0.0216 154 LEU L O 6767 C CB . LEU D 155 ? 1.2428 1.2201 1.6787 -0.1965 0.2046 0.0262 154 LEU L CB 6768 C CG . LEU D 155 ? 1.2774 1.2054 1.6808 -0.1788 0.2188 0.0435 154 LEU L CG 6769 C CD1 . LEU D 155 ? 1.2164 1.1472 1.6107 -0.1652 0.2184 0.0607 154 LEU L CD1 6770 C CD2 . LEU D 155 ? 1.3521 1.2565 1.7630 -0.1811 0.2401 0.0401 154 LEU L CD2 6771 N N . GLN D 156 ? 1.1275 1.0728 1.4946 -0.1696 0.1758 0.0495 155 GLN L N 6772 C CA . GLN D 156 ? 1.1013 1.0090 1.4294 -0.1575 0.1730 0.0580 155 GLN L CA 6773 C C . GLN D 156 ? 1.1673 1.0332 1.4710 -0.1456 0.1909 0.0674 155 GLN L C 6774 O O . GLN D 156 ? 1.1547 1.0193 1.4696 -0.1442 0.2047 0.0709 155 GLN L O 6775 C CB . GLN D 156 ? 0.9795 0.8917 1.2894 -0.1455 0.1584 0.0715 155 GLN L CB 6776 C CG . GLN D 156 ? 0.9046 0.8609 1.2388 -0.1547 0.1393 0.0637 155 GLN L CG 6777 C CD . GLN D 156 ? 0.8029 0.7686 1.1464 -0.1685 0.1326 0.0454 155 GLN L CD 6778 O OE1 . GLN D 156 ? 0.6691 0.6065 0.9866 -0.1644 0.1299 0.0460 155 GLN L OE1 6779 N NE2 . GLN D 156 ? 0.8294 0.8363 1.2079 -0.1840 0.1294 0.0285 155 GLN L NE2 6780 N N . SER D 157 ? 1.2306 1.0659 1.5020 -0.1362 0.1902 0.0718 156 SER L N 6781 C CA . SER D 157 ? 1.2711 1.0736 1.5222 -0.1249 0.2064 0.0792 156 SER L CA 6782 C C . SER D 157 ? 1.3034 1.0851 1.5124 -0.1048 0.2016 0.0950 156 SER L C 6783 O O . SER D 157 ? 1.3064 1.0864 1.5068 -0.0948 0.2056 0.1049 156 SER L O 6784 C CB . SER D 157 ? 1.2995 1.0869 1.5530 -0.1312 0.2138 0.0692 156 SER L CB 6785 O OG . SER D 157 ? 1.2329 1.0199 1.4720 -0.1323 0.1986 0.0656 156 SER L OG 6786 N N . GLY D 158 ? 1.3223 1.0903 1.5052 -0.0991 0.1926 0.0962 157 GLY L N 6787 C CA . GLY D 158 ? 1.2599 1.0111 1.4027 -0.0809 0.1875 0.1087 157 GLY L CA 6788 C C . GLY D 158 ? 1.1361 0.8944 1.2576 -0.0758 0.1659 0.1123 157 GLY L C 6789 O O . GLY D 158 ? 1.1711 0.9176 1.2600 -0.0641 0.1580 0.1182 157 GLY L O 6790 N N . ASN D 159 ? 0.9341 0.7142 1.0760 -0.0846 0.1562 0.1088 158 ASN L N 6791 C CA . ASN D 159 ? 0.9106 0.6988 1.0364 -0.0797 0.1364 0.1127 158 ASN L CA 6792 C C . ASN D 159 ? 0.9865 0.7826 1.1060 -0.0704 0.1326 0.1216 158 ASN L C 6793 O O . ASN D 159 ? 0.9351 0.7393 1.0437 -0.0653 0.1172 0.1254 158 ASN L O 6794 C CB . ASN D 159 ? 0.9449 0.7556 1.0991 -0.0947 0.1265 0.1033 158 ASN L CB 6795 C CG . ASN D 159 ? 1.0605 0.8984 1.2603 -0.1100 0.1343 0.0948 158 ASN L CG 6796 O OD1 . ASN D 159 ? 1.1993 1.0414 1.4086 -0.1074 0.1440 0.0995 158 ASN L OD1 6797 N ND2 . ASN D 159 ? 1.0267 0.8869 1.2554 -0.1261 0.1292 0.0809 158 ASN L ND2 6798 N N . SER D 160 ? 1.1213 0.9147 1.2480 -0.0677 0.1474 0.1247 159 SER L N 6799 C CA . SER D 160 ? 0.9642 0.7646 1.0876 -0.0592 0.1468 0.1322 159 SER L CA 6800 C C . SER D 160 ? 0.8486 0.6315 0.9315 -0.0430 0.1439 0.1385 159 SER L C 6801 O O . SER D 160 ? 0.8496 0.6167 0.9115 -0.0383 0.1460 0.1383 159 SER L O 6802 C CB . SER D 160 ? 0.9934 0.8015 1.1458 -0.0642 0.1643 0.1322 159 SER L CB 6803 O OG . SER D 160 ? 1.0428 0.8722 1.2355 -0.0813 0.1668 0.1234 159 SER L OG 6804 N N . GLN D 161 ? 0.8902 0.6788 0.9651 -0.0350 0.1392 0.1435 160 GLN L N 6805 C CA . GLN D 161 ? 0.8804 0.6570 0.9214 -0.0216 0.1370 0.1471 160 GLN L CA 6806 C C . GLN D 161 ? 0.8415 0.6257 0.8868 -0.0158 0.1394 0.1512 160 GLN L C 6807 O O . GLN D 161 ? 0.7662 0.5654 0.8255 -0.0179 0.1310 0.1521 160 GLN L O 6808 C CB . GLN D 161 ? 0.9209 0.6949 0.9342 -0.0173 0.1177 0.1453 160 GLN L CB 6809 C CG . GLN D 161 ? 1.0808 0.8415 1.0648 -0.0088 0.1187 0.1462 160 GLN L CG 6810 C CD . GLN D 161 ? 1.2423 1.0035 1.2060 -0.0076 0.1004 0.1436 160 GLN L CD 6811 O OE1 . GLN D 161 ? 1.3079 1.0779 1.2731 -0.0107 0.0851 0.1412 160 GLN L OE1 6812 N NE2 . GLN D 161 ? 1.2144 0.9676 1.1609 -0.0027 0.1026 0.1445 160 GLN L NE2 6813 N N . GLU D 162 ? 0.8214 0.5962 0.8561 -0.0080 0.1520 0.1544 161 GLU L N 6814 C CA . GLU D 162 ? 0.7621 0.5421 0.8025 -0.0024 0.1580 0.1582 161 GLU L CA 6815 C C . GLU D 162 ? 0.6651 0.4353 0.6733 0.0094 0.1554 0.1593 161 GLU L C 6816 O O . GLU D 162 ? 0.7872 0.5462 0.7713 0.0141 0.1552 0.1586 161 GLU L O 6817 C CB . GLU D 162 ? 0.8494 0.6301 0.9141 -0.0050 0.1785 0.1610 161 GLU L CB 6818 C CG . GLU D 162 ? 1.0393 0.8340 1.1419 -0.0187 0.1822 0.1586 161 GLU L CG 6819 C CD . GLU D 162 ? 1.2376 1.0356 1.3663 -0.0219 0.2017 0.1605 161 GLU L CD 6820 O OE1 . GLU D 162 ? 1.2246 1.0097 1.3392 -0.0126 0.2137 0.1643 161 GLU L OE1 6821 O OE2 . GLU D 162 ? 1.3450 1.1606 1.5096 -0.0339 0.2049 0.1579 161 GLU L OE2 6822 N N . SER D 163 ? 0.6282 0.4041 0.6382 0.0141 0.1542 0.1610 162 SER L N 6823 C CA . SER D 163 ? 0.7543 0.5215 0.7375 0.0242 0.1540 0.1609 162 SER L CA 6824 C C . SER D 163 ? 0.7234 0.4934 0.7191 0.0290 0.1662 0.1647 162 SER L C 6825 O O . SER D 163 ? 0.7226 0.5063 0.7433 0.0258 0.1646 0.1666 162 SER L O 6826 C CB . SER D 163 ? 0.8265 0.5965 0.7924 0.0251 0.1338 0.1568 162 SER L CB 6827 O OG . SER D 163 ? 0.9230 0.6845 0.8643 0.0337 0.1344 0.1558 162 SER L OG 6828 N N . VAL D 164 ? 0.6948 0.4530 0.6741 0.0373 0.1792 0.1665 163 VAL L N 6829 C CA . VAL D 164 ? 0.6738 0.4325 0.6631 0.0429 0.1928 0.1701 163 VAL L CA 6830 C C . VAL D 164 ? 0.7796 0.5268 0.7401 0.0526 0.1936 0.1685 163 VAL L C 6831 O O . VAL D 164 ? 0.9076 0.6432 0.8400 0.0575 0.1943 0.1670 163 VAL L O 6832 C CB . VAL D 164 ? 0.6942 0.4485 0.6947 0.0444 0.2132 0.1746 163 VAL L CB 6833 C CG1 . VAL D 164 ? 0.7706 0.5297 0.7892 0.0485 0.2264 0.1789 163 VAL L CG1 6834 C CG2 . VAL D 164 ? 0.7037 0.4653 0.7286 0.0342 0.2143 0.1749 163 VAL L CG2 6835 N N . THR D 165 ? 0.9340 0.5760 0.8497 0.3000 0.1686 0.1660 164 THR L N 6836 C CA . THR D 165 ? 0.9308 0.5583 0.8435 0.3027 0.1636 0.1602 164 THR L CA 6837 C C . THR D 165 ? 0.9526 0.5809 0.8565 0.3101 0.1656 0.1540 164 THR L C 6838 O O . THR D 165 ? 0.9637 0.6039 0.8666 0.3133 0.1715 0.1547 164 THR L O 6839 C CB . THR D 165 ? 0.9268 0.5470 0.8434 0.3051 0.1605 0.1614 164 THR L CB 6840 O OG1 . THR D 165 ? 0.8429 0.4734 0.7589 0.3110 0.1633 0.1635 164 THR L OG1 6841 C CG2 . THR D 165 ? 0.9440 0.5600 0.8682 0.2983 0.1593 0.1678 164 THR L CG2 6842 N N . GLU D 166 ? 0.9474 0.5625 0.8455 0.3135 0.1613 0.1474 165 GLU L N 6843 C CA . GLU D 166 ? 0.9900 0.6035 0.8768 0.3221 0.1637 0.1413 165 GLU L CA 6844 C C . GLU D 166 ? 1.0831 0.6954 0.9714 0.3280 0.1643 0.1395 165 GLU L C 6845 O O . GLU D 166 ? 1.1051 0.7182 1.0025 0.3257 0.1625 0.1435 165 GLU L O 6846 C CB . GLU D 166 ? 1.0086 0.6078 0.8862 0.3254 0.1582 0.1341 165 GLU L CB 6847 C CG . GLU D 166 ? 1.1433 0.7448 1.0185 0.3215 0.1578 0.1358 165 GLU L CG 6848 C CD . GLU D 166 ? 1.2685 0.8549 1.1389 0.3243 0.1493 0.1289 165 GLU L CD 6849 O OE1 . GLU D 166 ? 1.4285 1.0019 1.3011 0.3272 0.1435 0.1228 165 GLU L OE1 6850 O OE2 . GLU D 166 ? 1.1471 0.7360 1.0128 0.3228 0.1478 0.1286 165 GLU L OE2 6851 N N . GLN D 167 ? 1.1108 0.7213 0.9897 0.3361 0.1674 0.1339 166 GLN L N 6852 C CA . GLN D 167 ? 1.1405 0.7505 1.0217 0.3420 0.1687 0.1319 166 GLN L CA 6853 C C . GLN D 167 ? 1.2493 0.8441 1.1345 0.3423 0.1615 0.1287 166 GLN L C 6854 O O . GLN D 167 ? 1.3194 0.9003 1.1997 0.3429 0.1564 0.1228 166 GLN L O 6855 C CB . GLN D 167 ? 1.1900 0.7999 1.0598 0.3506 0.1747 0.1263 166 GLN L CB 6856 C CG . GLN D 167 ? 1.2885 0.9110 1.1656 0.3543 0.1817 0.1282 166 GLN L CG 6857 C CD . GLN D 167 ? 1.3727 0.9985 1.2403 0.3609 0.1908 0.1248 166 GLN L CD 6858 O OE1 . GLN D 167 ? 1.3659 0.9815 1.2176 0.3650 0.1912 0.1201 166 GLN L OE1 6859 N NE2 . GLN D 167 ? 1.3729 1.0128 1.2506 0.3625 0.1985 0.1272 166 GLN L NE2 6860 N N . ASP D 168 ? 1.2152 0.8125 1.1103 0.3424 0.1611 0.1326 167 ASP L N 6861 C CA . ASP D 168 ? 1.2177 0.8015 1.1201 0.3417 0.1558 0.1316 167 ASP L CA 6862 C C . ASP D 168 ? 1.2275 0.7968 1.1242 0.3488 0.1540 0.1215 167 ASP L C 6863 O O . ASP D 168 ? 1.1539 0.7262 1.0422 0.3558 0.1582 0.1171 167 ASP L O 6864 C CB . ASP D 168 ? 1.3155 0.9063 1.2277 0.3419 0.1566 0.1391 167 ASP L CB 6865 C CG . ASP D 168 ? 1.4134 0.9915 1.3348 0.3389 0.1525 0.1416 167 ASP L CG 6866 O OD1 . ASP D 168 ? 1.4348 1.0159 1.3624 0.3408 0.1529 0.1476 167 ASP L OD1 6867 O OD2 . ASP D 168 ? 1.4521 1.0171 1.3755 0.3351 0.1490 0.1376 167 ASP L OD2 6868 N N . SER D 169 ? 1.4737 1.0269 1.3762 0.3473 0.1485 0.1174 168 SER L N 6869 C CA . SER D 169 ? 1.5056 1.0430 1.4035 0.3541 0.1458 0.1060 168 SER L CA 6870 C C . SER D 169 ? 1.6280 1.1654 1.5288 0.3605 0.1490 0.1049 168 SER L C 6871 O O . SER D 169 ? 1.6913 1.2221 1.5830 0.3683 0.1502 0.0959 168 SER L O 6872 C CB . SER D 169 ? 1.3738 0.8941 1.2827 0.3503 0.1393 0.1016 168 SER L CB 6873 O OG . SER D 169 ? 1.2790 0.7996 1.1883 0.3441 0.1362 0.1030 168 SER L OG 6874 N N . LYS D 170 ? 1.6456 1.1901 1.5581 0.3578 0.1504 0.1141 169 LYS L N 6875 C CA . LYS D 170 ? 1.6178 1.1619 1.5362 0.3637 0.1525 0.1142 169 LYS L CA 6876 C C . LYS D 170 ? 1.5753 1.1371 1.4904 0.3681 0.1582 0.1179 169 LYS L C 6877 O O . LYS D 170 ? 1.6247 1.1869 1.5330 0.3748 0.1620 0.1115 169 LYS L O 6878 C CB . LYS D 170 ? 1.6350 1.1754 1.5681 0.3600 0.1505 0.1223 169 LYS L CB 6879 C CG . LYS D 170 ? 1.6191 1.1540 1.5577 0.3512 0.1474 0.1263 169 LYS L CG 6880 C CD . LYS D 170 ? 1.6298 1.1684 1.5784 0.3478 0.1481 0.1384 169 LYS L CD 6881 C CE . LYS D 170 ? 1.6236 1.1821 1.5672 0.3502 0.1508 0.1466 169 LYS L CE 6882 N NZ . LYS D 170 ? 1.5801 1.1425 1.5293 0.3484 0.1511 0.1585 169 LYS L NZ 6883 N N . ASP D 171 ? 1.4050 0.9813 1.3256 0.3647 0.1589 0.1279 170 ASP L N 6884 C CA . ASP D 171 ? 1.3906 0.9845 1.3130 0.3690 0.1635 0.1312 170 ASP L CA 6885 C C . ASP D 171 ? 1.3166 0.9221 1.2314 0.3679 0.1682 0.1298 170 ASP L C 6886 O O . ASP D 171 ? 1.2824 0.9030 1.2013 0.3709 0.1728 0.1316 170 ASP L O 6887 C CB . ASP D 171 ? 1.5459 1.1500 1.4778 0.3678 0.1615 0.1414 170 ASP L CB 6888 C CG . ASP D 171 ? 1.6328 1.2371 1.5637 0.3596 0.1588 0.1478 170 ASP L CG 6889 O OD1 . ASP D 171 ? 1.6325 1.2371 1.5571 0.3547 0.1595 0.1455 170 ASP L OD1 6890 O OD2 . ASP D 171 ? 1.6445 1.2485 1.5807 0.3586 0.1563 0.1556 170 ASP L OD2 6891 N N . SER D 172 ? 1.3276 0.9259 1.2330 0.3639 0.1671 0.1265 171 SER L N 6892 C CA . SER D 172 ? 1.2471 0.8539 1.1441 0.3628 0.1718 0.1256 171 SER L CA 6893 C C . SER D 172 ? 1.2987 0.9246 1.2034 0.3597 0.1752 0.1329 171 SER L C 6894 O O . SER D 172 ? 1.2756 0.9128 1.1809 0.3625 0.1821 0.1321 171 SER L O 6895 C CB . SER D 172 ? 1.1814 0.7861 1.0685 0.3705 0.1780 0.1183 171 SER L CB 6896 O OG . SER D 172 ? 1.2361 0.8510 1.1320 0.3755 0.1831 0.1192 171 SER L OG 6897 N N . THR D 173 ? 1.3662 0.9948 1.2773 0.3541 0.1709 0.1396 172 THR L N 6898 C CA . THR D 173 ? 1.2898 0.9353 1.2075 0.3517 0.1730 0.1457 172 THR L CA 6899 C C . THR D 173 ? 1.1597 0.8046 1.0746 0.3433 0.1714 0.1494 172 THR L C 6900 O O . THR D 173 ? 1.1448 0.7766 1.0544 0.3395 0.1680 0.1475 172 THR L O 6901 C CB . THR D 173 ? 1.3048 0.9566 1.2318 0.3546 0.1698 0.1514 172 THR L CB 6902 O OG1 . THR D 173 ? 1.3311 1.0010 1.2650 0.3553 0.1722 0.1548 172 THR L OG1 6903 C CG2 . THR D 173 ? 