data_4BQB # _entry.id 4BQB # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4BQB PDBE EBI-57069 WWPDB D_1290057069 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.content_type _pdbx_database_related.details PDB 4BQ6 unspecified 'CRYSTAL STRUCTURE OF THE RGMB-NEO1 COMPLEX FORM 1' PDB 4BQ7 unspecified 'CRYSTAL STRUCTURE OF THE RGMB-NEO1 COMPLEX FORM 2' PDB 4BQ8 unspecified 'CRYSTAL STRUCTURE OF THE RGMB-NEO1 COMPLEX FORM 3' PDB 4BQ9 unspecified 'CRYSTAL STRUCTURE OF THE FN5 AND FN6 DOMAINS OF NEO1, FORM 1' PDB 4BQC unspecified 'CRYSTAL STRUCTURE OF THE FN5 AND FN6 DOMAINS OF NEO1 BOUND TO SOS' # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4BQB _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.SG_entry . _pdbx_database_status.recvd_initial_deposition_date 2013-05-30 _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Bell, C.H.' 1 'Healey, E.' 2 'van Erp, S.' 3 'Bishop, B.' 4 'Tang, C.' 5 'Gilbert, R.J.C.' 6 'Aricescu, A.R.' 7 'Pasterkamp, R.J.' 8 'Siebold, C.' 9 # _citation.id primary _citation.title 'Structure of the Repulsive Guidance Molecule (Rgm)-Neogenin Signaling Hub' _citation.journal_abbrev Science _citation.journal_volume 341 _citation.page_first 77 _citation.page_last ? _citation.year 2013 _citation.journal_id_ASTM SCIEAS _citation.country US _citation.journal_id_ISSN 0036-8075 _citation.journal_id_CSD 0038 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 23744777 _citation.pdbx_database_id_DOI 10.1126/SCIENCE.1232322 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Bell, C.H.' 1 primary 'Healey, E.' 2 primary 'Van Erp, S.' 3 primary 'Bishop, B.' 4 primary 'Tang, C.' 5 primary 'Gilbert, R.J.C.' 6 primary 'Aricescu, A.R.' 7 primary 'Pasterkamp, R.J.' 8 primary 'Siebold, C.' 9 # _cell.entry_id 4BQB _cell.length_a 58.897 _cell.length_b 97.394 _cell.length_c 91.341 _cell.angle_alpha 90.00 _cell.angle_beta 106.41 _cell.angle_gamma 90.00 _cell.Z_PDB 8 _cell.pdbx_unique_axis ? # _symmetry.entry_id 4BQB _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 # 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 NEOGENIN 29221.842 4 ? ? 'FN-TYPE III DOMAINS 5 AND 6, RESIDUES 883-1133' 'N-LINKED GLYCOSYLATION AT N940' 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;ETGTPMMPPVGVQASILSHDTIRITWADNSLPKHQKITDSRYYTVRWKTNIPANTKYKNANATTLSYLVTGLKPNTLYEF SVMVTKGRRSSTWSMTAHGATFELVPTSPPKDVTVVSKEGKPRTIIVNWQPPSEANGKITGYIIYYSTDVNAEIHDWVIE PVVGNRLTHQIQELTLDTPYYFKIQARNSKGMGPMSEAVQFRTPKADSSDKMPNDQALGSAGKGSRLPDLGSDYKPPMSG SNSPHGSPTSPLDSNGTKHHHHHH ; _entity_poly.pdbx_seq_one_letter_code_can ;ETGTPMMPPVGVQASILSHDTIRITWADNSLPKHQKITDSRYYTVRWKTNIPANTKYKNANATTLSYLVTGLKPNTLYEF SVMVTKGRRSSTWSMTAHGATFELVPTSPPKDVTVVSKEGKPRTIIVNWQPPSEANGKITGYIIYYSTDVNAEIHDWVIE PVVGNRLTHQIQELTLDTPYYFKIQARNSKGMGPMSEAVQFRTPKADSSDKMPNDQALGSAGKGSRLPDLGSDYKPPMSG SNSPHGSPTSPLDSNGTKHHHHHH ; _entity_poly.pdbx_strand_id A,B,C,D _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLU n 1 2 THR n 1 3 GLY n 1 4 THR n 1 5 PRO n 1 6 MET n 1 7 MET n 1 8 PRO n 1 9 PRO n 1 10 VAL n 1 11 GLY n 1 12 VAL n 1 13 GLN n 1 14 ALA n 1 15 SER n 1 16 ILE n 1 17 LEU n 1 18 SER n 1 19 HIS n 1 20 ASP n 1 21 THR n 1 22 ILE n 1 23 ARG n 1 24 ILE n 1 25 THR n 1 26 TRP n 1 27 ALA n 1 28 ASP n 1 29 ASN n 1 30 SER n 1 31 LEU n 1 32 PRO n 1 33 LYS n 1 34 HIS n 1 35 GLN n 1 36 LYS n 1 37 ILE n 1 38 THR n 1 39 ASP n 1 40 SER n 1 41 ARG n 1 42 TYR n 1 43 TYR n 1 44 THR n 1 45 VAL n 1 46 ARG n 1 47 TRP n 1 48 LYS n 1 49 THR n 1 50 ASN n 1 51 ILE n 1 52 PRO n 1 53 ALA n 1 54 ASN n 1 55 THR n 1 56 LYS n 1 57 TYR n 1 58 LYS n 1 59 ASN n 1 60 ALA n 1 61 ASN n 1 62 ALA n 1 63 THR n 1 64 THR n 1 65 LEU n 1 66 SER n 1 67 TYR n 1 68 LEU n 1 69 VAL n 1 70 THR n 1 71 GLY n 1 72 LEU n 1 73 LYS n 1 74 PRO n 1 75 ASN n 1 76 THR n 1 77 LEU n 1 78 TYR n 1 79 GLU n 1 80 PHE n 1 81 SER n 1 82 VAL n 1 83 MET n 1 84 VAL n 1 85 THR n 1 86 LYS n 1 87 GLY n 1 88 ARG n 1 89 ARG n 1 90 SER n 1 91 SER n 1 92 THR n 1 93 TRP n 1 94 SER n 1 95 MET n 1 96 THR n 1 97 ALA n 1 98 HIS n 1 99 GLY n 1 100 ALA n 1 101 THR n 1 102 PHE n 1 103 GLU n 1 104 LEU n 1 105 VAL n 1 106 PRO n 1 107 THR n 1 108 SER n 1 109 PRO n 1 110 PRO n 1 111 LYS n 1 112 ASP n 1 113 VAL n 1 114 THR n 1 115 VAL n 1 116 VAL n 1 117 SER n 1 118 LYS n 1 119 GLU n 1 120 GLY n 1 121 LYS n 1 122 PRO n 1 123 ARG n 1 124 THR n 1 125 ILE n 1 126 ILE n 1 127 VAL n 1 128 ASN n 1 129 TRP n 1 130 GLN n 1 131 PRO n 1 132 PRO n 1 133 SER n 1 134 GLU n 1 135 ALA n 1 136 ASN n 1 137 GLY n 1 138 LYS n 1 139 ILE n 1 140 THR n 1 141 GLY n 1 142 TYR n 1 143 ILE n 1 144 ILE n 1 145 TYR n 1 146 TYR n 1 147 SER n 1 148 THR n 1 149 ASP n 1 150 VAL n 1 151 ASN n 1 152 ALA n 1 153 GLU n 1 154 ILE n 1 155 HIS n 1 156 ASP n 1 157 TRP n 1 158 VAL n 1 159 ILE n 1 160 GLU n 1 161 PRO n 1 162 VAL n 1 163 VAL n 1 164 GLY n 1 165 ASN n 1 166 ARG n 1 167 LEU n 1 168 THR n 1 169 HIS n 1 170 GLN n 1 171 ILE n 1 172 GLN n 1 173 GLU n 1 174 LEU n 1 175 THR n 1 176 LEU n 1 177 ASP n 1 178 THR n 1 179 PRO n 1 180 TYR n 1 181 TYR n 1 182 PHE n 1 183 LYS n 1 184 ILE n 1 185 GLN n 1 186 ALA n 1 187 ARG n 1 188 ASN n 1 189 SER n 1 190 LYS n 1 191 GLY n 1 192 MET n 1 193 GLY n 1 194 PRO n 1 195 MET n 1 196 SER n 1 197 GLU n 1 198 ALA n 1 199 VAL n 1 200 GLN n 1 201 PHE n 1 202 ARG n 1 203 THR n 1 204 PRO n 1 205 LYS n 1 206 ALA n 1 207 ASP n 1 208 SER n 1 209 SER n 1 210 ASP n 1 211 LYS n 1 212 MET n 1 213 PRO n 1 214 ASN n 1 215 ASP n 1 216 GLN n 1 217 ALA n 1 218 LEU n 1 219 GLY n 1 220 SER n 1 221 ALA n 1 222 GLY n 1 223 LYS n 1 224 GLY n 1 225 SER n 1 226 ARG n 1 227 LEU n 1 228 PRO n 1 229 ASP n 1 230 LEU n 1 231 GLY n 1 232 SER n 1 233 ASP n 1 234 TYR n 1 235 LYS n 1 236 PRO n 1 237 PRO n 1 238 MET n 1 239 SER n 1 240 GLY n 1 241 SER n 1 242 ASN n 1 243 SER n 1 244 PRO n 1 245 HIS n 1 246 GLY n 1 247 SER n 1 248 PRO n 1 249 THR n 1 250 SER n 1 251 PRO n 1 252 LEU n 1 253 ASP n 1 254 SER n 1 255 ASN n 1 256 GLY n 1 257 THR n 1 258 LYS n 1 259 HIS n 1 260 HIS n 1 261 HIS n 1 262 HIS n 1 263 HIS n 1 264 HIS n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _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 'HOUSE MOUSE' _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 'MUS MUSCULUS' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 10090 _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 HUMAN _entity_src_gen.pdbx_host_org_scientific_name 'HOMO SAPIENS' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 9606 _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 'HEK293T CELLS' _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 PLASMID _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name PHLSEC _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code NEO1_MOUSE _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin ? _struct_ref.pdbx_db_accession P97798 _struct_ref.pdbx_db_isoform ? # 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 4BQB A 4 ? 254 ? P97798 883 ? 1133 ? 883 1133 2 1 4BQB B 4 ? 254 ? P97798 883 ? 1133 ? 883 1133 3 1 4BQB C 4 ? 254 ? P97798 883 ? 1133 ? 883 1133 4 1 4BQB D 4 ? 254 ? P97798 883 ? 1133 ? 883 1133 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 4BQB GLU A 1 ? UNP P97798 ? ? 'expression tag' 880 1 1 4BQB THR A 2 ? UNP P97798 ? ? 'expression tag' 881 2 1 4BQB GLY A 3 ? UNP P97798 ? ? 'expression tag' 882 3 1 4BQB ASN A 255 ? UNP P97798 ? ? 'expression tag' 1134 4 1 4BQB GLY A 256 ? UNP P97798 ? ? 'expression tag' 1135 5 1 4BQB THR A 257 ? UNP P97798 ? ? 'expression tag' 1136 6 1 4BQB LYS A 258 ? UNP P97798 ? ? 'expression tag' 1137 7 1 4BQB HIS A 259 ? UNP P97798 ? ? 'expression tag' 1138 8 1 4BQB HIS A 260 ? UNP P97798 ? ? 'expression tag' 1139 9 1 4BQB HIS A 261 ? UNP P97798 ? ? 'expression tag' 1140 10 1 4BQB HIS A 262 ? UNP P97798 ? ? 'expression tag' 1141 11 1 4BQB HIS A 263 ? UNP P97798 ? ? 'expression tag' 1142 12 1 4BQB HIS A 264 ? UNP P97798 ? ? 'expression tag' 1143 13 2 4BQB GLU B 1 ? UNP P97798 ? ? 'expression tag' 880 14 2 4BQB THR B 2 ? UNP P97798 ? ? 'expression tag' 881 15 2 4BQB GLY B 3 ? UNP P97798 ? ? 'expression tag' 882 16 2 4BQB ASN B 255 ? UNP P97798 ? ? 'expression tag' 1134 17 2 4BQB GLY B 256 ? UNP P97798 ? ? 'expression tag' 1135 18 2 4BQB THR B 257 ? UNP P97798 ? ? 'expression tag' 1136 19 2 4BQB LYS B 258 ? UNP P97798 ? ? 'expression tag' 1137 20 2 4BQB HIS B 259 ? UNP P97798 ? ? 'expression tag' 1138 21 2 4BQB HIS B 260 ? UNP P97798 ? ? 'expression tag' 1139 22 2 4BQB HIS B 261 ? UNP P97798 ? ? 'expression tag' 1140 23 2 4BQB HIS B 262 ? UNP P97798 ? ? 'expression tag' 1141 24 2 4BQB HIS B 263 ? UNP P97798 ? ? 'expression tag' 1142 25 2 4BQB HIS B 264 ? UNP P97798 ? ? 'expression tag' 1143 26 3 4BQB GLU C 1 ? UNP P97798 ? ? 'expression tag' 880 27 3 4BQB THR C 2 ? UNP P97798 ? ? 'expression tag' 881 28 3 4BQB GLY C 3 ? UNP P97798 ? ? 'expression tag' 882 29 3 4BQB ASN C 255 ? UNP P97798 ? ? 'expression tag' 1134 30 3 4BQB GLY C 256 ? UNP P97798 ? ? 'expression tag' 1135 31 3 4BQB THR C 257 ? UNP P97798 ? ? 'expression tag' 1136 32 3 4BQB LYS C 258 ? UNP P97798 ? ? 'expression tag' 1137 33 3 4BQB HIS C 259 ? UNP P97798 ? ? 'expression tag' 1138 34 3 4BQB HIS C 260 ? UNP P97798 ? ? 'expression tag' 1139 35 3 4BQB HIS C 261 ? UNP P97798 ? ? 'expression tag' 1140 36 3 4BQB HIS C 262 ? UNP P97798 ? ? 'expression tag' 1141 37 3 4BQB HIS C 263 ? UNP P97798 ? ? 'expression tag' 1142 38 3 4BQB HIS C 264 ? UNP P97798 ? ? 'expression tag' 1143 39 4 4BQB GLU D 1 ? UNP P97798 ? ? 'expression tag' 880 40 4 4BQB THR D 2 ? UNP P97798 ? ? 'expression tag' 881 41 4 4BQB GLY D 3 ? UNP P97798 ? ? 'expression tag' 882 42 4 4BQB ASN D 255 ? UNP P97798 ? ? 'expression tag' 1134 43 4 4BQB GLY D 256 ? UNP P97798 ? ? 'expression tag' 1135 44 4 4BQB THR D 257 ? UNP P97798 ? ? 'expression tag' 1136 45 4 4BQB LYS D 258 ? UNP P97798 ? ? 'expression tag' 1137 46 4 4BQB HIS D 259 ? UNP P97798 ? ? 'expression tag' 1138 47 4 4BQB HIS D 260 ? UNP P97798 ? ? 'expression tag' 1139 48 4 4BQB HIS D 261 ? UNP P97798 ? ? 'expression tag' 1140 49 4 4BQB HIS D 262 ? UNP P97798 ? ? 'expression tag' 1141 50 4 4BQB HIS D 263 ? UNP P97798 ? ? 'expression tag' 1142 51 4 4BQB HIS D 264 ? UNP P97798 ? ? 'expression tag' 1143 52 # 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 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.entry_id 4BQB _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.15 _exptl_crystal.density_percent_sol 56 _exptl_crystal.description NONE # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp ? _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 8.5 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details '0.13 M POTASSIUM NITRATE, 13% PEG3350, pH 8.5' # _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 'ADSC CCD' _diffrn_detector.pdbx_collection_date ? _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.97922 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'DIAMOND BEAMLINE I03' _diffrn_source.pdbx_synchrotron_site Diamond _diffrn_source.pdbx_synchrotron_beamline I03 _diffrn_source.pdbx_wavelength 0.97922 _diffrn_source.pdbx_wavelength_list ? # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 4BQB _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 30.00 _reflns.d_resolution_high 2.70 _reflns.number_obs 26660 _reflns.number_all ? _reflns.percent_possible_obs 97.7 _reflns.pdbx_Rmerge_I_obs 0.08 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 11.30 _reflns.B_iso_Wilson_estimate 82.22 _reflns.pdbx_redundancy 2.3 # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 2.70 _reflns_shell.d_res_low 2.80 _reflns_shell.percent_possible_all 92.7 _reflns_shell.Rmerge_I_obs 0.83 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 1.20 _reflns_shell.pdbx_redundancy 2.2 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 4BQB _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 26625 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 30.00 _refine.ls_d_res_high 2.70 _refine.ls_percent_reflns_obs 97.64 _refine.ls_R_factor_obs 0.2008 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.1996 _refine.ls_R_factor_R_free 0.2230 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.02 _refine.ls_number_reflns_R_free 1337 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.9261 _refine.correlation_coeff_Fo_to_Fc_free 0.9097 _refine.B_iso_mean 89.53 _refine.aniso_B[1][1] 5.5259 _refine.aniso_B[2][2] -20.6280 _refine.aniso_B[3][3] 15.1022 _refine.aniso_B[1][2] 0.0000 _refine.aniso_B[1][3] 0.9268 _refine.aniso_B[2][3] 0.0000 _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.pdbx_overall_phase_error ? _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI 1.208 _refine.pdbx_overall_SU_R_free_Cruickshank_DPI 0.296 _refine.pdbx_overall_SU_R_Blow_DPI 0.816 _refine.pdbx_overall_SU_R_free_Blow_DPI 0.283 # _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_analyze.entry_id 4BQB _refine_analyze.Luzzati_coordinate_error_obs 0.468 _refine_analyze.Luzzati_sigma_a_obs ? _refine_analyze.Luzzati_d_res_low_obs ? _refine_analyze.Luzzati_coordinate_error_free ? _refine_analyze.Luzzati_sigma_a_free ? _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 6281 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 56 _refine_hist.number_atoms_solvent 0 _refine_hist.number_atoms_total 6337 _refine_hist.d_res_high 2.70 _refine_hist.d_res_low 30.00 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function t_bond_d 0.010 ? 2.00 6510 'X-RAY DIFFRACTION' HARMONIC t_angle_deg 1.13 ? 2.00 8893 'X-RAY DIFFRACTION' HARMONIC t_dihedral_angle_d ? ? 2.00 2182 'X-RAY DIFFRACTION' SINUSOIDAL t_incorr_chiral_ct ? ? ? ? 'X-RAY DIFFRACTION' ? t_pseud_angle ? ? ? ? 'X-RAY DIFFRACTION' ? t_trig_c_planes ? ? 2.00 127 'X-RAY DIFFRACTION' HARMONIC t_gen_planes ? ? 5.00 927 'X-RAY DIFFRACTION' HARMONIC t_it ? ? 20.00 6510 'X-RAY DIFFRACTION' HARMONIC t_nbd ? ? ? ? 'X-RAY DIFFRACTION' ? t_omega_torsion 3.07 ? ? ? 'X-RAY DIFFRACTION' ? t_other_torsion 18.27 ? ? ? 'X-RAY DIFFRACTION' ? t_improper_torsion ? ? ? ? 'X-RAY DIFFRACTION' ? t_chiral_improper_torsion ? ? 5.00 920 'X-RAY DIFFRACTION' SEMIHARMONIC t_sum_occupancies ? ? ? ? 'X-RAY DIFFRACTION' ? t_utility_distance ? ? ? ? 'X-RAY DIFFRACTION' ? t_utility_angle ? ? ? ? 'X-RAY DIFFRACTION' ? t_utility_torsion ? ? ? ? 'X-RAY DIFFRACTION' ? t_ideal_dist_contact ? ? 4.00 7160 'X-RAY DIFFRACTION' SEMIHARMONIC # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 13 _refine_ls_shell.d_res_high 2.70 _refine_ls_shell.d_res_low 2.81 _refine_ls_shell.number_reflns_R_work 2704 _refine_ls_shell.R_factor_R_work 0.2445 _refine_ls_shell.percent_reflns_obs 97.64 _refine_ls_shell.R_factor_R_free 0.2543 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free 4.69 _refine_ls_shell.number_reflns_R_free 133 _refine_ls_shell.number_reflns_all 2837 _refine_ls_shell.R_factor_all 0.2450 # loop_ _struct_ncs_oper.id _struct_ncs_oper.code _struct_ncs_oper.details _struct_ncs_oper.matrix[1][1] _struct_ncs_oper.matrix[1][2] _struct_ncs_oper.matrix[1][3] _struct_ncs_oper.matrix[2][1] _struct_ncs_oper.matrix[2][2] _struct_ncs_oper.matrix[2][3] _struct_ncs_oper.matrix[3][1] _struct_ncs_oper.matrix[3][2] _struct_ncs_oper.matrix[3][3] _struct_ncs_oper.vector[1] _struct_ncs_oper.vector[2] _struct_ncs_oper.vector[3] 1 given ? -0.998700 0.047050 -0.018850 -0.048150 -0.996800 0.063270 -0.015810 0.064090 0.997800 31.33000 10.26000 0.57980 2 given ? 0.223500 -0.974000 -0.036290 -0.974300 -0.224400 0.021590 -0.029170 0.030530 -0.999100 17.23000 19.52000 44.11000 3 given ? -0.247200 0.968500 0.028560 0.965500 0.248700 -0.077680 -0.082340 0.008369 -0.996600 14.53000 -7.82400 44.97000 # _struct.entry_id 4BQB _struct.title 'Crystal structure of the FN5 and FN6 domains of NEO1, form 2' _struct.pdbx_descriptor NEOGENIN _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4BQB _struct_keywords.pdbx_keywords 'CELL ADHESION' _struct_keywords.text 'CELL ADHESION' # 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 1 ? C N N 1 ? D N N 1 ? E N N 2 ? F N N 2 ? G N N 2 ? H N N 2 ? # _struct_biol.id 1 # 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 GLU A 153 ? TRP A 157 ? GLU A 1032 TRP A 1036 5 ? 5 HELX_P HELX_P2 2 GLU B 153 ? TRP B 157 ? GLU B 1032 TRP B 1036 5 ? 5 HELX_P HELX_P3 3 GLU C 153 ? TRP C 157 ? GLU C 1032 TRP C 1036 5 ? 5 HELX_P HELX_P4 4 GLU D 153 ? TRP D 157 ? GLU D 1032 TRP D 1036 5 ? 5 # _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 covale1 covale ? ? A ASN 61 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 940 A NAG 2084 1_555 ? ? ? ? ? ? ? 1.432 ? covale2 covale ? ? B ASN 61 ND2 ? ? ? 1_555 F NAG . C1 ? ? B ASN 940 B NAG 2084 1_555 ? ? ? ? ? ? ? 1.432 ? covale3 covale ? ? C ASN 61 ND2 ? ? ? 1_555 G NAG . C1 ? ? C ASN 940 C NAG 2084 1_555 ? ? ? ? ? ? ? 1.434 ? covale4 covale ? ? D ASN 61 ND2 ? ? ? 1_555 H NAG . C1 ? ? D ASN 940 D NAG 2086 1_555 ? ? ? ? ? ? ? 1.423 ? # _struct_conn_type.id covale _struct_conn_type.criteria ? _struct_conn_type.reference ? # 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 ILE 51 A . ? ILE 930 A PRO 52 A ? PRO 931 A 1 -1.52 2 ILE 51 B . ? ILE 930 B PRO 52 B ? PRO 931 B 1 -0.88 3 ILE 51 D . ? ILE 930 D PRO 52 D ? PRO 931 D 1 -0.57 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA ? 3 ? AB ? 4 ? AC ? 4 ? AD ? 2 ? AE ? 3 ? AF ? 4 ? AG ? 4 ? AH ? 2 ? BA ? 3 ? BB ? 4 ? BC ? 4 ? BD ? 2 ? BE ? 3 ? BF ? 4 ? BG ? 4 ? BH ? 2 ? CA ? 3 ? CB ? 4 ? CC ? 4 ? CD ? 2 ? CE ? 3 ? CF ? 4 ? CG ? 4 ? CH ? 2 ? DA ? 3 ? DB ? 4 ? DC ? 4 ? DD ? 2 ? DE ? 3 ? DF ? 4 ? DG ? 4 ? DH ? 2 ? # 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 AA 1 2 ? anti-parallel AA 2 3 ? anti-parallel AB 1 2 ? anti-parallel AB 2 3 ? anti-parallel AB 3 4 ? anti-parallel AC 1 2 ? anti-parallel AC 2 3 ? anti-parallel AC 3 4 ? anti-parallel AD 1 2 ? anti-parallel AE 1 2 ? anti-parallel AE 2 3 ? anti-parallel AF 1 2 ? anti-parallel AF 2 3 ? anti-parallel AF 3 4 ? anti-parallel AG 1 2 ? anti-parallel AG 2 3 ? anti-parallel AG 3 4 ? anti-parallel AH 1 2 ? anti-parallel BA 1 2 ? anti-parallel BA 2 3 ? anti-parallel BB 1 2 ? anti-parallel BB 2 3 ? anti-parallel BB 3 4 ? anti-parallel BC 1 2 ? anti-parallel BC 2 3 ? anti-parallel BC 3 4 ? anti-parallel BD 1 2 ? anti-parallel BE 1 2 ? anti-parallel BE 2 3 ? anti-parallel BF 1 2 ? anti-parallel BF 2 3 ? anti-parallel BF 3 4 ? anti-parallel BG 1 2 ? anti-parallel BG 2 3 ? anti-parallel BG 3 4 ? anti-parallel BH 1 2 ? anti-parallel CA 1 2 ? anti-parallel CA 2 3 ? anti-parallel CB 1 2 ? anti-parallel CB 2 3 ? anti-parallel CB 3 4 ? anti-parallel CC 1 2 ? anti-parallel CC 2 3 ? anti-parallel CC 3 4 ? anti-parallel CD 1 2 ? anti-parallel CE 1 2 ? anti-parallel CE 2 3 ? anti-parallel CF 1 2 ? anti-parallel CF 2 3 ? anti-parallel CF 3 4 ? anti-parallel CG 1 2 ? anti-parallel CG 2 3 ? anti-parallel CG 3 4 ? anti-parallel CH 1 2 ? anti-parallel DA 1 2 ? anti-parallel DA 2 3 ? anti-parallel DB 1 2 ? anti-parallel DB 2 3 ? anti-parallel DB 3 4 ? anti-parallel DC 1 2 ? anti-parallel DC 2 3 ? anti-parallel DC 3 4 ? anti-parallel DD 1 2 ? anti-parallel DE 1 2 ? anti-parallel DE 2 3 ? anti-parallel DF 1 2 ? anti-parallel DF 2 3 ? anti-parallel DF 3 4 ? anti-parallel DG 1 2 ? anti-parallel DG 2 3 ? anti-parallel DG 3 4 ? anti-parallel DH 1 2 ? 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 AA 1 VAL A 10 ? ILE A 16 ? VAL A 889 ILE A 895 AA 2 ILE A 22 ? ALA A 27 ? ILE A 901 ALA A 906 AA 3 SER A 66 ? VAL A 69 ? SER A 945 VAL A 948 AB 1 LYS A 58 ? ALA A 62 ? LYS A 937 ALA A 941 AB 2 TYR A 42 ? THR A 49 ? TYR A 921 THR A 928 AB 3 LEU A 77 ? LYS A 86 ? LEU A 956 LYS A 965 AB 4 ARG A 89 ? SER A 90 ? ARG A 968 SER A 969 AC 1 LYS A 58 ? ALA A 62 ? LYS A 937 ALA A 941 AC 2 TYR A 42 ? THR A 49 ? TYR A 921 THR A 928 AC 3 LEU A 77 ? LYS A 86 ? LEU A 956 LYS A 965 AC 4 ALA A 97 ? ALA A 100 ? ALA A 976 ALA A 979 AD 1 ARG A 89 ? SER A 90 ? ARG A 968 SER A 969 AD 2 LEU A 77 ? LYS A 86 ? LEU A 956 LYS A 965 AE 1 LYS A 111 ? LYS A 118 ? LYS A 990 LYS A 997 AE 2 LYS A 121 ? GLN A 130 ? LYS A 1000 GLN A 1009 AE 3 THR A 168 ? ILE A 171 ? THR A 1047 ILE A 1050 AF 1 VAL A 158 ? VAL A 163 ? VAL A 1037 VAL A 1042 AF 2 ILE A 139 ? SER A 147 ? ILE A 1018 SER A 1026 AF 3 PRO A 179 ? ASN A 188 ? PRO A 1058 ASN A 1067 AF 4 GLY A 191 ? MET A 195 ? GLY A 1070 MET A 1074 AG 1 VAL A 158 ? VAL A 163 ? VAL A 1037 VAL A 1042 AG 2 ILE A 139 ? SER A 147 ? ILE A 1018 SER A 1026 AG 3 PRO A 179 ? ASN A 188 ? PRO A 1058 ASN A 1067 AG 4 VAL A 199 ? ARG A 202 ? VAL A 1078 ARG A 1081 AH 1 GLY A 191 ? MET A 195 ? GLY A 1070 MET A 1074 AH 2 PRO A 179 ? ASN A 188 ? PRO A 1058 ASN A 1067 BA 1 VAL B 10 ? ILE B 16 ? VAL B 889 ILE B 895 BA 2 ILE B 22 ? ALA B 27 ? ILE B 901 ALA B 906 BA 3 SER B 66 ? VAL B 69 ? SER B 945 VAL B 948 BB 1 LYS B 58 ? ALA B 62 ? LYS B 937 ALA B 941 BB 2 TYR B 42 ? THR B 49 ? TYR B 921 THR B 928 BB 3 LEU B 77 ? LYS B 86 ? LEU B 956 LYS B 965 BB 4 ARG B 89 ? SER B 90 ? ARG B 968 SER B 969 BC 1 LYS B 58 ? ALA B 62 ? LYS B 937 ALA B 941 BC 2 TYR B 42 ? THR B 49 ? TYR B 921 THR B 928 BC 3 LEU B 77 ? LYS B 86 ? LEU B 956 LYS B 965 BC 4 ALA B 97 ? ALA B 100 ? ALA B 976 ALA B 979 BD 1 ARG B 89 ? SER B 90 ? ARG B 968 SER B 969 BD 2 LEU B 77 ? LYS B 86 ? LEU B 956 LYS B 965 BE 1 LYS B 111 ? LYS B 118 ? LYS B 990 LYS B 997 BE 2 LYS B 121 ? GLN B 130 ? LYS B 1000 GLN B 1009 BE 3 THR B 168 ? ILE B 171 ? THR B 1047 ILE B 1050 BF 1 VAL B 158 ? VAL B 163 ? VAL B 1037 VAL B 1042 BF 2 ILE B 139 ? SER B 147 ? ILE B 1018 SER B 1026 BF 3 PRO B 179 ? ASN B 188 ? PRO B 1058 ASN B 1067 BF 4 GLY B 191 ? MET B 195 ? GLY B 1070 MET B 1074 BG 1 VAL B 158 ? VAL B 163 ? VAL B 1037 VAL B 1042 BG 2 ILE B 139 ? SER B 147 ? ILE B 1018 SER B 1026 BG 3 PRO B 179 ? ASN B 188 ? PRO B 1058 ASN B 1067 BG 4 VAL B 199 ? ARG B 202 ? VAL B 1078 ARG B 1081 BH 1 GLY B 191 ? MET B 195 ? GLY B 1070 MET B 1074 BH 2 PRO B 179 ? ASN B 188 ? PRO B 1058 ASN B 1067 CA 1 VAL C 10 ? ILE C 16 ? VAL C 889 ILE C 895 CA 2 ILE C 22 ? ALA C 27 ? ILE C 901 ALA C 906 CA 3 SER C 66 ? VAL C 69 ? SER C 945 VAL C 948 CB 1 LYS C 58 ? ALA C 62 ? LYS C 937 ALA C 941 CB 2 TYR C 42 ? THR C 49 ? TYR C 921 THR C 928 CB 3 LEU C 77 ? LYS C 86 ? LEU C 956 LYS C 965 CB 4 ARG C 89 ? SER C 90 ? ARG C 968 SER C 969 CC 1 LYS C 58 ? ALA C 62 ? LYS C 937 ALA C 941 CC 2 TYR C 42 ? THR C 49 ? TYR C 921 THR C 928 CC 3 LEU C 77 ? LYS C 86 ? LEU C 956 LYS C 965 CC 4 ALA C 97 ? ALA C 100 ? ALA C 976 ALA C 979 CD 1 ARG C 89 ? SER C 90 ? ARG C 968 SER C 969 CD 2 LEU C 77 ? LYS C 86 ? LEU C 956 LYS C 965 CE 1 LYS C 111 ? LYS C 118 ? LYS C 990 LYS C 997 CE 2 LYS C 121 ? GLN C 130 ? LYS C 1000 GLN C 1009 CE 3 THR C 168 ? ILE C 171 ? THR C 1047 ILE C 1050 CF 1 VAL C 158 ? VAL C 163 ? VAL C 1037 VAL C 1042 CF 2 ILE C 139 ? SER C 147 ? ILE C 1018 SER C 1026 CF 3 PRO C 179 ? ASN C 188 ? PRO C 1058 ASN C 1067 CF 4 GLY C 191 ? MET C 195 ? GLY C 1070 MET C 1074 CG 1 VAL C 158 ? VAL C 163 ? VAL C 1037 VAL C 1042 CG 2 ILE C 139 ? SER C 147 ? ILE C 1018 SER C 1026 CG 3 PRO C 179 ? ASN C 188 ? PRO C 1058 ASN C 1067 CG 4 VAL C 199 ? ARG C 202 ? VAL C 1078 ARG C 1081 CH 1 GLY C 191 ? MET C 195 ? GLY C 1070 MET C 1074 CH 2 PRO C 179 ? ASN C 188 ? PRO C 1058 ASN C 1067 DA 1 VAL D 10 ? ILE D 16 ? VAL D 889 ILE D 895 DA 2 ILE D 22 ? ALA D 27 ? ILE D 901 ALA D 906 DA 3 SER D 66 ? VAL D 69 ? SER D 945 VAL D 948 DB 1 LYS D 58 ? ALA D 62 ? LYS D 937 ALA D 941 DB 2 TYR D 42 ? THR D 49 ? TYR D 921 THR D 928 DB 3 LEU D 77 ? LYS D 86 ? LEU D 956 LYS D 965 DB 4 ARG D 89 ? SER D 90 ? ARG D 968 SER D 969 DC 1 LYS D 58 ? ALA D 62 ? LYS D 937 ALA D 941 DC 2 TYR D 42 ? THR D 49 ? TYR D 921 THR D 928 DC 3 LEU D 77 ? LYS D 86 ? LEU D 956 LYS D 965 DC 4 ALA D 97 ? ALA D 100 ? ALA D 976 ALA D 979 DD 1 ARG D 89 ? SER D 90 ? ARG D 968 SER D 969 DD 2 LEU D 77 ? LYS D 86 ? LEU D 956 LYS D 965 DE 1 LYS D 111 ? LYS D 118 ? LYS D 990 LYS D 997 DE 2 LYS D 121 ? GLN D 130 ? LYS D 1000 GLN D 1009 DE 3 THR D 168 ? ILE D 171 ? THR D 1047 ILE D 1050 DF 1 VAL D 158 ? VAL D 163 ? VAL D 1037 VAL D 1042 DF 2 ILE D 139 ? SER D 147 ? ILE D 1018 SER D 1026 DF 3 PRO D 179 ? ASN D 188 ? PRO D 1058 ASN D 1067 DF 4 GLY D 191 ? MET D 195 ? GLY D 1070 MET D 1074 DG 1 VAL D 158 ? VAL D 163 ? VAL D 1037 VAL D 1042 DG 2 ILE D 139 ? SER D 147 ? ILE D 1018 SER D 1026 DG 3 PRO D 179 ? ASN D 188 ? PRO D 1058 ASN D 1067 DG 4 VAL D 199 ? ARG D 202 ? VAL D 1078 ARG D 1081 DH 1 GLY D 191 ? MET D 195 ? GLY D 1070 MET D 1074 DH 2 PRO D 179 ? ASN D 188 ? PRO D 1058 ASN D 1067 # 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 AA 1 2 N SER A 15 ? N SER A 894 O ARG A 23 ? O ARG A 902 AA 2 3 N ILE A 24 ? N ILE A 903 O TYR A 67 ? O TYR A 946 AB 1 2 N ALA A 62 ? N ALA A 941 O TYR A 43 ? O TYR A 922 AB 2 3 N LYS A 48 ? N LYS A 927 O GLU A 79 ? O GLU A 958 AB 3 4 N LYS A 86 ? N LYS A 965 O ARG A 89 ? O ARG A 968 AC 1 2 N ALA A 62 ? N ALA A 941 O TYR A 43 ? O TYR A 922 AC 2 3 N LYS A 48 ? N LYS A 927 O GLU A 79 ? O GLU A 958 AC 3 4 N PHE A 80 ? N PHE A 959 O ALA A 97 ? O ALA A 976 AD 1 2 N ARG A 89 ? N ARG A 968 O LYS A 86 ? O LYS A 965 AE 1 2 O LYS A 118 ? O LYS A 997 N LYS A 121 ? N LYS A 1000 AE 2 3 N VAL A 127 ? N VAL A 1006 O HIS A 169 ? O HIS A 1048 AF 1 2 N VAL A 162 ? N VAL A 1041 O TYR A 142 ? O TYR A 1021 AF 2 3 N SER A 147 ? N SER A 1026 O TYR A 181 ? O TYR A 1060 AF 3 4 N ASN A 188 ? N ASN A 1067 O GLY A 191 ? O GLY A 1070 AG 1 2 N VAL A 162 ? N VAL A 1041 O TYR A 142 ? O TYR A 1021 AG 2 3 N SER A 147 ? N SER A 1026 O TYR A 181 ? O TYR A 1060 AG 3 4 N PHE A 182 ? N PHE A 1061 O VAL A 199 ? O VAL A 1078 AH 1 2 N GLY A 193 ? N GLY A 1072 O ALA A 186 ? O ALA A 1065 BA 1 2 N SER B 15 ? N SER B 894 O ARG B 23 ? O ARG B 902 BA 2 3 N ILE B 24 ? N ILE B 903 O TYR B 67 ? O TYR B 946 BB 1 2 N ALA B 62 ? N ALA B 941 O TYR B 43 ? O TYR B 922 BB 2 3 N LYS B 48 ? N LYS B 927 O GLU B 79 ? O GLU B 958 BB 3 4 N LYS B 86 ? N LYS B 965 O ARG B 89 ? O ARG B 968 BC 1 2 N ALA B 62 ? N ALA B 941 O TYR B 43 ? O TYR B 922 BC 2 3 N LYS B 48 ? N LYS B 927 O GLU B 79 ? O GLU B 958 BC 3 4 N PHE B 80 ? N PHE B 959 O ALA B 97 ? O ALA B 976 BD 1 2 N ARG B 89 ? N ARG B 968 O LYS B 86 ? O LYS B 965 BE 1 2 O LYS B 118 ? O LYS B 997 N LYS B 121 ? N LYS B 1000 BE 2 3 N VAL B 127 ? N VAL B 1006 O HIS B 169 ? O HIS B 1048 BF 1 2 N VAL B 162 ? N VAL B 1041 O TYR B 142 ? O TYR B 1021 BF 2 3 N SER B 147 ? N SER B 1026 O TYR B 181 ? O TYR B 1060 BF 3 4 N ASN B 188 ? N ASN B 1067 O GLY B 191 ? O GLY B 1070 BG 1 2 N VAL B 162 ? N VAL B 1041 O TYR B 142 ? O TYR B 1021 BG 2 3 N SER B 147 ? N SER B 1026 O TYR B 181 ? O TYR B 1060 BG 3 4 N PHE B 182 ? N PHE B 1061 O VAL B 199 ? O VAL B 1078 BH 1 2 N GLY B 193 ? N GLY B 1072 O ALA B 186 ? O ALA B 1065 CA 1 2 N SER C 15 ? N SER C 894 O ARG C 23 ? O ARG C 902 CA 2 3 N ILE C 24 ? N ILE C 903 O TYR C 67 ? O TYR C 946 CB 1 2 N ALA C 62 ? N ALA C 941 O TYR C 43 ? O TYR C 922 CB 2 3 N LYS C 48 ? N LYS C 927 O GLU C 79 ? O GLU C 958 CB 3 4 N LYS C 86 ? N LYS C 965 O ARG C 89 ? O ARG C 968 CC 1 2 N ALA C 62 ? N ALA C 941 O TYR C 43 ? O TYR C 922 CC 2 3 N LYS C 48 ? N LYS C 927 O GLU C 79 ? O GLU C 958 CC 3 4 N PHE C 80 ? N PHE C 959 O ALA C 97 ? O ALA C 976 CD 1 2 N ARG C 89 ? N ARG C 968 O LYS C 86 ? O LYS C 965 CE 1 2 O LYS C 118 ? O LYS C 997 N LYS C 121 ? N LYS C 1000 CE 2 3 N VAL C 127 ? N VAL C 1006 O HIS C 169 ? O HIS C 1048 CF 1 2 N VAL C 162 ? N VAL C 1041 O TYR C 142 ? O TYR C 1021 CF 2 3 N SER C 147 ? N SER C 1026 O TYR C 181 ? O TYR C 1060 CF 3 4 N ASN C 188 ? N ASN C 1067 O GLY C 191 ? O GLY C 1070 CG 1 2 N VAL C 162 ? N VAL C 1041 O TYR C 142 ? O TYR C 1021 CG 2 3 N SER C 147 ? N SER C 1026 O TYR C 181 ? O TYR C 1060 CG 3 4 N PHE C 182 ? N PHE C 1061 O VAL C 199 ? O VAL C 1078 CH 1 2 N GLY C 193 ? N GLY C 1072 O ALA C 186 ? O ALA C 1065 DA 1 2 N SER D 15 ? N SER D 894 O ARG D 23 ? O ARG D 902 DA 2 3 N ILE D 24 ? N ILE D 903 O TYR D 67 ? O TYR D 946 DB 1 2 N ALA D 62 ? N ALA D 941 O TYR D 43 ? O TYR D 922 DB 2 3 N LYS D 48 ? N LYS D 927 O GLU D 79 ? O GLU D 958 DB 3 4 N LYS D 86 ? N LYS D 965 O ARG D 89 ? O ARG D 968 DC 1 2 N ALA D 62 ? N ALA D 941 O TYR D 43 ? O TYR D 922 DC 2 3 N LYS D 48 ? N LYS D 927 O GLU D 79 ? O GLU D 958 DC 3 4 N PHE D 80 ? N PHE D 959 O ALA D 97 ? O ALA D 976 DD 1 2 N ARG D 89 ? N ARG D 968 O LYS D 86 ? O LYS D 965 DE 1 2 O LYS D 118 ? O LYS D 997 N LYS D 121 ? N LYS D 1000 DE 2 3 N VAL D 127 ? N VAL D 1006 O HIS D 169 ? O HIS D 1048 DF 1 2 N VAL D 162 ? N VAL D 1041 O TYR D 142 ? O TYR D 1021 DF 2 3 N SER D 147 ? N SER D 1026 O TYR D 181 ? O TYR D 1060 DF 3 4 N ASN D 188 ? N ASN D 1067 O GLY D 191 ? O GLY D 1070 DG 1 2 N VAL D 162 ? N VAL D 1041 O TYR D 142 ? O TYR D 1021 DG 2 3 N SER D 147 ? N SER D 1026 O TYR D 181 ? O TYR D 1060 DG 3 4 N PHE D 182 ? N PHE D 1061 O VAL D 199 ? O VAL D 1078 DH 1 2 N GLY D 193 ? N GLY D 1072 O ALA D 186 ? O ALA D 1065 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 4 'Binding site for Mono-Saccharide NAG A2084 bound to ASN A 940' AC2 Software ? ? ? ? 3 'Binding site for Mono-Saccharide NAG B2084 bound to ASN B 940' AC3 Software ? ? ? ? 3 'Binding site for Mono-Saccharide NAG C2084 bound to ASN C 940' AC4 Software ? ? ? ? 4 'Binding site for Mono-Saccharide NAG D2086 bound to ASN D 940' # 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 4 TYR A 42 ? TYR A 921 . ? 1_555 ? 2 AC1 4 ASN A 59 ? ASN A 938 . ? 1_555 ? 3 AC1 4 ASN A 61 ? ASN A 940 . ? 1_555 ? 4 AC1 4 NAG H . ? NAG D 2086 . ? 1_555 ? 5 AC2 3 TYR B 42 ? TYR B 921 . ? 1_555 ? 6 AC2 3 ASN B 59 ? ASN B 938 . ? 1_555 ? 7 AC2 3 ASN B 61 ? ASN B 940 . ? 1_555 ? 8 AC3 3 TYR C 42 ? TYR C 921 . ? 1_555 ? 9 AC3 3 ASN C 59 ? ASN C 938 . ? 1_555 ? 10 AC3 3 ASN C 61 ? ASN C 940 . ? 1_555 ? 11 AC4 4 NAG E . ? NAG A 2084 . ? 1_555 ? 12 AC4 4 TYR D 42 ? TYR D 921 . ? 1_555 ? 13 AC4 4 ASN D 59 ? ASN D 938 . ? 1_555 ? 14 AC4 4 ASN D 61 ? ASN D 940 . ? 1_555 ? # _database_PDB_matrix.entry_id 4BQB _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 4BQB _atom_sites.fract_transf_matrix[1][1] 0.016979 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.005000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.010268 _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] 0.011413 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C 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 5 ? -26.700 -20.163 27.843 1.00 138.28 ? 884 PRO A N 1 ATOM 2 C CA . PRO A 1 5 ? -25.819 -19.087 27.348 1.00 130.59 ? 884 PRO A CA 1 ATOM 3 C C . PRO A 1 5 ? -25.436 -18.077 28.430 1.00 126.94 ? 884 PRO A C 1 ATOM 4 O O . PRO A 1 5 ? -26.294 -17.579 29.167 1.00 127.24 ? 884 PRO A O 1 ATOM 5 C CB . PRO A 1 5 ? -26.630 -18.450 26.216 1.00 132.82 ? 884 PRO A CB 1 ATOM 6 C CG . PRO A 1 5 ? -28.069 -18.723 26.580 1.00 143.97 ? 884 PRO A CG 1 ATOM 7 C CD . PRO A 1 5 ? -28.120 -19.916 27.519 1.00 143.90 ? 884 PRO A CD 1 ATOM 8 N N . MET A 1 6 ? -24.134 -17.793 28.533 1.00 116.45 ? 885 MET A N 1 ATOM 9 C CA . MET A 1 6 ? -23.621 -16.846 29.514 1.00 110.69 ? 885 MET A CA 1 ATOM 10 C C . MET A 1 6 ? -23.910 -15.424 29.068 1.00 110.04 ? 885 MET A C 1 ATOM 11 O O . MET A 1 6 ? -23.993 -15.154 27.868 1.00 108.05 ? 885 MET A O 1 ATOM 12 C CB . MET A 1 6 ? -22.118 -17.045 29.748 1.00 109.56 ? 885 MET A CB 1 ATOM 13 C CG . MET A 1 6 ? -21.793 -18.271 30.558 1.00 116.87 ? 