1.2635 0.9049 1.1899 0.3500 0.1642 0.1567 172 THR L CG2 6904 N N . TYR D 174 ? 0.9949 0.6541 0.9149 0.3410 0.1738 0.1539 173 TYR L N 6905 C CA . TYR D 174 ? 1.0387 0.6987 0.9571 0.3332 0.1735 0.1575 173 TYR L CA 6906 C C . TYR D 174 ? 1.0827 0.7468 1.0055 0.3308 0.1704 0.1649 173 TYR L C 6907 O O . TYR D 174 ? 1.2104 0.8822 1.1379 0.3364 0.1693 0.1675 173 TYR L O 6908 C CB . TYR D 174 ? 1.0460 0.7179 0.9657 0.3322 0.1804 0.1562 173 TYR L CB 6909 C CG . TYR D 174 ? 1.0362 0.7025 0.9477 0.3341 0.1845 0.1505 173 TYR L CG 6910 C CD1 . TYR D 174 ? 1.0525 0.7075 0.9547 0.3304 0.1820 0.1490 173 TYR L CD1 6911 C CD2 . TYR D 174 ? 1.0021 0.6746 0.9150 0.3404 0.1911 0.1468 173 TYR L CD2 6912 C CE1 . TYR D 174 ? 1.0869 0.7363 0.9785 0.3341 0.1853 0.1441 173 TYR L CE1 6913 C CE2 . TYR D 174 ? 1.0173 0.6839 0.9197 0.3433 0.1959 0.1425 173 TYR L CE2 6914 C CZ . TYR D 174 ? 1.1178 0.7726 1.0080 0.3407 0.1926 0.1413 173 TYR L CZ 6915 O OH . TYR D 174 ? 1.2190 0.8674 1.0957 0.3456 0.1969 0.1372 173 TYR L OH 6916 N N . SER D 175 ? 0.9719 0.6309 0.8928 0.3233 0.1690 0.1682 174 SER L N 6917 C CA . SER D 175 ? 0.9977 0.6612 0.9204 0.3208 0.1680 0.1757 174 SER L CA 6918 C C . SER D 175 ? 1.0694 0.7381 0.9922 0.3139 0.1712 0.1772 174 SER L C 6919 O O . SER D 175 ? 0.9761 0.6389 0.8973 0.3087 0.1720 0.1741 174 SER L O 6920 C CB . SER D 175 ? 0.9862 0.6361 0.9083 0.3183 0.1641 0.1798 174 SER L CB 6921 O OG . SER D 175 ? 1.0327 0.6819 0.9558 0.3255 0.1618 0.1819 174 SER L OG 6922 N N . LEU D 176 ? 0.7807 0.7384 0.7907 0.0716 0.0777 0.0864 175 LEU L N 6923 C CA . LEU D 176 ? 0.7389 0.6940 0.7692 0.0530 0.0865 0.0823 175 LEU L CA 6924 C C . LEU D 176 ? 0.7479 0.7329 0.7901 0.0542 0.0712 0.0758 175 LEU L C 6925 O O . LEU D 176 ? 0.7765 0.8054 0.8341 0.0633 0.0623 0.0610 175 LEU L O 6926 C CB . LEU D 176 ? 0.6777 0.6556 0.7460 0.0381 0.1096 0.0615 175 LEU L CB 6927 C CG . LEU D 176 ? 0.6365 0.6363 0.7395 0.0210 0.1174 0.0465 175 LEU L CG 6928 C CD1 . LEU D 176 ? 0.6123 0.5662 0.7015 0.0080 0.1209 0.0620 175 LEU L CD1 6929 C CD2 . LEU D 176 ? 0.4431 0.4729 0.5830 0.0096 0.1383 0.0239 175 LEU L CD2 6930 N N . SER D 177 ? 0.8315 0.7922 0.8662 0.0450 0.0680 0.0866 176 SER L N 6931 C CA . SER D 177 ? 0.7900 0.7774 0.8377 0.0433 0.0562 0.0797 176 SER L CA 6932 C C . SER D 177 ? 0.6670 0.6621 0.7466 0.0240 0.0702 0.0676 176 SER L C 6933 O O . SER D 177 ? 0.7339 0.6938 0.8103 0.0123 0.0829 0.0752 176 SER L O 6934 C CB . SER D 177 ? 0.8662 0.8228 0.8781 0.0500 0.0380 0.1016 176 SER L CB 6935 O OG . SER D 177 ? 0.9454 0.8623 0.9497 0.0376 0.0442 0.1143 176 SER L OG 6936 N N . SER D 178 ? 0.6357 0.6758 0.7452 0.0210 0.0674 0.0487 177 SER L N 6937 C CA . SER D 178 ? 0.7049 0.7555 0.8451 0.0035 0.0788 0.0361 177 SER L CA 6938 C C . SER D 178 ? 0.7598 0.8310 0.9056 0.0036 0.0646 0.0326 177 SER L C 6939 O O . SER D 178 ? 0.8475 0.9614 1.0078 0.0101 0.0560 0.0184 177 SER L O 6940 C CB . SER D 178 ? 0.6547 0.7450 0.8340 -0.0038 0.0941 0.0113 177 SER L CB 6941 O OG . SER D 178 ? 0.5652 0.6704 0.7746 -0.0196 0.1024 -0.0023 177 SER L OG 6942 N N . THR D 179 ? 0.6332 0.6739 0.7673 -0.0035 0.0621 0.0452 178 THR L N 6943 C CA . THR D 179 ? 0.5694 0.6275 0.7073 -0.0041 0.0494 0.0426 178 THR L CA 6944 C C . THR D 179 ? 0.6427 0.7122 0.8125 -0.0208 0.0600 0.0287 178 THR L C 6945 O O . THR D 179 ? 0.6849 0.7220 0.8554 -0.0320 0.0707 0.0347 178 THR L O 6946 C CB . THR D 179 ? 0.6022 0.6235 0.7028 0.0018 0.0351 0.0662 178 THR L CB 6947 O OG1 . THR D 179 ? 0.6665 0.6763 0.7753 -0.0100 0.0366 0.0674 178 THR L OG1 6948 C CG2 . THR D 179 ? 0.6550 0.6287 0.7250 0.0062 0.0381 0.0865 178 THR L CG2 6949 N N . LEU D 180 ? 0.7513 0.8662 0.9466 -0.0220 0.0561 0.0100 179 LEU L N 6950 C CA . LEU D 180 ? 0.7022 0.8317 0.9269 -0.0363 0.0632 -0.0039 179 LEU L CA 6951 C C . LEU D 180 ? 0.6257 0.7555 0.8392 -0.0346 0.0485 0.0022 179 LEU L C 6952 O O . LEU D 180 ? 0.6542 0.7995 0.8520 -0.0230 0.0330 0.0053 179 LEU L O 6953 C CB . LEU D 180 ? 0.6556 0.8357 0.9175 -0.0398 0.0696 -0.0299 179 LEU L CB 6954 C CG . LEU D 180 ? 0.6255 0.8446 0.9110 -0.0438 0.0634 -0.0466 179 LEU L CG 6955 C CD1 . LEU D 180 ? 0.7000 0.9101 1.0059 -0.0603 0.0739 -0.0527 179 LEU L CD1 6956 C CD2 . LEU D 180 ? 0.5304 0.7993 0.8433 -0.0409 0.0647 -0.0689 179 LEU L CD2 6957 N N . THR D 181 ? 0.5089 0.6208 0.7298 -0.0462 0.0532 0.0038 180 THR L N 6958 C CA . THR D 181 ? 0.5076 0.6180 0.7186 -0.0457 0.0408 0.0097 180 THR L CA 6959 C C . THR D 181 ? 0.4414 0.5791 0.6847 -0.0572 0.0450 -0.0089 180 THR L C 6960 O O . THR D 181 ? 0.3360 0.4699 0.6027 -0.0693 0.0590 -0.0185 180 THR L O 6961 C CB . THR D 181 ? 0.5484 0.6077 0.7318 -0.0466 0.0383 0.0323 180 THR L CB 6962 O OG1 . THR D 181 ? 0.6575 0.6911 0.8544 -0.0590 0.0533 0.0311 180 THR L OG1 6963 C CG2 . THR D 181 ? 0.4113 0.4437 0.5596 -0.0342 0.0318 0.0517 180 THR L CG2 6964 N N . LEU D 182 ? 0.5390 0.7033 0.7819 -0.0535 0.0325 -0.0139 181 LEU L N 6965 C CA . LEU D 182 ? 0.5181 0.7085 0.7884 -0.0632 0.0345 -0.0306 181 LEU L CA 6966 C C . LEU D 182 ? 0.5751 0.7587 0.8285 -0.0617 0.0221 -0.0216 181 LEU L C 6967 O O . LEU D 182 ? 0.6767 0.8438 0.8982 -0.0522 0.0104 -0.0047 181 LEU L O 6968 C CB . LEU D 182 ? 0.4386 0.6797 0.7314 -0.0610 0.0326 -0.0518 181 LEU L CB 6969 C CG . LEU D 182 ? 0.5483 0.8073 0.8673 -0.0649 0.0460 -0.0669 181 LEU L CG 6970 C CD1 . LEU D 182 ? 0.5543 0.8631 0.8901 -0.0594 0.0398 -0.0855 181 LEU L CD1 6971 C CD2 . LEU D 182 ? 0.7036 0.9559 1.0503 -0.0809 0.0616 -0.0772 181 LEU L CD2 6972 N N . SER D 183 ? 0.5149 0.7113 0.7895 -0.0714 0.0247 -0.0331 182 SER L N 6973 C CA . SER D 183 ? 0.5771 0.7777 0.8402 -0.0705 0.0132 -0.0291 182 SER L CA 6974 C C . SER D 183 ? 0.5678 0.8074 0.8274 -0.0627 0.0018 -0.0379 182 SER L C 6975 O O . SER D 183 ? 0.5790 0.8472 0.8555 -0.0609 0.0048 -0.0522 182 SER L O 6976 C CB . SER D 183 ? 0.6866 0.8929 0.9754 -0.0827 0.0195 -0.0412 182 SER L CB 6977 O OG . SER D 183 ? 0.8135 1.0625 1.1313 -0.0871 0.0225 -0.0640 182 SER L OG 6978 N N . LYS D 184 ? 0.4979 0.7382 0.7351 -0.0581 -0.0114 -0.0297 183 LYS L N 6979 C CA . LYS D 184 ? 0.4258 0.6991 0.6547 -0.0507 -0.0238 -0.0367 183 LYS L CA 6980 C C . LYS D 184 ? 0.4361 0.7520 0.6988 -0.0569 -0.0197 -0.0617 183 LYS L C 6981 O O . LYS D 184 ? 0.6020 0.9473 0.8702 -0.0510 -0.0239 -0.0728 183 LYS L O 6982 C CB . LYS D 184 ? 0.4297 0.6957 0.6306 -0.0482 -0.0371 -0.0250 183 LYS L CB 6983 C CG . LYS D 184 ? 0.5615 0.8615 0.7543 -0.0427 -0.0497 -0.0340 183 LYS L CG 6984 C CD . LYS D 184 ? 0.7727 1.0695 0.9442 -0.0444 -0.0599 -0.0267 183 LYS L CD 6985 C CE . LYS D 184 ? 0.8154 1.1447 0.9775 -0.0398 -0.0724 -0.0364 183 LYS L CE 6986 N NZ . LYS D 184 ? 0.7957 1.1212 0.9341 -0.0422 -0.0821 -0.0289 183 LYS L NZ 6987 N N . ALA D 185 ? 0.3163 0.6349 0.6014 -0.0683 -0.0120 -0.0708 184 ALA L N 6988 C CA . ALA D 185 ? 0.3378 0.6946 0.6549 -0.0752 -0.0079 -0.0944 184 ALA L CA 6989 C C . ALA D 185 ? 0.4863 0.8603 0.8298 -0.0768 0.0022 -0.1086 184 ALA L C 6990 O O . ALA D 185 ? 0.6230 1.0336 0.9808 -0.0747 -0.0008 -0.1247 184 ALA L O 6991 C CB . ALA D 185 ? 0.2437 0.5948 0.5787 -0.0870 -0.0010 -0.1000 184 ALA L CB 6992 N N . ASP D 186 ? 0.4869 0.8342 0.8366 -0.0808 0.0141 -0.1027 185 ASP L N 6993 C CA . ASP D 186 ? 0.5820 0.9422 0.9554 -0.0834 0.0253 -0.1149 185 ASP L CA 6994 C C . ASP D 186 ? 0.6081 0.9849 0.9701 -0.0709 0.0180 -0.1144 185 ASP L C 6995 O O . ASP D 186 ? 0.6062 1.0132 0.9909 -0.0712 0.0221 -0.1311 185 ASP L O 6996 C CB . ASP D 186 ? 0.6289 0.9513 1.0043 -0.0899 0.0387 -0.1058 185 ASP L CB 6997 C CG . ASP D 186 ? 0.6979 1.0052 1.0889 -0.1025 0.0466 -0.1093 185 ASP L CG 6998 O OD1 . ASP D 186 ? 0.7231 1.0534 1.1295 -0.1070 0.0452 -0.1234 185 ASP L OD1 6999 O OD2 . ASP D 186 ? 0.7542 1.0222 1.1371 -0.1064 0.0533 -0.0969 185 ASP L OD2 7000 N N . TYR D 187 ? 0.5431 0.8999 0.8698 -0.0600 0.0067 -0.0956 186 TYR L N 7001 C CA . TYR D 187 ? 0.4302 0.8002 0.7418 -0.0467 -0.0026 -0.0939 186 TYR L CA 7002 C C . TYR D 187 ? 0.4648 0.8772 0.7835 -0.0425 -0.0138 -0.1098 186 TYR L C 7003 O O . TYR D 187 ? 0.6210 1.0591 0.9475 -0.0353 -0.0170 -0.1202 186 TYR L O 7004 C CB . TYR D 187 ? 0.4660 0.8022 0.7358 -0.0363 -0.0132 -0.0695 186 TYR L CB 7005 C CG . TYR D 187 ? 0.4631 0.8126 0.7129 -0.0214 -0.0264 -0.0672 186 TYR L CG 7006 C CD1 . TYR D 187 ? 0.3704 0.7254 0.6265 -0.0151 -0.0218 -0.0708 186 TYR L CD1 7007 C CD2 . TYR D 187 ? 0.5939 0.9498 0.8177 -0.0137 -0.0436 -0.0618 186 TYR L CD2 7008 C CE1 . TYR D 187 ? 0.4023 0.7693 0.6406 -0.0005 -0.0346 -0.0695 186 TYR L CE1 7009 C CE2 . TYR D 187 ? 0.7204 1.0863 0.9242 0.0003 -0.0568 -0.0598 186 TYR L CE2 7010 C CZ . TYR D 187 ? 0.5991 0.9707 0.8108 0.0074 -0.0526 -0.0639 186 TYR L CZ 7011 O OH . TYR D 187 ? 0.5651 0.9464 0.7571 0.0222 -0.0666 -0.0626 186 TYR L OH 7012 N N . GLU D 188 ? 0.4743 0.8937 0.7904 -0.0470 -0.0199 -0.1121 187 GLU L N 7013 C CA . GLU D 188 ? 0.5849 1.0417 0.9049 -0.0439 -0.0310 -0.1265 187 GLU L CA 7014 C C . GLU D 188 ? 0.5814 1.0712 0.9406 -0.0520 -0.0219 -0.1508 187 GLU L C 7015 O O . GLU D 188 ? 0.4447 0.9520 0.7994 -0.0476 -0.0289 -0.1609 187 GLU L O 7016 C CB . GLU D 188 ? 0.6346 1.0855 0.9355 -0.0464 -0.0402 -0.1198 187 GLU L CB 7017 C CG . GLU D 188 ? 0.7152 1.1370 0.9727 -0.0374 -0.0524 -0.0968 187 GLU L CG 7018 C CD . GLU D 188 ? 0.8838 1.3199 1.1190 -0.0238 -0.0678 -0.0960 187 GLU L CD 7019 O OE1 . GLU D 188 ? 0.9555 1.4268 1.2032 -0.0224 -0.0735 -0.1134 187 GLU L OE1 7020 O OE2 . GLU D 188 ? 0.9423 1.3534 1.1469 -0.0143 -0.0749 -0.0782 187 GLU L OE2 7021 N N . LYS D 189 ? 0.6195 1.0943 0.9990 -0.0616 -0.0055 -0.1537 188 LYS L N 7022 C CA . LYS D 189 ? 0.4879 0.9670 0.8844 -0.0674 0.0042 -0.1687 188 LYS L CA 7023 C C . LYS D 189 ? 0.5261 1.0226 0.9348 -0.0627 0.0075 -0.1792 188 LYS L C 7024 O O . LYS D 189 ? 0.5648 1.0713 0.9852 -0.0655 0.0119 -0.1930 188 LYS L O 7025 C CB . LYS D 189 ? 0.3554 0.8083 0.7639 -0.0794 0.0187 -0.1669 188 LYS L CB 7026 C CG . LYS D 189 ? 0.4418 0.8804 0.8420 -0.0846 0.0164 -0.1621 188 LYS L CG 7027 C CD . LYS D 189 ? 0.5428 0.9666 0.9557 -0.0939 0.0279 -0.1694 188 LYS L CD 7028 C CE . LYS D 189 ? 0.5334 0.9251 0.9489 -0.1012 0.0370 -0.1589 188 LYS L CE 7029 N NZ . LYS D 189 ? 0.5268 0.9042 0.9297 -0.1022 0.0310 -0.1477 188 LYS L NZ 7030 N N . HIS D 190 ? 0.5505 1.0514 0.9564 -0.0552 0.0049 -0.1729 189 HIS L N 7031 C CA . HIS D 190 ? 0.5501 1.0667 0.9681 -0.0502 0.0087 -0.1822 189 HIS L CA 7032 C C . HIS D 190 ? 0.6028 1.1410 1.0067 -0.0348 -0.0074 -0.1820 189 HIS L C 7033 O O . HIS D 190 ? 0.6497 1.1869 1.0321 -0.0279 -0.0212 -0.1713 189 HIS L O 7034 C CB . HIS D 190 ? 0.5704 1.0704 1.0002 -0.0553 0.0235 -0.1766 189 HIS L CB 7035 C CG . HIS D 190 ? 0.7291 1.2047 1.1702 -0.0698 0.0387 -0.1772 189 HIS L CG 7036 N ND1 . HIS D 190 ? 0.8127 1.2664 1.2470 -0.0768 0.0393 -0.1685 189 HIS L ND1 7037 C CD2 . HIS D 190 ? 