885 MET A CG 1 ATOM 14 S SD . MET A 1 6 ? -20.057 -18.368 31.068 1.00 117.58 ? 885 MET A SD 1 ATOM 15 C CE . MET A 1 6 ? -20.043 -17.149 32.417 1.00 110.96 ? 885 MET A CE 1 ATOM 16 N N . MET A 1 7 ? -24.078 -14.519 30.038 1.00 105.38 ? 886 MET A N 1 ATOM 17 C CA . MET A 1 7 ? -24.335 -13.111 29.788 1.00 101.66 ? 886 MET A CA 1 ATOM 18 C C . MET A 1 7 ? -23.032 -12.438 29.337 1.00 99.26 ? 886 MET A C 1 ATOM 19 O O . MET A 1 7 ? -22.015 -12.536 30.047 1.00 96.55 ? 886 MET A O 1 ATOM 20 C CB . MET A 1 7 ? -24.833 -12.443 31.063 1.00 104.74 ? 886 MET A CB 1 ATOM 21 C CG . MET A 1 7 ? -26.313 -12.357 31.171 1.00 113.55 ? 886 MET A CG 1 ATOM 22 S SD . MET A 1 7 ? -26.680 -11.009 32.327 1.00 117.43 ? 886 MET A SD 1 ATOM 23 C CE . MET A 1 7 ? -26.284 -9.556 31.287 1.00 108.27 ? 886 MET A CE 1 ATOM 24 N N . PRO A 1 8 ? -23.024 -11.755 28.165 1.00 92.80 ? 887 PRO A N 1 ATOM 25 C CA . PRO A 1 8 ? -21.779 -11.107 27.721 1.00 87.42 ? 887 PRO A CA 1 ATOM 26 C C . PRO A 1 8 ? -21.393 -9.925 28.613 1.00 86.31 ? 887 PRO A C 1 ATOM 27 O O . PRO A 1 8 ? -22.276 -9.295 29.215 1.00 86.11 ? 887 PRO A O 1 ATOM 28 C CB . PRO A 1 8 ? -22.090 -10.677 26.274 1.00 88.40 ? 887 PRO A CB 1 ATOM 29 C CG . PRO A 1 8 ? -23.565 -10.517 26.235 1.00 95.99 ? 887 PRO A CG 1 ATOM 30 C CD . PRO A 1 8 ? -24.123 -11.536 27.200 1.00 96.13 ? 887 PRO A CD 1 ATOM 31 N N . PRO A 1 9 ? -20.085 -9.605 28.719 1.00 79.58 ? 888 PRO A N 1 ATOM 32 C CA . PRO A 1 9 ? -19.679 -8.435 29.523 1.00 76.26 ? 888 PRO A CA 1 ATOM 33 C C . PRO A 1 9 ? -20.315 -7.118 29.072 1.00 76.18 ? 888 PRO A C 1 ATOM 34 O O . PRO A 1 9 ? -20.782 -7.006 27.924 1.00 75.91 ? 888 PRO A O 1 ATOM 35 C CB . PRO A 1 9 ? -18.151 -8.421 29.362 1.00 74.96 ? 888 PRO A CB 1 ATOM 36 C CG . PRO A 1 9 ? -17.796 -9.838 29.048 1.00 81.65 ? 888 PRO A CG 1 ATOM 37 C CD . PRO A 1 9 ? -18.905 -10.281 28.142 1.00 79.74 ? 888 PRO A CD 1 ATOM 38 N N . VAL A 1 10 ? -20.388 -6.145 29.998 1.00 70.51 ? 889 VAL A N 1 ATOM 39 C CA . VAL A 1 10 ? -20.980 -4.808 29.752 1.00 70.25 ? 889 VAL A CA 1 ATOM 40 C C . VAL A 1 10 ? -19.995 -3.708 30.156 1.00 73.22 ? 889 VAL A C 1 ATOM 41 O O . VAL A 1 10 ? -18.967 -4.014 30.750 1.00 74.17 ? 889 VAL A O 1 ATOM 42 C CB . VAL A 1 10 ? -22.363 -4.606 30.469 1.00 78.38 ? 889 VAL A CB 1 ATOM 43 C CG1 . VAL A 1 10 ? -23.463 -5.457 29.839 1.00 82.16 ? 889 VAL A CG1 1 ATOM 44 C CG2 . VAL A 1 10 ? -22.282 -4.883 31.976 1.00 80.08 ? 889 VAL A CG2 1 ATOM 45 N N . GLY A 1 11 ? -20.335 -2.448 29.872 1.00 67.44 ? 890 GLY A N 1 ATOM 46 C CA . GLY A 1 11 ? -19.568 -1.265 30.248 1.00 63.44 ? 890 GLY A CA 1 ATOM 47 C C . GLY A 1 11 ? -18.130 -1.301 29.811 1.00 65.18 ? 890 GLY A C 1 ATOM 48 O O . GLY A 1 11 ? -17.228 -0.913 30.569 1.00 66.18 ? 890 GLY A O 1 ATOM 49 N N . VAL A 1 12 ? -17.909 -1.798 28.587 1.00 59.50 ? 891 VAL A N 1 ATOM 50 C CA . VAL A 1 12 ? -16.573 -1.904 27.978 1.00 56.01 ? 891 VAL A CA 1 ATOM 51 C C . VAL A 1 12 ? -16.014 -0.505 27.657 1.00 61.66 ? 891 VAL A C 1 ATOM 52 O O . VAL A 1 12 ? -16.653 0.279 26.948 1.00 62.39 ? 891 VAL A O 1 ATOM 53 C CB . VAL A 1 12 ? -16.538 -2.857 26.754 1.00 55.69 ? 891 VAL A CB 1 ATOM 54 C CG1 . VAL A 1 12 ? -15.100 -3.117 26.299 1.00 52.48 ? 891 VAL A CG1 1 ATOM 55 C CG2 . VAL A 1 12 ? -17.250 -4.159 27.067 1.00 57.36 ? 891 VAL A CG2 1 ATOM 56 N N . GLN A 1 13 ? -14.829 -0.200 28.181 1.00 58.29 ? 892 GLN A N 1 ATOM 57 C CA . GLN A 1 13 ? -14.193 1.091 27.936 1.00 55.98 ? 892 GLN A CA 1 ATOM 58 C C . GLN A 1 13 ? -12.751 0.935 27.546 1.00 60.80 ? 892 GLN A C 1 ATOM 59 O O . GLN A 1 13 ? -12.113 -0.036 27.920 1.00 62.56 ? 892 GLN A O 1 ATOM 60 C CB . GLN A 1 13 ? -14.304 2.011 29.151 1.00 56.86 ? 892 GLN A CB 1 ATOM 61 C CG . GLN A 1 13 ? -15.698 2.563 29.335 1.00 51.48 ? 892 GLN A CG 1 ATOM 62 C CD . GLN A 1 13 ? -15.678 3.948 29.900 1.00 62.35 ? 892 GLN A CD 1 ATOM 63 O OE1 . GLN A 1 13 ? -15.832 4.136 31.111 1.00 59.71 ? 892 GLN A OE1 1 ATOM 64 N N . ALA A 1 14 ? -12.233 1.913 26.807 1.00 56.68 ? 893 ALA A N 1 ATOM 65 C CA . ALA A 1 14 ? -10.857 1.969 26.374 1.00 53.90 ? 893 ALA A CA 1 ATOM 66 C C . ALA A 1 14 ? -10.218 3.198 27.017 1.00 60.39 ? 893 ALA A C 1 ATOM 67 O O . ALA A 1 14 ? -10.827 4.262 27.048 1.00 59.68 ? 893 ALA A O 1 ATOM 68 C CB . ALA A 1 14 ? -10.784 2.033 24.860 1.00 52.33 ? 893 ALA A CB 1 ATOM 69 N N . SER A 1 15 ? -9.028 3.017 27.613 1.00 59.21 ? 894 SER A N 1 ATOM 70 C CA . SER A 1 15 ? -8.260 4.090 28.216 1.00 58.86 ? 894 SER A CA 1 ATOM 71 C C . SER A 1 15 ? -6.943 4.128 27.476 1.00 58.09 ? 894 SER A C 1 ATOM 72 O O . SER A 1 15 ? -6.224 3.139 27.473 1.00 61.80 ? 894 SER A O 1 ATOM 73 C CB . SER A 1 15 ? -8.042 3.837 29.708 1.00 66.08 ? 894 SER A CB 1 ATOM 74 O OG . SER A 1 15 ? -7.487 4.982 30.342 1.00 71.99 ? 894 SER A OG 1 ATOM 75 N N . ILE A 1 16 ? -6.651 5.238 26.813 1.00 48.04 ? 895 ILE A N 1 ATOM 76 C CA . ILE A 1 16 ? -5.414 5.399 26.044 1.00 47.04 ? 895 ILE A CA 1 ATOM 77 C C . ILE A 1 16 ? -4.245 5.765 26.958 1.00 56.45 ? 895 ILE A C 1 ATOM 78 O O . ILE A 1 16 ? -4.291 6.756 27.705 1.00 59.00 ? 895 ILE A O 1 ATOM 79 C CB . ILE A 1 16 ? -5.542 6.362 24.832 1.00 47.02 ? 895 ILE A CB 1 ATOM 80 C CG1 . ILE A 1 16 ? -6.950 6.314 24.162 1.00 44.28 ? 895 ILE A CG1 1 ATOM 81 C CG2 . ILE A 1 16 ? -4.436 6.129 23.834 1.00 48.42 ? 895 ILE A CG2 1 ATOM 82 C CD1 . ILE A 1 16 ? -7.473 4.945 23.670 1.00 45.03 ? 895 ILE A CD1 1 ATOM 83 N N . LEU A 1 17 ? -3.200 4.955 26.888 1.00 53.96 ? 896 LEU A N 1 ATOM 84 C CA . LEU A 1 17 ? -2.029 5.116 27.735 1.00 56.85 ? 896 LEU A CA 1 ATOM 85 C C . LEU A 1 17 ? -0.792 5.588 27.005 1.00 64.56 ? 896 LEU A C 1 ATOM 86 O O . LEU A 1 17 ? -0.033 6.371 27.554 1.00 67.14 ? 896 LEU A O 1 ATOM 87 C CB . LEU A 1 17 ? -1.746 3.829 28.543 1.00 57.84 ? 896 LEU A CB 1 ATOM 88 C CG . LEU A 1 17 ? -2.874 3.368 29.444 1.00 60.31 ? 896 LEU A CG 1 ATOM 89 C CD1 . LEU A 1 17 ? -2.568 2.078 30.053 1.00 61.85 ? 896 LEU A CD1 1 ATOM 90 C CD2 . LEU A 1 17 ? -3.150 4.339 30.518 1.00 63.62 ? 896 LEU A CD2 1 ATOM 91 N N . SER A 1 18 ? -0.571 5.101 25.796 1.00 60.82 ? 897 SER A N 1 ATOM 92 C CA . SER A 1 18 ? 0.585 5.494 24.994 1.00 61.45 ? 897 SER A CA 1 ATOM 93 C C . SER A 1 18 ? 0.241 5.374 23.501 1.00 62.45 ? 897 SER A C 1 ATOM 94 O O . SER A 1 18 ? -0.936 5.228 23.130 1.00 60.62 ? 897 SER A O 1 ATOM 95 C CB . SER A 1 18 ? 1.795 4.634 25.348 1.00 66.01 ? 897 SER A CB 1 ATOM 96 O OG . SER A 1 18 ? 1.661 3.321 24.835 1.00 67.06 ? 897 SER A OG 1 ATOM 97 N N . HIS A 1 19 ? 1.271 5.439 22.658 1.00 58.11 ? 898 HIS A N 1 ATOM 98 C CA . HIS A 1 19 ? 1.168 5.253 21.211 1.00 55.65 ? 898 HIS A CA 1 ATOM 99 C C . HIS A 1 19 ? 1.010 3.740 20.891 1.00 59.78 ? 898 HIS A C 1 ATOM 100 O O . HIS A 1 19 ? 0.707 3.389 19.767 1.00 58.52 ? 898 HIS A O 1 ATOM 101 C CB . HIS A 1 19 ? 2.435 5.799 20.557 1.00 57.88 ? 898 HIS A CB 1 ATOM 102 C CG . HIS A 1 19 ? 3.666 5.131 21.068 1.00 64.10 ? 898 HIS A CG 1 ATOM 103 N ND1 . HIS A 1 19 ? 4.333 5.612 22.171 1.00 67.15 ? 898 HIS A ND1 1 ATOM 104 C CD2 . HIS A 1 19 ? 4.267 3.987 20.654 1.00 67.11 ? 898 HIS A CD2 1 ATOM 105 C CE1 . HIS A 1 19 ? 5.340 4.779 22.358 1.00 69.55 ? 898 HIS A CE1 1 ATOM 106 N NE2 . HIS A 1 19 ? 5.327 3.781 21.478 1.00 69.92 ? 898 HIS A NE2 1 ATOM 107 N N . ASP A 1 20 ? 1.213 2.853 21.879 1.00 59.79 ? 899 ASP A N 1 ATOM 108 C CA . ASP A 1 20 ? 1.126 1.413 21.661 1.00 60.99 ? 899 ASP A CA 1 ATOM 109 C C . ASP A 1 20 ? 0.308 0.680 22.722 1.00 66.93 ? 899 ASP A C 1 ATOM 110 O O . ASP A 1 20 ? 0.156 -0.549 22.643 1.00 68.25 ? 899 ASP A O 1 ATOM 111 C CB . ASP A 1 20 ? 2.538 0.823 21.530 1.00 66.35 ? 899 ASP A CB 1 ATOM 112 C CG . ASP A 1 20 ? 3.349 0.683 22.809 1.00 81.94 ? 899 ASP A CG 1 ATOM 113 O OD1 . ASP A 1 20 ? 3.477 1.681 23.544 1.00 83.55 ? 899 ASP A OD1 1 ATOM 114 O OD2 . ASP A 1 20 ? 3.934 -0.400 23.022 1.00 91.30 ? 899 ASP A OD2 1 ATOM 115 N N . THR A 1 21 ? -0.224 1.426 23.703 1.00 62.77 ? 900 THR A N 1 ATOM 116 C CA . THR A 1 21 ? -0.977 0.828 24.805 1.00 62.83 ? 900 THR A CA 1 ATOM 117 C C . THR A 1 21 ? -2.352 1.452 25.061 1.00 62.22 ? 900 THR A C 1 ATOM 118 O O . THR A 1 21 ? -2.477 2.671 25.176 1.00 60.08 ? 900 THR A O 1 ATOM 119 C CB . THR A 1 21 ? -0.106 0.724 26.075 1.00 79.87 ? 900 THR A CB 1 ATOM 120 O OG1 . THR A 1 21 ? 1.072 -0.024 25.765 1.00 83.85 ? 900 THR A OG1 1 ATOM 121 C CG2 . THR A 1 21 ? -0.838 0.052 27.255 1.00 82.33 ? 900 THR A CG2 1 ATOM 122 N N . ILE A 1 22 ? -3.378 0.577 25.176 1.00 57.17 ? 901 ILE A N 1 ATOM 123 C CA . ILE A 1 22 ? -4.756 0.888 25.521 1.00 53.29 ? 901 ILE A CA 1 ATOM 124 C C . ILE A 1 22 ? -5.208 -0.111 26.614 1.00 61.08 ? 901 ILE A C 1 ATOM 125 O O . ILE A 1 22 ? -5.083 -1.333 26.433 1.00 61.66 ? 901 ILE A O 1 ATOM 126 C CB . ILE A 1 22 ? -5.699 0.878 24.292 1.00 53.62 ? 901 ILE A CB 1 ATOM 127 C CG1 . ILE A 1 22 ? -5.232 1.926 23.237 1.00 52.73 ? 901 ILE A CG1 1 ATOM 128 C CG2 . ILE A 1 22 ? -7.185 1.128 24.716 1.00 53.39 ? 901 ILE A CG2 1 ATOM 129 C CD1 . ILE A 1 22 ? -5.988 1.914 21.911 1.00 57.78 ? 901 ILE A CD1 1 ATOM 130 N N . ARG A 1 23 ? -5.741 0.413 27.743 1.00 58.97 ? 902 ARG A N 1 ATOM 131 C CA . ARG A 1 23 ? -6.335 -0.427 28.774 1.00 60.60 ? 902 ARG A CA 1 ATOM 132 C C . ARG A 1 23 ? -7.824 -0.633 28.486 1.00 62.55 ? 902 ARG A C 1 ATOM 133 O O . ARG A 1 23 ? -8.583 0.327 28.352 1.00 58.55 ? 902 ARG A O 1 ATOM 134 C CB . ARG A 1 23 ? -6.213 0.176 30.175 1.00 62.57 ? 902 ARG A CB 1 ATOM 135 C CG . ARG A 1 23 ? -5.733 -0.849 31.174 1.00 72.00 ? 902 ARG A CG 1 ATOM 136 C CD . ARG A 1 23 ? -6.540 -1.397 32.281 1.00 78.42 ? 902 ARG A CD 1 ATOM 137 N NE . ARG A 1 23 ? -6.897 -0.410 33.280 1.00 88.35 ? 902 ARG A NE 1 ATOM 138 C CZ . ARG A 1 23 ? -7.481 -0.723 34.430 1.00 107.83 ? 902 ARG A CZ 1 ATOM 139 N NH1 . ARG A 1 23 ? -7.700 -1.988 34.743 1.00 91.05 ? 902 ARG A NH1 1 ATOM 140 N NH2 . ARG A 1 23 ? -7.882 0.227 35.256 1.00 101.39 ? 902 ARG A NH2 1 ATOM 141 N N . ILE A 1 24 ? -8.244 -1.888 28.464 1.00 61.38 ? 903 ILE A N 1 ATOM 142 C CA . ILE A 1 24 ? -9.655 -2.242 28.300 1.00 58.89 ? 903 ILE A CA 1 ATOM 143 C C . ILE A 1 24 ? -10.242 -2.653 29.618 1.00 59.92 ? 903 ILE A C 1 ATOM 144 O O . ILE A 1 24 ? -9.629 -3.413 30.340 1.00 60.89 ? 903 ILE A O 1 ATOM 145 C CB . ILE A 1 24 ? -9.863 -3.313 27.207 1.00 61.97 ? 903 ILE A CB 1 ATOM 146 C CG1 . ILE A 1 24 ? -9.206 -2.876 25.876 1.00 60.57 ? 903 ILE A CG1 1 ATOM 147 C CG2 . ILE A 1 24 ? -11.351 -3.683 27.041 1.00 62.86 ? 903 ILE A CG2 1 ATOM 148 C CD1 . ILE A 1 24 ? -9.603 -1.502 25.379 1.00 64.75 ? 903 ILE A CD1 1 ATOM 149 N N . THR A 1 25 ? -11.393 -2.103 29.956 1.00 57.52 ? 904 THR A N 1 ATOM 150 C CA . THR A 1 25 ? -12.116 -2.445 31.189 1.00 60.30 ? 904 THR A CA 1 ATOM 151 C C . THR A 1 25 ? -13.534 -2.796 30.852 1.00 61.69 ? 904 THR A C 1 ATOM 152 O O . THR A 1 25 ? -14.072 -2.303 29.849 1.00 57.86 ? 904 THR A O 1 ATOM 153 C CB . THR A 1 25 ? -12.084 -1.306 32.210 1.00 71.88 ? 904 THR A CB 1 ATOM 154 O OG1 . THR A 1 25 ? -12.713 -0.158 31.644 1.00 76.87 ? 904 THR A OG1 1 ATOM 155 C CG2 . THR A 1 25 ? -10.669 -0.970 32.670 1.00 66.28 ? 904 THR A CG2 1 ATOM 156 N N . TRP A 1 26 ? -14.139 -3.652 31.686 1.00 60.59 ? 905 TRP A N 1 ATOM 157 C CA . TRP A 1 26 ? -15.520 -4.079 31.529 1.00 61.59 ? 905 TRP A CA 1 ATOM 158 C C . TRP A 1 26 ? -16.055 -4.518 32.869 1.00 65.92 ? 905 TRP A C 1 ATOM 159 O O . TRP A 1 26 ? -15.324 -4.534 33.860 1.00 64.86 ? 905 TRP A O 1 ATOM 160 C CB . TRP A 1 26 ? -15.637 -5.223 30.503 1.00 61.70 ? 905 TRP A CB 1 ATOM 161 C CG . TRP A 1 26 ? -14.840 -6.434 30.880 1.00 65.24 ? 905 TRP A CG 1 ATOM 162 C CD1 . TRP A 1 26 ? -15.258 -7.503 31.617 1.00 71.11 ? 905 TRP A CD1 1 ATOM 163 C CD2 . TRP A 1 26 ? -13.453 -6.664 30.579 1.00 64.52 ? 905 TRP A CD2 1 ATOM 164 N NE1 . TRP A 1 26 ? -14.218 -8.392 31.793 1.00 72.13 ? 905 TRP A NE1 1 ATOM 165 C CE2 . TRP A 1 26 ? -13.101 -7.907 31.161 1.00 71.00 ? 905 TRP A CE2 1 ATOM 166 C CE3 . TRP A 1 26 ? -12.482 -5.953 29.836 1.00 63.10 ? 905 TRP A CE3 1 ATOM 167 C CZ2 . TRP A 1 26 ? -11.826 -8.456 31.033 1.00 70.75 ? 905 TRP A CZ2 1 ATOM 168 C CZ3 . TRP A 1 26 ? -11.217 -6.499 29.716 1.00 65.55 ? 905 TRP A CZ3 1 ATOM 169 C CH2 . TRP A 1 26 ? -10.893 -7.729 30.324 1.00 69.47 ? 905 TRP A CH2 1 ATOM 170 N N . ALA A 1 27 ? -17.353 -4.863 32.883 1.00 64.70 ? 906 ALA A N 1 ATOM 171 C CA . ALA A 1 27 ? -18.128 -5.389 34.003 1.00 66.78 ? 906 ALA A CA 1 ATOM 172 C C . ALA A 1 27 ? -18.708 -6.720 33.572 1.00 73.62 ? 906 ALA A C 1 ATOM 173 O O . ALA A 1 27 ? -18.966 -6.904 32.382 1.00 72.71 ? 906 ALA A O 1 ATOM 174 C CB . ALA A 1 27 ? -19.246 -4.423 34.368 1.00 67.28 ? 906 ALA A CB 1 ATOM 175 N N . ASP A 1 28 ? -18.876 -7.658 34.527 1.00 74.18 ? 907 ASP A N 1 ATOM 176 C CA . ASP A 1 28 ? -19.461 -8.964 34.274 1.00 77.58 ? 907 ASP A CA 1 ATOM 177 C C . ASP A 1 28 ? -20.673 -9.060 35.160 1.00 89.19 ? 907 ASP A C 1 ATOM 178 O O . ASP A 1 28 ? -20.543 -9.042 36.387 1.00 91.90 ? 907 ASP A O 1 ATOM 179 C CB . ASP A 1 28 ? -18.464 -10.096 34.556 1.00 80.92 ? 907 ASP A CB 1 ATOM 180 C CG . ASP A 1 28 ? -18.926 -11.511 34.218 1.00 99.65 ? 907 ASP A CG 1 ATOM 181 O OD1 . ASP A 1 28 ? -20.080 -11.671 33.736 1.00 102.14 ? 907 ASP A OD1 1 ATOM 182 O OD2 . ASP A 1 28 ? -18.133 -12.458 34.426 1.00 107.42 ? 907 ASP A OD2 1 ATOM 183 N N . ASN A 1 29 ? -21.866 -9.111 34.543 1.00 90.00 ? 908 ASN A N 1 ATOM 184 C CA . ASN A 1 29 ? -23.121 -9.170 35.316 1.00 95.32 ? 908 ASN A CA 1 ATOM 185 C C . ASN A 1 29 ? -23.337 -10.457 36.092 1.00 105.08 ? 908 ASN A C 1 ATOM 186 O O . ASN A 1 29 ? -23.906 -10.398 37.173 1.00 106.35 ? 908 ASN A O 1 ATOM 187 C CB . ASN A 1 29 ? -24.339 -8.767 34.492 1.00 96.09 ? 908 ASN A CB 1 ATOM 188 C CG . ASN A 1 29 ? -24.391 -7.297 34.188 1.00 114.47 ? 908 ASN A CG 1 ATOM 189 O OD1 . ASN A 1 29 ? -23.764 -6.486 34.852 1.00 93.36 ? 908 ASN A OD1 1 ATOM 190 N ND2 . ASN A 1 29 ? -25.165 -6.919 33.194 1.00 117.43 ? 908 ASN A ND2 1 ATOM 191 N N . SER A 1 30 ? -22.798 -11.592 35.580 1.00 105.79 ? 909 SER A N 1 ATOM 192 C CA . SER A 1 30 ? -22.843 -12.927 36.194 1.00 111.39 ? 909 SER A CA 1 ATOM 193 C C . SER A 1 30 ? -21.954 -13.043 37.446 1.00 115.75 ? 909 SER A C 1 ATOM 194 O O . SER A 1 30 ? -21.711 -14.147 37.932 1.00 118.53 ? 909 SER A O 1 ATOM 195 C CB . SER A 1 30 ? -22.522 -14.026 35.176 1.00 117.45 ? 909 SER A CB 1 ATOM 196 O OG . SER A 1 30 ? -21.761 -13.587 34.059 1.00 123.98 ? 909 SER A OG 1 ATOM 197 N N . LEU A 1 31 ? -21.494 -11.897 37.973 1.00 110.32 ? 910 LEU A N 1 ATOM 198 C CA . LEU A 1 31 ? -20.700 -11.792 39.192 1.00 111.55 ? 910 LEU A CA 1 ATOM 199 C C . LEU A 1 31 ? -21.532 -11.023 40.231 1.00 120.70 ? 910 LEU A C 1 ATOM 200 O O . LEU A 1 31 ? -22.262 -10.104 39.819 1.00 120.81 ? 910 LEU A O 1 ATOM 201 C CB . LEU A 1 31 ? -19.385 -11.028 38.930 1.00 106.59 ? 910 LEU A CB 1 ATOM 202 C CG . LEU A 1 31 ? -18.270 -11.728 38.128 1.00 109.03 ? 910 LEU A CG 1 ATOM 203 C CD1 . LEU A 1 31 ? -17.077 -10.816 37.950 1.00 104.11 ? 910 LEU A CD1 1 ATOM 204 C CD2 . LEU A 1 31 ? -17.785 -12.995 38.821 1.00 116.71 ? 910 LEU A CD2 1 ATOM 205 N N . PRO A 1 32 ? -21.443 -11.353 41.559 1.00 120.50 ? 911 PRO A N 1 ATOM 206 C CA . PRO A 1 32 ? -22.215 -10.581 42.555 1.00 125.53 ? 911 PRO A CA 1 ATOM 207 C C . PRO A 1 32 ? -21.585 -9.213 42.856 1.00 155.74 ? 911 PRO A C 1 ATOM 208 O O . PRO A 1 32 ? -20.468 -8.896 42.426 1.00 106.45 ? 911 PRO A O 1 ATOM 209 C CB . PRO A 1 32 ? -22.227 -11.488 43.795 1.00 132.47 ? 911 PRO A CB 1 ATOM 210 C CG . PRO A 1 32 ? -21.469 -12.760 43.402 1.00 136.44 ? 911 PRO A CG 1 ATOM 211 C CD . PRO A 1 32 ? -20.637 -12.406 42.217 1.00 125.66 ? 911 PRO A CD 1 ATOM 212 N N . THR A 1 38 ? -14.101 -15.467 41.633 1.00 136.24 ? 917 THR A N 1 ATOM 213 C CA . THR A 1 38 ? -13.814 -16.514 42.628 1.00 142.10 ? 917 THR A CA 1 ATOM 214 C C . THR A 1 38 ? -13.759 -17.919 41.986 1.00 148.37 ? 917 THR A C 1 ATOM 215 O O . THR A 1 38 ? -13.159 -18.834 42.551 1.00 152.58 ? 917 THR A O 1 ATOM 216 C CB . THR A 1 38 ? -14.789 -16.432 43.817 1.00 150.58 ? 917 THR A CB 1 ATOM 217 O OG1 . THR A 1 38 ? -16.125 -16.319 43.320 1.00 149.29 ? 917 THR A OG1 1 ATOM 218 C CG2 . THR A 1 38 ? -14.472 -15.273 44.760 1.00 146.17 ? 917 THR A CG2 1 ATOM 219 N N . ASP A 1 39 ? -14.359 -18.067 40.786 1.00 141.98 ? 918 ASP A N 1 ATOM 220 C CA . ASP A 1 39 ? -14.413 -19.322 40.029 1.00 143.74 ? 918 ASP A CA 1 ATOM 221 C C . ASP A 1 39 ? -13.389 -19.441 38.872 1.00 142.98 ? 918 ASP A C 1 ATOM 222 O O . ASP A 1 39 ? -12.488 -18.605 38.743 1.00 140.19 ? 918 ASP A O 1 ATOM 223 C CB . ASP A 1 39 ? -15.861 -19.643 39.569 1.00 146.06 ? 918 ASP A CB 1 ATOM 224 C CG . ASP A 1 39 ? -16.572 -18.598 38.714 1.00 148.16 ? 918 ASP A CG 1 ATOM 225 O OD1 . ASP A 1 39 ? -15.980 -18.140 37.715 1.00 144.88 ? 918 ASP A OD1 1 ATOM 226 O OD2 . ASP A 1 39 ? -17.755 -18.319 38.986 1.00 152.14 ? 918 ASP A OD2 1 ATOM 227 N N . SER A 1 40 ? -13.549 -20.492 38.039 1.00 138.43 ? 919 SER A N 1 ATOM 228 C CA . SER A 1 40 ? -12.703 -20.836 36.896 1.00 135.67 ? 919 SER A CA 1 ATOM 229 C C . SER A 1 40 ? -12.954 -20.007 35.615 1.00 129.89 ? 919 SER A C 1 ATOM 230 O O . SER A 1 40 ? -12.348 -20.308 34.580 1.00 128.18 ? 919 SER A O 1 ATOM 231 C CB . SER A 1 40 ? -12.805 -22.334 36.604 1.00 144.97 ? 919 SER A CB 1 ATOM 232 O OG . SER A 1 40 ? -14.071 -22.706 36.080 1.00 154.88 ? 919 SER A OG 1 ATOM 233 N N . ARG A 1 41 ? -13.824 -18.977 35.674 1.00 120.46 ? 920 ARG A N 1 ATOM 234 C CA . ARG A 1 41 ? -14.095 -18.166 34.485 1.00 114.36 ? 920 ARG A CA 1 ATOM 235 C C . ARG A 1 41 ? -12.891 -17.347 34.018 1.00 114.98 ? 920 ARG A C 1 ATOM 236 O O . ARG A 1 41 ? -12.035 -16.947 34.825 1.00 115.10 ? 920 ARG A O 1 ATOM 237 C CB . ARG A 1 41 ? -15.339 -17.267 34.636 1.00 109.13 ? 920 ARG A CB 1 ATOM 238 C CG . ARG A 1 41 ? -15.096 -15.924 35.359 1.00 107.90 ? 920 ARG A CG 1 ATOM 239 C CD . ARG A 1 41 ? -16.382 -15.167 35.586 1.00 107.21 ? 920 ARG A CD 1 ATOM 240 N NE . ARG A 1 41 ? -17.327 -15.962 36.363 1.00 120.34 ? 920 ARG A NE 1 ATOM 241 C CZ . ARG A 1 41 ? -18.627 -15.715 36.444 1.00 138.74 ? 920 ARG A CZ 1 ATOM 242 N NH1 . ARG A 1 41 ? -19.154 -14.677 35.806 1.00 125.83 ? 920 ARG A NH1 1 ATOM 243 N NH2 . ARG A 1 41 ? -19.411 -16.495 37.175 1.00 130.88 ? 920 ARG A NH2 1 ATOM 244 N N . TYR A 1 42 ? -12.849 -17.094 32.702 1.00 107.80 ? 921 TYR A N 1 ATOM 245 C CA . TYR A 1 42 ? -11.840 -16.267 32.064 1.00 102.48 ? 921 TYR A CA 1 ATOM 246 C C . TYR A 1 42 ? -12.488 -15.459 30.973 1.00 99.32 ? 921 TYR A C 1 ATOM 247 O O . TYR A 1 42 ? -13.476 -15.898 30.367 1.00 98.43 ? 921 TYR A O 1 ATOM 248 C CB . TYR A 1 42 ? -10.648 -17.087 31.537 1.00 105.91 ? 921 TYR A CB 1 ATOM 249 C CG . TYR A 1 42 ? -10.924 -17.955 30.320 1.00 108.59 ? 921 TYR A CG 1 ATOM 250 C CD1 . TYR A 1 42 ? -10.688 -17.478 29.030 1.00 106.87 ? 921 TYR A CD1 1 ATOM 251 C CD2 . TYR A 1 42 ? -11.301 -19.288 30.462 1.00 114.44 ? 921 TYR A CD2 1 ATOM 252 C CE1 . TYR A 1 42 ? -10.872 -18.293 27.911 1.00 110.31 ? 921 TYR A CE1 1 ATOM 253 C CE2 . TYR A 1 42 ? -11.481 -20.113 29.353 1.00 116.32 ? 921 TYR A CE2 1 ATOM 254 C CZ . TYR A 1 42 ? -11.262 -19.613 28.079 1.00 123.35 ? 921 TYR A CZ 1 ATOM 255 O OH . TYR A 1 42 ? -11.465 -20.415 26.984 1.00 128.63 ? 921 TYR A OH 1 ATOM 256 N N . TYR A 1 43 ? -11.918 -14.274 30.721 1.00 91.17 ? 922 TYR A N 1 ATOM 257 C CA . TYR A 1 43 ? -12.385 -13.363 29.690 1.00 85.44 ? 922 TYR A CA 1 ATOM 258 C C . TYR A 1 43 ? -11.450 -13.387 28.549 1.00 86.76 ? 922 TYR A C 1 ATOM 259 O O . TYR A 1 43 ? -10.243 -13.569 28.731 1.00 86.79 ? 922 TYR A O 1 ATOM 260 C CB . TYR A 1 43 ? -12.502 -11.935 30.223 1.00 82.22 ? 922 TYR A CB 1 ATOM 261 C CG . TYR A 1 43 ? -13.336 -11.857 31.473 1.00 84.93 ? 922 TYR A CG 1 ATOM 262 C CD1 . TYR A 1 43 ? -14.728 -11.858 31.408 1.00 87.30 ? 922 TYR A CD1 1 ATOM 263 C CD2 . TYR A 1 43 ? -12.741 -11.827 32.725 1.00 86.84 ? 922 TYR A CD2 1 ATOM 264 C CE1 . TYR A 1 43 ? -15.505 -11.825 32.564 1.00 89.84 ? 922 TYR A CE1 1 ATOM 265 C CE2 . TYR A 1 43 ? -13.506 -11.785 33.884 1.00 89.87 ? 922 TYR A CE2 1 ATOM 266 C CZ . TYR A 1 43 ? -14.889 -11.792 33.799 1.00 97.84 ? 922 TYR A CZ 1 ATOM 267 O OH . TYR A 1 43 ? -15.649 -11.758 34.938 1.00 103.15 ? 922 TYR A OH 1 ATOM 268 N N . THR A 1 44 ? -12.001 -13.191 27.362 1.00 82.04 ? 923 THR A N 1 ATOM 269 C CA . THR A 1 44 ? -11.211 -13.114 26.150 1.00 80.12 ? 923 THR A CA 1 ATOM 270 C C . THR A 1 44 ? -11.441 -11.764 25.541 1.00 78.06 ? 923 THR A C 1 ATOM 271 O O . THR A 1 44 ? -12.580 -11.405 25.256 1.00 76.02 ? 923 THR A O 1 ATOM 272 C CB . THR A 1 44 ? -11.476 -14.299 25.230 1.00 93.99 ? 923 THR A CB 1 ATOM 273 O OG1 . THR A 1 44 ? -11.343 -15.508 25.986 1.00 106.11 ? 923 THR A OG1 1 ATOM 274 C CG2 . THR A 1 44 ? -10.533 -14.325 24.046 1.00 91.48 ? 923 THR A CG2 1 ATOM 275 N N . VAL A 1 45 ? -10.363 -10.990 25.400 1.00 73.28 ? 924 VAL A N 1 ATOM 276 C CA . VAL A 1 45 ? -10.399 -9.649 24.794 1.00 69.74 ? 924 VAL A CA 1 ATOM 277 C C . VAL A 1 45 ? -9.955 -9.796 23.358 1.00 74.97 ? 924 VAL A C 1 ATOM 278 O O . VAL A 1 45 ? -8.960 -10.480 23.113 1.00 77.69 ? 924 VAL A O 1 ATOM 279 C CB . VAL A 1 45 ? -9.497 -8.629 25.551 1.00 70.28 ? 924 VAL A CB 1 ATOM 280 C CG1 . VAL A 1 45 ? -9.600 -7.232 24.947 1.00 65.23 ? 924 VAL A CG1 1 ATOM 281 C CG2 . VAL A 1 45 ? -9.842 -8.601 27.039 1.00 71.19 ? 924 VAL A CG2 1 ATOM 282 N N . ARG A 1 46 ? -10.668 -9.158 22.425 1.00 68.38 ? 925 ARG A N 1 ATOM 283 C CA . ARG A 1 46 ? -10.275 -9.184 21.029 1.00 68.07 ? 925 ARG A CA 1 ATOM 284 C C . ARG A 1 46 ? -10.216 -7.766 20.475 1.00 71.20 ? 925 ARG A C 1 ATOM 285 O O . ARG A 1 46 ? -10.999 -6.898 20.873 1.00 71.12 ? 925 ARG A O 1 ATOM 286 C CB . ARG A 1 46 ? -11.184 -10.096 20.208 1.00 67.64 ? 925 ARG A CB 1 ATOM 287 C CG . ARG A 1 46 ? -12.590 -9.572 20.083 1.00 66.60 ? 925 ARG A CG 1 ATOM 288 C CD . ARG A 1 46 ? -13.339 -10.324 19.050 1.00 65.23 ? 925 ARG A CD 1 ATOM 289 N NE . ARG A 1 46 ? -14.653 -9.729 18.876 1.00 59.75 ? 925 ARG A NE 1 ATOM 290 C CZ . ARG A 1 46 ? -15.535 -10.159 17.984 1.00 81.26 ? 925 ARG A CZ 1 ATOM 291 N NH1 . ARG A 1 46 ? -15.250 -11.200 17.207 1.00 76.53 ? 925 ARG A NH1 1 ATOM 292 N NH2 . ARG A 1 46 ? -16.716 -9.557 17.865 1.00 62.67 ? 925 ARG A NH2 1 ATOM 293 N N . TRP A 1 47 ? -9.292 -7.536 19.551 1.00 65.81 ? 926 TRP A N 1 ATOM 294 C CA . TRP A 1 47 ? -9.106 -6.236 18.941 1.00 61.87 ? 926 TRP A CA 1 ATOM 295 C C . TRP A 1 47 ? -8.567 -6.377 17.541 1.00 66.78 ? 926 TRP A C 1 ATOM 296 O O . TRP A 1 47 ? -7.857 -7.333 17.218 1.00 67.48 ? 926 TRP A O 1 ATOM 297 C CB . TRP A 1 47 ? -8.159 -5.344 19.772 1.00 57.73 ? 926 TRP A CB 1 ATOM 298 C CG . TRP A 1 47 ? -6.750 -5.864 19.876 1.00 58.99 ? 926 TRP A CG 1 ATOM 299 C CD1 . TRP A 1 47 ? -5.682 -5.521 19.099 1.00 61.71 ? 926 TRP A CD1 1 ATOM 300 C CD2 . TRP A 1 47 ? -6.283 -6.865 20.792 1.00 60.25 ? 926 TRP A CD2 1 ATOM 301 N NE1 . TRP A 1 47 ? -4.580 -6.259 19.466 1.00 63.85 ? 926 TRP A NE1 1 ATOM 302 C CE2 . TRP A 1 47 ? -4.919 -7.085 20.510 1.00 66.09 ? 926 TRP A CE2 1 ATOM 303 C CE3 . TRP A 1 47 ? -6.883 -7.575 21.844 1.00 61.99 ? 926 TRP A CE3 1 ATOM 304 C CZ2 . TRP A 1 47 ? -4.140 -7.982 21.250 1.00 68.06 ? 926 TRP A CZ2 1 ATOM 305 C CZ3 . TRP A 1 47 ? -6.119 -8.465 22.571 1.00 66.35 ? 926 TRP A CZ3 1 ATOM 306 C CH2 . TRP A 1 47 ? -4.767 -8.674 22.267 1.00 69.14 ? 926 TRP A CH2 1 ATOM 307 N N . LYS A 1 48 ? -8.893 -5.385 16.726 1.00 63.51 ? 927 LYS A N 1 ATOM 308 C CA . LYS A 1 48 ? -8.501 -5.260 15.338 1.00 65.12 ? 927 LYS A CA 1 ATOM 309 C C . LYS A 1 48 ? -8.556 -3.797 14.975 1.00 70.57 ? 927 LYS A C 1 ATOM 310 O O . LYS A 1 48 ? -9.300 -3.051 15.602 1.00 70.11 ? 927 LYS A O 1 ATOM 311 C CB . LYS A 1 48 ? -9.427 -6.119 14.424 1.00 69.19 ? 927 LYS A CB 1 ATOM 312 C CG . LYS A 1 48 ? -10.804 -5.573 14.128 1.00 59.00 ? 927 LYS A CG 1 ATOM 313 C CD . LYS A 1 48 ? -11.524 -6.402 13.092 1.00 68.11 ? 927 LYS A CD 1 ATOM 314 C CE . LYS A 1 48 ? -12.605 -5.631 12.373 1.00 79.50 ? 927 LYS A CE 1 ATOM 315 N NZ . LYS A 1 48 ? -13.282 -6.520 11.411 1.00 104.29 ? 927 LYS A NZ 1 ATOM 316 N N . THR A 1 49 ? -7.770 -3.376 14.002 1.00 69.81 ? 928 THR A N 1 ATOM 317 C CA . THR A 1 49 ? -7.820 -2.001 13.552 1.00 69.31 ? 928 THR A CA 1 ATOM 318 C C . THR A 1 49 ? -9.079 -1.819 12.734 1.00 77.71 ? 928 THR A C 1 ATOM 319 O O . THR A 1 49 ? -9.439 -2.701 11.966 1.00 78.41 ? 928 THR A O 1 ATOM 320 C CB . THR A 1 49 ? -6.568 -1.605 12.787 1.00 80.60 ? 928 THR A CB 1 ATOM 321 O OG1 . THR A 1 49 ? -6.689 -0.223 12.477 1.00 91.24 ? 928 THR A OG1 1 ATOM 322 C CG2 . THR A 1 49 ? -6.337 -2.441 11.549 1.00 76.75 ? 928 THR A CG2 1 ATOM 323 N N . ASN A 1 50 ? -9.755 -0.680 12.925 1.00 78.86 ? 929 ASN A N 1 ATOM 324 C CA . ASN A 1 50 ? -10.987 -0.276 12.237 1.00 82.32 ? 929 ASN A CA 1 ATOM 325 C C . ASN A 1 50 ? -10.838 -0.343 10.704 1.00 92.83 ? 929 ASN A C 1 ATOM 326 O O . ASN A 1 50 ? -11.755 -0.792 10.041 1.00 94.16 ? 929 ASN A O 1 ATOM 327 C CB . ASN A 1 50 ? -11.358 1.157 12.672 1.00 82.42 ? 929 ASN A CB 1 ATOM 328 C CG . ASN A 1 50 ? -12.849 1.428 12.759 1.00 98.07 ? 929 ASN A CG 1 ATOM 329 O OD1 . ASN A 1 50 ? -13.562 0.801 13.555 1.00 76.99 ? 929 ASN A OD1 1 ATOM 330 N ND2 . ASN A 1 50 ? -13.361 2.386 11.959 1.00 89.53 ? 929 ASN A ND2 1 ATOM 331 N N . ILE A 1 51 ? -9.673 0.099 10.164 1.00 94.13 ? 930 ILE A N 1 ATOM 332 C CA . ILE A 1 51 ? -9.292 0.164 8.750 1.00 98.46 ? 930 ILE A CA 1 ATOM 333 C C . ILE A 1 51 ? -7.844 -0.394 8.557 1.00 106.48 ? 930 ILE A C 1 ATOM 334 O O . ILE A 1 51 ? -6.930 0.041 9.271 1.00 104.91 ? 930 ILE A O 1 ATOM 335 C CB . ILE A 1 51 ? -9.435 1.632 8.227 1.00 102.24 ? 930 ILE A CB 1 ATOM 336 C CG1 . ILE A 1 51 ? -10.906 2.087 8.229 1.00 104.00 ? 930 ILE A CG1 1 ATOM 337 C CG2 . ILE A 1 51 ? -8.848 1.819 6.829 1.00 107.45 ? 930 ILE A CG2 1 ATOM 338 C CD1 . ILE A 1 51 ? -11.274 3.035 9.307 1.00 113.38 ? 930 ILE A CD1 1 ATOM 339 N N . PRO A 1 52 ? -7.587 -1.305 7.581 1.00 108.13 ? 931 PRO A N 1 ATOM 340 C CA . PRO A 1 52 ? -8.540 -1.915 6.623 1.00 112.14 ? 931 PRO A CA 1 ATOM 341 C C . PRO A 1 52 ? -9.661 -2.698 7.312 1.00 118.80 ? 931 PRO A C 1 ATOM 342 O O . PRO A 1 52 ? -9.474 -3.200 8.428 1.00 117.03 ? 931 PRO A O 1 ATOM 343 C CB . PRO A 1 52 ? -7.645 -2.780 5.725 1.00 117.05 ? 931 PRO A CB 1 ATOM 344 C CG . PRO A 1 52 ? -6.418 -3.050 6.549 1.00 119.83 ? 931 PRO A CG 1 ATOM 345 C CD . PRO A 1 52 ? -6.219 -1.820 7.389 1.00 111.01 ? 931 PRO A CD 1 ATOM 346 N N . ALA A 1 53 ? -10.842 -2.767 6.668 1.00 118.64 ? 932 ALA A N 1 ATOM 347 C CA . ALA A 1 53 ? -12.007 -3.465 7.228 1.00 119.70 ? 932 ALA A CA 1 ATOM 348 C C . ALA A 1 53 ? -11.798 -4.984 7.352 1.00 126.48 ? 932 ALA A C 1 ATOM 349 O O . ALA A 1 53 ? -12.423 -5.617 8.209 1.00 126.02 ? 932 ALA A O 1 ATOM 350 C CB . ALA A 1 53 ? -13.242 -3.165 6.399 1.00 123.74 ? 932 ALA A CB 1 ATOM 351 N N . ASN A 1 54 ? -10.889 -5.546 6.512 1.00 125.11 ? 933 ASN A N 1 ATOM 352 C CA . ASN A 1 54 ? -10.531 -6.971 6.415 1.00 127.50 ? 933 ASN A CA 1 ATOM 353 C C . ASN A 1 54 ? -9.557 -7.510 7.483 1.00 126.57 ? 933 ASN A C 1 ATOM 354 O O . ASN A 1 54 ? -9.219 -8.698 7.447 1.00 129.52 ? 933 ASN A O 1 ATOM 355 C CB . ASN A 1 54 ? -9.992 -7.277 5.009 1.00 133.38 ? 933 ASN A CB 1 ATOM 356 C CG . ASN A 1 54 ? -11.009 -7.075 3.908 1.00 165.97 ? 933 ASN A CG 1 ATOM 357 O OD1 . ASN A 1 54 ? -11.361 -5.942 3.543 1.00 162.75 ? 933 ASN A OD1 1 ATOM 358 N ND2 . ASN A 1 54 ? -11.499 -8.172 3.345 1.00 161.12 ? 933 ASN A ND2 1 ATOM 359 N N . THR A 1 55 ? -9.107 -6.657 8.418 1.00 115.52 ? 934 THR A N 1 ATOM 360 C CA . THR A 1 55 ? -8.148 -7.041 9.446 1.00 111.76 ? 934 THR A CA 1 ATOM 361 C C . THR A 1 55 ? -8.616 -8.200 10.331 1.00 112.42 ? 934 THR A C 1 ATOM 362 O O . THR A 1 55 ? -9.735 -8.187 10.821 1.00 112.19 ? 934 THR A O 1 ATOM 363 C CB . THR A 1 55 ? -7.635 -5.798 10.182 1.00 114.01 ? 934 THR A CB 1 ATOM 364 O OG1 . THR A 1 55 ? -6.799 -5.078 9.279 1.00 118.17 ? 934 THR A OG1 1 ATOM 365 C CG2 . THR A 1 55 ? -6.856 -6.126 11.469 1.00 107.84 ? 934 THR A CG2 1 ATOM 366 N N . LYS A 1 56 ? -7.750 -9.203 10.515 1.00 106.15 ? 935 LYS A N 1 ATOM 367 C CA . LYS A 1 56 ? -7.991 -10.366 11.373 1.00 104.11 ? 935 LYS A CA 1 ATOM 368 C C . LYS A 1 56 ? -7.854 -9.946 12.853 1.00 96.09 ? 935 LYS A C 1 ATOM 369 O O . LYS A 1 56 ? -7.000 -9.118 13.188 1.00 93.95 ? 935 LYS A O 1 ATOM 370 C CB . LYS A 1 56 ? -7.035 -11.536 11.015 1.00 110.52 ? 935 LYS A CB 1 ATOM 371 C CG . LYS A 1 56 ? -5.558 -11.130 10.790 1.00 123.16 ? 935 LYS A CG 1 ATOM 372 C CD . LYS A 1 56 ? -4.608 -12.320 10.578 1.00 130.85 ? 935 LYS A CD 1 ATOM 373 C CE . LYS A 1 56 ? -3.164 -11.873 10.471 1.00 118.39 ? 935 LYS A CE 1 ATOM 374 N NZ . LYS A 1 56 ? -2.216 -13.016 10.493 1.00 116.08 ? 935 LYS A NZ 1 ATOM 375 N N . TYR A 1 57 ? -8.715 -10.478 13.726 1.00 84.98 ? 936 TYR A N 1 ATOM 376 C CA . TYR A 1 57 ? -8.666 -10.136 15.141 1.00 77.93 ? 936 TYR A CA 1 ATOM 377 C C . TYR A 1 57 ? -7.466 -10.765 15.832 1.00 82.69 ? 936 TYR A C 1 ATOM 378 O O . TYR A 1 57 ? -7.075 -11.904 15.532 1.00 85.53 ? 936 TYR A O 1 ATOM 379 C CB . TYR A 1 57 ? -9.931 -10.606 15.877 1.00 76.31 ? 936 TYR A CB 1 ATOM 380 C CG . TYR A 1 57 ? -11.153 -9.734 15.730 1.00 72.54 ? 936 TYR A CG 1 ATOM 381 C CD1 . TYR A 1 57 ? -11.322 -8.597 16.518 1.00 70.50 ? 936 TYR A CD1 1 ATOM 382 C CD2 . TYR A 1 57 ? -12.210 -10.120 14.915 1.00 74.45 ? 936 TYR A CD2 1 ATOM 383 C CE1 . TYR A 1 57 ? -12.475 -7.819 16.427 1.00 69.47 ? 936 TYR A CE1 1 ATOM 384 C CE2 . TYR A 1 57 ? -13.367 -9.347 14.811 1.00 73.46 ? 936 TYR A CE2 1 ATOM 385 C CZ . TYR A 1 57 ? -13.494 -8.198 15.566 1.00 78.70 ? 936 TYR A CZ 1 ATOM 386 O OH . TYR A 1 57 ? -14.635 -7.448 15.437 1.00 84.65 ? 936 TYR A OH 1 ATOM 387 N N . LYS A 1 58 ? -6.898 -10.015 16.780 1.00 76.14 ? 937 LYS A N 1 ATOM 388 C CA . LYS A 1 58 ? -5.863 -10.490 17.685 1.00 76.45 ? 937 LYS A CA 1 ATOM 389 C C . LYS A 1 58 ? -6.606 -10.635 18.994 1.00 78.96 ? 937 LYS A C 1 ATOM 390 O O . LYS A 1 58 ? -7.538 -9.862 19.234 1.00 78.06 ? 937 LYS A O 1 ATOM 391 C CB . LYS A 1 58 ? -4.724 -9.467 17.826 1.00 76.66 ? 937 LYS A CB 1 ATOM 392 C CG . LYS A 1 58 ? -3.430 -9.926 17.181 1.00 88.20 ? 937 LYS A CG 1 ATOM 393 C CD . LYS A 1 58 ? -2.310 -8.931 17.308 1.00 92.42 ? 937 LYS A CD 1 ATOM 394 C CE . LYS A 1 58 ? -1.232 -9.280 16.315 1.00 101.81 ? 937 LYS A CE 1 ATOM 395 N NZ . LYS A 1 58 ? -0.600 -10.624 16.568 1.00 117.70 ? 937 LYS A NZ 1 ATOM 396 N N . ASN A 1 59 ? -6.271 -11.632 19.808 1.00 76.81 ? 938 ASN A N 1 ATOM 397 C CA . ASN A 1 59 ? -6.961 -11.792 21.086 1.00 76.66 ? 938 ASN A CA 1 ATOM 398 C C . ASN A 1 59 ? -6.145 -12.308 22.258 1.00 83.38 ? 938 ASN A C 1 ATOM 399 O O . ASN A 1 59 ? -5.086 -12.901 22.064 1.00 85.07 ? 938 ASN A O 1 ATOM 400 C CB . ASN A 1 59 ? -8.353 -12.430 20.972 1.00 79.77 ? 938 ASN A CB 1 ATOM 401 C CG . ASN A 1 59 ? -8.401 -13.815 20.451 1.00 103.62 ? 938 ASN A CG 1 ATOM 402 O OD1 . ASN A 1 59 ? -7.620 -14.679 20.858 1.00 101.70 ? 938 ASN A OD1 1 ATOM 403 N ND2 . ASN A 1 59 ? -9.406 -14.068 19.622 1.00 95.13 ? 938 ASN A ND2 1 ATOM 404 N N . ALA A 1 60 ? -6.622 -12.032 23.484 1.00 80.19 ? 939 ALA A N 1 ATOM 405 C CA . ALA A 1 60 ? -5.920 -12.388 24.709 1.00 82.03 ? 939 ALA A CA 1 ATOM 406 C C . ALA A 1 60 ? -6.868 -12.793 25.811 1.00 88.04 ? 939 ALA A C 1 ATOM 407 O O . ALA A 1 60 ? -7.992 -12.299 25.851 1.00 88.26 ? 939 ALA A O 1 ATOM 408 C CB . ALA A 1 60 ? -5.085 -11.207 25.162 1.00 80.00 ? 