0.8133 1.2821 1.2700 -0.0781 0.0529 -0.1854 189 HIS L CD2 7038 C CE1 . HIS D 190 ? 0.8276 1.2614 1.2723 -0.0878 0.0525 -0.1713 189 HIS L CE1 7039 N NE2 . HIS D 190 ? 0.8513 1.2937 1.3089 -0.0891 0.0608 -0.1814 189 HIS L NE2 7040 N N . LYS D 191 ? 0.5270 1.0834 0.9410 -0.0291 -0.0065 -0.1934 190 LYS L N 7041 C CA . LYS D 191 ? 0.5794 1.1555 0.9795 -0.0134 -0.0227 -0.1952 190 LYS L CA 7042 C C . LYS D 191 ? 0.7779 1.3572 1.1792 -0.0037 -0.0220 -0.1904 190 LYS L C 7043 O O . LYS D 191 ? 0.8882 1.4528 1.2602 0.0075 -0.0337 -0.1747 190 LYS L O 7044 C CB . LYS D 191 ? 0.4703 1.0672 0.8781 -0.0115 -0.0259 -0.2130 190 LYS L CB 7045 C CG . LYS D 191 ? 0.5398 1.1545 0.9321 0.0049 -0.0431 -0.2159 190 LYS L CG 7046 C CD . LYS D 191 ? 0.6396 1.2725 1.0358 0.0060 -0.0481 -0.2325 190 LYS L CD 7047 C CE . LYS D 191 ? 0.5394 1.1861 0.9178 0.0226 -0.0657 -0.2349 190 LYS L CE 7048 N NZ . LYS D 191 ? 0.3182 0.9808 0.6974 0.0240 -0.0719 -0.2498 190 LYS L NZ 7049 N N . VAL D 192 ? 0.8393 1.4233 1.2625 -0.0077 -0.0079 -0.2001 191 VAL L N 7050 C CA . VAL D 192 ? 0.7993 1.3883 1.2254 0.0017 -0.0056 -0.1979 191 VAL L CA 7051 C C . VAL D 192 ? 0.7655 1.3185 1.1880 -0.0061 0.0107 -0.1834 191 VAL L C 7052 O O . VAL D 192 ? 0.7968 1.3472 1.2442 -0.0212 0.0281 -0.1902 191 VAL L O 7053 C CB . VAL D 192 ? 0.8477 1.4569 1.2909 0.0040 -0.0014 -0.2152 191 VAL L CB 7054 C CG1 . VAL D 192 ? 0.9061 1.5130 1.3695 -0.0122 0.0129 -0.2272 191 VAL L CG1 7055 C CG2 . VAL D 192 ? 0.8480 1.4587 1.2979 0.0104 0.0063 -0.2134 191 VAL L CG2 7056 N N . TYR D 193 ? 0.7255 1.2453 1.1119 0.0043 0.0041 -0.1621 192 TYR L N 7057 C CA . TYR D 193 ? 0.7825 1.2612 1.1569 -0.0006 0.0175 -0.1457 192 TYR L CA 7058 C C . TYR D 193 ? 0.8507 1.3308 1.2227 0.0095 0.0207 -0.1456 192 TYR L C 7059 O O . TYR D 193 ? 0.9598 1.4501 1.3149 0.0257 0.0057 -0.1439 192 TYR L O 7060 C CB . TYR D 193 ? 0.8383 1.2743 1.1725 0.0027 0.0085 -0.1203 192 TYR L CB 7061 C CG . TYR D 193 ? 0.8171 1.2466 1.1547 -0.0090 0.0088 -0.1192 192 TYR L CG 7062 C CD1 . TYR D 193 ? 0.7678 1.2160 1.0985 -0.0055 -0.0065 -0.1231 192 TYR L CD1 7063 C CD2 . TYR D 193 ? 0.7972 1.2017 1.1448 -0.0237 0.0243 -0.1152 192 TYR L CD2 7064 C CE1 . TYR D 193 ? 0.6886 1.1324 1.0235 -0.0162 -0.0056 -0.1231 192 TYR L CE1 7065 C CE2 . TYR D 193 ? 0.7465 1.1460 1.0987 -0.0338 0.0243 -0.1153 192 TYR L CE2 7066 C CZ . TYR D 193 ? 0.6856 1.1056 1.0320 -0.0300 0.0097 -0.1195 192 TYR L CZ 7067 O OH . TYR D 193 ? 0.7161 1.1321 1.0676 -0.0399 0.0103 -0.1204 192 TYR L OH 7068 N N . ALA D 194 ? 0.7009 1.1697 1.0887 -0.0001 0.0402 -0.1474 193 ALA L N 7069 C CA . ALA D 194 ? 0.6081 1.0829 0.9993 0.0076 0.0461 -0.1508 193 ALA L CA 7070 C C . ALA D 194 ? 0.6384 1.0743 1.0223 -0.0006 0.0640 -0.1383 193 ALA L C 7071 O O . ALA D 194 ? 0.5729 0.9915 0.9678 -0.0169 0.0781 -0.1375 193 ALA L O 7072 C CB . ALA D 194 ? 0.4582 0.9838 0.8914 0.0049 0.0521 -0.1785 193 ALA L CB 7073 N N . CYS D 195 ? 0.8509 1.2721 1.2150 0.0110 0.0630 -0.1287 194 CYS L N 7074 C CA . CYS D 195 ? 0.9662 1.3550 1.3251 0.0040 0.0809 -0.1196 194 CYS L CA 7075 C C . CYS D 195 ? 1.0750 1.4880 1.4500 0.0101 0.0888 -0.1327 194 CYS L C 7076 O O . CYS D 195 ? 1.0374 1.4645 1.4007 0.0276 0.0755 -0.1329 194 CYS L O 7077 C CB . CYS D 195 ? 0.8613 1.1970 1.1754 0.0104 0.0746 -0.0911 194 CYS L CB 7078 S SG . CYS D 195 ? 1.4470 1.7793 1.7235 0.0354 0.0513 -0.0781 194 CYS L SG 7079 N N . GLU D 196 ? 1.0781 1.4959 1.4800 -0.0048 0.1105 -0.1441 195 GLU L N 7080 C CA . GLU D 196 ? 1.0053 1.4489 1.4274 -0.0019 0.1211 -0.1590 195 GLU L CA 7081 C C . GLU D 196 ? 0.9505 1.3535 1.3532 -0.0050 0.1359 -0.1447 195 GLU L C 7082 O O . GLU D 196 ? 0.8839 1.2458 1.2736 -0.0177 0.1461 -0.1311 195 GLU L O 7083 C CB . GLU D 196 ? 1.0405 1.5250 1.5098 -0.0169 0.1354 -0.1853 195 GLU L CB 7084 C CG . GLU D 196 ? 1.0937 1.6230 1.5905 -0.0103 0.1394 -0.2066 195 GLU L CG 7085 C CD . GLU D 196 ? 1.1180 1.6821 1.6515 -0.0231 0.1461 -0.2295 195 GLU L CD 7086 O OE1 . GLU D 196 ? 1.1418 1.6869 1.6791 -0.0409 0.1549 -0.2282 195 GLU L OE1 7087 O OE2 . GLU D 196 ? 1.1226 1.7172 1.6664 -0.0147 0.1379 -0.2436 195 GLU L OE2 7088 N N . VAL D 197 ? 0.9414 1.3555 1.3417 0.0070 0.1368 -0.1481 196 VAL L N 7089 C CA . VAL D 197 ? 0.9853 1.3603 1.3623 0.0071 0.1484 -0.1334 196 VAL L CA 7090 C C . VAL D 197 ? 1.0058 1.4050 1.4102 0.0018 0.1679 -0.1513 196 VAL L C 7091 O O . VAL D 197 ? 0.9254 1.3731 1.3563 0.0096 0.1645 -0.1717 196 VAL L O 7092 C CB . VAL D 197 ? 0.9473 1.3003 1.2837 0.0289 0.1299 -0.1145 196 VAL L CB 7093 C CG1 . VAL D 197 ? 0.9467 1.2518 1.2544 0.0280 0.1411 -0.0961 196 VAL L CG1 7094 C CG2 . VAL D 197 ? 0.9306 1.2664 1.2417 0.0349 0.1093 -0.0991 196 VAL L CG2 7095 N N . THR D 198 ? 1.1883 1.5532 1.5859 -0.0119 0.1882 -0.1439 197 THR L N 7096 C CA . THR D 198 ? 1.2518 1.6316 1.6678 -0.0166 0.2076 -0.1572 197 THR L CA 7097 C C . THR D 198 ? 1.2487 1.5798 1.6283 -0.0130 0.2146 -0.1369 197 THR L C 7098 O O . THR D 198 ? 1.3148 1.6020 1.6794 -0.0278 0.2283 -0.1242 197 THR L O 7099 C CB . THR D 198 ? 1.2727 1.6668 1.7247 -0.0411 0.2306 -0.1747 197 THR L CB 7100 O OG1 . THR D 198 ? 1.3104 1.7543 1.7983 -0.0432 0.2240 -0.1957 197 THR L OG1 7101 C CG2 . THR D 198 ? 1.1754 1.5820 1.6432 -0.0467 0.2517 -0.1872 197 THR L CG2 7102 N N . HIS D 199 ? 1.3679 1.6147 1.3995 -0.0956 0.2945 -0.0854 198 HIS L N 7103 C CA . HIS D 199 ? 1.2743 1.5050 1.2946 -0.0911 0.2988 -0.0810 198 HIS L CA 7104 C C . HIS D 199 ? 1.2449 1.5216 1.2997 -0.1046 0.3100 -0.1080 198 HIS L C 7105 O O . HIS D 199 ? 1.2258 1.4875 1.2668 -0.1271 0.3367 -0.1221 198 HIS L O 7106 C CB . HIS D 199 ? 1.2247 1.4608 1.2505 -0.0627 0.2703 -0.0604 198 HIS L CB 7107 C CG . HIS D 199 ? 1.1675 1.3952 1.1883 -0.0558 0.2713 -0.0571 198 HIS L CG 7108 N ND1 . HIS D 199 ? 1.1997 1.3723 1.1785 -0.0583 0.2851 -0.0455 198 HIS L ND1 7109 C CD2 . HIS D 199 ? 1.1352 1.4015 1.1863 -0.0456 0.2590 -0.0643 198 HIS L CD2 7110 C CE1 . HIS D 199 ? 1.1919 1.3708 1.1766 -0.0508 0.2824 -0.0454 198 HIS L CE1 7111 N NE2 . HIS D 199 ? 1.1645 1.4001 1.1930 -0.0427 0.2665 -0.0570 198 HIS L NE2 7112 N N . GLN D 200 ? 1.3987 1.7309 1.4967 -0.0908 0.2890 -0.1158 199 GLN L N 7113 C CA . GLN D 200 ? 1.3888 1.7745 1.5263 -0.0989 0.2942 -0.1437 199 GLN L CA 7114 C C . GLN D 200 ? 1.4887 1.9260 1.6666 -0.0765 0.2628 -0.1461 199 GLN L C 7115 O O . GLN D 200 ? 1.5262 1.9521 1.6968 -0.0539 0.2392 -0.1243 199 GLN L O 7116 C CB . GLN D 200 ? 1.2272 1.6000 1.3536 -0.1047 0.3099 -0.1491 199 GLN L CB 7117 C CG . GLN D 200 ? 1.2144 1.5985 1.3447 -0.1352 0.3416 -0.1767 199 GLN L CG 7118 C CD . GLN D 200 ? 1.2740 1.6149 1.3686 -0.1472 0.3643 -0.1737 199 GLN L CD 7119 O OE1 . GLN D 200 ? 1.2646 1.6318 1.3750 -0.1572 0.3772 -0.1937 199 GLN L OE1 7120 N NE2 . GLN D 200 ? 1.3067 1.5812 1.3521 -0.1459 0.3689 -0.1494 199 GLN L NE2 7121 N N . GLY D 201 ? 1.6151 2.1074 1.8333 -0.0834 0.2624 -0.1729 200 GLY L N 7122 C CA . GLY D 201 ? 1.7168 2.2546 1.9699 -0.0644 0.2324 -0.1765 200 GLY L CA 7123 C C . GLY D 201 ? 1.8380 2.4158 2.1200 -0.0782 0.2373 -0.2000 200 GLY L C 7124 O O . GLY D 201 ? 1.9103 2.4787 2.1854 -0.0801 0.2330 -0.1913 200 GLY L O 7125 N N . LEU D 202 ? 1.7354 2.3609 2.0515 -0.0868 0.2452 -0.2309 201 LEU L N 7126 C CA . LEU D 202 ? 1.7482 2.4105 2.0898 -0.1077 0.2602 -0.2590 201 LEU L CA 7127 C C . LEU D 202 ? 1.9346 2.5546 2.2430 -0.1358 0.2924 -0.2566 201 LEU L C 7128 O O . LEU D 202 ? 2.0086 2.6396 2.3242 -0.1521 0.3022 -0.2686 201 LEU L O 7129 C CB . LEU D 202 ? 1.5450 2.2400 1.9121 -0.0960 0.2358 -0.2618 201 LEU L CB 7130 C CG . LEU D 202 ? 1.3322 2.0937 1.7479 -0.0848 0.2173 -0.2893 201 LEU L CG 7131 C CD1 . LEU D 202 ? 1.2060 1.9890 1.6383 -0.0736 0.1931 -0.2878 201 LEU L CD1 7132 C CD2 . LEU D 202 ? 1.2964 2.0983 1.7389 -0.1079 0.2425 -0.3259 201 LEU L CD2 7133 N N . SER D 203 ? 2.0581 2.6282 2.3287 -0.1406 0.3074 -0.2412 202 SER L N 7134 C CA . SER D 203 ? 2.0748 2.5903 2.3025 -0.1638 0.3353 -0.2339 202 SER L CA 7135 C C . SER D 203 ? 2.1157 2.6083 2.3274 -0.1682 0.3338 -0.2230 202 SER L C 7136 O O . SER D 203 ? 2.1710 2.6673 2.3829 -0.1923 0.3535 -0.2397 202 SER L O 7137 C CB . SER D 203 ? 2.0272 2.5565 2.2596 -0.1949 0.3678 -0.2626 202 SER L CB 7138 O OG . SER D 203 ? 1.9587 2.5040 2.2007 -0.1917 0.3715 -0.2717 202 SER L OG 7139 N N . SER D 204 ? 2.0701 2.5410 2.2683 -0.1453 0.3105 -0.1962 203 SER L N 7140 C CA . SER D 204 ? 2.0550 2.4977 2.2322 -0.1465 0.3080 -0.1824 203 SER L CA 7141 C C . SER D 204 ? 2.0408 2.5305 2.2529 -0.1518 0.3015 -0.2003 203 SER L C 7142 O O . SER D 204 ? 2.0733 2.6106 2.3203 -0.1626 0.3078 -0.2274 203 SER L O 7143 C CB . SER D 204 ? 2.0625 2.4464 2.1933 -0.1686 0.3364 -0.1788 203 SER L CB 7144 O OG . SER D 204 ? 2.0380 2.3823 2.1390 -0.1632 0.3309 -0.1596 203 SER L OG 7145 N N . PRO D 205 ? 2.0600 2.5393 2.2644 -0.1436 0.2881 -0.1864 204 PRO L N 7146 C CA . PRO D 205 ? 2.0094 2.4456 2.1808 -0.1274 0.2752 -0.1567 204 PRO L CA 7147 C C . PRO D 205 ? 1.8891 2.3547 2.0818 -0.1043 0.2432 -0.1456 204 PRO L C 7148 O O . PRO D 205 ? 1.9515 2.4229 2.1466 -0.1041 0.2363 -0.1437 204 PRO L O 7149 C CB . PRO D 205 ? 2.0708 2.4761 2.2174 -0.1448 0.2919 -0.1580 204 PRO L CB 7150 C CG . PRO D 205 ? 2.0717 2.5259 2.2550 -0.1614 0.2988 -0.1862 204 PRO L CG 7151 C CD . PRO D 205 ? 2.0586 2.5623 2.2802 -0.1602 0.2961 -0.2052 204 PRO L CD 7152 N N . VAL D 206 ? 1.4868 1.9684 1.6921 -0.0855 0.2241 -0.1383 205 VAL L N 7153 C CA . VAL D 206 ? 1.3249 1.8289 1.5446 -0.0642 0.1929 -0.1262 205 VAL L CA 7154 C C . VAL D 206 ? 1.2181 1.6877 1.4079 -0.0560 0.1846 -0.1014 205 VAL L C 7155 O O . VAL D 206 ? 1.1839 1.6092 1.3400 -0.0530 0.1911 -0.0840 205 VAL L O 7156 C CB . VAL D 206 ? 1.3472 1.8620 1.5757 -0.0458 0.1747 -0.1195 205 VAL L CB 7157 C CG1 . VAL D 206 ? 1.4083 1.8806 1.6068 -0.0465 0.1888 -0.1077 205 VAL L CG1 7158 C CG2 . VAL D 206 ? 1.2676 1.7882 1.4960 -0.0249 0.1436 -0.1001 205 VAL L CG2 7159 N N . THR D 207 ? 1.3452 1.8368 1.5477 -0.0523 0.1701 -0.1012 206 THR L N 7160 C CA . THR D 207 ? 1.2746 1.7409 1.4525 -0.0456 0.1624 -0.0812 206 THR L CA 7161 C C . THR D 207 ? 1.1903 1.6784 1.3781 -0.0274 0.1321 -0.0680 206 THR L C 7162 O O . THR D 207 ? 1.1752 1.7009 1.3913 -0.0218 0.1162 -0.0774 206 THR L O 7163 C CB . THR D 207 ? 1.1339 1.5985 1.3094 -0.0603 0.1754 -0.0912 206 THR L CB 7164 O OG1 . THR D 207 ? 1.1164 1.5431 1.2585 -0.0559 0.1759 -0.0729 206 THR L OG1 7165 C CG2 . THR D 207 ? 0.9752 1.4869 1.1835 -0.0589 0.1596 -0.1027 206 THR L CG2 7166 N N . LYS D 208 ? 1.0059 1.4694 1.1684 -0.0186 0.1238 -0.0468 207 LYS L N 7167 C CA . LYS D 208 ? 0.9894 1.4689 1.1550 -0.0042 0.0967 -0.0325 207 LYS L CA 7168 C C . LYS D 208 ? 1.0343 1.5055 1.1851 -0.0050 0.0951 -0.0241 207 LYS L C 7169 O O . LYS D 208 ? 1.0512 1.4878 1.1746 -0.0059 0.1068 -0.0149 207 LYS L O 7170 C CB . LYS D 208 ? 