939 ALA A CB 1 ATOM 409 N N . ASN A 1 61 ? -6.415 -13.668 26.712 1.00 86.51 ? 940 ASN A N 1 ATOM 410 C CA . ASN A 1 61 ? -7.197 -14.106 27.864 1.00 87.93 ? 940 ASN A CA 1 ATOM 411 C C . ASN A 1 61 ? -6.822 -13.302 29.105 1.00 89.15 ? 940 ASN A C 1 ATOM 412 O O . ASN A 1 61 ? -5.643 -12.948 29.305 1.00 88.43 ? 940 ASN A O 1 ATOM 413 C CB . ASN A 1 61 ? -6.994 -15.592 28.142 1.00 100.16 ? 940 ASN A CB 1 ATOM 414 C CG . ASN A 1 61 ? -7.586 -16.522 27.119 1.00 145.34 ? 940 ASN A CG 1 ATOM 415 O OD1 . ASN A 1 61 ? -8.569 -16.195 26.433 1.00 138.56 ? 940 ASN A OD1 1 ATOM 416 N ND2 . ASN A 1 61 ? -6.987 -17.713 27.015 1.00 153.59 ? 940 ASN A ND2 1 ATOM 417 N N . ALA A 1 62 ? -7.834 -13.035 29.954 1.00 83.63 ? 941 ALA A N 1 ATOM 418 C CA . ALA A 1 62 ? -7.678 -12.273 31.196 1.00 81.67 ? 941 ALA A CA 1 ATOM 419 C C . ALA A 1 62 ? -8.473 -12.913 32.295 1.00 86.60 ? 941 ALA A C 1 ATOM 420 O O . ALA A 1 62 ? -9.524 -13.497 32.034 1.00 87.48 ? 941 ALA A O 1 ATOM 421 C CB . ALA A 1 62 ? -8.129 -10.826 30.984 1.00 77.72 ? 941 ALA A CB 1 ATOM 422 N N . THR A 1 63 ? -7.987 -12.814 33.525 1.00 86.05 ? 942 THR A N 1 ATOM 423 C CA . THR A 1 63 ? -8.693 -13.396 34.679 1.00 89.92 ? 942 THR A CA 1 ATOM 424 C C . THR A 1 63 ? -9.219 -12.290 35.590 1.00 94.38 ? 942 THR A C 1 ATOM 425 O O . THR A 1 63 ? -9.739 -12.562 36.679 1.00 98.05 ? 942 THR A O 1 ATOM 426 C CB . THR A 1 63 ? -7.839 -14.466 35.384 1.00 101.08 ? 942 THR A CB 1 ATOM 427 O OG1 . THR A 1 63 ? -6.582 -13.896 35.766 1.00 101.63 ? 942 THR A OG1 1 ATOM 428 C CG2 . THR A 1 63 ? -7.624 -15.711 34.514 1.00 99.06 ? 942 THR A CG2 1 ATOM 429 N N . THR A 1 64 ? -9.092 -11.031 35.124 1.00 86.17 ? 943 THR A N 1 ATOM 430 C CA . THR A 1 64 ? -9.552 -9.840 35.841 1.00 83.91 ? 943 THR A CA 1 ATOM 431 C C . THR A 1 64 ? -10.507 -9.062 34.939 1.00 81.82 ? 943 THR A C 1 ATOM 432 O O . THR A 1 64 ? -10.614 -9.386 33.758 1.00 79.23 ? 943 THR A O 1 ATOM 433 C CB . THR A 1 64 ? -8.358 -8.985 36.327 1.00 92.17 ? 943 THR A CB 1 ATOM 434 O OG1 . THR A 1 64 ? -7.537 -8.626 35.211 1.00 94.40 ? 943 THR A OG1 1 ATOM 435 C CG2 . THR A 1 64 ? -7.529 -9.685 37.378 1.00 93.99 ? 943 THR A CG2 1 ATOM 436 N N . LEU A 1 65 ? -11.197 -8.040 35.492 1.00 76.58 ? 944 LEU A N 1 ATOM 437 C CA . LEU A 1 65 ? -12.133 -7.204 34.744 1.00 72.70 ? 944 LEU A CA 1 ATOM 438 C C . LEU A 1 65 ? -11.455 -6.048 33.968 1.00 74.66 ? 944 LEU A C 1 ATOM 439 O O . LEU A 1 65 ? -12.035 -4.973 33.802 1.00 70.80 ? 944 LEU A O 1 ATOM 440 C CB . LEU A 1 65 ? -13.235 -6.699 35.655 1.00 73.29 ? 944 LEU A CB 1 ATOM 441 C CG . LEU A 1 65 ? -14.181 -7.743 36.239 1.00 81.13 ? 944 LEU A CG 1 ATOM 442 C CD1 . LEU A 1 65 ? -15.089 -7.101 37.261 1.00 82.91 ? 944 LEU A CD1 1 ATOM 443 C CD2 . LEU A 1 65 ? -15.040 -8.391 35.165 1.00 80.19 ? 944 LEU A CD2 1 ATOM 444 N N . SER A 1 66 ? -10.219 -6.304 33.483 1.00 73.42 ? 945 SER A N 1 ATOM 445 C CA . SER A 1 66 ? -9.402 -5.402 32.674 1.00 71.23 ? 945 SER A CA 1 ATOM 446 C C . SER A 1 66 ? -8.285 -6.143 31.963 1.00 74.79 ? 945 SER A C 1 ATOM 447 O O . SER A 1 66 ? -7.855 -7.209 32.408 1.00 78.92 ? 945 SER A O 1 ATOM 448 C CB . SER A 1 66 ? -8.823 -4.262 33.498 1.00 77.34 ? 945 SER A CB 1 ATOM 449 O OG . SER A 1 66 ? -7.820 -4.727 34.383 1.00 101.42 ? 945 SER A OG 1 ATOM 450 N N . TYR A 1 67 ? -7.815 -5.566 30.860 1.00 67.23 ? 946 TYR A N 1 ATOM 451 C CA . TYR A 1 67 ? -6.722 -6.096 30.060 1.00 68.14 ? 946 TYR A CA 1 ATOM 452 C C . TYR A 1 67 ? -5.931 -4.958 29.424 1.00 71.71 ? 946 TYR A C 1 ATOM 453 O O . TYR A 1 67 ? -6.497 -3.981 28.907 1.00 67.51 ? 946 TYR A O 1 ATOM 454 C CB . TYR A 1 67 ? -7.176 -7.130 29.006 1.00 69.36 ? 946 TYR A CB 1 ATOM 455 C CG . TYR A 1 67 ? -6.010 -7.791 28.307 1.00 72.59 ? 946 TYR A CG 1 ATOM 456 C CD1 . TYR A 1 67 ? -5.295 -8.814 28.921 1.00 78.87 ? 946 TYR A CD1 1 ATOM 457 C CD2 . TYR A 1 67 ? -5.565 -7.336 27.071 1.00 71.92 ? 946 TYR A CD2 1 ATOM 458 C CE1 . TYR A 1 67 ? -4.171 -9.371 28.322 1.00 83.67 ? 946 TYR A CE1 1 ATOM 459 C CE2 . TYR A 1 67 ? -4.433 -7.878 26.465 1.00 75.76 ? 946 TYR A CE2 1 ATOM 460 C CZ . TYR A 1 67 ? -3.743 -8.901 27.096 1.00 91.54 ? 946 TYR A CZ 1 ATOM 461 O OH . TYR A 1 67 ? -2.649 -9.489 26.517 1.00 101.09 ? 946 TYR A OH 1 ATOM 462 N N . LEU A 1 68 ? -4.595 -5.100 29.480 1.00 69.99 ? 947 LEU A N 1 ATOM 463 C CA . LEU A 1 68 ? -3.661 -4.127 28.939 1.00 66.09 ? 947 LEU A CA 1 ATOM 464 C C . LEU A 1 68 ? -3.249 -4.551 27.541 1.00 65.20 ? 947 LEU A C 1 ATOM 465 O O . LEU A 1 68 ? -2.452 -5.467 27.371 1.00 62.76 ? 947 LEU A O 1 ATOM 466 C CB . LEU A 1 68 ? -2.454 -4.001 29.867 1.00 68.01 ? 947 LEU A CB 1 ATOM 467 C CG . LEU A 1 68 ? -1.661 -2.748 29.700 1.00 70.56 ? 947 LEU A CG 1 ATOM 468 C CD1 . LEU A 1 68 ? -2.382 -1.584 30.297 1.00 67.92 ? 947 LEU A CD1 1 ATOM 469 C CD2 . LEU A 1 68 ? -0.307 -2.894 30.340 1.00 74.82 ? 947 LEU A CD2 1 ATOM 470 N N . VAL A 1 69 ? -3.848 -3.907 26.530 1.00 61.48 ? 948 VAL A N 1 ATOM 471 C CA . VAL A 1 69 ? -3.517 -4.235 25.141 1.00 59.44 ? 948 VAL A CA 1 ATOM 472 C C . VAL A 1 69 ? -2.252 -3.461 24.767 1.00 65.12 ? 948 VAL A C 1 ATOM 473 O O . VAL A 1 69 ? -2.249 -2.232 24.759 1.00 62.36 ? 948 VAL A O 1 ATOM 474 C CB . VAL A 1 69 ? -4.652 -4.028 24.131 1.00 58.13 ? 948 VAL A CB 1 ATOM 475 C CG1 . VAL A 1 69 ? -4.248 -4.597 22.784 1.00 58.66 ? 948 VAL A CG1 1 ATOM 476 C CG2 . VAL A 1 69 ? -5.963 -4.642 24.597 1.00 57.49 ? 948 VAL A CG2 1 ATOM 477 N N . THR A 1 70 ? -1.171 -4.205 24.495 1.00 65.57 ? 949 THR A N 1 ATOM 478 C CA . THR A 1 70 ? 0.134 -3.660 24.145 1.00 66.94 ? 949 THR A CA 1 ATOM 479 C C . THR A 1 70 ? 0.488 -3.978 22.686 1.00 71.83 ? 949 THR A C 1 ATOM 480 O O . THR A 1 70 ? -0.280 -4.664 21.987 1.00 72.02 ? 949 THR A O 1 ATOM 481 C CB . THR A 1 70 ? 1.217 -4.128 25.171 1.00 76.19 ? 949 THR A CB 1 ATOM 482 O OG1 . THR A 1 70 ? 1.345 -5.542 25.119 1.00 89.36 ? 949 THR A OG1 1 ATOM 483 C CG2 . THR A 1 70 ? 0.917 -3.707 26.607 1.00 61.80 ? 949 THR A CG2 1 ATOM 484 N N . GLY A 1 71 ? 1.624 -3.442 22.241 1.00 68.12 ? 950 GLY A N 1 ATOM 485 C CA . GLY A 1 71 ? 2.162 -3.636 20.900 1.00 67.85 ? 950 GLY A CA 1 ATOM 486 C C . GLY A 1 71 ? 1.331 -3.078 19.772 1.00 67.30 ? 950 GLY A C 1 ATOM 487 O O . GLY A 1 71 ? 1.497 -3.514 18.619 1.00 67.12 ? 950 GLY A O 1 ATOM 488 N N . LEU A 1 72 ? 0.426 -2.108 20.091 1.00 59.32 ? 951 LEU A N 1 ATOM 489 C CA . LEU A 1 72 ? -0.447 -1.486 19.086 1.00 55.24 ? 951 LEU A CA 1 ATOM 490 C C . LEU A 1 72 ? 0.344 -0.488 18.216 1.00 58.12 ? 951 LEU A C 1 ATOM 491 O O . LEU A 1 72 ? 1.454 -0.096 18.588 1.00 56.72 ? 951 LEU A O 1 ATOM 492 C CB . LEU A 1 72 ? -1.628 -0.818 19.769 1.00 51.76 ? 951 LEU A CB 1 ATOM 493 C CG . LEU A 1 72 ? -2.558 -1.756 20.578 1.00 56.99 ? 951 LEU A CG 1 ATOM 494 C CD1 . LEU A 1 72 ? -3.487 -0.965 21.484 1.00 52.95 ? 951 LEU A CD1 1 ATOM 495 C CD2 . LEU A 1 72 ? -3.372 -2.717 19.674 1.00 62.46 ? 951 LEU A CD2 1 ATOM 496 N N . LYS A 1 73 ? -0.193 -0.117 17.040 1.00 53.59 ? 952 LYS A N 1 ATOM 497 C CA . LYS A 1 73 ? 0.501 0.832 16.170 1.00 53.07 ? 952 LYS A CA 1 ATOM 498 C C . LYS A 1 73 ? 0.139 2.249 16.612 1.00 55.42 ? 952 LYS A C 1 ATOM 499 O O . LYS A 1 73 ? -1.016 2.484 17.001 1.00 51.10 ? 952 LYS A O 1 ATOM 500 C CB . LYS A 1 73 ? 0.095 0.664 14.705 1.00 55.33 ? 952 LYS A CB 1 ATOM 501 C CG . LYS A 1 73 ? 0.718 -0.497 13.977 1.00 73.22 ? 952 LYS A CG 1 ATOM 502 C CD . LYS A 1 73 ? 0.211 -0.591 12.492 1.00 81.43 ? 952 LYS A CD 1 ATOM 503 C CE . LYS A 1 73 ? 0.842 0.328 11.455 1.00 92.04 ? 952 LYS A CE 1 ATOM 504 N NZ . LYS A 1 73 ? 0.286 1.713 11.497 1.00 99.85 ? 952 LYS A NZ 1 ATOM 505 N N . PRO A 1 74 ? 1.083 3.226 16.536 1.00 52.32 ? 953 PRO A N 1 ATOM 506 C CA . PRO A 1 74 ? 0.715 4.616 16.902 1.00 50.95 ? 953 PRO A CA 1 ATOM 507 C C . PRO A 1 74 ? -0.327 5.244 15.971 1.00 54.94 ? 953 PRO A C 1 ATOM 508 O O . PRO A 1 74 ? -0.447 4.841 14.815 1.00 54.44 ? 953 PRO A O 1 ATOM 509 C CB . PRO A 1 74 ? 2.050 5.374 16.876 1.00 54.49 ? 953 PRO A CB 1 ATOM 510 C CG . PRO A 1 74 ? 2.950 4.532 16.066 1.00 60.74 ? 953 PRO A CG 1 ATOM 511 C CD . PRO A 1 74 ? 2.488 3.125 16.103 1.00 55.35 ? 953 PRO A CD 1 ATOM 512 N N . ASN A 1 75 ? -1.105 6.212 16.486 1.00 50.80 ? 954 ASN A N 1 ATOM 513 C CA . ASN A 1 75 ? -2.107 6.943 15.695 1.00 48.49 ? 954 ASN A CA 1 ATOM 514 C C . ASN A 1 75 ? -3.032 6.013 14.908 1.00 51.65 ? 954 ASN A C 1 ATOM 515 O O . ASN A 1 75 ? -3.250 6.233 13.709 1.00 50.47 ? 954 ASN A O 1 ATOM 516 C CB . ASN A 1 75 ? -1.425 7.941 14.758 1.00 41.23 ? 954 ASN A CB 1 ATOM 517 C CG . ASN A 1 75 ? -2.338 9.002 14.212 1.00 61.59 ? 954 ASN A CG 1 ATOM 518 O OD1 . ASN A 1 75 ? -3.048 9.686 14.945 1.00 59.58 ? 954 ASN A OD1 1 ATOM 519 N ND2 . ASN A 1 75 ? -2.270 9.228 12.917 1.00 57.35 ? 954 ASN A ND2 1 ATOM 520 N N . THR A 1 76 ? -3.558 4.962 15.590 1.00 46.64 ? 955 THR A N 1 ATOM 521 C CA . THR A 1 76 ? -4.412 3.947 14.979 1.00 44.74 ? 955 THR A CA 1 ATOM 522 C C . THR A 1 76 ? -5.621 3.719 15.822 1.00 47.23 ? 955 THR A C 1 ATOM 523 O O . THR A 1 76 ? -5.512 3.547 17.027 1.00 46.89 ? 955 THR A O 1 ATOM 524 C CB . THR A 1 76 ? -3.606 2.633 14.730 1.00 51.95 ? 955 THR A CB 1 ATOM 525 O OG1 . THR A 1 76 ? -2.472 2.903 13.923 1.00 53.90 ? 955 THR A OG1 1 ATOM 526 C CG2 . THR A 1 76 ? -4.413 1.536 14.056 1.00 48.33 ? 955 THR A CG2 1 ATOM 527 N N . LEU A 1 77 ? -6.787 3.689 15.170 1.00 45.58 ? 956 LEU A N 1 ATOM 528 C CA . LEU A 1 77 ? -8.085 3.400 15.793 1.00 44.21 ? 956 LEU A CA 1 ATOM 529 C C . LEU A 1 77 ? -8.285 1.868 15.804 1.00 51.17 ? 956 LEU A C 1 ATOM 530 O O . LEU A 1 77 ? -8.084 1.205 14.778 1.00 55.06 ? 956 LEU A O 1 ATOM 531 C CB . LEU A 1 77 ? -9.221 4.082 15.029 1.00 43.40 ? 956 LEU A CB 1 ATOM 532 C CG . LEU A 1 77 ? -10.617 3.948 15.628 1.00 45.79 ? 956 LEU A CG 1 ATOM 533 C CD1 . LEU A 1 77 ? -10.703 4.597 16.983 1.00 44.30 ? 956 LEU A CD1 1 ATOM 534 C CD2 . LEU A 1 77 ? -11.620 4.556 14.736 1.00 42.99 ? 956 LEU A CD2 1 ATOM 535 N N . TYR A 1 78 ? -8.602 1.332 16.974 1.00 45.45 ? 957 TYR A N 1 ATOM 536 C CA . TYR A 1 78 ? -8.852 -0.080 17.239 1.00 47.03 ? 957 TYR A CA 1 ATOM 537 C C . TYR A 1 78 ? -10.279 -0.254 17.802 1.00 54.57 ? 957 TYR A C 1 ATOM 538 O O . TYR A 1 78 ? -10.826 0.660 18.435 1.00 54.99 ? 957 TYR A O 1 ATOM 539 C CB . TYR A 1 78 ? -7.832 -0.627 18.246 1.00 47.47 ? 957 TYR A CB 1 ATOM 540 C CG . TYR A 1 78 ? -6.437 -0.764 17.673 1.00 54.24 ? 957 TYR A CG 1 ATOM 541 C CD1 . TYR A 1 78 ? -6.048 -1.923 16.991 1.00 58.63 ? 957 TYR A CD1 1 ATOM 542 C CD2 . TYR A 1 78 ? -5.483 0.252 17.836 1.00 53.86 ? 957 TYR A CD2 1 ATOM 543 C CE1 . TYR A 1 78 ? -4.767 -2.053 16.454 1.00 56.21 ? 957 TYR A CE1 1 ATOM 544 C CE2 . TYR A 1 78 ? -4.194 0.121 17.316 1.00 54.68 ? 957 TYR A CE2 1 ATOM 545 C CZ . TYR A 1 78 ? -3.854 -1.018 16.597 1.00 61.11 ? 957 TYR A CZ 1 ATOM 546 O OH . TYR A 1 78 ? -2.596 -1.137 16.055 1.00 68.19 ? 957 TYR A OH 1 ATOM 547 N N . GLU A 1 79 ? -10.871 -1.425 17.545 1.00 51.57 ? 958 GLU A N 1 ATOM 548 C CA . GLU A 1 79 ? -12.168 -1.884 18.057 1.00 52.38 ? 958 GLU A CA 1 ATOM 549 C C . GLU A 1 79 ? -11.849 -2.958 19.081 1.00 56.94 ? 958 GLU A C 1 ATOM 550 O O . GLU A 1 79 ? -10.991 -3.807 18.840 1.00 56.63 ? 958 GLU A O 1 ATOM 551 C CB . GLU A 1 79 ? -13.018 -2.565 16.972 1.00 56.64 ? 958 GLU A CB 1 ATOM 552 C CG . GLU A 1 79 ? -13.244 -1.811 15.676 1.00 71.89 ? 958 GLU A CG 1 ATOM 553 C CD . GLU A 1 79 ? -14.066 -2.558 14.642 1.00 97.62 ? 958 GLU A CD 1 ATOM 554 O OE1 . GLU A 1 79 ? -14.509 -3.704 14.904 1.00 79.14 ? 958 GLU A OE1 1 ATOM 555 O OE2 . GLU A 1 79 ? -14.250 -1.985 13.546 1.00 102.73 ? 958 GLU A OE2 1 ATOM 556 N N . PHE A 1 80 ? -12.556 -2.968 20.191 1.00 56.94 ? 959 PHE A N 1 ATOM 557 C CA . PHE A 1 80 ? -12.342 -3.975 21.249 1.00 58.03 ? 959 PHE A CA 1 ATOM 558 C C . PHE A 1 80 ? -13.663 -4.541 21.683 1.00 65.47 ? 959 PHE A C 1 ATOM 559 O O . PHE A 1 80 ? -14.660 -3.821 21.738 1.00 67.00 ? 959 PHE A O 1 ATOM 560 C CB . PHE A 1 80 ? -11.624 -3.363 22.465 1.00 57.33 ? 959 PHE A CB 1 ATOM 561 C CG . PHE A 1 80 ? -10.343 -2.615 22.153 1.00 57.40 ? 959 PHE A CG 1 ATOM 562 C CD1 . PHE A 1 80 ? -10.368 -1.265 21.839 1.00 58.58 ? 959 PHE A CD1 1 ATOM 563 C CD2 . PHE A 1 80 ? -9.105 -3.255 22.217 1.00 61.55 ? 959 PHE A CD2 1 ATOM 564 C CE1 . PHE A 1 80 ? -9.182 -0.568 21.575 1.00 59.80 ? 959 PHE A CE1 1 ATOM 565 C CE2 . PHE A 1 80 ? -7.910 -2.554 21.954 1.00 63.88 ? 959 PHE A CE2 1 ATOM 566 C CZ . PHE A 1 80 ? -7.957 -1.215 21.629 1.00 60.24 ? 959 PHE A CZ 1 ATOM 567 N N . SER A 1 81 ? -13.686 -5.831 21.951 1.00 63.65 ? 960 SER A N 1 ATOM 568 C CA . SER A 1 81 ? -14.858 -6.545 22.481 1.00 65.33 ? 960 SER A CA 1 ATOM 569 C C . SER A 1 81 ? -14.362 -7.689 23.360 1.00 69.38 ? 960 SER A C 1 ATOM 570 O O . SER A 1 81 ? -13.207 -8.139 23.225 1.00 69.19 ? 960 SER A O 1 ATOM 571 C CB . SER A 1 81 ? -15.826 -7.007 21.394 1.00 70.37 ? 960 SER A CB 1 ATOM 572 O OG . SER A 1 81 ? -15.182 -7.253 20.158 1.00 80.31 ? 960 SER A OG 1 ATOM 573 N N . VAL A 1 82 ? -15.189 -8.054 24.345 1.00 64.06 ? 961 VAL A N 1 ATOM 574 C CA . VAL A 1 82 ? -14.864 -9.053 25.345 1.00 63.85 ? 961 VAL A CA 1 ATOM 575 C C . VAL A 1 82 ? -15.994 -10.063 25.375 1.00 72.40 ? 961 VAL A C 1 ATOM 576 O O . VAL A 1 82 ? -17.151 -9.738 25.065 1.00 72.46 ? 961 VAL A O 1 ATOM 577 C CB . VAL A 1 82 ? -14.667 -8.437 26.773 1.00 65.01 ? 961 VAL A CB 1 ATOM 578 C CG1 . VAL A 1 82 ? -13.818 -9.343 27.672 1.00 66.42 ? 961 VAL A CG1 1 ATOM 579 C CG2 . VAL A 1 82 ? -14.086 -7.030 26.730 1.00 61.09 ? 961 VAL A CG2 1 ATOM 580 N N . MET A 1 83 ? -15.650 -11.287 25.802 1.00 71.51 ? 962 MET A N 1 ATOM 581 C CA . MET A 1 83 ? -16.571 -12.377 26.055 1.00 74.82 ? 962 MET A CA 1 ATOM 582 C C . MET A 1 83 ? -16.100 -13.056 27.337 1.00 81.50 ? 962 MET A C 1 ATOM 583 O O . MET A 1 83 ? -14.995 -12.776 27.815 1.00 81.52 ? 962 MET A O 1 ATOM 584 C CB . MET A 1 83 ? -16.626 -13.346 24.875 1.00 80.02 ? 962 MET A CB 1 ATOM 585 C CG . MET A 1 83 ? -15.376 -14.186 24.721 1.00 85.39 ? 962 MET A CG 1 ATOM 586 S SD . MET A 1 83 ? -15.634 -15.557 23.598 1.00 94.56 ? 962 MET A SD 1 ATOM 587 C CE . MET A 1 83 ? -16.457 -16.667 24.651 1.00 96.83 ? 962 MET A CE 1 ATOM 588 N N . VAL A 1 84 ? -16.947 -13.923 27.899 1.00 80.75 ? 963 VAL A N 1 ATOM 589 C CA . VAL A 1 84 ? -16.653 -14.709 29.092 1.00 82.80 ? 963 VAL A CA 1 ATOM 590 C C . VAL A 1 84 ? -16.863 -16.200 28.802 1.00 91.54 ? 963 VAL A C 1 ATOM 591 O O . VAL A 1 84 ? -17.757 -16.560 28.034 1.00 92.00 ? 963 VAL A O 1 ATOM 592 C CB . VAL A 1 84 ? -17.427 -14.204 30.339 1.00 86.30 ? 963 VAL A CB 1 ATOM 593 C CG1 . VAL A 1 84 ? -18.937 -14.322 30.164 1.00 88.17 ? 963 VAL A CG1 1 ATOM 594 C CG2 . VAL A 1 84 ? -16.954 -14.898 31.612 1.00 88.85 ? 963 VAL A CG2 1 ATOM 595 N N . THR A 1 85 ? -15.998 -17.042 29.383 1.00 93.03 ? 964 THR A N 1 ATOM 596 C CA . THR A 1 85 ? -16.037 -18.507 29.304 1.00 99.55 ? 964 THR A CA 1 ATOM 597 C C . THR A 1 85 ? -15.837 -19.063 30.722 1.00 107.43 ? 964 THR A C 1 ATOM 598 O O . THR A 1 85 ? -14.970 -18.583 31.455 1.00 105.18 ? 964 THR A O 1 ATOM 599 C CB . THR A 1 85 ? -14.926 -19.032 28.371 1.00 113.12 ? 964 THR A CB 1 ATOM 600 O OG1 . THR A 1 85 ? -14.994 -18.369 27.108 1.00 113.50 ? 964 THR A OG1 1 ATOM 601 C CG2 . THR A 1 85 ? -14.984 -20.546 28.172 1.00 116.70 ? 964 THR A CG2 1 ATOM 602 N N . LYS A 1 86 ? -16.648 -20.050 31.103 1.00 110.09 ? 965 LYS A N 1 ATOM 603 C CA . LYS A 1 86 ? -16.553 -20.773 32.375 1.00 114.92 ? 965 LYS A CA 1 ATOM 604 C C . LYS A 1 86 ? -16.860 -22.239 32.052 1.00 123.02 ? 965 LYS A C 1 ATOM 605 O O . LYS A 1 86 ? -18.023 -22.654 32.034 1.00 124.32 ? 965 LYS A O 1 ATOM 606 C CB . LYS A 1 86 ? -17.489 -20.192 33.453 1.00 118.62 ? 965 LYS A CB 1 ATOM 607 C CG . LYS A 1 86 ? -17.248 -20.790 34.839 1.00 143.89 ? 965 LYS A CG 1 ATOM 608 C CD . LYS A 1 86 ? -18.246 -20.271 35.872 1.00 160.82 ? 965 LYS A CD 1 ATOM 609 C CE . LYS A 1 86 ? -18.962 -21.380 36.611 1.00 185.50 ? 965 LYS A CE 1 ATOM 610 N NZ . LYS A 1 86 ? -18.054 -22.130 37.521 1.00 200.14 ? 965 LYS A NZ 1 ATOM 611 N N . GLY A 1 87 ? -15.804 -22.963 31.700 1.00 122.58 ? 966 GLY A N 1 ATOM 612 C CA . GLY A 1 87 ? -15.872 -24.353 31.279 1.00 129.69 ? 966 GLY A CA 1 ATOM 613 C C . GLY A 1 87 ? -16.505 -24.520 29.909 1.00 136.82 ? 966 GLY A C 1 ATOM 614 O O . GLY A 1 87 ? -16.084 -23.881 28.936 1.00 132.26 ? 966 GLY A O 1 ATOM 615 N N . ARG A 1 88 ? -17.540 -25.384 29.840 1.00 140.71 ? 967 ARG A N 1 ATOM 616 C CA . ARG A 1 88 ? -18.311 -25.714 28.631 1.00 143.02 ? 967 ARG A CA 1 ATOM 617 C C . ARG A 1 88 ? -19.147 -24.517 28.155 1.00 143.07 ? 967 ARG A C 1 ATOM 618 O O . ARG A 1 88 ? -19.393 -24.378 26.955 1.00 142.55 ? 967 ARG A O 1 ATOM 619 C CB . ARG A 1 88 ? -19.194 -26.964 28.866 1.00 150.84 ? 967 ARG A CB 1 ATOM 620 C CG . ARG A 1 88 ? -18.384 -28.251 29.104 1.00 166.29 ? 967 ARG A CG 1 ATOM 621 C CD . ARG A 1 88 ? -19.251 -29.487 29.287 1.00 182.63 ? 967 ARG A CD 1 ATOM 622 N NE . ARG A 1 88 ? -19.818 -29.570 30.634 1.00 191.49 ? 967 ARG A NE 1 ATOM 623 C CZ . ARG A 1 88 ? -20.658 -30.515 31.045 1.00 204.22 ? 967 ARG A CZ 1 ATOM 624 N NH1 . ARG A 1 88 ? -21.043 -31.479 30.216 1.00 198.21 ? 967 ARG A NH1 1 ATOM 625 N NH2 . ARG A 1 88 ? -21.119 -30.504 32.287 1.00 197.71 ? 967 ARG A NH2 1 ATOM 626 N N . ARG A 1 89 ? -19.548 -23.641 29.099 1.00 136.81 ? 968 ARG A N 1 ATOM 627 C CA . ARG A 1 89 ? -20.339 -22.432 28.849 1.00 132.45 ? 968 ARG A CA 1 ATOM 628 C C . ARG A 1 89 ? -19.489 -21.243 28.388 1.00 131.30 ? 968 ARG A C 1 ATOM 629 O O . ARG A 1 89 ? -18.334 -21.095 28.798 1.00 130.29 ? 968 ARG A O 1 ATOM 630 C CB . ARG A 1 89 ? -21.127 -22.029 30.102 1.00 129.99 ? 968 ARG A CB 1 ATOM 631 C CG . ARG A 1 89 ? -22.241 -23.001 30.466 1.00 138.83 ? 968 ARG A CG 1 ATOM 632 C CD . ARG A 1 89 ? -23.041 -22.485 31.636 1.00 136.71 ? 968 ARG A CD 1 ATOM 633 N NE . ARG A 1 89 ? -24.000 -21.460 31.228 1.00 131.67 ? 968 ARG A NE 1 ATOM 634 C CZ . ARG A 1 89 ? -24.321 -20.398 31.961 1.00 137.93 ? 968 ARG A CZ 1 ATOM 635 N NH1 . ARG A 1 89 ? -23.752 -20.202 33.146 1.00 112.66 ? 968 ARG A NH1 1 ATOM 636 N NH2 . ARG A 1 89 ? -25.202 -19.516 31.510 1.00 128.03 ? 968 ARG A NH2 1 ATOM 637 N N . SER A 1 90 ? -20.083 -20.390 27.545 1.00 123.58 ? 969 SER A N 1 ATOM 638 C CA . SER A 1 90 ? -19.465 -19.177 27.037 1.00 116.85 ? 969 SER A CA 1 ATOM 639 C C . SER A 1 90 ? -20.550 -18.177 26.610 1.00 117.77 ? 969 SER A C 1 ATOM 640 O O . SER A 1 90 ? -21.715 -18.566 26.429 1.00 121.12 ? 969 SER A O 1 ATOM 641 C CB . SER A 1 90 ? -18.470 -19.483 25.915 1.00 119.96 ? 969 SER A CB 1 ATOM 642 O OG . SER A 1 90 ? -18.973 -19.277 24.604 1.00 128.78 ? 969 SER A OG 1 ATOM 643 N N . SER A 1 91 ? -20.167 -16.886 26.491 1.00 107.13 ? 970 SER A N 1 ATOM 644 C CA . SER A 1 91 ? -21.062 -15.807 26.091 1.00 104.23 ? 970 SER A CA 1 ATOM 645 C C . SER A 1 91 ? -20.714 -15.354 24.685 1.00 106.94 ? 970 SER A C 1 ATOM 646 O O . SER A 1 91 ? -19.720 -15.814 24.119 1.00 106.52 ? 970 SER A O 1 ATOM 647 C CB . SER A 1 91 ? -20.921 -14.635 27.058 1.00 102.18 ? 970 SER A CB 1 ATOM 648 O OG . SER A 1 91 ? -19.843 -13.777 26.722 1.00 104.24 ? 970 SER A OG 1 ATOM 649 N N . THR A 1 92 ? -21.510 -14.419 24.127 1.00 102.68 ? 971 THR A N 1 ATOM 650 C CA . THR A 1 92 ? -21.187 -13.806 22.835 1.00 99.29 ? 971 THR A CA 1 ATOM 651 C C . THR A 1 92 ? -20.239 -12.646 23.128 1.00 95.38 ? 971 THR A C 1 ATOM 652 O O . THR A 1 92 ? -19.851 -12.424 24.291 1.00 92.91 ? 971 THR A O 1 ATOM 653 C CB . THR A 1 92 ? -22.443 -13.363 22.060 1.00 103.06 ? 971 THR A CB 1 ATOM 654 O OG1 . THR A 1 92 ? -23.365 -12.718 22.932 1.00 92.02 ? 971 THR A OG1 1 ATOM 655 C CG2 . THR A 1 92 ? -23.131 -14.513 21.377 1.00 111.48 ? 971 THR A CG2 1 ATOM 656 N N . TRP A 1 93 ? -19.857 -11.918 22.081 1.00 88.49 ? 972 TRP A N 1 ATOM 657 C CA . TRP A 1 93 ? -18.975 -10.767 22.241 1.00 82.50 ? 972 TRP A CA 1 ATOM 658 C C . TRP A 1 93 ? -19.794 -9.586 22.737 1.00 85.26 ? 972 TRP A C 1 ATOM 659 O O . TRP A 1 93 ? -20.955 -9.413 22.347 1.00 86.92 ? 972 TRP A O 1 ATOM 660 C CB . TRP A 1 93 ? -18.202 -10.460 20.957 1.00 78.14 ? 972 TRP A CB 1 ATOM 661 C CG . TRP A 1 93 ? -17.255 -11.558 20.591 1.00 79.90 ? 972 TRP A CG 1 ATOM 662 C CD1 . TRP A 1 93 ? -17.463 -12.547 19.677 1.00 86.35 ? 972 TRP A CD1 1 ATOM 663 C CD2 . TRP A 1 93 ? -15.964 -11.814 21.175 1.00 78.31 ? 972 TRP A CD2 1 ATOM 664 N NE1 . TRP A 1 93 ? -16.380 -13.402 19.648 1.00 86.74 ? 972 TRP A NE1 1 ATOM 665 C CE2 . TRP A 1 93 ? -15.442 -12.970 20.554 1.00 84.87 ? 972 TRP A CE2 1 ATOM 666 C CE3 . TRP A 1 93 ? -15.192 -11.169 22.158 1.00 76.43 ? 972 TRP A CE3 1 ATOM 667 C CZ2 . TRP A 1 93 ? -14.179 -13.486 20.871 1.00 84.16 ? 972 TRP A CZ2 1 ATOM 668 C CZ3 . TRP A 1 93 ? -13.953 -11.692 22.486 1.00 78.12 ? 972 TRP A CZ3 1 ATOM 669 C CH2 . TRP A 1 93 ? -13.444 -12.822 21.831 1.00 81.79 ? 972 TRP A CH2 1 ATOM 670 N N . SER A 1 94 ? -19.203 -8.827 23.663 1.00 77.82 ? 973 SER A N 1 ATOM 671 C CA . SER A 1 94 ? -19.799 -7.649 24.271 1.00 75.37 ? 973 SER A CA 1 ATOM 672 C C . SER A 1 94 ? -19.979 -6.540 23.213 1.00 76.22 ? 973 SER A C 1 ATOM 673 O O . SER A 1 94 ? -19.622 -6.690 22.029 1.00 76.11 ? 973 SER A O 1 ATOM 674 C CB . SER A 1 94 ? -18.872 -7.128 25.372 1.00 74.70 ? 973 SER A CB 1 ATOM 675 O OG . SER A 1 94 ? -17.694 -6.546 24.831 1.00 76.41 ? 973 SER A OG 1 ATOM 676 N N . MET A 1 95 ? -20.459 -5.392 23.685 1.00 68.99 ? 974 MET A N 1 ATOM 677 C CA . MET A 1 95 ? -20.568 -4.172 22.909 1.00 65.81 ? 974 MET A CA 1 ATOM 678 C C . MET A 1 95 ? -19.144 -3.843 22.492 1.00 64.44 ? 974 MET A C 1 ATOM 679 O O . MET A 1 95 ? -18.204 -4.261 23.169 1.00 63.00 ? 974 MET A O 1 ATOM 680 C CB . MET A 1 95 ? -21.148 -3.038 23.786 1.00 67.88 ? 974 MET A CB 1 ATOM 681 C CG . MET A 1 95 ? -20.426 -2.880 25.176 1.00 69.95 ? 974 MET A CG 1 ATOM 682 S SD . MET A 1 95 ? -20.455 -1.216 25.902 1.00 71.95 ? 974 MET A SD 1 ATOM 683 C CE . MET A 1 95 ? -19.204 -0.342 24.807 1.00 64.75 ? 974 MET A CE 1 ATOM 684 N N . THR A 1 96 ? -18.968 -3.107 21.411 1.00 59.82 ? 975 THR A N 1 ATOM 685 C CA . THR A 1 96 ? -17.618 -2.742 21.002 1.00 57.19 ? 975 THR A CA 1 ATOM 686 C C . THR A 1 96 ? -17.206 -1.419 21.562 1.00 57.86 ? 975 THR A C 1 ATOM 687 O O . THR A 1 96 ? -17.971 -0.445 21.502 1.00 58.53 ? 975 THR A O 1 ATOM 688 C CB . THR A 1 96 ? -17.409 -2.815 19.489 1.00 69.63 ? 975 THR A CB 1 ATOM 689 O OG1 . THR A 1 96 ? -18.375 -1.970 18.878 1.00 80.61 ? 975 THR A OG1 1 ATOM 690 C CG2 . THR A 1 96 ? -17.541 -4.249 18.947 1.00 70.12 ? 975 THR A CG2 1 ATOM 691 N N . ALA A 1 97 ? -15.985 -1.386 22.121 1.00 50.89 ? 976 ALA A N 1 ATOM 692 C CA . ALA A 1 97 ? -15.340 -0.176 22.621 1.00 46.98 ? 976 ALA A CA 1 ATOM 693 C C . ALA A 1 97 ? -14.334 0.215 21.569 1.00 52.85 ? 976 ALA A C 1 ATOM 694 O O . ALA A 1 97 ? -13.831 -0.658 20.849 1.00 55.64 ? 976 ALA A O 1 ATOM 695 C CB . ALA A 1 97 ? -14.642 -0.452 23.918 1.00 46.66 ? 976 ALA A CB 1 ATOM 696 N N . HIS A 1 98 ? -14.094 1.517 21.404 1.00 46.34 ? 977 HIS A N 1 ATOM 697 C CA . HIS A 1 98 ? -13.133 1.994 20.420 1.00 43.28 ? 977 HIS A CA 1 ATOM 698 C C . HIS A 1 98 ? -12.080 2.814 21.119 1.00 49.58 ? 977 HIS A C 1 ATOM 699 O O . HIS A 1 98 ? -12.374 3.525 22.110 1.00 47.27 ? 977 HIS A O 1 ATOM 700 C CB . HIS A 1 98 ? -13.821 2.824 19.383 1.00 44.12 ? 977 HIS A CB 1 ATOM 701 C CG . HIS A 1 98 ? -14.706 2.018 18.500 1.00 50.12 ? 977 HIS A CG 1 ATOM 702 N ND1 . HIS A 1 98 ? -16.006 1.725 18.852 1.00 54.04 ? 977 HIS A ND1 1 ATOM 703 C CD2 . HIS A 1 98 ? -14.453 1.487 17.288 1.00 52.49 ? 977 HIS A CD2 1 ATOM 704 C CE1 . HIS A 1 98 ? -16.498 1.023 17.845 1.00 55.02 ? 977 HIS A CE1 1 ATOM 705 N NE2 . HIS A 1 98 ? -15.600 0.854 16.887 1.00 54.50 ? 977 HIS A NE2 1 ATOM 706 N N . GLY A 1 99 ? -10.856 2.736 20.575 1.00 47.99 ? 978 GLY A N 1 ATOM 707 C CA . GLY A 1 99 ? -9.720 3.465 21.110 1.00 46.88 ? 978 GLY A CA 1 ATOM 708 C C . GLY A 1 99 ? -8.654 3.660 20.099 1.00 52.45 ? 978 GLY A C 1 ATOM 709 O O . GLY A 1 99 ? -8.272 2.707 19.435 1.00 55.32 ? 978 GLY A O 1 ATOM 710 N N . ALA A 1 100 ? -8.184 4.898 19.974 1.00 49.69 ? 979 ALA A N 1 ATOM 711 C CA . ALA A 1 100 ? -7.107 5.276 19.050 1.00 49.24 ? 979 ALA A CA 1 ATOM 712 C C . ALA A 1 100 ? -5.881 5.624 19.859 1.00 54.59 ? 979 ALA A C 1 ATOM 713 O O . ALA A 1 100 ? -5.953 6.474 20.778 1.00 55.72 ? 979 ALA A O 1 ATOM 714 C CB . ALA A 1 100 ? -7.510 6.453 18.195 1.00 49.42 ? 979 ALA A CB 1 ATOM 715 N N . THR A 1 101 ? -4.745 4.951 19.533 1.00 49.51 ? 980 THR A N 1 ATOM 716 C CA . THR A 1 101 ? -3.456 5.148 20.189 1.00 47.98 ? 980 THR A CA 1 ATOM 717 C C . THR A 1 101 ? -2.957 6.558 19.895 1.00 51.29 ? 980 THR A C 1 ATOM 718 O O . THR A 1 101 ? -3.314 7.166 18.864 1.00 49.63 ? 980 THR A O 1 ATOM 719 C CB . THR A 1 101 ? -2.436 4.131 19.702 1.00 56.84 ? 980 THR A CB 1 ATOM 720 O OG1 . THR A 1 101 ? -2.430 4.106 18.271 1.00 55.88 ? 980 THR A OG1 1 ATOM 721 C CG2 . THR A 1 101 ? -2.656 2.766 20.270 1.00 57.17 ? 980 THR A CG2 1 ATOM 722 N N . PHE A 1 102 ? -2.105 7.068 20.799 1.00 49.71 ? 981 PHE A N 1 ATOM 723 C CA . PHE A 1 102 ? -1.495 8.371 20.638 1.00 50.95 ? 981 PHE A CA 1 ATOM 724 C C . PHE A 1 102 ? -0.556 8.384 19.438 1.00 57.03 ? 981 PHE A C 1 ATOM 725 O O . PHE A 1 102 ? -0.183 7.325 18.918 1.00 56.58 ? 981 PHE A O 1 ATOM 726 C CB . PHE A 1 102 ? -0.703 8.746 21.909 1.00 55.21 ? 981 PHE A CB 1 ATOM 727 C CG . PHE A 1 102 ? -1.513 8.949 23.176 1.00 56.39 ? 981 PHE A CG 1 ATOM 728 C CD1 . PHE A 1 102 ? -2.874 9.273 23.117 1.00 56.12 ? 981 PHE A CD1 1 ATOM 729 C CD2 . PHE A 1 102 ? -0.905 8.881 24.426 1.00 58.42 ? 981 PHE A CD2 1 ATOM 730 C CE1 . PHE A 1 102 ? -3.610 9.488 24.286 1.00 56.26 ? 981 PHE A CE1 1 ATOM 731 C CE2 . PHE A 1 102 ? -1.648 9.088 25.595 1.00 60.15 ? 981 PHE A CE2 1 ATOM 732 C CZ . PHE A 1 102 ? -2.989 9.387 25.514 1.00 56.92 ? 981 PHE A CZ 1 ATOM 733 N N . GLU A 1 103 ? -0.186 9.602 18.986 1.00 54.78 ? 982 GLU A N 1 ATOM 734 C CA . GLU A 1 103 ? 0.793 9.766 17.937 1.00 55.54 ? 982 GLU A CA 1 ATOM 735 C C . GLU A 1 103 ? 2.156 9.463 18.531 1.00 59.92 ? 982 GLU A C 1 ATOM 736 O O . GLU A 1 103 ? 2.298 9.358 19.751 1.00 60.05 ? 982 GLU A O 1 ATOM 737 C CB . GLU A 1 103 ? 0.804 11.197 17.383 1.00 57.63 ? 982 GLU A CB 1 ATOM 738 C CG . GLU A 1 103 ? -0.427 11.569 16.600 1.00 67.03 ? 982 GLU A CG 1 ATOM 739 C CD . GLU A 1 103 ? -0.318 12.886 15.862 1.00 85.95 ? 982 GLU A CD 1 ATOM 740 O OE1 . GLU A 1 103 ? 0.716 13.582 15.998 1.00 78.05 ? 982 GLU A OE1 1 ATOM 741 O OE2 . GLU A 1 103 ? -1.264 13.195 15.101 1.00 91.67 ? 982 GLU A OE2 1 ATOM 742 N N . LEU A 1 104 ? 3.155 9.332 17.662 1.00 64.69 ? 983 LEU A N 1 ATOM 743 C CA . LEU A 1 104 ? 4.545 9.089 18.026 1.00 64.99 ? 983 LEU A CA 1 ATOM 744 C C . LEU A 1 104 ? 5.338 9.814 16.952 1.00 63.86 ? 983 LEU A C 1 ATOM 745 O O . LEU A 1 104 ? 4.802 10.057 15.881 1.00 59.69 ? 983 LEU A O 1 ATOM 746 C CB . LEU A 1 104 ? 4.830 7.564 18.003 1.00 65.85 ? 983 LEU A CB 1 ATOM 747 C CG . LEU A 1 104 ? 6.272 7.095 18.289 1.00 71.46 ? 983 LEU A CG 1 ATOM 748 C CD1 . LEU A 1 104 ? 6.555 7.100 19.744 1.00 74.65 ? 983 LEU A CD1 1 ATOM 749 C CD2 . LEU A 1 104 ? 6.528 5.724 17.690 1.00 73.46 ? 983 LEU A CD2 1 ATOM 750 N N . VAL A 1 105 ? 6.594 10.187 17.243 1.00 60.73 ? 984 VAL A N 1 ATOM 751 C CA . VAL A 1 105 ? 7.485 10.829 16.272 1.00 56.79 ? 984 VAL A CA 1 ATOM 752 C C . VAL A 1 105 ? 7.564 9.946 15.027 1.00 59.12 ? 984 VAL A C 1 ATOM 753 O O . VAL A 1 105 ? 7.475 8.715 15.138 1.00 61.30 ? 984 VAL A O 1 ATOM 754 C CB . VAL A 1 105 ? 8.926 11.095 16.832 1.00 59.87 ? 984 VAL A CB 1 ATOM 755 C CG1 . VAL A 1 105 ? 8.932 12.272 17.776 1.00 61.61 ? 984 VAL A CG1 1 ATOM 756 C CG2 . VAL A 1 105 ? 9.529 9.865 17.490 1.00 61.59 ? 984 VAL A CG2 1 ATOM 757 N N . PRO A 1 106 ? 7.773 10.519 13.836 1.00 51.49 ? 985 PRO A N 1 ATOM 758 C CA . PRO A 1 106 ? 7.940 9.652 12.657 1.00 49.28 ? 985 PRO A CA 1 ATOM 759 C C . PRO A 1 106 ? 9.075 8.650 12.924 1.00 58.68 ? 985 PRO A C 1 ATOM 760 O O . PRO A 1 106 ? 10.036 8.983 13.635 1.00 63.43 ? 985 PRO A O 1 ATOM 761 C CB . PRO A 1 106 ? 8.248 10.642 11.537 1.00 47.37 ? 985 PRO A CB 1 ATOM 762 C CG . PRO A 1 106 ? 7.689 11.938 12.020 1.00 50.82 ? 985 PRO A CG 1 ATOM 763 C CD . PRO A 1 106 ? 7.893 11.948 13.488 1.00 50.18 ? 985 PRO A CD 1 ATOM 764 N N . THR A 1 107 ? 8.918 7.399 12.498 1.00 54.92 ? 986 THR A N 1 ATOM 765 C CA . THR A 1 107 ? 9.992 6.414 12.737 1.00 57.78 ? 986 THR A CA 1 ATOM 766 C C . THR A 1 107 ? 10.621 5.948 11.432 1.00 61.91 ? 986 THR A C 1 ATOM 767 O O . THR A 1 107 ? 11.333 4.954 11.405 1.00 63.78 ? 986 THR A O 1 ATOM 768 C CB . THR A 1 107 ? 9.525 5.276 13.641 1.00 57.79 ? 986 THR A CB 1 ATOM 769 O OG1 . THR A 1 107 ? 8.369 4.696 13.079 1.00 60.45 ? 986 THR A OG1 1 ATOM 770 C CG2 . THR A 1 107 ? 9.238 5.740 15.047 1.00 52.79 ? 986 THR A CG2 1 ATOM 771 N N . SER A 1 108 ? 10.314 6.663 10.338 1.00 56.51 ? 987 SER A N 1 ATOM 772 C CA . SER A 1 108 ? 10.781 6.361 9.001 1.00 56.69 ? 987 SER A CA 1 ATOM 773 C C . SER A 1 108 ? 11.050 7.698 8.266 1.00 59.58 ? 987 SER A C 1 ATOM 774 O O . SER A 1 108 ? 10.475 8.741 8.625 1.00 58.22 ? 987 SER A O 1 ATOM 775 C CB . SER A 1 108 ? 9.773 5.465 8.279 1.00 62.39 ? 987 SER A CB 1 ATOM 776 O OG . SER A 1 108 ? 8.989 6.067 7.256 1.00 75.18 ? 987 SER A OG 1 ATOM 777 N N . PRO A 1 109 ? 11.973 7.728 7.287 1.00 54.55 ? 988 PRO A N 1 ATOM 778 C CA . PRO A 1 109 ? 12.265 9.008 6.632 1.00 51.44 ? 988 PRO A CA 1 ATOM 779 C C . PRO A 1 109 ? 11.298 9.310 5.502 1.00 56.12 ? 988 PRO A C 1 ATOM 780 O O . PRO A 1 109 ? 10.644 8.373 4.992 1.00 57.04 ? 988 PRO A O 1 ATOM 781 C CB . PRO A 1 109 ? 13.672 8.783 6.067 1.00 54.54 ? 988 PRO A CB 1 ATOM 782 C CG . PRO A 1 109 ? 13.780 7.343 5.860 1.00 60.39 ? 988 PRO A CG 1 ATOM 783 C CD . PRO A 1 109 ? 12.808 6.636 6.737 1.00 56.97 ? 988 PRO A CD 1 ATOM 784 N N . PRO A 1 110 ? 11.252 10.587 5.014 1.00 51.60 ? 989 PRO A N 1 ATOM 785 C CA . PRO A 1 110 ? 10.418 10.864 3.841 1.00 50.71 ? 989 PRO A CA 1 ATOM 786 C C . PRO A 1 110 ? 10.934 10.005 2.707 1.00 59.18 ? 989 PRO A C 1 ATOM 787 O O . PRO A 1 110 ? 12.143 9.858 2.555 1.00 62.50 ? 989 PRO A O 1 ATOM 788 C CB . PRO A 1 110 ? 10.631 12.356 3.595 1.00 51.00 ? 989 PRO A CB 1 ATOM 789 C CG . PRO A 1 110 ? 11.102 12.909 4.924 1.00 53.70 ? 989 PRO A CG 1 ATOM 790 C CD . PRO A 1 110 ? 11.934 11.812 5.491 1.00 51.39 ? 989 PRO A CD 1 ATOM 791 N N . LYS A 1 111 ? 10.012 9.320 2.020 1.00 57.59 ? 990 LYS A N 1 ATOM 792 C CA . LYS A 1 111 ? 10.268 8.406 0.906 1.00 58.10 ? 990 LYS A CA 1 ATOM 793 C C . LYS A 1 111 ? 10.495 9.166 -0.420 1.00 63.84 ? 990 LYS A C 1 ATOM 794 O O . LYS A 1 111 ? 10.096 10.328 -0.565 1.00 60.43 ? 990 LYS A O 1 ATOM 795 C CB . LYS A 1 111 ? 9.029 7.520 0.701 1.00 58.36 ? 990 LYS A CB 1 ATOM 796 C CG . LYS A 1 111 ? 8.805 6.461 1.705 1.00 58.97 ? 990 LYS A CG 1 ATOM 797 C CD . LYS A 1 111 ? 7.354 5.954 1.647 1.00 73.48 ? 990 LYS A CD 1 ATOM 798 C CE . LYS A 1 111 ? 7.100 4.839 0.651 1.00 91.67 ? 990 LYS A CE 1 ATOM 799 N NZ . LYS A 1 111 ? 7.758 3.553 1.022 1.00 104.39 ? 990 LYS A NZ 1 ATOM 800 N N . ASP A 1 112 ? 11.066 8.436 -1.409 1.00 65.07 ? 991 ASP A N 1 ATOM 801 C CA . ASP A 1 112 ? 11.255 8.815 -2.798 1.00 67.97 ? 991 ASP A CA 1 ATOM 802 C C . ASP A 1 112 ? 11.775 10.244 -3.044 1.00 70.28 ? 991 ASP A C 1 ATOM 803 O O . ASP A 1 112 ? 11.287 10.932 -3.957 1.00 70.54 ? 991 ASP A O 1 ATOM 804 C CB . ASP A 1 112 ? 9.968 8.519 -3.618 1.00 71.91 ? 991 ASP A CB 1 ATOM 805 C CG . ASP A 1 112 ? 