0.9493 1.4092 1.0979 0.0097 0.0854 -0.0131 207 LYS L CB 7171 C CG . LYS D 208 ? 0.8958 1.3732 1.0627 0.0156 0.0766 -0.0196 207 LYS L CG 7172 C CD . LYS D 208 ? 0.9060 1.4227 1.0979 0.0219 0.0524 -0.0259 207 LYS L CD 7173 C CE . LYS D 208 ? 0.8707 1.4030 1.0784 0.0308 0.0403 -0.0323 207 LYS L CE 7174 N NZ . LYS D 208 ? 0.8194 1.3849 1.0468 0.0387 0.0141 -0.0380 207 LYS L NZ 7175 N N . SER D 209 ? 0.9733 1.4759 1.1414 -0.0041 0.0799 -0.0280 208 SER L N 7176 C CA . SER D 209 ? 0.9146 1.4156 1.0730 -0.0064 0.0793 -0.0240 208 SER L CA 7177 C C . SER D 209 ? 0.8322 1.3569 0.9954 0.0025 0.0534 -0.0140 208 SER L C 7178 O O . SER D 209 ? 0.7372 1.2881 0.9197 0.0064 0.0370 -0.0185 208 SER L O 7179 C CB . SER D 209 ? 1.0213 1.5361 1.1953 -0.0209 0.0939 -0.0449 208 SER L CB 7180 O OG . SER D 209 ? 1.1604 1.6628 1.3365 -0.0319 0.1158 -0.0585 208 SER L OG 7181 N N . PHE D 210 ? 0.9130 1.4278 1.0573 0.0056 0.0496 -0.0014 209 PHE L N 7182 C CA . PHE D 210 ? 0.8647 1.4024 1.0113 0.0104 0.0277 0.0066 209 PHE L CA 7183 C C . PHE D 210 ? 0.8469 1.3904 0.9898 0.0050 0.0321 0.0030 209 PHE L C 7184 O O . PHE D 210 ? 0.8383 1.3583 0.9641 0.0032 0.0473 0.0042 209 PHE L O 7185 C CB . PHE D 210 ? 0.8229 1.3490 0.9496 0.0209 0.0131 0.0279 209 PHE L CB 7186 C CG . PHE D 210 ? 0.8896 1.3892 0.9903 0.0239 0.0226 0.0391 209 PHE L CG 7187 C CD1 . PHE D 210 ? 0.8580 1.3658 0.9485 0.0251 0.0156 0.0458 209 PHE L CD1 7188 C CD2 . PHE D 210 ? 0.9670 1.4339 1.0526 0.0261 0.0380 0.0418 209 PHE L CD2 7189 C CE1 . PHE D 210 ? 0.8431 1.3288 0.9105 0.0297 0.0230 0.0538 209 PHE L CE1 7190 C CE2 . PHE D 210 ? 0.9405 1.3817 1.0009 0.0308 0.0450 0.0508 209 PHE L CE2 7191 C CZ . PHE D 210 ? 0.8757 1.3273 0.9277 0.0333 0.0371 0.0563 209 PHE L CZ 7192 N N . ASN D 211 ? 0.8312 1.4047 0.9887 0.0030 0.0180 -0.0020 210 ASN L N 7193 C CA . ASN D 211 ? 0.8633 1.4459 1.0171 -0.0009 0.0185 -0.0038 210 ASN L CA 7194 C C . ASN D 211 ? 0.7869 1.3685 0.9207 0.0058 0.0051 0.0141 210 ASN L C 7195 O O . ASN D 211 ? 0.8213 1.4138 0.9539 0.0102 -0.0138 0.0242 210 ASN L O 7196 C CB . ASN D 211 ? 0.9376 1.5528 1.1150 -0.0064 0.0094 -0.0178 210 ASN L CB 7197 C CG . ASN D 211 ? 0.9462 1.5652 1.1421 -0.0162 0.0271 -0.0388 210 ASN L CG 7198 O OD1 . ASN D 211 ? 0.9918 1.5871 1.1783 -0.0211 0.0478 -0.0426 210 ASN L OD1 7199 N ND2 . ASN D 211 ? 0.8581 1.5063 1.0788 -0.0194 0.0186 -0.0531 210 ASN L ND2 7200 N N . ARG D 212 ? 0.7228 1.2912 0.8399 0.0064 0.0146 0.0172 211 ARG L N 7201 C CA . ARG D 212 ? 0.7825 1.3519 0.8808 0.0125 0.0044 0.0321 211 ARG L CA 7202 C C . ARG D 212 ? 0.9159 1.5168 1.0201 0.0098 -0.0148 0.0348 211 ARG L C 7203 O O . ARG D 212 ? 1.0022 1.6206 1.1159 0.0041 -0.0143 0.0248 211 ARG L O 7204 C CB . ARG D 212 ? 0.7559 1.3087 0.8375 0.0145 0.0178 0.0305 211 ARG L CB 7205 C CG . ARG D 212 ? 0.7036 1.2568 0.7656 0.0221 0.0094 0.0440 211 ARG L CG 7206 C CD . ARG D 212 ? 0.6767 1.2179 0.7242 0.0255 0.0204 0.0390 211 ARG L CD 7207 N NE . ARG D 212 ? 0.6728 1.2297 0.7316 0.0182 0.0241 0.0256 211 ARG L NE 7208 C CZ . ARG D 212 ? 0.7351 1.3228 0.7995 0.0154 0.0130 0.0248 211 ARG L CZ 7209 N NH1 . ARG D 212 ? 0.7530 1.3591 0.8117 0.0178 -0.0020 0.0365 211 ARG L NH1 7210 N NH2 . ARG D 212 ? 0.7810 1.3809 0.8556 0.0091 0.0172 0.0122 211 ARG L NH2 7211 N N . GLY D 213 ? 0.9939 1.6001 1.0905 0.0131 -0.0317 0.0484 212 GLY L N 7212 C CA . GLY D 213 ? 0.9612 1.5924 1.0581 0.0093 -0.0510 0.0524 212 GLY L CA 7213 C C . GLY D 213 ? 0.8885 1.5289 0.9990 0.0082 -0.0654 0.0489 212 GLY L C 7214 O O . GLY D 213 ? 0.7759 1.4236 0.9062 0.0057 -0.0607 0.0340 212 GLY L 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 PRO 1 9 9 PRO PRO A . n A 1 2 GLY 2 10 10 GLY GLY A . n A 1 3 ASP 3 11 11 ASP ASP A . n A 1 4 GLN 4 12 12 GLN GLN A . n A 1 5 ILE 5 13 13 ILE ILE A . n A 1 6 CYS 6 14 14 CYS CYS A . n A 1 7 ILE 7 15 15 ILE ILE A . n A 1 8 GLY 8 16 16 GLY GLY A . n A 1 9 TYR 9 17 17 TYR TYR A . n A 1 10 HIS 10 18 18 HIS HIS A . n A 1 11 ALA 11 19 19 ALA ALA A . n A 1 12 ASN 12 20 20 ASN ASN A . n A 1 13 ASN 13 21 21 ASN ASN A . n A 1 14 SER 14 22 22 SER SER A . n A 1 15 THR 15 23 23 THR THR A . n A 1 16 GLU 16 24 24 GLU GLU A . n A 1 17 LYS 17 25 25 LYS LYS A . n A 1 18 VAL 18 26 26 VAL VAL A . n A 1 19 ASP 19 27 27 ASP ASP A . n A 1 20 THR 20 28 28 THR THR A . n A 1 21 ILE 21 29 29 ILE ILE A . n A 1 22 LEU 22 30 30 LEU LEU A . n A 1 23 GLU 23 31 31 GLU GLU A . n A 1 24 ARG 24 32 32 ARG ARG A . n A 1 25 ASN 25 33 33 ASN ASN A . n A 1 26 VAL 26 34 34 VAL VAL A . n A 1 27 THR 27 35 35 THR THR A . n A 1 28 VAL 28 36 36 VAL VAL A . n A 1 29 THR 29 37 37 THR THR A . n A 1 30 HIS 30 38 38 HIS HIS A . n A 1 31 ALA 31 39 39 ALA ALA A . n A 1 32 LYS 32 40 40 LYS LYS A . n A 1 33 ASP 33 41 41 ASP ASP A . n A 1 34 ILE 34 42 42 ILE ILE A . n A 1 35 LEU 35 43 43 LEU LEU A . n A 1 36 GLU 36 44 44 GLU GLU A . n A 1 37 LYS 37 45 45 LYS LYS A . n A 1 38 THR 38 46 46 THR THR A . n A 1 39 HIS 39 47 47 HIS HIS A . n A 1 40 ASN 40 48 48 ASN ASN A . n A 1 41 GLY 41 49 49 GLY GLY A . n A 1 42 LYS 42 50 50 LYS LYS A . n A 1 43 LEU 43 51 51 LEU LEU A . n A 1 44 CYS 44 52 52 CYS CYS A . n A 1 45 LYS 45 53 53 LYS LYS A . n A 1 46 LEU 46 53 53 LEU LEU A A n A 1 47 ASN 47 54 54 ASN ASN A . n A 1 48 GLY 48 55 55 GLY GLY A . n A 1 49 ILE 49 56 56 ILE ILE A . n A 1 50 PRO 50 57 57 PRO PRO A . n A 1 51 PRO 51 58 58 PRO PRO A . n A 1 52 LEU 52 59 59 LEU LEU A . n A 1 53 GLU 53 60 60 GLU GLU A . n A 1 54 LEU 54 61 61 LEU LEU A . n A 1 55 GLY 55 62 62 GLY GLY A . n A 1 56 ASP 56 63 63 ASP ASP A . n A 1 57 CYS 57 64 64 CYS CYS A . n A 1 58 SER 58 65 65 SER SER A . n A 1 59 ILE 59 66 66 ILE ILE A . n A 1 60 ALA 60 67 67 ALA ALA A . n A 1 61 GLY 61 68 68 GLY GLY A . n A 1 62 TRP 62 69 69 TRP TRP A . n A 1 63 LEU 63 70 70 LEU LEU A . n A 1 64 LEU 64 71 71 LEU LEU A . n A 1 65 GLY 65 72 72 GLY GLY A . n A 1 66 ASN 66 73 73 ASN ASN A . n A 1 67 PRO 67 74 74 PRO PRO A . n A 1 68 GLU 68 75 75 GLU GLU A . n A 1 69 CYS 69 76 76 CYS CYS A . n A 1 70 ASP 70 77 77 ASP ASP A . n A 1 71 ARG 71 78 78 ARG ARG A . n A 1 72 LEU 72 79 79 LEU LEU A . n A 1 73 LEU 73 80 80 LEU LEU A . n A 1 74 SER 74 81 81 SER SER A . n A 1 75 VAL 75 81 81 VAL VAL A A n A 1 76 PRO 76 82 82 PRO PRO A . n A 1 77 GLU 77 83 83 GLU GLU A . n A 1 78 TRP 78 84 84 TRP TRP A . n A 1 79 SER 79 85 85 SER SER A . n A 1 80 TYR 80 86 86 TYR TYR A . n A 1 81 ILE 81 87 87 ILE ILE A . n A 1 82 MET 82 88 88 MET MET A . n A 1 83 GLU 83 89 89 GLU GLU A . n A 1 84 LYS 84 90 90 LYS LYS A . n A 1 85 GLU 85 91 91 GLU GLU A . n A 1 86 ASN 86 92 92 ASN ASN A . n A 1 87 PRO 87 93 93 PRO PRO A . n A 1 88 ARG 88 94 94 ARG ARG A . n A 1 89 ASP 89 94 ? ? ? A A n A 1 90 GLY 90 94 ? ? ? A B n A 1 91 LEU 91 96 96 LEU LEU A . n A 1 92 CYS 92 97 97 CYS CYS A . n A 1 93 TYR 93 98 98 TYR TYR A . n A 1 94 PRO 94 99 99 PRO PRO A . n A 1 95 GLY 95 100 100 GLY GLY A . n A 1 96 SER 96 101 101 SER SER A . n A 1 97 PHE 97 102 102 PHE PHE A . n A 1 98 ASN 98 103 103 ASN ASN A . n A 1 99 ASP 99 104 104 ASP ASP A . n A 1 100 TYR 100 105 105 TYR TYR A . n A 1 101 GLU 101 106 106 GLU GLU A . n A 1 102 GLU 102 107 107 GLU GLU A . n A 1 103 LEU 103 108 108 LEU LEU A . n A 1 104 LYS 104 109 109 LYS LYS A . n A 1 105 TYR 105 110 110 TYR TYR A . n A 1 106 LEU 106 111 111 LEU LEU A . n A 1 107 LEU 107 112 112 LEU LEU A . n A 1 108 SER 108 113 113 SER SER A . n A 1 109 SER 109 114 114 SER SER A . n A 1 110 VAL 110 115 115 VAL VAL A . n A 1 111 LYS 111 116 116 LYS LYS A . n A 1 112 HIS 112 116 116 HIS HIS A A n A 1 113 PHE 113 116 116 PHE PHE A B n A 1 114 GLU 114 116 116 GLU GLU A C n A 1 115 LYS 115 117 117 LYS LYS A . n A 1 116 VAL 116 118 118 VAL VAL A . n A 1 117 LYS 117 119 119 LYS LYS A . n A 1 118 ILE 118 120 120 ILE ILE A . n A 1 119 LEU 119 121 121 LEU LEU A . n A 1 120 PRO 120 122 122 PRO PRO A . n A 1 121 LYS 121 123 123 LYS LYS A . n A 1 122 ASP 122 125 125 ASP ASP A . n A 1 123 ARG 123 126 126 ARG ARG A . n A 1 124 TRP 124 127 127 TRP TRP A . n A 1 125 THR 125 128 128 THR THR A . n A 1 126 GLN 126 129 129 GLN GLN A . n A 1 127 HIS 127 130 130 HIS HIS A . n A 1 128 THR 128 131 131 THR THR A . n A 1 129 THR 129 132 132 THR THR A . n A 1 130 THR 130 133 133 THR THR A . n A 1 131 GLY 131 134 134 GLY GLY A . n A 1 132 GLY 132 135 135 GLY GLY A . n A 1 133 SER 133 136 136 SER SER A . n A 1 134 ARG 134 137 137 ARG ARG A . n A 1 135 ALA 135 138 138 ALA ALA A . n A 1 136 CYS 136 139 139 CYS CYS A . n A 1 137 ALA 137 140 140 ALA ALA A . n A 1 138 VAL 138 141 141 VAL VAL A . n A 1 139 SER 139 142 142 SER SER A . n A 1 140 GLY 140 143 143 GLY GLY A . n A 1 141 ASN 141 144 144 ASN ASN A . n A 1 142 PRO 142 145 145 PRO PRO A . n A 1 143 SER 143 146 146 SER SER A . n A 1 144 PHE 144 147 147 PHE PHE A . n A 1 145 PHE 145 148 148 PHE PHE A . n A 1 146 ARG 146 149 149 ARG ARG A . n A 1 147 ASN 147 150 150 ASN ASN A . n A 1 148 MET 148 151 151 MET MET A . n A 1 149 VAL 149 152 152 VAL VAL A . n A 1 150 TRP 150 153 153 TRP TRP A . n A 1 151 LEU 151 154 154 LEU LEU A . n A 1 152 THR 152 155 155 THR THR A . n A 1 153 LYS 153 156 156 LYS LYS A . n A 1 154 LYS 154 157 157 LYS LYS A . n A 1 155 GLY 155 158 158 GLY GLY A . n A 1 156 SER 156 159 159 SER SER A . n A 1 157 ASP 157 160 160 ASP ASP A . n A 1 158 TYR 158 161 161 TYR TYR A . n A 1 159 PRO 159 162 162 PRO PRO A . n A 1 160 VAL 160 163 163 VAL VAL A . n A 1 161 ALA 161 164 164 ALA ALA A . n A 1 162 LYS 162 165 165 LYS LYS A . n A 1 163 GLY 163 166 166 GLY GLY A . n A 1 164 SER 164 167 167 SER SER A . n A 1 165 TYR 165 168 168 TYR TYR A . n A 1 166 ASN 166 169 169 ASN ASN A . n A 1 167 ASN 167 170 170 ASN ASN A . n A 1 168 THR 168 171 171 THR THR A . n A 1 169 SER 169 172 172 SER SER A . n A 1 170 GLY 170 173 173 GLY GLY A . n A 1 171 GLU 171 174 174 GLU GLU A . n A 1 172 GLN 172 175 175 GLN GLN A . n A 1 173 MET 173 176 176 MET MET A . n A 1 174 LEU 174 177 177 LEU LEU A . n A 1 175 ILE 175 178 178 ILE ILE A . n A 1 176 ILE 176 179 179 ILE ILE A . n A 1 177 TRP 177 180 180 TRP TRP A . n A 1 178 GLY 178 181 181 GLY GLY A . n A 1 179 VAL 179 182 182 VAL VAL A . n A 1 180 HIS 180 183 183 HIS HIS A . n A 1 181 HIS 181 184 184 HIS HIS A . n A 1 182 PRO 182 185 185 PRO PRO A . n A 1 183 ASN 183 186 186 ASN ASN A . n A 1 184 ASP 184 187 187 ASP ASP A . n A 1 185 GLU 185 188 188 GLU GLU A . n A 1 186 THR 186 189 189 THR THR A . n A 1 187 GLU 187 190 190 GLU GLU A . n A 1 188 GLN 188 191 191 GLN GLN A . n A 1 189 ARG 189 192 192 ARG ARG A . n A 1 190 THR 190 193 193 THR THR A . n A 1 191 LEU 191 194 194 LEU LEU A . n A 1 192 TYR 192 195 195 TYR TYR A . n A 1 193 GLN 193 196 196 GLN GLN A . n A 1 194 ASN 194 197 197 ASN ASN A . n A 1 195 VAL 195 198 198 VAL VAL A . n A 1 196 GLY 196 199 199 GLY GLY A . n A 1 197 THR 197 200 200 THR THR A . n A 1 198 TYR 198 201 201 TYR TYR A . n A 1 199 VAL 199 202 202 VAL