9.268 7.186 -3.333 1.00 93.19 ? 991 ASP A CG 1 ATOM 806 O OD1 . ASP A 1 112 ? 9.957 6.117 -3.357 1.00 97.83 ? 991 ASP A OD1 1 ATOM 807 O OD2 . ASP A 1 112 ? 8.030 7.200 -3.115 1.00 99.65 ? 991 ASP A OD2 1 ATOM 808 N N . VAL A 1 113 ? 12.799 10.662 -2.268 1.00 63.70 ? 992 VAL A N 1 ATOM 809 C CA . VAL A 1 113 ? 13.440 11.975 -2.396 1.00 61.16 ? 992 VAL A CA 1 ATOM 810 C C . VAL A 1 113 ? 14.156 12.061 -3.753 1.00 70.48 ? 992 VAL A C 1 ATOM 811 O O . VAL A 1 113 ? 14.913 11.148 -4.116 1.00 74.55 ? 992 VAL A O 1 ATOM 812 C CB . VAL A 1 113 ? 14.412 12.290 -1.229 1.00 63.14 ? 992 VAL A CB 1 ATOM 813 C CG1 . VAL A 1 113 ? 15.020 13.669 -1.376 1.00 62.54 ? 992 VAL A CG1 1 ATOM 814 C CG2 . VAL A 1 113 ? 13.744 12.156 0.125 1.00 60.39 ? 992 VAL A CG2 1 ATOM 815 N N . THR A 1 114 ? 13.868 13.139 -4.513 1.00 66.72 ? 993 THR A N 1 ATOM 816 C CA . THR A 1 114 ? 14.452 13.448 -5.828 1.00 69.89 ? 993 THR A CA 1 ATOM 817 C C . THR A 1 114 ? 14.751 14.935 -5.917 1.00 75.83 ? 993 THR A C 1 ATOM 818 O O . THR A 1 114 ? 14.062 15.747 -5.298 1.00 74.75 ? 993 THR A O 1 ATOM 819 C CB . THR A 1 114 ? 13.539 13.024 -7.005 1.00 77.30 ? 993 THR A CB 1 ATOM 820 O OG1 . THR A 1 114 ? 12.288 13.710 -6.946 1.00 71.23 ? 993 THR A OG1 1 ATOM 821 C CG2 . THR A 1 114 ? 13.331 11.515 -7.096 1.00 82.38 ? 993 THR A CG2 1 ATOM 822 N N . VAL A 1 115 ? 15.784 15.291 -6.690 1.00 75.47 ? 994 VAL A N 1 ATOM 823 C CA . VAL A 1 115 ? 16.199 16.671 -6.952 1.00 74.39 ? 994 VAL A CA 1 ATOM 824 C C . VAL A 1 115 ? 16.323 16.887 -8.484 1.00 83.88 ? 994 VAL A C 1 ATOM 825 O O . VAL A 1 115 ? 16.960 16.096 -9.199 1.00 87.98 ? 994 VAL A O 1 ATOM 826 C CB . VAL A 1 115 ? 17.497 17.074 -6.206 1.00 76.37 ? 994 VAL A CB 1 ATOM 827 C CG1 . VAL A 1 115 ? 17.803 18.556 -6.396 1.00 76.31 ? 994 VAL A CG1 1 ATOM 828 C CG2 . VAL A 1 115 ? 17.421 16.732 -4.730 1.00 72.65 ? 994 VAL A CG2 1 ATOM 829 N N . VAL A 1 116 ? 15.694 17.951 -8.976 1.00 79.19 ? 995 VAL A N 1 ATOM 830 C CA . VAL A 1 116 ? 15.748 18.338 -10.381 1.00 81.95 ? 995 VAL A CA 1 ATOM 831 C C . VAL A 1 116 ? 16.086 19.806 -10.457 1.00 84.14 ? 995 VAL A C 1 ATOM 832 O O . VAL A 1 116 ? 15.847 20.539 -9.501 1.00 79.52 ? 995 VAL A O 1 ATOM 833 C CB . VAL A 1 116 ? 14.441 18.011 -11.173 1.00 88.09 ? 995 VAL A CB 1 ATOM 834 C CG1 . VAL A 1 116 ? 14.206 16.501 -11.268 1.00 89.51 ? 995 VAL A CG1 1 ATOM 835 C CG2 . VAL A 1 116 ? 13.214 18.727 -10.593 1.00 85.06 ? 995 VAL A CG2 1 ATOM 836 N N . SER A 1 117 ? 16.624 20.249 -11.599 1.00 85.55 ? 996 SER A N 1 ATOM 837 C CA . SER A 1 117 ? 16.887 21.662 -11.812 1.00 85.20 ? 996 SER A CA 1 ATOM 838 C C . SER A 1 117 ? 15.600 22.270 -12.316 1.00 88.62 ? 996 SER A C 1 ATOM 839 O O . SER A 1 117 ? 14.898 21.631 -13.098 1.00 89.57 ? 996 SER A O 1 ATOM 840 C CB . SER A 1 117 ? 18.014 21.861 -12.813 1.00 90.06 ? 996 SER A CB 1 ATOM 841 O OG . SER A 1 117 ? 19.129 22.461 -12.174 1.00 93.07 ? 996 SER A OG 1 ATOM 842 N N . LYS A 1 118 ? 15.245 23.459 -11.805 1.00 84.87 ? 997 LYS A N 1 ATOM 843 C CA . LYS A 1 118 ? 14.048 24.190 -12.236 1.00 86.61 ? 997 LYS A CA 1 ATOM 844 C C . LYS A 1 118 ? 14.206 24.628 -13.707 1.00 95.19 ? 997 LYS A C 1 ATOM 845 O O . LYS A 1 118 ? 15.298 25.049 -14.121 1.00 96.65 ? 997 LYS A O 1 ATOM 846 C CB . LYS A 1 118 ? 13.776 25.396 -11.306 1.00 87.26 ? 997 LYS A CB 1 ATOM 847 C CG . LYS A 1 118 ? 12.401 26.035 -11.497 1.00 89.84 ? 997 LYS A CG 1 ATOM 848 C CD . LYS A 1 118 ? 12.346 27.410 -10.887 1.00 98.36 ? 997 LYS A CD 1 ATOM 849 C CE . LYS A 1 118 ? 10.980 28.033 -11.019 1.00 108.91 ? 997 LYS A CE 1 ATOM 850 N NZ . LYS A 1 118 ? 10.842 29.245 -10.166 1.00 120.04 ? 997 LYS A NZ 1 ATOM 851 N N . GLU A 1 119 ? 13.128 24.473 -14.494 1.00 95.38 ? 998 GLU A N 1 ATOM 852 C CA . GLU A 1 119 ? 13.079 24.823 -15.922 1.00 102.46 ? 998 GLU A CA 1 ATOM 853 C C . GLU A 1 119 ? 13.534 26.279 -16.167 1.00 108.44 ? 998 GLU A C 1 ATOM 854 O O . GLU A 1 119 ? 12.953 27.210 -15.601 1.00 106.52 ? 998 GLU A O 1 ATOM 855 C CB . GLU A 1 119 ? 11.667 24.576 -16.493 1.00 107.20 ? 998 GLU A CB 1 ATOM 856 C CG . GLU A 1 119 ? 11.643 24.181 -17.963 1.00 130.47 ? 998 GLU A CG 1 ATOM 857 C CD . GLU A 1 119 ? 12.259 22.829 -18.273 1.00 170.45 ? 998 GLU A CD 1 ATOM 858 O OE1 . GLU A 1 119 ? 11.667 21.799 -17.874 1.00 171.86 ? 998 GLU A OE1 1 ATOM 859 O OE2 . GLU A 1 119 ? 13.337 22.801 -18.913 1.00 173.08 ? 998 GLU A OE2 1 ATOM 860 N N . GLY A 1 120 ? 14.615 26.431 -16.940 1.00 108.08 ? 999 GLY A N 1 ATOM 861 C CA . GLY A 1 120 ? 15.221 27.715 -17.284 1.00 110.76 ? 999 GLY A CA 1 ATOM 862 C C . GLY A 1 120 ? 15.887 28.481 -16.151 1.00 112.21 ? 999 GLY A C 1 ATOM 863 O O . GLY A 1 120 ? 16.235 29.648 -16.343 1.00 114.97 ? 999 GLY A O 1 ATOM 864 N N . LYS A 1 121 ? 16.066 27.852 -14.963 1.00 103.89 ? 1000 LYS A N 1 ATOM 865 C CA . LYS A 1 121 ? 16.698 28.468 -13.783 1.00 101.18 ? 1000 LYS A CA 1 ATOM 866 C C . LYS A 1 121 ? 17.790 27.534 -13.232 1.00 102.39 ? 1000 LYS A C 1 ATOM 867 O O . LYS A 1 121 ? 17.504 26.678 -12.400 1.00 97.55 ? 1000 LYS A O 1 ATOM 868 C CB . LYS A 1 121 ? 15.652 28.834 -12.699 1.00 100.28 ? 1000 LYS A CB 1 ATOM 869 C CG . LYS A 1 121 ? 14.651 29.929 -13.084 1.00 117.05 ? 1000 LYS A CG 1 ATOM 870 C CD . LYS A 1 121 ? 15.245 31.335 -13.121 1.00 135.28 ? 1000 LYS A CD 1 ATOM 871 C CE . LYS A 1 121 ? 14.186 32.348 -13.505 1.00 157.43 ? 1000 LYS A CE 1 ATOM 872 N NZ . LYS A 1 121 ? 14.766 33.663 -13.914 1.00 177.70 ? 1000 LYS A NZ 1 ATOM 873 N N . PRO A 1 122 ? 19.038 27.650 -13.721 1.00 102.50 ? 1001 PRO A N 1 ATOM 874 C CA . PRO A 1 122 ? 20.105 26.724 -13.270 1.00 101.30 ? 1001 PRO A CA 1 ATOM 875 C C . PRO A 1 122 ? 20.513 26.810 -11.796 1.00 102.86 ? 1001 PRO A C 1 ATOM 876 O O . PRO A 1 122 ? 20.862 25.785 -11.194 1.00 100.15 ? 1001 PRO A O 1 ATOM 877 C CB . PRO A 1 122 ? 21.277 27.046 -14.206 1.00 108.58 ? 1001 PRO A CB 1 ATOM 878 C CG . PRO A 1 122 ? 21.012 28.438 -14.679 1.00 115.52 ? 1001 PRO A CG 1 ATOM 879 C CD . PRO A 1 122 ? 19.528 28.588 -14.752 1.00 109.25 ? 1001 PRO A CD 1 ATOM 880 N N . ARG A 1 123 ? 20.454 28.025 -11.211 1.00 100.82 ? 1002 ARG A N 1 ATOM 881 C CA . ARG A 1 123 ? 20.795 28.282 -9.802 1.00 98.69 ? 1002 ARG A CA 1 ATOM 882 C C . ARG A 1 123 ? 19.672 27.836 -8.833 1.00 98.87 ? 1002 ARG A C 1 ATOM 883 O O . ARG A 1 123 ? 19.835 27.891 -7.608 1.00 96.59 ? 1002 ARG A O 1 ATOM 884 C CB . ARG A 1 123 ? 21.144 29.769 -9.597 1.00 102.90 ? 1002 ARG A CB 1 ATOM 885 C CG . ARG A 1 123 ? 22.432 30.201 -10.274 1.00 116.42 ? 1002 ARG A CG 1 ATOM 886 C CD . ARG A 1 123 ? 22.987 31.500 -9.720 1.00 132.94 ? 1002 ARG A CD 1 ATOM 887 N NE . ARG A 1 123 ? 24.396 31.664 -10.082 1.00 160.22 ? 1002 ARG A NE 1 ATOM 888 C CZ . ARG A 1 123 ? 25.428 31.384 -9.288 1.00 173.42 ? 1002 ARG A CZ 1 ATOM 889 N NH1 . ARG A 1 123 ? 25.223 30.933 -8.054 1.00 150.34 ? 1002 ARG A NH1 1 ATOM 890 N NH2 . ARG A 1 123 ? 26.673 31.573 -9.716 1.00 162.53 ? 1002 ARG A NH2 1 ATOM 891 N N . THR A 1 124 ? 18.536 27.388 -9.400 1.00 95.18 ? 1003 THR A N 1 ATOM 892 C CA . THR A 1 124 ? 17.353 26.916 -8.675 1.00 91.10 ? 1003 THR A CA 1 ATOM 893 C C . THR A 1 124 ? 17.172 25.414 -8.875 1.00 90.81 ? 1003 THR A C 1 ATOM 894 O O . THR A 1 124 ? 17.314 24.906 -9.995 1.00 91.85 ? 1003 THR A O 1 ATOM 895 C CB . THR A 1 124 ? 16.088 27.685 -9.131 1.00 101.35 ? 1003 THR A CB 1 ATOM 896 O OG1 . THR A 1 124 ? 16.389 29.073 -9.311 1.00 109.95 ? 1003 THR A OG1 1 ATOM 897 C CG2 . THR A 1 124 ? 14.941 27.538 -8.174 1.00 92.90 ? 1003 THR A CG2 1 ATOM 898 N N . ILE A 1 125 ? 16.875 24.713 -7.770 1.00 82.48 ? 1004 ILE A N 1 ATOM 899 C CA . ILE A 1 125 ? 16.588 23.278 -7.740 1.00 79.47 ? 1004 ILE A CA 1 ATOM 900 C C . ILE A 1 125 ? 15.226 23.021 -7.081 1.00 78.58 ? 1004 ILE A C 1 ATOM 901 O O . ILE A 1 125 ? 14.779 23.802 -6.233 1.00 77.27 ? 1004 ILE A O 1 ATOM 902 C CB . ILE A 1 125 ? 17.711 22.392 -7.105 1.00 81.89 ? 1004 ILE A CB 1 ATOM 903 C CG1 . ILE A 1 125 ? 17.863 22.593 -5.574 1.00 78.93 ? 1004 ILE A CG1 1 ATOM 904 C CG2 . ILE A 1 125 ? 19.040 22.503 -7.846 1.00 87.12 ? 1004 ILE A CG2 1 ATOM 905 C CD1 . ILE A 1 125 ? 17.023 21.763 -4.737 1.00 67.74 ? 1004 ILE A CD1 1 ATOM 906 N N . ILE A 1 126 ? 14.595 21.897 -7.442 1.00 72.97 ? 1005 ILE A N 1 ATOM 907 C CA . ILE A 1 126 ? 13.326 21.474 -6.858 1.00 69.27 ? 1005 ILE A CA 1 ATOM 908 C C . ILE A 1 126 ? 13.475 20.110 -6.159 1.00 70.15 ? 1005 ILE A C 1 ATOM 909 O O . ILE A 1 126 ? 13.858 19.118 -6.795 1.00 73.59 ? 1005 ILE A O 1 ATOM 910 C CB . ILE A 1 126 ? 12.175 21.462 -7.871 1.00 72.65 ? 1005 ILE A CB 1 ATOM 911 C CG1 . ILE A 1 126 ? 12.062 22.783 -8.631 1.00 74.55 ? 1005 ILE A CG1 1 ATOM 912 C CG2 . ILE A 1 126 ? 10.877 21.126 -7.155 1.00 70.10 ? 1005 ILE A CG2 1 ATOM 913 C CD1 . ILE A 1 126 ? 11.590 22.569 -10.023 1.00 77.62 ? 1005 ILE A CD1 1 ATOM 914 N N . VAL A 1 127 ? 13.157 20.070 -4.866 1.00 60.63 ? 1006 VAL A N 1 ATOM 915 C CA . VAL A 1 127 ? 13.173 18.851 -4.074 1.00 57.62 ? 1006 VAL A CA 1 ATOM 916 C C . VAL A 1 127 ? 11.756 18.280 -4.082 1.00 63.13 ? 1006 VAL A C 1 ATOM 917 O O . VAL A 1 127 ? 10.781 19.022 -3.930 1.00 63.72 ? 1006 VAL A O 1 ATOM 918 C CB . VAL A 1 127 ? 13.712 19.061 -2.640 1.00 58.50 ? 1006 VAL A CB 1 ATOM 919 C CG1 . VAL A 1 127 ? 13.983 17.728 -1.963 1.00 57.00 ? 1006 VAL A CG1 1 ATOM 920 C CG2 . VAL A 1 127 ? 14.967 19.907 -2.639 1.00 59.71 ? 1006 VAL A CG2 1 ATOM 921 N N . ASN A 1 128 ? 11.643 16.975 -4.322 1.00 61.20 ? 1007 ASN A N 1 ATOM 922 C CA . ASN A 1 128 ? 10.366 16.258 -4.348 1.00 61.22 ? 1007 ASN A CA 1 ATOM 923 C C . ASN A 1 128 ? 10.503 14.999 -3.538 1.00 64.15 ? 1007 ASN A C 1 ATOM 924 O O . ASN A 1 128 ? 11.512 14.309 -3.634 1.00 66.33 ? 1007 ASN A O 1 ATOM 925 C CB . ASN A 1 128 ? 9.942 15.935 -5.763 1.00 65.71 ? 1007 ASN A CB 1 ATOM 926 C CG . ASN A 1 128 ? 9.566 17.161 -6.549 1.00 81.03 ? 1007 ASN A CG 1 ATOM 927 O OD1 . ASN A 1 128 ? 8.579 17.826 -6.251 1.00 67.98 ? 1007 ASN A OD1 1 ATOM 928 N ND2 . ASN A 1 128 ? 10.364 17.501 -7.557 1.00 73.79 ? 1007 ASN A ND2 1 ATOM 929 N N . TRP A 1 129 ? 9.500 14.707 -2.731 1.00 58.09 ? 1008 TRP A N 1 ATOM 930 C CA . TRP A 1 129 ? 9.508 13.550 -1.861 1.00 56.56 ? 1008 TRP A CA 1 ATOM 931 C C . TRP A 1 129 ? 8.067 13.083 -1.582 1.00 58.31 ? 1008 TRP A C 1 ATOM 932 O O . TRP A 1 129 ? 7.103 13.687 -2.041 1.00 57.93 ? 1008 TRP A O 1 ATOM 933 C CB . TRP A 1 129 ? 10.270 13.908 -0.546 1.00 53.54 ? 1008 TRP A CB 1 ATOM 934 C CG . TRP A 1 129 ? 9.600 14.982 0.282 1.00 52.43 ? 1008 TRP A CG 1 ATOM 935 C CD1 . TRP A 1 129 ? 8.678 14.806 1.271 1.00 54.21 ? 1008 TRP A CD1 1 ATOM 936 C CD2 . TRP A 1 129 ? 9.753 16.400 0.125 1.00 52.69 ? 1008 TRP A CD2 1 ATOM 937 N NE1 . TRP A 1 129 ? 8.279 16.025 1.770 1.00 52.86 ? 1008 TRP A NE1 1 ATOM 938 C CE2 . TRP A 1 129 ? 8.924 17.021 1.085 1.00 54.72 ? 1008 TRP A CE2 1 ATOM 939 C CE3 . TRP A 1 129 ? 10.511 17.209 -0.740 1.00 54.55 ? 1008 TRP A CE3 1 ATOM 940 C CZ2 . TRP A 1 129 ? 8.845 18.413 1.217 1.00 54.03 ? 1008 TRP A CZ2 1 ATOM 941 C CZ3 . TRP A 1 129 ? 10.471 18.584 -0.568 1.00 55.94 ? 1008 TRP A CZ3 1 ATOM 942 C CH2 . TRP A 1 129 ? 9.630 19.172 0.388 1.00 55.50 ? 1008 TRP A CH2 1 ATOM 943 N N . GLN A 1 130 ? 7.947 12.006 -0.819 1.00 56.09 ? 1009 GLN A N 1 ATOM 944 C CA . GLN A 1 130 ? 6.690 11.406 -0.402 1.00 55.90 ? 1009 GLN A CA 1 ATOM 945 C C . GLN A 1 130 ? 6.636 11.333 1.112 1.00 56.55 ? 1009 GLN A C 1 ATOM 946 O O . GLN A 1 130 ? 7.694 11.267 1.747 1.00 59.28 ? 1009 GLN A O 1 ATOM 947 C CB . GLN A 1 130 ? 6.557 10.006 -1.022 1.00 60.19 ? 1009 GLN A CB 1 ATOM 948 C CG . GLN A 1 130 ? 6.089 10.030 -2.470 1.00 61.44 ? 1009 GLN A CG 1 ATOM 949 C CD . GLN A 1 130 ? 4.679 10.560 -2.623 1.00 81.31 ? 1009 GLN A CD 1 ATOM 950 O OE1 . GLN A 1 130 ? 3.712 10.072 -2.005 1.00 80.30 ? 1009 GLN A OE1 1 ATOM 951 N NE2 . GLN A 1 130 ? 4.531 11.562 -3.467 1.00 67.03 ? 1009 GLN A NE2 1 ATOM 952 N N . PRO A 1 131 ? 5.451 11.337 1.751 1.00 49.93 ? 1010 PRO A N 1 ATOM 953 C CA . PRO A 1 131 ? 5.432 11.254 3.223 1.00 48.57 ? 1010 PRO A CA 1 ATOM 954 C C . PRO A 1 131 ? 6.079 9.968 3.739 1.00 54.51 ? 1010 PRO A C 1 ATOM 955 O O . PRO A 1 131 ? 6.059 8.953 3.034 1.00 55.34 ? 1010 PRO A O 1 ATOM 956 C CB . PRO A 1 131 ? 3.928 11.291 3.564 1.00 49.81 ? 1010 PRO A CB 1 ATOM 957 C CG . PRO A 1 131 ? 3.274 11.805 2.376 1.00 54.21 ? 1010 PRO A CG 1 ATOM 958 C CD . PRO A 1 131 ? 4.072 11.364 1.217 1.00 51.35 ? 1010 PRO A CD 1 ATOM 959 N N . PRO A 1 132 ? 6.620 9.958 4.967 1.00 52.27 ? 1011 PRO A N 1 ATOM 960 C CA . PRO A 1 132 ? 7.183 8.708 5.484 1.00 53.96 ? 1011 PRO A CA 1 ATOM 961 C C . PRO A 1 132 ? 6.156 7.586 5.591 1.00 61.74 ? 1011 PRO A C 1 ATOM 962 O O . PRO A 1 132 ? 4.975 7.856 5.764 1.00 63.48 ? 1011 PRO A O 1 ATOM 963 C CB . PRO A 1 132 ? 7.699 9.104 6.872 1.00 54.34 ? 1011 PRO A CB 1 ATOM 964 C CG . PRO A 1 132 ? 6.979 10.313 7.243 1.00 56.63 ? 1011 PRO A CG 1 ATOM 965 C CD . PRO A 1 132 ? 6.734 11.045 5.964 1.00 52.37 ? 1011 PRO A CD 1 ATOM 966 N N . SER A 1 133 ? 6.606 6.332 5.484 1.00 60.97 ? 1012 SER A N 1 ATOM 967 C CA . SER A 1 133 ? 5.754 5.156 5.674 1.00 62.08 ? 1012 SER A CA 1 ATOM 968 C C . SER A 1 133 ? 5.269 5.088 7.146 1.00 65.50 ? 1012 SER A C 1 ATOM 969 O O . SER A 1 133 ? 4.127 4.738 7.398 1.00 67.25 ? 1012 SER A O 1 ATOM 970 C CB . SER A 1 133 ? 6.539 3.900 5.338 1.00 67.65 ? 1012 SER A CB 1 ATOM 971 O OG . SER A 1 133 ? 6.653 3.842 3.933 1.00 82.13 ? 1012 SER A OG 1 ATOM 972 N N . GLU A 1 134 ? 6.158 5.403 8.107 1.00 59.69 ? 1013 GLU A N 1 ATOM 973 C CA . GLU A 1 134 ? 5.840 5.388 9.525 1.00 58.27 ? 1013 GLU A CA 1 ATOM 974 C C . GLU A 1 134 ? 5.798 6.844 10.047 1.00 60.66 ? 1013 GLU A C 1 ATOM 975 O O . GLU A 1 134 ? 6.646 7.263 10.842 1.00 62.40 ? 1013 GLU A O 1 ATOM 976 C CB . GLU A 1 134 ? 6.806 4.485 10.316 1.00 61.14 ? 1013 GLU A CB 1 ATOM 977 C CG . GLU A 1 134 ? 6.840 3.051 9.829 1.00 69.77 ? 1013 GLU A CG 1 ATOM 978 C CD . GLU A 1 134 ? 7.948 2.155 10.349 1.00 107.31 ? 1013 GLU A CD 1 ATOM 979 O OE1 . GLU A 1 134 ? 8.836 2.641 11.090 1.00 101.39 ? 1013 GLU A OE1 1 ATOM 980 O OE2 . GLU A 1 134 ? 7.917 0.948 10.016 1.00 126.19 ? 1013 GLU A OE2 1 ATOM 981 N N . ALA A 1 135 ? 4.803 7.615 9.572 1.00 54.15 ? 1014 ALA A N 1 ATOM 982 C CA . ALA A 1 135 ? 4.563 9.005 9.974 1.00 52.20 ? 1014 ALA A CA 1 ATOM 983 C C . ALA A 1 135 ? 4.122 9.077 11.427 1.00 56.40 ? 1014 ALA A C 1 ATOM 984 O O . ALA A 1 135 ? 4.419 10.052 12.119 1.00 57.31 ? 1014 ALA A O 1 ATOM 985 C CB . ALA A 1 135 ? 3.512 9.631 9.068 1.00 52.05 ? 1014 ALA A CB 1 ATOM 986 N N . ASN A 1 136 ? 3.391 8.042 11.871 1.00 52.87 ? 1015 ASN A N 1 ATOM 987 C CA . ASN A 1 136 ? 2.911 7.822 13.238 1.00 54.06 ? 1015 ASN A CA 1 ATOM 988 C C . ASN A 1 136 ? 2.046 8.945 13.793 1.00 57.17 ? 1015 ASN A C 1 ATOM 989 O O . ASN A 1 136 ? 1.840 9.015 14.980 1.00 59.34 ? 1015 ASN A O 1 ATOM 990 C CB . ASN A 1 136 ? 4.073 7.469 14.175 1.00 50.80 ? 1015 ASN A CB 1 ATOM 991 C CG . ASN A 1 136 ? 4.925 6.314 13.747 1.00 60.32 ? 1015 ASN A CG 1 ATOM 992 O OD1 . ASN A 1 136 ? 6.122 6.264 14.075 1.00 59.85 ? 1015 ASN A OD1 1 ATOM 993 N ND2 . ASN A 1 136 ? 4.337 5.346 13.037 1.00 45.08 ? 1015 ASN A ND2 1 ATOM 994 N N . GLY A 1 137 ? 1.544 9.793 12.919 1.00 53.57 ? 1016 GLY A N 1 ATOM 995 C CA . GLY A 1 137 ? 0.707 10.938 13.238 1.00 55.29 ? 1016 GLY A CA 1 ATOM 996 C C . GLY A 1 137 ? 0.611 11.892 12.063 1.00 60.11 ? 1016 GLY A C 1 ATOM 997 O O . GLY A 1 137 ? 1.150 11.613 11.004 1.00 57.86 ? 1016 GLY A O 1 ATOM 998 N N . LYS A 1 138 ? -0.082 13.023 12.229 1.00 60.32 ? 1017 LYS A N 1 ATOM 999 C CA . LYS A 1 138 ? -0.282 14.014 11.169 1.00 58.55 ? 1017 LYS A CA 1 ATOM 1000 C C . LYS A 1 138 ? 0.985 14.796 11.005 1.00 59.89 ? 