VAL A . n A 1 200 SER 200 203 203 SER SER A . n A 1 201 VAL 201 204 204 VAL VAL A . n A 1 202 GLY 202 205 205 GLY GLY A . n A 1 203 THR 203 206 206 THR THR A . n A 1 204 SER 204 207 207 SER SER A . n A 1 205 THR 205 208 208 THR THR A . n A 1 206 LEU 206 209 209 LEU LEU A . n A 1 207 ASN 207 210 210 ASN ASN A . n A 1 208 LYS 208 211 211 LYS LYS A . n A 1 209 ARG 209 212 212 ARG ARG A . n A 1 210 SER 210 213 213 SER SER A . n A 1 211 THR 211 214 214 THR THR A . n A 1 212 PRO 212 215 215 PRO PRO A . n A 1 213 GLU 213 216 216 GLU GLU A . n A 1 214 ILE 214 217 217 ILE ILE A . n A 1 215 ALA 215 218 218 ALA ALA A . n A 1 216 THR 216 219 219 THR THR A . n A 1 217 ARG 217 220 220 ARG ARG A . n A 1 218 PRO 218 221 221 PRO PRO A . n A 1 219 LYS 219 222 222 LYS LYS A . n A 1 220 VAL 220 223 223 VAL VAL A . n A 1 221 ASN 221 224 224 ASN ASN A . n A 1 222 GLY 222 225 225 GLY GLY A . n A 1 223 LEU 223 226 226 LEU LEU A . n A 1 224 GLY 224 227 227 GLY GLY A . n A 1 225 SER 225 228 228 SER SER A . n A 1 226 ARG 226 229 229 ARG ARG A . n A 1 227 MET 227 230 230 MET MET A . n A 1 228 GLU 228 231 231 GLU GLU A . n A 1 229 PHE 229 232 232 PHE PHE A . n A 1 230 SER 230 233 233 SER SER A . n A 1 231 TRP 231 234 234 TRP TRP A . n A 1 232 THR 232 235 235 THR THR A . n A 1 233 LEU 233 236 236 LEU LEU A . n A 1 234 LEU 234 237 237 LEU LEU A . n A 1 235 ASP 235 238 238 ASP ASP A . n A 1 236 MET 236 239 239 MET MET A . n A 1 237 TRP 237 240 240 TRP TRP A . n A 1 238 ASP 238 241 241 ASP ASP A . n A 1 239 THR 239 242 242 THR THR A . n A 1 240 ILE 240 243 243 ILE ILE A . n A 1 241 ASN 241 244 244 ASN ASN A . n A 1 242 PHE 242 245 245 PHE PHE A . n A 1 243 GLU 243 246 246 GLU GLU A . n A 1 244 SER 244 247 247 SER SER A . n A 1 245 THR 245 248 248 THR THR A . n A 1 246 GLY 246 249 249 GLY GLY A . n A 1 247 ASN 247 250 250 ASN ASN A . n A 1 248 LEU 248 251 251 LEU LEU A . n A 1 249 ILE 249 252 252 ILE ILE A . n A 1 250 ALA 250 253 253 ALA ALA A . n A 1 251 PRO 251 254 254 PRO PRO A . n A 1 252 GLU 252 255 255 GLU GLU A . n A 1 253 TYR 253 256 256 TYR TYR A . n A 1 254 GLY 254 257 257 GLY GLY A . n A 1 255 PHE 255 258 258 PHE PHE A . n A 1 256 LYS 256 259 259 LYS LYS A . n A 1 257 ILE 257 260 260 ILE ILE A . n A 1 258 SER 258 261 261 SER SER A . n A 1 259 LYS 259 262 262 LYS LYS A . n A 1 260 ARG 260 263 263 ARG ARG A . n A 1 261 GLY 261 263 263 GLY GLY A A n A 1 262 SER 262 264 264 SER SER A . n A 1 263 SER 263 265 265 SER SER A . n A 1 264 GLY 264 266 266 GLY GLY A . n A 1 265 ILE 265 267 267 ILE ILE A . n A 1 266 MET 266 268 268 MET MET A . n A 1 267 LYS 267 269 269 LYS LYS A . n A 1 268 THR 268 270 270 THR THR A . n A 1 269 GLU 269 271 271 GLU GLU A . n A 1 270 GLY 270 272 272 GLY GLY A . n A 1 271 THR 271 273 273 THR THR A . n A 1 272 LEU 272 274 274 LEU LEU A . n A 1 273 GLU 273 275 275 GLU GLU A . n A 1 274 ASN 274 276 276 ASN ASN A . n A 1 275 CYS 275 277 277 CYS CYS A . n A 1 276 GLU 276 278 278 GLU GLU A . n A 1 277 THR 277 279 279 THR THR A . n A 1 278 LYS 278 280 280 LYS LYS A . n A 1 279 CYS 279 281 281 CYS CYS A . n A 1 280 GLN 280 282 282 GLN GLN A . n A 1 281 THR 281 283 283 THR THR A . n A 1 282 PRO 282 284 284 PRO PRO A . n A 1 283 LEU 283 285 285 LEU LEU A . n A 1 284 GLY 284 286 286 GLY GLY A . n A 1 285 ALA 285 287 287 ALA ALA A . n A 1 286 ILE 286 288 288 ILE ILE A . n A 1 287 ASN 287 289 289 ASN ASN A . n A 1 288 THR 288 290 290 THR THR A . n A 1 289 THR 289 291 291 THR THR A . n A 1 290 LEU 290 292 292 LEU LEU A . n A 1 291 PRO 291 293 293 PRO PRO A . n A 1 292 PHE 292 294 294 PHE PHE A . n A 1 293 HIS 293 295 295 HIS HIS A . n A 1 294 ASN 294 296 296 ASN ASN A . n A 1 295 VAL 295 297 297 VAL VAL A . n A 1 296 HIS 296 298 298 HIS HIS A . n A 1 297 PRO 297 299 299 PRO PRO A . n A 1 298 LEU 298 300 300 LEU LEU A . n A 1 299 THR 299 301 301 THR THR A . n A 1 300 ILE 300 302 302 ILE ILE A . n A 1 301 GLY 301 303 303 GLY GLY A . n A 1 302 GLU 302 304 304 GLU GLU A . n A 1 303 CYS 303 305 305 CYS CYS A . n A 1 304 PRO 304 306 306 PRO PRO A . n A 1 305 ARG 305 307 307 ARG ARG A . n A 1 306 TYR 306 308 308 TYR TYR A . n A 1 307 VAL 307 309 309 VAL VAL A . n A 1 308 LYS 308 310 310 LYS LYS A . n A 1 309 SER 309 311 311 SER SER A . n A 1 310 GLU 310 312 312 GLU GLU A . n A 1 311 LYS 311 313 313 LYS LYS A . n A 1 312 LEU 312 314 314 LEU LEU A . n A 1 313 VAL 313 315 315 VAL VAL A . n A 1 314 LEU 314 316 316 LEU LEU A . n A 1 315 ALA 315 317 317 ALA ALA A . n A 1 316 THR 316 318 318 THR THR A . n A 1 317 GLY 317 319 319 GLY GLY A . n A 1 318 LEU 318 320 320 LEU LEU A . n A 1 319 ARG 319 321 321 ARG ARG A . n A 1 320 ASN 320 322 322 ASN ASN A . n A 1 321 VAL 321 323 323 VAL VAL A . n A 1 322 PRO 322 324 324 PRO PRO A . n A 1 323 GLN 323 325 ? ? ? A . n A 1 324 ILE 324 326 ? ? ? A . n A 1 325 GLU 325 327 ? ? ? A . n A 1 326 SER 326 328 ? ? ? A . n A 1 327 ARG 327 329 ? ? ? A . n B 2 1 GLY 1 1 1 GLY GLY B . n B 2 2 LEU 2 2 2 LEU LEU B . n B 2 3 PHE 3 3 3 PHE PHE B . n B 2 4 GLY 4 4 4 GLY GLY B . n B 2 5 ALA 5 5 5 ALA ALA B . n B 2 6 ILE 6 6 6 ILE ILE B . n B 2 7 ALA 7 7 7 ALA ALA B . n B 2 8 GLY 8 8 8 GLY GLY B . n B 2 9 PHE 9 9 9 PHE PHE B . n B 2 10 ILE 10 10 10 ILE ILE B . n B 2 11 GLU 11 11 11 GLU GLU B . n B 2 12 GLY 12 12 12 GLY GLY B . n B 2 13 GLY 13 13 13 GLY GLY B . n B 2 14 TRP 14 14 14 TRP TRP B . n B 2 15 GLN 15 15 15 GLN GLN B . n B 2 16 GLY 16 16 16 GLY GLY B . n B 2 17 MET 17 17 17 MET MET B . n B 2 18 VAL 18 18 18 VAL VAL B . n B 2 19 ASP 19 19 19 ASP ASP B . n B 2 20 GLY 20 20 20 GLY GLY B . n B 2 21 TRP 21 21 21 TRP TRP B . n B 2 22 TYR 22 22 22 TYR TYR B . n B 2 23 GLY 23 23 23 GLY GLY B . n B 2 24 TYR 24 24 24 TYR TYR B . n B 2 25 HIS 25 25 25 HIS HIS B . n B 2 26 HIS 26 26 26 HIS HIS B . n B 2 27 SER 27 27 27 SER SER B . n B 2 28 ASN 28 28 28 ASN ASN B . n B 2 29 ASP 29 29 29 ASP ASP B . n B 2 30 GLN 30 30 30 GLN GLN B . n B 2 31 GLY 31 31 31 GLY GLY B . n B 2 32 SER 32 32 32 SER SER B . n B 2 33 GLY 33 33 33 GLY GLY B . n B 2 34 TYR 34 34 34 TYR TYR B . n B 2 35 ALA 35 35 35 ALA ALA B . n B 2 36 ALA 36 36 36 ALA ALA B . n B 2 37 ASP 37 37 37 ASP ASP B . n B 2 38 LYS 38 38 38 LYS LYS B . n B 2 39 GLU 39 39 39 GLU GLU B . n B 2 40 SER 40 40 40 SER SER B . n B 2 41 THR 41 41 41 THR THR B . n B 2 42 GLN 42 42 42 GLN GLN B . n B 2 43 LYS 43 43 43 LYS LYS B . n B 2 44 ALA 44 44 44 ALA ALA B . n B 2 45 PHE 45 45 45 PHE PHE B . n B 2 46 ASP 46 46 46 ASP ASP B . n B 2 47 GLY 47 47 47 GLY GLY B . n B 2 48 ILE 48 48 48 ILE ILE B . n B 2 49 THR 49 49 49 THR THR B . n B 2 50 ASN 50 50 50 ASN ASN B . n B 2 51 LYS 51 51 51 LYS LYS B . n B 2 52 VAL 52 52 52 VAL VAL B . n B 2 53 ASN 53 53 53 ASN ASN B . n B 2 54 SER 54 54 54 SER SER B . n B 2 55 VAL 55 55 55 VAL VAL B . n B 2 56 ILE 56 56 56 ILE ILE B . n B 2 57 GLU 57 57 57 GLU GLU B . n B 2 58 LYS 58 58 58 LYS LYS B . n B 2 59 MET 59 59 59 MET MET B . n B 2 60 ASN 60 60 60 ASN ASN B . n B 2 61 THR 61 61 61 THR THR B . n B 2 62 GLN 62 62 62 GLN GLN B . n B 2 63 PHE 63 63 63 PHE PHE B . n B 2 64 GLU 64 64 64 GLU GLU B . n B 2 65 ALA 65 65 65 ALA ALA B . n B 2 66 VAL 66 66 66 VAL VAL B . n B 2 67 GLY 67 67 67 GLY GLY B . n B 2 68 LYS 68 68 68 LYS LYS 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 SER 71 71 71 SER SER B . n B 2 72 ASN 72 72 72 ASN ASN B . n B 2 73 LEU 73 73 73 LEU LEU B . n B 2 74 GLU 74 74 74 GLU GLU B . n B 2 75 ARG 75 75 75 ARG ARG B . n B 2 76 ARG 76 76 76 ARG ARG B . n B 2 77 LEU 77 77 77 LEU LEU B . n B 2 78 GLU 78 78 78 GLU GLU B . n B 2 79 ASN 79 79 79 ASN ASN B . n B 2 80 LEU 80 80 80 LEU LEU B . n B 2 81 ASN 81 81 81 ASN ASN B . n B 2 82 LYS 82 82 82 LYS LYS B . n B 2 83 LYS 83 83 83 LYS LYS B . n B 2 84 MET 84 84 84 MET MET B . n B 2 85 GLU 85 85 85 GLU GLU B . n B 2 86 ASP 86 86 86 ASP ASP B . n B 2 87 GLY 87 87 87 GLY GLY B . n B 2 88 PHE 88 88 88 PHE PHE B . n B 2 89 LEU 89 89 89 LEU LEU B . n B 2 90 ASP 90 90 90 ASP ASP B . n B 2 91 VAL 91 91 91 VAL VAL B . n B 2 92 TRP 92 92 92 TRP TRP B . n B 2 93 THR 93 93 93 THR THR B . n B 2 94 TYR 94 94 94 TYR TYR B . n B 2 95 ASN 95 95 95 ASN ASN B . n B 2 96 ALA 96 96 96 ALA ALA B . n B 2 97 GLU 97 97 97 GLU GLU B . n B 2 98 LEU 98 98 98 LEU LEU B . n B 2 99 LEU 99 99 99 LEU LEU B . n B 2 100 VAL 100 100 100 VAL VAL B . n B 2 101 LEU 101 101 101 LEU LEU B . n B 2 102 MET 102 102 102 MET MET B . n B 2 103 GLU 103 103 103 GLU GLU B . n B 2 104 ASN 104 104 104 ASN ASN B . n B 2 105 GLU 105 105 105 GLU GLU B . n B 2 106 ARG 106 106 106 ARG ARG B . n B 2 107 THR 107 107 107 THR THR B . n B 2 108 LEU 108 108 108 LEU LEU B . n B 2 109 ASP 109 109 109 ASP ASP B . n B 2 110 PHE 110 110 110 PHE PHE B . n B 2 111 HIS 111 111 111 HIS HIS B . n B 2 112 ASP 112 112 112 ASP ASP B . n B 2 113 SER 113 113 113 SER SER B . n B 2 114 ASN 114 114 114 ASN ASN B . n B 2 115 VAL 115 115 115 VAL VAL B . n B 2 116 LYS 116 116 116 LYS LYS B . n B 2 117 ASN 117 117 117 ASN ASN B . n B 2 118 LEU 118 118 118 LEU LEU B . n B 2 119 TYR 119 119 119 TYR TYR B . n B 2 120 ASP 120 120 120 ASP ASP B . n B 2 121 LYS 121 121 121 LYS LYS B . n B 2 122 VAL 122 122 122 VAL VAL B . n B 2 123 ARG 123 123 123 ARG ARG B . n B 2 124 MET 124 124 124 MET MET B . n B 2 125 GLN 125 125 125 GLN GLN B . n B 2 126 LEU 126 126 126 LEU LEU B . n B 2 127 ARG 127 127 127 ARG ARG B . n B 2 128 ASP 128 128 128 ASP ASP B . n B 2 129 ASN 129 129 129 ASN ASN B . n B 2 130 VAL 130 130 130 VAL VAL B . n B 2 131 LYS 131 131 131 LYS LYS B . n B 2 132 GLU 132 132 132 GLU GLU B . n B 2 133 LEU 133 133 133 LEU LEU B . n B 2 134 GLY 134 134 134 GLY GLY B . n B 2 135 ASN 135 135 135 ASN ASN B . n B 2 136 GLY 136 136 136 GLY GLY B . n B 2 137 CYS 137 137 137 CYS CYS B . n B 2 138 PHE 138 138 138 PHE PHE B . n B 2 139 GLU 139 139 139 GLU GLU B . n B 2 140 PHE 140 140 140 PHE PHE B . n B 2 141 TYR 141 141 141 TYR TYR B . n B 2 142 HIS 142 142 142 HIS HIS B . n B 2 143 LYS 143 143 143 LYS LYS B . n B 2 144 CYS 144 144 144 CYS CYS B . n B 2 145 ASP 145 145 145 ASP ASP B . n B 2 146 ASP 146 146 146 ASP ASP B . n B 2 147 GLU 147 147 147 GLU GLU B . n B 2 148 CYS 148 148 148 CYS CYS B . n B 2 149 MET 149 149 149 MET MET B . n B 2 150 ASN 150 150 150 ASN ASN B . n B 2 151 SER 151 151 151 SER SER B . n B 2 152 VAL 152 152 152 VAL VAL B . n B 2 153 LYS 153 153 153 LYS LYS B . n B 2 154 ASN 154 154 154 ASN ASN B . n B 2 155 GLY 155 155 155 GLY GLY B . n B 2 156 THR 156 156 156 THR THR B . n B 2 157 TYR 157 157 157 TYR TYR B . n B 2 158 ASP 158 158 158 ASP ASP B . n B 2 159 TYR 159 159 159 TYR TYR B . n B 2 160 PRO 160 160 160 PRO PRO B . n B 2 161 LYS 161 161 161 LYS LYS B . n B 2 162 TYR 162 162 162 TYR TYR B . n B 2 163 GLU 163 163 163 GLU GLU B . n B 2 164 GLU 164 164 164 GLU GLU B . n B 2 165 GLU 165 165 165 GLU GLU B . n B 2 166 SER 166 166 166 SER SER B . n B 2 167 LYS 167 167 167 LYS LYS B . n B 2 168 LEU 168 168 168 LEU LEU B . n B 2 169 ASN 169 169 169 ASN ASN B . n B 2 170 ARG 170 170 170 ARG ARG B . n B 2 171 ASN 171 171 171 ASN ASN B . n B 2 172 GLU 172 172 172 GLU GLU B . n B 2 173 ILE 173 173 ? ? ? B . n B 2 174 LYS 174 174 ? ? ? B . n C 3 1 GLU 1 1 ? ? ? H . n C 3 2 VAL 2 2 2 VAL VAL H . n C 3 3 GLN 3 3 3 GLN GLN H . n C 3 4 LEU 4 4 4 LEU LEU H . n C 3 5 VAL 5 5 5 VAL VAL H . n C 3 6 GLU 6 6 6 GLU GLU H . n C 3 7 SER 7 7 7 SER SER H . n C 3 8 GLY 8 8 8 GLY GLY H . n C 3 9 ALA 9 9 9 ALA ALA H . n C 3 10 ASP 10 10 10 ASP ASP H . n C 3 11 MET 11 11 11 MET MET H . n C 3 12 LYS 12 12 12 LYS LYS H . n C 3 13 PRO 13 13 13 PRO PRO H . n C 3 14 PRO 14 14 14 PRO PRO H . n C 3 15 GLY 15 15 15 GLY GLY H . n C 3 16 SER 16 16 16 SER SER H . n C 3 17 SER 17 17 17 SER SER H . n C 3 18 VAL 18 18 18 VAL VAL H . n C 3 19 LYS 19 19 19 LYS LYS H . n C 3 20 VAL 20 20 20 VAL VAL H . n C 3 21 PRO 21 21 21 PRO PRO H . n C 3 22 CYS 22 22 22 CYS CYS H . n C 3 23 LYS 23 23 23 LYS LYS H . n C 3 24 ALA 24 24 24 ALA ALA H . n C 3 25 SER 25 25 25 SER SER H . n C 3 26 GLY 26 26 26 GLY GLY H . n C 3 27 ASP 27 27 27 ASP ASP H . n C 3 28 THR 28 28 28 THR THR H . n C 3 29 PHE 29 29 29 PHE PHE H . n C 3 30 SER 30 30 30 SER SER H . n C 3 31 SER 31 31 31 SER SER H . n C 3 32 TYR 32 32 32 TYR TYR H . n C 3 33 THR 33 33 33 THR THR H . n C 3 34 ILE 34 34 34 ILE ILE H . n C 3 35 THR 35 35 35 THR THR H . n C 3 36 TRP 36 36 36 TRP TRP H . n C 3 37 VAL 37 37 37 VAL VAL H . n C 3 38 ARG 38 38 38 ARG ARG H . n C 3 39 GLN 39 39 39 GLN GLN H . n C 3 40 ALA 40 40 40 ALA ALA H . n C 3 41 PRO 41 41 41 PRO PRO H . n C 3 42 GLY 42 42 42 GLY GLY H . n C 3 43 GLN 43 43 43 GLN GLN H . n C 3 44 GLY 44 44 44 GLY GLY H . n C 3 45 LEU 45 45 45 LEU LEU H . n C 3 46 GLU 46 46 46 GLU GLU H . n C 3 47 TRP 47 47 47 TRP TRP H . n C 3 48 MET 48 48 48 MET MET H . n C 3 49 GLY 49 49 49 GLY GLY H . n C 3 50 GLY 50 50 50 GLY GLY H . n C 3 51 ILE 51 51 51 ILE ILE H . n C 3 52 THR 52 52 52 THR THR H . n C 3 53 PRO 53 52 52 PRO PRO H A n C 3 54 ILE 54 53 53 ILE ILE H . n C 3 55 PHE 55 54 54 PHE PHE H . n C 3 56 GLY 56 55 55 GLY GLY H . n C 3 57 SER 57 56 56 SER SER H . n C 3 58 PRO 58 57 57 PRO PRO H . n C 3 59 ASN 59 58 58 ASN ASN H . n C 3 60 TYR 60 59 59 TYR TYR H . n C 3 61 ALA 61 60 60 ALA ALA H . n C 3 62 GLN 62 61 61 GLN GLN H . n C 3 63 ARG 63 62 62 ARG ARG H . n C 3 64 PHE 64 63 63 PHE PHE H . n C 3 65 GLN 65 64 64 GLN GLN H . n C 3 66 ASP 66 65 65 ASP ASP H . n C 3 67 ARG 67 66 66 ARG ARG H . n C 3 68 VAL 68 67 67 VAL VAL H . n C 3 69 ILE 69 68 68 ILE ILE H . n C 3 70 ILE 70 69 69 ILE ILE H . n C 3 71 THR 71 70 70 THR THR H . n C 3 72 ALA 72 71 71 ALA ALA H . n C 3 73 ASP 73 72 72 ASP ASP H . n C 3 74 GLU 74 73 73 GLU GLU H . n C 3 75 SER 75 74 74 SER SER H . n C 3 76 THR 76 75 75 THR THR H . n C 3 77 SER 77 76 76 SER SER H . n C 3 78 THR 78 77 77 THR THR H . n C 3 79 ALA 79 78 78 ALA ALA H . n C 3 80 TYR 80 79 79 TYR TYR H . n C 3 81 MET 81 80 80 MET MET H . n C 3 82 GLU 82 81 81 GLU GLU H . n C 3 83 VAL 83 82 82 VAL VAL H . n C 3 84 SER 84 82 82 SER SER H A n C 3 85 ASN 85 82 82 ASN ASN H B n C 3 86 LEU 86 82 82 LEU LEU H C n C 3 87 ARG 87 83 83 ARG ARG H . n C 3 88 SER 88 84 84 SER SER H . n C 3 89 GLU 89 85 85 GLU GLU H . n C 3 90 ASP 90 86 86 ASP ASP H . n C 3 91 THR 91 87 87 THR THR H . n C 3 92 ALA 92 88 88 ALA ALA H . n C 3 93 VAL 93 89 89 VAL VAL H . n C 3 94 TYR 94 90 90 TYR TYR H . n C 3 95 PHE 95 91 91 PHE PHE H . n C 3 96 CYS 96 92 92 CYS CYS H . n C 3 97 ALA 97 93 93 ALA ALA H . n C 3 98 ARG 98 94 94 ARG ARG H . n C 3 99 VAL 99 95 95 VAL VAL H . n C 3 100 GLY 100 96 96 GLY GLY H . n C 3 101 GLY 101 97 97 GLY GLY H . n C 3 102 GLU 102 98 98 GLU GLU H . n C 3 103 TRP 103 99 99 TRP TRP H . n C 3 104 GLY 104 100 100 GLY GLY H . n C 3 105 SER 105 100 100 SER SER H A n C 3 106 GLY 106 100 100 GLY GLY H B n C 3 107 ARG 107 100 100 ARG ARG H C n C 3 108 TYR 108 100 100 TYR TYR H D n C 3 109 TYR 109 100 100 TYR TYR H E n C 3 110 LEU 110 100 100 LEU LEU H F n C 3 111 ASP 111 101 101 ASP ASP H . n C 3 112 HIS 112 102 102 HIS HIS H . n C 3 113 TRP 113 103 103 TRP TRP H . n C 3 114 GLY 114 104 104 GLY GLY H . n C 3 115 GLN 115 105 105 GLN GLN H . n C 3 116 GLY 116 106 106 GLY GLY H . n C 3 117 THR 117 107 107 THR THR H . n C 3 118 LEU 118 108 108 LEU LEU H . n C 3 119 VAL 119 109 109 VAL VAL H . n C 3 120 THR 120 110 110 THR THR H . n C 3 121 VAL 121 111 111 VAL VAL H . n C 3 122 SER 122 112 112 SER SER H . n C 3 123 SER 123 113 113 SER SER H . n C 3 124 ALA 124 114 114 ALA ALA H . n C 3 125 SER 125 115 115 SER SER H . n C 3 126 THR 126 116 116 THR THR H . n C 3 127 LYS 127 117 117 LYS LYS H . n C 3 128 GLY 128 118 118 GLY GLY H . n C 3 129 PRO 129 119 119 PRO PRO H . n C 3 130 SER 130 120 120 SER SER H . n C 3 131 VAL 131 121 121 VAL VAL H . n C 3 132 PHE 132 122 122 PHE PHE H . n C 3 133 PRO 133 123 123 PRO PRO H . n C 3 134 LEU 134 124 124 LEU LEU H . n C 3 135 ALA 135 125 125 ALA ALA H . n C 3 136 PRO 136 126 126 PRO PRO H . n C 3 137 SER 137 127 127 SER SER H . n C 3 138 SER 138 128 128 SER SER H . n C 3 139 LYS 139 129 129 LYS LYS H . n C 3 140 SER 140 130 130 SER SER H . n C 3 141 THR 141 131 131 THR THR H . n C 3 142 SER 142 132 132 SER SER H . n C 3 143 GLY 143 133 133 GLY GLY H . n C 3 144 GLY 144 134 134 GLY GLY H . n C 3 145 THR 145 135 135 THR THR H . n C 3 146 ALA 146 136 136 ALA ALA H . n C 3 147 ALA 147 137 137 ALA ALA H . n C 3 148 LEU 148 138 138 LEU LEU H . n C 3 149 GLY 149 139 139 GLY GLY H . n C 3 150 CYS 150 140 140 CYS CYS H . n C 3 151 LEU 151 141 141 LEU LEU H . n C 3 152 VAL 152 142 142 VAL VAL H . n C 3 153 LYS 153 143 143 LYS LYS H . n C 3 154 ASP 154 144 144 ASP ASP H . n C 3 155 TYR 155 145 145 TYR TYR H . n C 3 156 PHE 156 146 146 PHE PHE H . n C 3 157 PRO 157 147 147 PRO PRO H . n C 3 158 GLU 158 148 148 GLU GLU H . n C 3 159 PRO 159 149 149 PRO PRO H . n C 3 160 VAL 160 150 150 VAL VAL H . n C 3 161 THR 161 151 151 THR THR H . n C 3 162 VAL 162 152 152 VAL VAL H . n C 3 163 SER 163 153 153 SER SER H . n C 3 164 TRP 164 154 154 TRP TRP H . n C 3 165 ASN 165 155 155 ASN ASN H . n C 3 166 SER 166 156 156 SER SER H . n C 3 167 GLY 167 157 157 GLY GLY H . n C 3 168 ALA 168 158 158 ALA ALA H . n C 3 169 LEU 169 159 159 LEU LEU H . n C 3 170 THR 170 160 160 THR THR H . n C 3 171 SER 171 161 161 SER SER H . n C 3 172 GLY 172 162 162 GLY GLY H . n C 3 173 VAL 173 163 163 VAL VAL H . n C 3 174 HIS 174 164 164 HIS HIS H . n C 3 175 THR 175 165 165 THR THR H . n C 3 176 PHE 176 166 166 PHE PHE H . n C 3 177 PRO 177 167 167 PRO PRO H . n C 3 178 ALA 178 168 168 ALA ALA H . n C 3 179 VAL 179 169 169 VAL VAL H . n C 3 180 LEU 180 170 170 LEU LEU H . n C 3 181 GLN 181 171 171 GLN GLN H . n C 3 182 SER 182 172 172 SER SER H . n C 3 183 SER 183 173 173 SER SER H . n C 3 184 GLY 184 174 174 GLY GLY H . n C 3 185 LEU 185 175 175 LEU LEU H . n C 3 186 TYR 186 176 176 TYR TYR H . n C 3 187 SER 187 177 177 SER SER H . n C 3 188 LEU 188 178 178 LEU LEU H . n C 3 189 SER 189 179 179 SER SER H . n C 3 190 SER 190 180 180 SER SER H . n C 3 191 VAL 191 181 181 VAL VAL H . n C 3 192 VAL 192 182 182 VAL VAL H . n C 3 193 THR 193 183 183 THR THR H . n C 3 194 VAL 194 184 184 VAL VAL H . n C 3 195 PRO 195 185 185 PRO PRO H . n C 3 196 SER 196 186 186 SER SER H . n C 3 197 SER 197 187 187 SER SER H . n C 3 198 SER 198 188 188 SER SER H . n C 3 199 LEU 199 189 189 LEU LEU H . n C 3 200 GLY 200 190 190 GLY GLY H . n C 3 201 THR 201 191 191 THR THR H . n C 3 202 GLN 202 192 192 GLN GLN H . n C 3 203 THR 203 193 193 THR THR H . n C 3 204 TYR 204 194 194 TYR TYR H . n C 3 205 ILE 205 195 195 ILE ILE H . n C 3 206 CYS 206 196 196 CYS CYS H . n C 3 207 ASN 207 197 197 ASN ASN H . n C 3 208 VAL 208 198 198 VAL VAL H . n C 3 209 ASN 209 199 199 ASN ASN H . n C 3 210 HIS 210 200 200 HIS HIS H . n C 3 211 LYS 211 201 201 LYS LYS H . n C 3 212 PRO 212 202 202 PRO PRO H . n C 3 213 SER 213 203 203 SER SER H . n C 3 214 ASN 214 204 204 ASN ASN H . n C 3 215 THR 215 205 205 THR THR H . n C 3 216 LYS 216 206 206 LYS LYS H . n C 3 217 VAL 217 207 207 VAL VAL H . n C 3 218 ASP 218 208 208 ASP ASP H . n C 3 219 LYS 219 209 209 LYS LYS H . n C 3 220 ARG 220 210 210 ARG ARG H . n C 3 221 VAL 221 211 211 VAL VAL H . n C 3 222 GLU 222 212 212 GLU GLU H . n C 3 223 PRO 223 213 213 PRO PRO H . n C 3 224 LYS 224 214 214 LYS LYS H . n C 3 225 SER 225 215 215 SER SER H . n C 3 226 CYS 226 216 ? ? ? H . n D 4 1 ASP 1 1 1 ASP ASP L . n D 4 2 ILE 2 2 2 ILE ILE L . n D 4 3 GLN 3 3 3 GLN GLN L . n D 4 4 LEU 4 4 4 LEU LEU L . n D 4 5 THR 5 5 5 THR THR L . n D 4 6 GLN 6 6 6 GLN GLN L . n D 4 7 SER 7 7 7 SER SER L . n D 4 8 PRO 8 8 8 PRO PRO L . n D 4 9 ALA 9 9 9 ALA ALA L . n D 4 10 SER 10 10 10 SER SER L . n D 4 11 LEU 11 11 11 LEU LEU L . n D 4 12 SER 12 12 12 SER SER L . n D 4 13 VAL 13 13 13 VAL VAL L . n D 4 14 SER 14 14 14 SER SER L . n D 4 15 PRO 15 15 15 PRO PRO L . n D 4 16 GLY 16 16 16 GLY GLY L . n D 4 17 GLU 17 17 17 GLU GLU L . n D 4 18 ARG 18 18 18 ARG ARG L . n D 4 19 ALA 19 19 19 ALA ALA L . n D 4 20 THR 20 20 20 THR THR L . n D 4 21 LEU 21 21 21 LEU LEU L . n D 4 22 SER 22 22 22 SER SER L . n D 4 23 CYS 23 23 23 CYS CYS L . n D 4 24 ARG 24 24 24 ARG ARG L . n D 4 25 ALA 25 25 25 ALA ALA L . n D 4 26 SER 26 26 26 SER SER L . n D 4 27 GLN 27 27 27 GLN GLN L . n D 4 28 SER 28 28 28 SER SER L . n D 4 29 VAL 29 29 29 VAL VAL L . n D 4 30 ALA 30 30 30 ALA ALA L . n D 4 31 GLY 31 31 31 GLY GLY L . n D 4 32 ASN 32 32 32 ASN ASN L . n D 4 33 LEU 33 33 33 LEU LEU L . n D 4 34 ALA 34 34 34 ALA ALA L . n D 4 35 TRP 35 35 35 TRP TRP L . n D 4 36 TYR 36 36 36 TYR TYR L . n D 4 37 GLN 37 37 37 GLN GLN L . n D 4 38 GLN 38 38 38 GLN GLN L . n D 4 39 LYS 39 39 39 LYS LYS L . n D 4 40 PRO 40 40 40 PRO PRO L . n D 4 41 GLY 41 41 41 GLY GLY L . n D 4 42 GLN 42 42 42 GLN GLN L . n D 4 43 ALA 43 43 43 ALA ALA L . n D 4 44 PRO 44 44 44 PRO PRO L . n D 4 45 ARG 45 45 45 ARG ARG L . n D 4 46 LEU 46 46 46 LEU LEU L . n D 4 47 LEU 47 47 47 LEU LEU L . n D 4 48 ILE 48 48 48 ILE ILE L . n D 4 49 TYR 49 49 49 TYR TYR L . n D 4 50 GLY 50 50 50 GLY GLY L . n D 4 51 ALA 51 51 51 ALA ALA L . n D 4 52 SER 52 52 52 SER SER L . n D 4 53 THR 53 53 53 THR THR L . n D 4 54 ARG 54 54 54 ARG ARG L . n D 4 55 ALA 55 55 55 ALA ALA L . n D 4 56 THR 56 56 56 THR THR L . n D 4 57 GLY 57 57 57 GLY GLY L . n D 4 58 ILE 58 58 58 ILE ILE L . n D 4 59 PRO 59 59 59 PRO PRO L . n D 4 60 ALA 60 60 60 ALA ALA L . n D 4 61 ARG 61 61 61 ARG ARG L . n D 4 62 PHE 62 62 62 PHE PHE L . n D 4 63 SER 63 63 63 SER SER L . n D 4 64 GLY 64 64 64 GLY GLY L . n D 4 65 SER 65 65 65 SER SER L . n D 4 66 GLY 66 66 66 GLY GLY L . n D 4 67 SER 67 67 67 SER SER L . n D 4 68 GLY 68 68 68 GLY GLY L . n D 4 69 THR 69 69 69 THR THR L . n D 4 70 GLU 70 70 70 GLU GLU L . n D 4 71 PHE 71 71 71 PHE PHE L . n D 4 72 THR 72 72 72 THR THR L . n D 4 73 LEU 73 73 73 LEU LEU L . n D 4 74 THR 74 74 74 THR THR L . n D 4 75 ILE 75 75 75 ILE ILE L . n D 4 76 THR 76 76 76 THR THR L . n D 4 77 SER 77 77 77 SER SER L . n D 4 78 LEU 78 78 78 LEU LEU L . n D 4 79 GLN 79 79 79 GLN GLN L . n D 4 80 SER 80 80 80 SER SER L . n D 4 81 GLU 81 81 81 GLU GLU L . n D 4 82 ASP 82 82 82 ASP ASP L . n D 4 83 PHE 83 83 83 PHE PHE L . n D 4 84 ALA 84 84 84 ALA ALA L . n D 4 85 VAL 85 85 85 VAL VAL L . n D 4 86 TYR 86 86 86 TYR TYR L . n D 4 87 TYR 87 87 87 TYR TYR L . n D 4 88 CYS 88 88 88 CYS CYS L . n D 4 89 GLN 89 89 89 GLN GLN L . n D 4 90 GLN 90 90 90 GLN GLN L . n D 4 91 TYR 91 91 91 TYR TYR L . n D 4 92 ASN 92 92 92 ASN ASN L . n D 4 93 ASN 93 93 93 ASN ASN L . n D 4 94 TRP 94 94 94 TRP TRP L . n D 4 95 PRO 95 95 95 PRO PRO L . n D 4 96 PRO 96 95 95 PRO PRO L A n D 4 97 TRP 97 96 96 TRP TRP L . n D 4 98 THR 98 97 97 THR THR L . n D 4 99 PHE 99 98 98 PHE PHE L . n D 4 100 GLY 100 99 99 GLY GLY L . n D 4 101 GLN 101 100 100 GLN GLN L . n D 4 102 GLY 102 101 101 GLY GLY L . n D 4 103 THR 103 102 102 THR THR L . n D 4 104 LYS 104 103 103 LYS LYS L . n D 4 105 VAL 105 104 104 VAL VAL L . n D 4 106 ASP 106 105 105 ASP ASP L . n D 4 107 ILE 107 106 106 ILE ILE L . n D 4 108 LYS 108 107 107 LYS LYS L . n D 4 109 ARG 109 108 108 ARG ARG L . n D 4 110 THR 110 109 109 THR THR L . n D 4 111 VAL 111 110 110 VAL VAL L . n D 4 112 ALA 112 111 111 ALA ALA L . n D 4 113 ALA 113 112 112 ALA ALA L . n D 4 114 PRO 114 113 113 PRO PRO L . n D 4 115 SER 115 114 114 SER SER L . n D 4 116 VAL 116 115 115 VAL VAL L . n D 4 117 PHE 117 116 116 PHE PHE L . n D 4 118 ILE 118 117 117 ILE ILE L . n D 4 119 PHE 119 118 118 PHE PHE L . n D 4 120 PRO 120 119 119 PRO PRO L . n D 4 121 PRO 121 120 120 PRO PRO L . n D 4 122 SER 122 121 121 SER SER L . n D 4 123 ASP 123 122 122 ASP ASP L . n D 4 124 GLU 124 123 123 GLU GLU L . n D 4 125 GLN 125 124 124 GLN GLN L . n D 4 126 LEU 126 125 125 LEU LEU L . n D 4 127 LYS 127 126 126 LYS LYS L . n D 4 128 SER 128 127 127 SER SER L . n D 4 129 GLY 129 128 128 GLY GLY L . n D 4 130 THR 130 129 129 THR THR L . n D 4 131 ALA 131 130 130 ALA ALA L . n D 4 132 SER 132 131 131 SER SER L . n D 4 133 VAL 133 132 132 VAL VAL L . n D 4 134 VAL 134 133 133 VAL VAL L . n D 4 135 CYS 135 134 134 CYS CYS L . n D 4 136 LEU 136 135 135 LEU LEU L . n D 4 137 LEU 137 136 136 LEU LEU L . n D 4 138 ASN 138 137 137 ASN ASN L . n D 4 139 ASN 139 138 138 ASN ASN L . n D 4 140 PHE 140 139 139 PHE PHE L . n D 4 141 TYR 141 140 140 TYR TYR L . n D 4 142 PRO 142 141 141 PRO PRO L . n D 4 143 ARG 143 142 142 ARG ARG L . n D 4 144 GLU 144 143 143 GLU GLU L . n D 4 145 ALA 145 144 144 ALA ALA L . n D 4 146 LYS 146 145 145 LYS LYS L . n D 4 147 VAL 147 146 146 VAL VAL L . n D 4 148 GLN 148 147 147 GLN GLN L . n D 4 149 TRP 149 148 148 TRP TRP L . n D 4 150 LYS 150 149 149 LYS LYS L . n D 4 151 VAL 151 150 150 VAL VAL L . n D 4 152 ASP 152 151 151 ASP ASP L . n D 4 153 ASN 153 152 152 ASN ASN L . n D 4 154 ALA 154 153 153 ALA ALA L . n D 4 155 LEU 155 154 154 LEU LEU L . n D 4 156 GLN 156 155 155 GLN GLN L . n D 4 157 SER 157 156 156 SER SER L . n D 4 158 GLY 158 157 157 GLY GLY L . n D 4 159 ASN 159 158 158 ASN ASN L . n D 4 160 SER 160 159 159 SER SER L . n D 4 161 GLN 161 160 160 GLN GLN L . n D 4 162 GLU 162 161 161 GLU GLU L . n D 4 163 SER 163 162 162 SER SER L . n D 4 164 VAL 164 163 163 VAL VAL L . n D 4 165 THR 165 164 164 THR THR L . n D 4 166 GLU 166 165 165 GLU GLU L . n D 4 167 GLN 167 166 166 GLN GLN L . n D 4 168 ASP 168 167 167 ASP ASP L . n D 4 169 SER 169 168 168 SER SER L . n D 4 170 LYS 170 169 169 LYS LYS L . n D 4 171 ASP 171 170 170 ASP ASP L . n D 4 172 SER 172 171 171 SER SER L . n D 4 173 THR 173 172 172 THR THR L . n D 4 174 TYR 174 173 173 TYR TYR L . n D 4 175 SER 175 174 174 SER SER L . n D 4 176 LEU 176 175 175 LEU LEU L . n D 4 177 SER 177 176 176 SER SER L . n D 4 178 SER 178 177 177 SER SER L . n D 4 179 THR 179 178 178 THR THR L . n D 4 180 LEU 180 179 179 LEU LEU L . n D 4 181 THR 181 180 180 THR THR L . n D 4 182 LEU 182 181 181 LEU LEU L . n D 4 183 SER 183 182 182 SER SER L . n D 4 184 LYS 184 183 183 LYS LYS L . n D 4 185 ALA 185 184 184 ALA ALA L . n D 4 186 ASP 186 185 185 ASP ASP L . n D 4 187 TYR 187 186 186 TYR TYR L . n D 4 188 GLU 188 187 187 GLU GLU L . n D 4 189 LYS 189 188 188 LYS LYS L . n D 4 190 HIS 190 189 189 HIS HIS L . n D 4 191 LYS 191 190 190 LYS LYS L . n D 4 192 VAL 192 191 191 VAL VAL L . n D 4 193 TYR 193 192 192 TYR TYR L . n D 4 194 ALA 194 193 193 ALA ALA L . n D 4 195 CYS 195 194 194 CYS CYS L . n D 4 196 GLU 196 195 195 GLU GLU L . n D 4 197 VAL 197 196 196 VAL VAL L . n D 4 198 THR 198 197 197 THR THR L . n D 4 199 HIS 199 198 198 HIS HIS L . n D 4 200 GLN 200 199 199 GLN GLN L . n D 4 201 GLY 201 200 200 GLY GLY L . n D 4 202 LEU 202 201 201 LEU LEU L . n D 4 203 SER 203 202 202 SER SER L . n D 4 204 SER 204 203 203 SER SER L . n D 4 205 PRO 205 204 204 PRO PRO L . n D 4 206 VAL 206 205 205 VAL VAL L . n D 4 207 THR 207 206 206 THR THR L . n D 4 208 LYS 208 207 207 LYS LYS L . n D 4 209 SER 209 208 208 SER SER L . n D 4 210 PHE 210 209 209 PHE PHE L . n D 4 211 ASN 211 210 210 ASN ASN L . n D 4 212 ARG 212 211 211 ARG ARG L . n D 4 213 GLY 213 212 212 GLY GLY L . n D 4 214 GLU 214 213 ? ? ? L . n D 4 215 CYS 215 214 ? ? ? L . n # 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 E 5 NAG 1 401 1 NAG NAG A . F 5 NAG 2 402 2 NAG NAG A . # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id ASN _pdbx_struct_mod_residue.label_seq_id 166 _pdbx_struct_mod_residue.auth_asym_id A _pdbx_struct_mod_residue.auth_comp_id ASN _pdbx_struct_mod_residue.auth_seq_id 169 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id ASN _pdbx_struct_mod_residue.details '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_and_software_defined_assembly PISA dodecameric 12 2 software_defined_assembly PISA 24-meric 24 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1,2,3 A,B,C,D,E,F 2 1,2,3,4,5,6 A,B,C,D,E,F # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 49620 ? 1 MORE -268 ? 1 'SSA (A^2)' 113210 ? 2 'ABSA (A^2)' 104490 ? 2 MORE -558 ? 2 'SSA (A^2)' 221160 ? # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 2_555 -y,x-y,z -0.5000000000 -0.8660254038 0.0000000000 0.0000000000 0.8660254038 -0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 3 'crystal symmetry operation' 3_555 -x+y,-x,z -0.5000000000 0.8660254038 0.0000000000 0.0000000000 -0.8660254038 -0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 4 'crystal symmetry operation' 4_555 y,x,-z -0.5000000000 0.8660254038 0.0000000000 0.0000000000 0.8660254038 0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 5 'crystal symmetry operation' 5_555 x-y,-y,-z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 6 'crystal symmetry operation' 6_555 -x,-x+y,-z -0.5000000000 -0.8660254038 0.0000000000 0.0000000000 -0.8660254038 0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2013-02-13 2 'Structure model' 1 1 2013-05-22 3 'Structure model' 1 2 2017-11-15 # _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_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 3 'Structure model' Advisory 3 3 'Structure model' 'Refinement description' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 3 'Structure model' pdbx_unobs_or_zero_occ_atoms 2 3 'Structure model' software # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 3 'Structure model' '_software.classification' 2 3 'Structure model' '_software.name' # _diffrn_reflns.diffrn_id 1 _diffrn_reflns.pdbx_d_res_high 3.100 _diffrn_reflns.pdbx_d_res_low 45.000 _diffrn_reflns.pdbx_number_obs 30241 _diffrn_reflns.pdbx_Rmerge_I_obs 0.118 _diffrn_reflns.pdbx_Rsym_value ? _diffrn_reflns.pdbx_chi_squared 1.03 _diffrn_reflns.av_sigmaI_over_netI 14.08 _diffrn_reflns.pdbx_redundancy 9.20 _diffrn_reflns.pdbx_percent_possible_obs 94.60 _diffrn_reflns.number 277788 _diffrn_reflns.pdbx_observed_criterion ? _diffrn_reflns.limit_h_max ? _diffrn_reflns.limit_h_min ? _diffrn_reflns.limit_k_max ? _diffrn_reflns.limit_k_min ? _diffrn_reflns.limit_l_max ? _diffrn_reflns.limit_l_min ? # loop_ _pdbx_diffrn_reflns_shell.diffrn_id _pdbx_diffrn_reflns_shell.d_res_high _pdbx_diffrn_reflns_shell.d_res_low _pdbx_diffrn_reflns_shell.number_obs _pdbx_diffrn_reflns_shell.rejects _pdbx_diffrn_reflns_shell.Rmerge_I_obs _pdbx_diffrn_reflns_shell.Rsym_value _pdbx_diffrn_reflns_shell.chi_squared _pdbx_diffrn_reflns_shell.redundancy _pdbx_diffrn_reflns_shell.percent_possible_obs 1 6.67 45.00 ? ? 0.054 ? 1.044 9.80 99.10 1 5.30 6.67 ? ? 0.084 ? 1.052 10.30 100.00 1 4.63 5.30 ? ? 0.092 ? 0.986 10.40 100.00 1 4.21 4.63 ? ? 0.115 ? 0.999 10.40 100.00 1 3.91 4.21 ? ? 0.174 ? 0.955 10.40 100.00 1 3.68 3.91 ? ? 0.253 ? 1.053 10.10 100.00 1 3.49 3.68 ? ? 0.307 ? 1.096 9.20 100.00 1 3.34 3.49 ? ? 0.358 ? 1.082 7.40 98.40 1 3.21 3.34 ? ? 0.303 ? 1.066 6.10 85.10 1 3.10 3.21 ? ? 0.315 ? 1.008 5.90 63.00 # 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[2][2] _pdbx_refine_tls.S[3][3] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] 'X-RAY DIFFRACTION' 1 ? refined 9.7104 17.4291 114.0919 0.5610 0.2839 0.3325 -0.2437 -0.1108 -0.1255 0.1627 0.3075 0.2349 -0.0131 -0.0889 -0.0969 -0.0657 0.0088 -0.2127 -0.0429 0.0796 -0.0000 0.0916 -0.4677 0.2268 'X-RAY DIFFRACTION' 2 ? refined 18.5020 18.6061 68.8532 0.3199 0.3785 0.3638 -0.2282 -0.0141 0.1378 0.8615 0.5273 4.6235 -0.2099 1.5714 0.5294 -0.0077 -0.1613 -0.0642 -0.2757 0.5013 -0.1370 -0.1476 -0.5512 0.0980 'X-RAY DIFFRACTION' 3 ? refined 16.4203 9.0785 53.4668 0.2349 0.2579 0.2704 -0.0757 0.0391 0.1018 0.6159 1.2453 1.3121 -0.1147 0.3311 0.2475 -0.0123 -0.0637 0.0515 -0.0093 -0.0359 -0.1405 -0.2314 -0.1515 0.4034 'X-RAY DIFFRACTION' 4 ? refined 11.9544 15.6641 96.7699 0.2590 0.2283 0.2622 -0.1154 -0.0583 0.0271 1.1332 0.7055 2.1611 -0.0162 -0.3490 0.1601 0.1166 -0.1140 -0.0283 0.0022 0.0941 -0.0733 -0.0180 -0.7704 0.4714 'X-RAY DIFFRACTION' 5 ? refined 9.0700 14.2691 132.2673 0.4294 0.3447 0.3019 -0.0207 -0.0429 -0.0376 0.1640 1.8717 1.7682 0.1423 0.5400 0.4929 -0.2124 -0.1760 0.0422 -0.0522 0.3170 0.0847 0.0664 -0.7223 0.2346 'X-RAY DIFFRACTION' 6 ? refined 16.9210 9.1792 126.1375 0.1855 0.4602 0.2920 -0.0724 -0.0398 -0.0146 0.4901 0.6706 3.5005 0.1924 1.2615 0.8661 0.0629 -0.0749 -0.3009 0.0092 0.0004 -0.3136 0.1385 0.1436 0.5922 'X-RAY DIFFRACTION' 7 ? refined 12.6336 3.6061 91.4081 0.1443 0.3031 0.4358 -0.0189 -0.0238 -0.0673 1.0168 0.0501 4.7928 0.2125 -2.1598 -0.4169 -0.0910 0.1583 0.1215 0.0619 0.1716 0.1876 -0.0180 0.1329 0.2166 'X-RAY DIFFRACTION' 8 ? refined 1.6971 9.2182 72.2154 0.4660 0.4508 0.6748 -0.1459 -0.0166 0.1689 5.7190 2.1325 3.3777 -0.0358 -3.1797 1.6043 0.0747 0.0013 0.1329 -0.0095 0.4168 -0.3001 0.1302 -0.4003 0.1019 'X-RAY DIFFRACTION' 9 ? refined 2.8962 6.3555 115.5808 0.1745 0.2524 0.1697 -0.0527 -0.0729 0.0069 0.4438 0.3994 2.9026 -0.0827 0.3825 0.2300 -0.0087 0.0056 0.0552 -0.0128 0.0527 0.0293 0.1938 -0.1384 0.0294 'X-RAY DIFFRACTION' 10 ? refined 11.9735 11.2152 151.7967 0.4957 0.3962 0.4658 -0.0715 -0.0015 -0.0728 2.5267 0.9680 3.1477 1.1987 2.7976 1.2746 -0.0718 -0.0155 -0.0089 0.1831 0.1318 -0.2996 0.1572 -0.1801 0.2683 'X-RAY DIFFRACTION' 11 ? refined 20.1149 6.7825 146.0518 0.5501 0.6268 0.3583 -0.0699 -0.1115 -0.1105 1.6131 0.8997 0.7443 0.1528 0.0759 0.4298 0.0443 0.0273 0.0089 -0.0715 -0.1110 -0.4055 0.2685 -0.0362 0.4798 'X-RAY DIFFRACTION' 12 ? refined 10.0573 4.6616 158.6109 0.5961 0.5692 0.3278 -0.1766 -0.1734 -0.0654 4.6221 0.7899 2.6747 1.8810 -0.9048 -0.6048 0.1787 -0.0190 -0.0293 -0.1933 -0.1221 -0.1869 0.2378 0.3084 0.3177 'X-RAY DIFFRACTION' 13 ? refined 19.9407 36.2682 23.2417 0.6237 0.2997 0.3397 -0.1868 0.1103 0.1152 0.3054 0.4177 0.7869 0.2224 -0.2343 -0.2130 0.1738 -0.0867 -0.5651 -0.1237 0.1768 0.0660 0.2377 -0.3560 0.0378 'X-RAY DIFFRACTION' 14 ? refined 11.1756 30.4383 29.7862 0.5777 0.1562 0.2728 -0.0555 0.0949 0.0545 1.9318 3.7702 1.2034 -0.4127 -0.6898 -1.0546 0.0274 -0.0770 -0.0105 -0.0436 0.0165 0.0128 0.1254 -0.4008 -0.1118 'X-RAY DIFFRACTION' 15 ? refined 13.6926 20.2648 26.1818 0.4096 0.2535 0.2579 -0.1951 0.0309 0.0429 1.8130 1.9683 4.5206 -0.5307 0.9515 0.1023 0.2169 -0.1929 -0.0442 -0.0592 -0.0818 -0.2266 -0.3279 0.1854 0.0953 'X-RAY DIFFRACTION' 16 ? refined 14.1127 30.9462 27.7756 0.6156 0.2255 0.3080 -0.0659 0.0110 0.0814 0.6370 0.6746 1.4454 -0.1032 -0.5629 -0.6532 0.0857 -0.0552 0.2494 -0.0926 -0.0450 -0.1768 0.2097 -0.3637 0.3074 'X-RAY DIFFRACTION' 17 ? refined 5.8827 51.3642 -0.6120 0.5527 0.1937 0.3116 0.0472 0.0433 0.0885 1.1819 2.2467 1.1774 -0.7678 -0.0053 -0.0887 -0.3358 0.1822 -0.0613 -0.0674 0.1335 0.3786 0.4652 -0.3534 -0.1529 'X-RAY DIFFRACTION' 18 ? refined 9.8521 58.3970 -5.2156 0.5326 0.2759 0.3835 -0.1132 -0.1192 0.0756 1.4033 0.8681 0.9384 -0.5869 0.6661 -0.4490 -0.1371 -0.0125 0.0431 0.0478 0.2443 -0.3275 -0.0613 -0.3399 0.0313 'X-RAY DIFFRACTION' 19 ? refined -11.8599 36.9481 24.0610 0.7923 0.6218 0.5453 0.1947 0.1180 0.3131 1.1268 1.5295 0.7685 0.6000 0.5907 -0.4304 0.3680 0.1179 0.0215 0.1533 0.0852 0.4345 -0.0087 -0.3616 -0.3504 'X-RAY DIFFRACTION' 20 ? refined -6.3699 36.1367 33.1281 0.7565 0.3541 0.3646 0.2101 0.2049 0.1898 0.5373 0.4018 1.5443 -0.0323 0.4632 -0.4793 0.3069 0.1226 -0.1148 -0.0809 0.0922 0.3170 0.0125 -0.3806 -0.4991 'X-RAY DIFFRACTION' 21 ? refined -5.7218 42.8503 28.0438 0.9928 0.5223 0.5833 0.2104 0.2474 0.2505 1.0511 5.1358 0.7354 -1.0978 0.6311 0.3595 0.4364 0.1098 0.1065 0.1230 0.4349 0.0892 0.1385 -0.6058 -0.2575 'X-RAY DIFFRACTION' 22 ? refined -0.6183 25.3682 29.3627 0.5732 0.4155 0.4049 -0.0267 -0.0868 0.2472 1.7661 4.3976 0.2627 -1.7966 -0.4047 0.5894 0.4728 0.1123 -0.1341 0.2185 -0.0772 0.4092 -0.2877 0.0740 -0.3500 'X-RAY DIFFRACTION' 23 ? refined -13.4704 48.9841 14.3092 0.7582 0.5167 0.8080 0.1660 0.3126 0.3467 0.0991 0.1158 0.1209 -0.0784 0.0838 -0.0159 -0.0640 -0.0204 -0.1129 -0.0277 -0.0810 -0.0594 0.0622 0.0445 0.0659 'X-RAY DIFFRACTION' 24 ? refined 2.8847 46.9337 -10.8761 0.2862 0.4624 0.3816 -0.0445 0.0835 -0.0488 3.8192 1.6126 2.0138 -0.7992 -0.8834 0.0367 0.1739 0.1579 -0.1932 0.2290 0.4347 -0.0127 -0.1771 -0.5028 -0.2650 'X-RAY DIFFRACTION' 25 ? refined -5.2749 40.0805 -0.9909 0.4315 0.3167 0.6854 -0.0614 0.1880 0.1677 2.0733 0.4755 1.0975 -0.3945 -1.1128 -0.2350 -0.2655 0.1211 0.0995 0.2577 -0.4148 0.7423 0.4839 0.2657 -0.4896 'X-RAY DIFFRACTION' 26 ? refined -6.0443 52.8344 12.2498 0.8968 0.4890 0.7969 0.3563 0.1698 0.1461 1.5153 1.7188 0.4516 -0.7445 -0.5248 0.2806 -0.0967 0.0560 0.0379 -0.0574 0.3652 0.0306 0.1974 -0.3095 -0.1859 'X-RAY DIFFRACTION' 27 ? refined -1.5921 38.3521 -10.4969 0.2697 0.6002 0.5808 -0.0248 0.0342 -0.0825 0.1303 0.8932 0.8814 0.1599 0.3385 0.4809 -0.1810 -0.2553 0.0750 0.5146 -0.5212 0.4605 0.2141 -0.1197 -0.6662 'X-RAY DIFFRACTION' 28 ? refined -13.2009 43.2344 -6.7182 0.7332 1.1925 0.9036 -0.0336 0.1503 -0.0675 0.2304 0.9197 2.1915 0.1632 0.5938 1.1507 -0.2774 -0.3567 0.2693 0.2464 -0.1390 0.5923 0.3647 0.4569 -0.6351 # 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 9 A 55 ;chain 'A' and (resseq 9:55) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 2 2 A 56 A 99 ;chain 'A' and (resseq 56:99) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 3 3 A 100 A 269 ;chain 'A' and (resseq 100:269) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 4 4 A 270 A 324 ;chain 'A' and (resseq 270:324) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 5 5 B 1 B 26 ;chain 'B' and (resseq 1:26) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 6 6 B 27 B 57 ;chain 'B' and (resseq 27:57) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 7 7 B 58 B 67 ;chain 'B' and (resseq 58:67) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 8 8 B 68 B 74 ;chain 'B' and (resseq 68:74) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 9 9 B 75 B 137 ;chain 'B' and (resseq 75:137) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 10 10 B 138 B 145 ;chain 'B' and (resseq 138:145) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 11 11 B 146 B 158 ;chain 'B' and (resseq 146:158) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 12 12 B 159 B 172 ;chain 'B' and (resseq 159:172) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 13 13 H 2 H 25 ;chain 'H' and (resseq 2:25) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 14 14 H 26 H 52 ;chain 'H' and (resseq 26:52) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 15 15 H 53 H 66 ;chain 'H' and (resseq 53:66) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 16 16 H 67 H 111 ;chain 'H' and (resseq 67:111) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 17 17 H 112 H 188 ;chain 'H' and (resseq 112:188) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 18 18 H 189 H 215 ;chain 'H' and (resseq 189:215) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 19 19 L 1 L 18 ;chain 'L' and (resseq 1:18) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 20 20 L 19 L 75 ;chain 'L' and (resseq 19:75) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 21 21 L 76 L 90 ;chain 'L' and (resseq 76:90) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 22 22 L 91 L 102 ;chain 'L' and (resseq 91:102) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 23 23 L 103 L 113 ;chain 'L' and (resseq 103:113) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 24 24 L 114 L 128 ;chain 'L' and (resseq 114:128) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 25 25 L 129 L 163 ;chain 'L' and (resseq 129:163) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 26 26 L 164 L 174 ;chain 'L' and (resseq 164:174) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 27 27 L 175 L 197 ;chain 'L' and (resseq 175:197) ; ? ? ? ? ? 'X-RAY DIFFRACTION' 28 28 L 198 L 212 ;chain 'L' and (resseq 198:212) ; ? ? ? ? ? # _pdbx_phasing_MR.entry_id 4HFU _pdbx_phasing_MR.method_rotation ? _pdbx_phasing_MR.method_translation ? _pdbx_phasing_MR.model_details ? _pdbx_phasing_MR.R_factor ? _pdbx_phasing_MR.R_rigid_body ? _pdbx_phasing_MR.correlation_coeff_Fo_to_Fc ? _pdbx_phasing_MR.correlation_coeff_Io_to_Ic ? _pdbx_phasing_MR.d_res_high_rotation 2.710 _pdbx_phasing_MR.d_res_low_rotation 41.900 _pdbx_phasing_MR.d_res_high_translation 2.710 _pdbx_phasing_MR.d_res_low_translation 41.900 _pdbx_phasing_MR.packing ? _pdbx_phasing_MR.reflns_percent_rotation ? _pdbx_phasing_MR.reflns_percent_translation ? _pdbx_phasing_MR.sigma_F_rotation ? _pdbx_phasing_MR.sigma_F_translation ? _pdbx_phasing_MR.sigma_I_rotation ? _pdbx_phasing_MR.sigma_I_translation ? # _phasing.method MR # loop_ _software.pdbx_ordinal _software.name _software.version _software.date _software.type _software.contact_author _software.contact_author_email _software.classification _software.location _software.language _software.citation_id 1 DENZO . ? program 'Zbyszek Otwinowski' hkl@hkl-xray.com 'data reduction' http://www.hkl-xray.com/ ? ? 2 SCALEPACK . ? package 'Zbyszek Otwinowski' hkl@hkl-xray.com 'data scaling' http://www.hkl-xray.com/ ? ? 3 PHASER 2.3.0 'Tue Jan 25 16:23:50 2011 (svn )' program 'Randy J. Read' cimr-phaser@lists.cam.ac.uk phasing http://www-structmed.cimr.cam.ac.uk/phaser/ ? ? 4 PHENIX 1.8_1063 ? package 'Paul D. Adams' PDAdams@lbl.gov refinement http://www.phenix-online.org/ C++ ? 5 PDB_EXTRACT 3.11 'April 22, 2011' package PDB deposit@deposit.rcsb.org 'data extraction' http://sw-tools.pdb.org/apps/PDB_EXTRACT/ C++ ? 6 Blu-Ice . ? ? ? ? 'data collection' ? ? ? 7 HKL-2000 . ? ? ? ? 'data scaling' ? ? ? # 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 LEU A 79 ? ? -6.56 -33.56 2 1 LEU A 80 ? ? -67.19 -83.78 3 1 GLU A 89 ? ? -134.36 -149.61 4 1 ASN A 92 ? ? 68.88 129.82 5 1 SER A 146 ? ? -146.35 -159.56 6 1 GLN A 196 ? ? 66.85 -23.32 7 1 THR A 206 ? ? -131.34 -157.73 8 1 SER A 265 ? ? -148.16 -143.65 9 1 THR A 270 ? ? -131.67 -45.55 10 1 GLU A 271 ? ? 69.13 66.19 11 1 THR A 273 ? ? 55.12 95.71 12 1 THR A 290 ? ? 62.08 -5.01 13 1 VAL A 297 ? ? -66.12 -70.42 14 1 ALA B 5 ? ? -87.88 -72.22 15 1 THR B 61 ? ? -79.15 -83.10 16 1 GLN B 62 ? ? 65.18 98.11 17 1 GLU B 69 ? ? 50.16 5.51 18 1 ARG B 127 ? ? 55.65 -136.33 19 1 ALA H 9 ? ? 54.45 87.49 20 1 SER H 30 ? ? 58.73 16.25 21 1 SER H 56 ? ? 37.31 77.05 22 1 ASP H 65 ? ? 57.10 -12.85 23 1 ASN H 82 B ? 58.95 90.27 24 1 GLU H 98 ? ? 56.02 90.29 25 1 SER H 115 ? ? -127.74 -163.50 26 1 ASP H 144 ? ? 56.61 70.62 27 1 PRO H 147 ? ? -101.80 -165.90 28 1 PRO L 15 ? ? -66.45 90.46 29 1 ARG L 18 ? ? 58.99 84.41 30 1 ALA L 30 ? ? 57.30 -125.91 31 1 LEU L 47 ? ? -103.52 -69.91 32 1 ALA L 51 ? ? 64.82 -15.83 33 1 SER L 52 ? ? -125.51 -63.41 34 1 ALA L 84 ? ? -158.89 -154.44 35 1 TYR L 91 ? ? -153.34 75.42 36 1 ASN L 92 ? ? -129.77 -62.29 37 1 ASN L 138 ? ? 55.89 81.57 38 1 SER L 156 ? ? -118.75 -85.68 39 1 LYS L 169 ? ? -95.73 -73.86 40 1 LYS L 190 ? ? -108.23 -64.90 41 1 HIS L 198 ? ? -118.64 -76.75 42 1 GLN L 199 ? ? -179.58 141.25 43 1 SER L 203 ? ? 67.77 156.02 # 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 ASP 94 A A ASP 89 2 1 Y 1 A GLY 94 B A GLY 90 3 1 Y 1 A GLN 325 ? A GLN 323 4 1 Y 1 A ILE 326 ? A ILE 324 5 1 Y 1 A GLU 327 ? A GLU 325 6 1 Y 1 A SER 328 ? A SER 326 7 1 Y 1 A ARG 329 ? A ARG 327 8 1 Y 1 B ILE 173 ? B ILE 173 9 1 Y 1 B LYS 174 ? B LYS 174 10 1 Y 1 H GLU 1 ? C GLU 1 11 1 Y 1 H CYS 216 ? C CYS 226 12 1 Y 1 L GLU 213 ? D GLU 214 13 1 Y 1 L CYS 214 ? D CYS 215 # _pdbx_entity_nonpoly.entity_id 5 _pdbx_entity_nonpoly.name N-ACETYL-D-GLUCOSAMINE _pdbx_entity_nonpoly.comp_id NAG #