1017 LYS A C 1 ATOM 1001 O O . LYS A 1 138 ? 1.482 15.374 11.967 1.00 63.10 ? 1017 LYS A O 1 ATOM 1002 C CB . LYS A 1 138 ? -1.500 14.922 11.474 1.00 64.64 ? 1017 LYS A CB 1 ATOM 1003 C CG . LYS A 1 138 ? -1.853 15.924 10.355 1.00 83.12 ? 1017 LYS A CG 1 ATOM 1004 C CD . LYS A 1 138 ? -2.927 16.924 10.819 1.00 95.77 ? 1017 LYS A CD 1 ATOM 1005 C CE . LYS A 1 138 ? -4.029 17.145 9.800 1.00 105.88 ? 1017 LYS A CE 1 ATOM 1006 N NZ . LYS A 1 138 ? -5.290 17.717 10.395 1.00 97.31 ? 1017 LYS A NZ 1 ATOM 1007 N N . ILE A 1 139 ? 1.543 14.772 9.798 1.00 53.43 ? 1018 ILE A N 1 ATOM 1008 C CA . ILE A 1 139 ? 2.785 15.475 9.458 1.00 51.10 ? 1018 ILE A CA 1 ATOM 1009 C C . ILE A 1 139 ? 2.543 16.966 9.499 1.00 59.02 ? 1018 ILE A C 1 ATOM 1010 O O . ILE A 1 139 ? 1.621 17.460 8.842 1.00 60.99 ? 1018 ILE A O 1 ATOM 1011 C CB . ILE A 1 139 ? 3.456 14.959 8.147 1.00 51.26 ? 1018 ILE A CB 1 ATOM 1012 C CG1 . ILE A 1 139 ? 3.833 13.452 8.207 1.00 50.76 ? 1018 ILE A CG1 1 ATOM 1013 C CG2 . ILE A 1 139 ? 4.673 15.758 7.801 1.00 51.75 ? 1018 ILE A CG2 1 ATOM 1014 C CD1 . ILE A 1 139 ? 4.761 12.990 9.479 1.00 59.46 ? 1018 ILE A CD1 1 ATOM 1015 N N . THR A 1 140 ? 3.331 17.666 10.340 1.00 56.90 ? 1019 THR A N 1 ATOM 1016 C CA . THR A 1 140 ? 3.248 19.115 10.543 1.00 59.22 ? 1019 THR A CA 1 ATOM 1017 C C . THR A 1 140 ? 4.297 19.906 9.742 1.00 64.02 ? 1019 THR A C 1 ATOM 1018 O O . THR A 1 140 ? 4.317 21.145 9.761 1.00 68.82 ? 1019 THR A O 1 ATOM 1019 C CB . THR A 1 140 ? 3.300 19.442 12.021 1.00 64.82 ? 1019 THR A CB 1 ATOM 1020 O OG1 . THR A 1 140 ? 4.532 18.961 12.556 1.00 61.79 ? 1019 THR A OG1 1 ATOM 1021 C CG2 . THR A 1 140 ? 2.148 18.862 12.758 1.00 64.02 ? 1019 THR A CG2 1 ATOM 1022 N N . GLY A 1 141 ? 5.172 19.198 9.063 1.00 55.33 ? 1020 GLY A N 1 ATOM 1023 C CA . GLY A 1 141 ? 6.174 19.855 8.253 1.00 54.62 ? 1020 GLY A CA 1 ATOM 1024 C C . GLY A 1 141 ? 7.338 18.959 7.946 1.00 58.55 ? 1020 GLY A C 1 ATOM 1025 O O . GLY A 1 141 ? 7.358 17.795 8.334 1.00 58.51 ? 1020 GLY A O 1 ATOM 1026 N N . TYR A 1 142 ? 8.294 19.499 7.230 1.00 55.99 ? 1021 TYR A N 1 ATOM 1027 C CA . TYR A 1 142 ? 9.521 18.809 6.889 1.00 56.51 ? 1021 TYR A CA 1 ATOM 1028 C C . TYR A 1 142 ? 10.665 19.759 7.073 1.00 64.28 ? 1021 TYR A C 1 ATOM 1029 O O . TYR A 1 142 ? 10.454 20.973 7.184 1.00 67.16 ? 1021 TYR A O 1 ATOM 1030 C CB . TYR A 1 142 ? 9.495 18.330 5.428 1.00 57.08 ? 1021 TYR A CB 1 ATOM 1031 C CG . TYR A 1 142 ? 8.454 17.274 5.164 1.00 59.49 ? 1021 TYR A CG 1 ATOM 1032 C CD1 . TYR A 1 142 ? 8.724 15.930 5.393 1.00 59.98 ? 1021 TYR A CD1 1 ATOM 1033 C CD2 . TYR A 1 142 ? 7.187 17.617 4.696 1.00 62.22 ? 1021 TYR A CD2 1 ATOM 1034 C CE1 . TYR A 1 142 ? 7.764 14.951 5.155 1.00 59.15 ? 1021 TYR A CE1 1 ATOM 1035 C CE2 . TYR A 1 142 ? 6.221 16.645 4.444 1.00 63.16 ? 1021 TYR A CE2 1 ATOM 1036 C CZ . TYR A 1 142 ? 6.515 15.313 4.677 1.00 67.22 ? 1021 TYR A CZ 1 ATOM 1037 O OH . TYR A 1 142 ? 5.562 14.362 4.442 1.00 68.09 ? 1021 TYR A OH 1 ATOM 1038 N N . ILE A 1 143 ? 11.875 19.213 7.123 1.00 60.70 ? 1022 ILE A N 1 ATOM 1039 C CA . ILE A 1 143 ? 13.083 20.010 7.168 1.00 62.88 ? 1022 ILE A CA 1 ATOM 1040 C C . ILE A 1 143 ? 14.056 19.432 6.164 1.00 65.78 ? 1022 ILE A C 1 ATOM 1041 O O . ILE A 1 143 ? 14.447 18.264 6.270 1.00 64.79 ? 1022 ILE A O 1 ATOM 1042 C CB . ILE A 1 143 ? 13.723 20.240 8.573 1.00 68.92 ? 1022 ILE A CB 1 ATOM 1043 C CG1 . ILE A 1 143 ? 12.724 20.909 9.546 1.00 70.33 ? 1022 ILE A CG1 1 ATOM 1044 C CG2 . ILE A 1 143 ? 15.011 21.082 8.422 1.00 72.16 ? 1022 ILE A CG2 1 ATOM 1045 C CD1 . ILE A 1 143 ? 13.219 21.118 10.931 1.00 86.03 ? 1022 ILE A CD1 1 ATOM 1046 N N . ILE A 1 144 ? 14.435 20.264 5.188 1.00 63.36 ? 1023 ILE A N 1 ATOM 1047 C CA . ILE A 1 144 ? 15.440 19.956 4.180 1.00 62.62 ? 1023 ILE A CA 1 ATOM 1048 C C . ILE A 1 144 ? 16.803 20.477 4.699 1.00 69.24 ? 1023 ILE A C 1 ATOM 1049 O O . ILE A 1 144 ? 16.889 21.554 5.306 1.00 70.40 ? 1023 ILE A O 1 ATOM 1050 C CB . ILE A 1 144 ? 15.061 20.568 2.796 1.00 63.28 ? 1023 ILE A CB 1 ATOM 1051 C CG1 . ILE A 1 144 ? 13.709 20.023 2.328 1.00 60.61 ? 1023 ILE A CG1 1 ATOM 1052 C CG2 . ILE A 1 144 ? 16.165 20.329 1.749 1.00 64.09 ? 1023 ILE A CG2 1 ATOM 1053 C CD1 . ILE A 1 144 ? 13.215 20.523 0.978 1.00 59.66 ? 1023 ILE A CD1 1 ATOM 1054 N N . TYR A 1 145 ? 17.848 19.700 4.446 1.00 66.65 ? 1024 TYR A N 1 ATOM 1055 C CA . TYR A 1 145 ? 19.214 20.072 4.752 1.00 70.44 ? 1024 TYR A CA 1 ATOM 1056 C C . TYR A 1 145 ? 20.031 19.874 3.487 1.00 76.46 ? 1024 TYR A C 1 ATOM 1057 O O . TYR A 1 145 ? 19.869 18.846 2.822 1.00 73.52 ? 1024 TYR A O 1 ATOM 1058 C CB . TYR A 1 145 ? 19.791 19.179 5.851 1.00 73.51 ? 1024 TYR A CB 1 ATOM 1059 C CG . TYR A 1 145 ? 19.069 19.225 7.173 1.00 74.95 ? 1024 TYR A CG 1 ATOM 1060 C CD1 . TYR A 1 145 ? 18.008 18.366 7.439 1.00 73.41 ? 1024 TYR A CD1 1 ATOM 1061 C CD2 . TYR A 1 145 ? 19.497 20.071 8.192 1.00 79.31 ? 1024 TYR A CD2 1 ATOM 1062 C CE1 . TYR A 1 145 ? 17.342 18.399 8.662 1.00 75.67 ? 1024 TYR A CE1 1 ATOM 1063 C CE2 . TYR A 1 145 ? 18.859 20.094 9.430 1.00 80.96 ? 1024 TYR A CE2 1 ATOM 1064 C CZ . TYR A 1 145 ? 17.793 19.244 9.670 1.00 89.14 ? 1024 TYR A CZ 1 ATOM 1065 O OH . TYR A 1 145 ? 17.194 19.270 10.908 1.00 91.85 ? 1024 TYR A OH 1 ATOM 1066 N N . TYR A 1 146 ? 20.908 20.831 3.155 1.00 78.23 ? 1025 TYR A N 1 ATOM 1067 C CA . TYR A 1 146 ? 21.801 20.678 2.005 1.00 81.81 ? 1025 TYR A CA 1 ATOM 1068 C C . TYR A 1 146 ? 23.210 21.154 2.281 1.00 94.52 ? 1025 TYR A C 1 ATOM 1069 O O . TYR A 1 146 ? 23.415 22.040 3.118 1.00 96.64 ? 1025 TYR A O 1 ATOM 1070 C CB . TYR A 1 146 ? 21.243 21.245 0.704 1.00 81.92 ? 1025 TYR A CB 1 ATOM 1071 C CG . TYR A 1 146 ? 21.063 22.747 0.683 1.00 86.08 ? 1025 TYR A CG 1 ATOM 1072 C CD1 . TYR A 1 146 ? 19.886 23.331 1.126 1.00 84.83 ? 1025 TYR A CD1 1 ATOM 1073 C CD2 . TYR A 1 146 ? 22.044 23.582 0.145 1.00 91.67 ? 1025 TYR A CD2 1 ATOM 1074 C CE1 . TYR A 1 146 ? 19.705 24.708 1.079 1.00 87.51 ? 1025 TYR A CE1 1 ATOM 1075 C CE2 . TYR A 1 146 ? 21.876 24.965 0.104 1.00 94.18 ? 1025 TYR A CE2 1 ATOM 1076 C CZ . TYR A 1 146 ? 20.691 25.520 0.547 1.00 100.40 ? 1025 TYR A CZ 1 ATOM 1077 O OH . TYR A 1 146 ? 20.489 26.879 0.485 1.00 106.60 ? 1025 TYR A OH 1 ATOM 1078 N N . SER A 1 147 ? 24.188 20.530 1.616 1.00 95.89 ? 1026 SER A N 1 ATOM 1079 C CA . SER A 1 147 ? 25.593 20.867 1.793 1.00 102.40 ? 1026 SER A CA 1 ATOM 1080 C C . SER A 1 147 ? 26.403 20.537 0.537 1.00 110.03 ? 1026 SER A C 1 ATOM 1081 O O . SER A 1 147 ? 26.017 19.668 -0.253 1.00 109.06 ? 1026 SER A O 1 ATOM 1082 C CB . SER A 1 147 ? 26.167 20.125 3.001 1.00 109.50 ? 1026 SER A CB 1 ATOM 1083 O OG . SER A 1 147 ? 27.437 20.632 3.383 1.00 123.60 ? 1026 SER A OG 1 ATOM 1084 N N . THR A 1 148 ? 27.547 21.215 0.378 1.00 109.66 ? 1027 THR A N 1 ATOM 1085 C CA . THR A 1 148 ? 28.486 20.940 -0.703 1.00 112.30 ? 1027 THR A CA 1 ATOM 1086 C C . THR A 1 148 ? 29.383 19.773 -0.246 1.00 120.03 ? 1027 THR A C 1 ATOM 1087 O O . THR A 1 148 ? 29.998 19.095 -1.080 1.00 124.32 ? 1027 THR A O 1 ATOM 1088 C CB . THR A 1 148 ? 29.287 22.186 -1.061 1.00 116.71 ? 1027 THR A CB 1 ATOM 1089 O OG1 . THR A 1 148 ? 29.948 22.670 0.106 1.00 118.63 ? 1027 THR A OG1 1 ATOM 1090 C CG2 . THR A 1 148 ? 28.427 23.279 -1.658 1.00 109.91 ? 1027 THR A CG2 1 ATOM 1091 N N . ASP A 1 149 ? 29.450 19.547 1.086 1.00 114.30 ? 1028 ASP A N 1 ATOM 1092 C CA . ASP A 1 149 ? 30.207 18.466 1.704 1.00 117.96 ? 1028 ASP A CA 1 ATOM 1093 C C . ASP A 1 149 ? 29.249 17.500 2.400 1.00 116.37 ? 1028 ASP A C 1 ATOM 1094 O O . ASP A 1 149 ? 28.574 17.861 3.376 1.00 111.04 ? 1028 ASP A O 1 ATOM 1095 C CB . ASP A 1 149 ? 31.261 19.015 2.689 1.00 126.28 ? 1028 ASP A CB 1 ATOM 1096 C CG . ASP A 1 149 ? 32.015 17.961 3.483 1.00 144.82 ? 1028 ASP A CG 1 ATOM 1097 O OD1 . ASP A 1 149 ? 32.326 16.892 2.912 1.00 148.82 ? 1028 ASP A OD1 1 ATOM 1098 O OD2 . ASP A 1 149 ? 32.329 18.223 4.662 1.00 156.50 ? 1028 ASP A OD2 1 ATOM 1099 N N . VAL A 1 150 ? 29.213 16.267 1.885 1.00 114.61 ? 1029 VAL A N 1 ATOM 1100 C CA . VAL A 1 150 ? 28.376 15.184 2.385 1.00 112.39 ? 1029 VAL A CA 1 ATOM 1101 C C . VAL A 1 150 ? 28.757 14.758 3.816 1.00 121.87 ? 1029 VAL A C 1 ATOM 1102 O O . VAL A 1 150 ? 27.906 14.331 4.588 1.00 118.44 ? 1029 VAL A O 1 ATOM 1103 C CB . VAL A 1 150 ? 28.367 13.997 1.379 1.00 117.73 ? 1029 VAL A CB 1 ATOM 1104 C CG1 . VAL A 1 150 ? 29.767 13.423 1.142 1.00 125.80 ? 1029 VAL A CG1 1 ATOM 1105 C CG2 . VAL A 1 150 ? 27.349 12.911 1.776 1.00 114.47 ? 1029 VAL A CG2 1 ATOM 1106 N N . ASN A 1 151 ? 30.028 14.897 4.157 1.00 127.15 ? 1030 ASN A N 1 ATOM 1107 C CA . ASN A 1 151 ? 30.546 14.483 5.449 1.00 132.45 ? 1030 ASN A CA 1 ATOM 1108 C C . ASN A 1 151 ? 30.467 15.553 6.550 1.00 136.88 ? 1030 ASN A C 1 ATOM 1109 O O . ASN A 1 151 ? 30.825 15.257 7.696 1.00 140.82 ? 1030 ASN A O 1 ATOM 1110 C CB . ASN A 1 151 ? 31.966 13.928 5.274 1.00 140.72 ? 1030 ASN A CB 1 ATOM 1111 C CG . ASN A 1 151 ? 32.058 12.858 4.203 1.00 159.20 ? 1030 ASN A CG 1 ATOM 1112 O OD1 . ASN A 1 151 ? 31.336 11.846 4.217 1.00 148.12 ? 1030 ASN A OD1 1 ATOM 1113 N ND2 . ASN A 1 151 ? 32.930 13.077 3.233 1.00 153.93 ? 1030 ASN A ND2 1 ATOM 1114 N N . ALA A 1 152 ? 29.968 16.767 6.224 1.00 128.22 ? 1031 ALA A N 1 ATOM 1115 C CA . ALA A 1 152 ? 29.862 17.867 7.183 1.00 128.35 ? 1031 ALA A CA 1 ATOM 1116 C C . ALA A 1 152 ? 28.874 17.564 8.317 1.00 131.26 ? 1031 ALA A C 1 ATOM 1117 O O . ALA A 1 152 ? 27.883 16.859 8.105 1.00 124.95 ? 1031 ALA A O 1 ATOM 1118 C CB . ALA A 1 152 ? 29.462 19.142 6.464 1.00 125.07 ? 1031 ALA A CB 1 ATOM 1119 N N . GLU A 1 153 ? 29.157 18.082 9.530 1.00 133.37 ? 1032 GLU A N 1 ATOM 1120 C CA . GLU A 1 153 ? 28.277 17.917 10.692 1.00 130.93 ? 1032 GLU A CA 1 ATOM 1121 C C . GLU A 1 153 ? 26.969 18.651 10.423 1.00 126.21 ? 1032 GLU A C 1 ATOM 1122 O O . GLU A 1 153 ? 26.959 19.648 9.688 1.00 123.99 ? 1032 GLU A O 1 ATOM 1123 C CB . GLU A 1 153 ? 28.946 18.389 11.992 1.00 140.18 ? 1032 GLU A CB 1 ATOM 1124 C CG . GLU A 1 153 ? 29.613 17.239 12.738 1.00 163.81 ? 1032 GLU A CG 1 ATOM 1125 C CD . GLU A 1 153 ? 30.769 17.529 13.687 1.00 186.70 ? 1032 GLU A CD 1 ATOM 1126 O OE1 . GLU A 1 153 ? 31.431 18.586 13.549 1.00 189.19 ? 1032 GLU A OE1 1 ATOM 1127 O OE2 . GLU A 1 153 ? 31.058 16.650 14.532 1.00 188.69 ? 1032 GLU A OE2 1 ATOM 1128 N N . ILE A 1 154 ? 25.861 18.127 10.963 1.00 117.12 ? 1033 ILE A N 1 ATOM 1129 C CA . ILE A 1 154 ? 24.538 18.665 10.709 1.00 109.69 ? 1033 ILE A CA 1 ATOM 1130 C C . ILE A 1 154 ? 24.335 20.176 10.896 1.00 115.43 ? 1033 ILE A C 1 ATOM 1131 O O . ILE A 1 154 ? 23.584 20.769 10.109 1.00 111.70 ? 1033 ILE A O 1 ATOM 1132 C CB . ILE A 1 154 ? 23.437 17.779 11.305 1.00 108.42 ? 1033 ILE A CB 1 ATOM 1133 C CG1 . ILE A 1 154 ? 22.098 17.909 10.536 1.00 100.16 ? 1033 ILE A CG1 1 ATOM 1134 C CG2 . ILE A 1 154 ? 23.298 17.992 12.811 1.00 112.99 ? 1033 ILE A CG2 1 ATOM 1135 C CD1 . ILE A 1 154 ? 22.134 17.489 9.094 1.00 100.68 ? 1033 ILE A CD1 1 ATOM 1136 N N . HIS A 1 155 ? 25.012 20.798 11.887 1.00 117.52 ? 1034 HIS A N 1 ATOM 1137 C CA . HIS A 1 155 ? 24.929 22.245 12.085 1.00 119.79 ? 1034 HIS A CA 1 ATOM 1138 C C . HIS A 1 155 ? 25.516 23.025 10.925 1.00 121.44 ? 1034 HIS A C 1 ATOM 1139 O O . HIS A 1 155 ? 25.059 24.134 10.649 1.00 119.27 ? 1034 HIS A O 1 ATOM 1140 C CB . HIS A 1 155 ? 25.563 22.689 13.407 1.00 129.84 ? 1034 HIS A CB 1 ATOM 1141 C CG . HIS A 1 155 ? 24.687 22.420 14.575 1.00 134.47 ? 1034 HIS A CG 1 ATOM 1142 N ND1 . HIS A 1 155 ? 25.115 21.624 15.613 1.00 141.60 ? 1034 HIS A ND1 1 ATOM 1143 C CD2 . HIS A 1 155 ? 23.407 22.809 14.818 1.00 133.32 ? 1034 HIS A CD2 1 ATOM 1144 C CE1 . HIS A 1 155 ? 24.100 21.561 16.467 1.00 140.14 ? 1034 HIS A CE1 1 ATOM 1145 N NE2 . HIS A 1 155 ? 23.046 22.255 16.032 1.00 135.37 ? 1034 HIS A NE2 1 ATOM 1146 N N . ASP A 1 156 ? 26.499 22.430 10.216 1.00 119.00 ? 1035 ASP A N 1 ATOM 1147 C CA . ASP A 1 156 ? 27.170 23.038 9.064 1.00 119.17 ? 1035 ASP A CA 1 ATOM 1148 C C . ASP A 1 156 ? 26.335 22.978 7.789 1.00 115.97 ? 1035 ASP A C 1 ATOM 1149 O O . ASP A 1 156 ? 26.614 23.736 6.849 1.00 117.18 ? 1035 ASP A O 1 ATOM 1150 C CB . ASP A 1 156 ? 28.574 22.444 8.859 1.00 126.39 ? 1035 ASP A CB 1 ATOM 1151 C CG . ASP A 1 156 ? 29.496 22.590 10.063 1.00 142.57 ? 1035 ASP A CG 1 ATOM 1152 O OD1 . ASP A 1 156 ? 29.248 23.486 10.901 1.00 144.32 ? 1035 ASP A OD1 1 ATOM 1153 O OD2 . ASP A 1 156 ? 30.462 21.804 10.170 1.00 154.70 ? 1035 ASP A OD2 1 ATOM 1154 N N . TRP A 1 157 ? 25.298 22.100 7.762 1.00 104.38 ? 1036 TRP A N 1 ATOM 1155 C CA . TRP A 1 157 ? 24.361 21.965 6.637 1.00 96.41 ? 1036 TRP A CA 1 ATOM 1156 C C . TRP A 1 157 ? 23.427 23.163 6.635 1.00 98.31 ? 1036 TRP A C 1 ATOM 1157 O O . TRP A 1 157 ? 23.207 23.773 7.680 1.00 101.45 ? 1036 TRP A O 1 ATOM 1158 C CB . TRP A 1 157 ? 23.544 20.662 6.749 1.00 89.37 ? 1036 TRP A CB 1 ATOM 1159 C CG . TRP A 1 157 ? 24.318 19.427 6.397 1.00 91.12 ? 1036 TRP A CG 1 ATOM 1160 C CD1 . TRP A 1 157 ? 25.446 18.967 7.010 1.00 99.60 ? 1036 TRP A CD1 1 ATOM 1161 C CD2 . TRP A 1 157 ? 24.007 18.480 5.366 1.00 87.11 ? 1036 TRP A CD2 1 ATOM 1162 N NE1 . TRP A 1 157 ? 25.875 17.808 6.404 1.00 99.53 ? 1036 TRP A NE1 1 ATOM 1163 C CE2 . TRP A 1 157 ? 25.012 17.487 5.388 1.00 95.03 ? 1036 TRP A CE2 1 ATOM 1164 C CE3 . TRP A 1 157 ? 22.990 18.382 4.407 1.00 82.79 ? 1036 TRP A CE3 1 ATOM 1165 C CZ2 . TRP A 1 157 ? 25.031 16.413 4.480 1.00 93.15 ? 1036 TRP A CZ2 1 ATOM 1166 C CZ3 . TRP A 1 157 ? 23.012 17.325 3.503 1.00 83.17 ? 1036 TRP A CZ3 1 ATOM 1167 C CH2 . TRP A 1 157 ? 24.022 16.356 3.542 1.00 87.92 ? 1036 TRP A CH2 1 ATOM 1168 N N . VAL A 1 158 ? 22.897 23.514 5.469 1.00 89.68 ? 1037 VAL A N 1 ATOM 1169 C CA . VAL A 1 158 ? 21.989 24.645 5.338 1.00 87.56 ? 1037 VAL A CA 1 ATOM 1170 C C . VAL A 1 158 ? 20.600 24.108 5.610 1.00 89.86 ? 1037 VAL A C 1 ATOM 1171 O O . VAL A 1 158 ? 20.229 23.096 5.012 1.00 86.65 ? 1037 VAL A O 1 ATOM 1172 C CB . VAL A 1 158 ? 22.128 25.329 3.944 1.00 89.83 ? 1037 VAL A CB 1 ATOM 1173 C CG1 . VAL A 1 158 ? 21.249 26.565 3.838 1.00 88.96 ? 1037 VAL A CG1 1 ATOM 1174 C CG2 . VAL A 1 158 ? 23.575 25.702 3.667 1.00 94.58 ? 1037 VAL A CG2 1 ATOM 1175 N N . ILE A 1 159 ? 19.842 24.756 6.531 1.00 89.69 ? 1038 ILE A N 1 ATOM 1176 C CA . ILE A 1 159 ? 18.467 24.349 6.901 1.00 86.77 ? 1038 ILE A CA 1 ATOM 1177 C C . ILE A 1 159 ? 17.426 25.065 6.026 1.00 89.27 ? 1038 ILE A C 1 ATOM 1178 O O . ILE A 1 159 ? 17.462 26.294 5.895 1.00 92.33 ? 1038 ILE A O 1 ATOM 1179 C CB . ILE A 1 159 ? 18.188 24.501 8.435 1.00 92.45 ? 1038 ILE A CB 1 ATOM 1180 C CG1 . ILE A 1 159 ? 18.955 23.459 9.271 1.00 94.40 ? 1038 ILE A CG1 1 ATOM 1181 C CG2 . ILE A 1 159 ? 16.702 24.429 8.770 1.00 90.62 ? 1038 ILE A CG2 1 ATOM 1182 C CD1 . ILE A 1 159 ? 20.538 23.779 9.674 1.00 110.12 ? 1038 ILE A CD1 1 ATOM 1183 N N . GLU A 1 160 ? 16.508 24.283 5.433 1.00 80.34 ? 1039 GLU A N 1 ATOM 1184 C CA . GLU A 1 160 ? 15.413 24.790 4.605 1.00 76.53 ? 1039 GLU A CA 1 ATOM 1185 C C . GLU A 1 160 ? 14.092 24.159 5.070 1.00 74.69 ? 1039 GLU A C 1 ATOM 1186 O O . GLU A 1 160 ? 13.782 23.026 4.707 1.00 69.82 ? 1039 GLU A O 1 ATOM 1187 C CB . GLU A 1 160 ? 15.671 24.547 3.127 1.00 75.84 ? 1039 GLU A CB 1 ATOM 1188 C CG . GLU A 1 160 ? 16.554 25.605 2.498 1.00 88.96 ? 1039 GLU A CG 1 ATOM 1189 C CD . GLU A 1 160 ? 15.913 26.872 1.961 1.00 115.49 ? 1039 GLU A CD 1 ATOM 1190 O OE1 . GLU A 1 160 ? 14.674 27.015 2.059 1.00 105.41 ? 1039 GLU A OE1 1 ATOM 1191 O OE2 . GLU A 1 160 ? 16.661 27.725 1.431 1.00 122.66 ? 1039 GLU A OE2 1 ATOM 1192 N N . PRO A 1 161 ? 13.320 24.854 5.922 1.00 72.43 ? 1040 PRO A N 1 ATOM 1193 C CA . PRO A 1 161 ? 12.090 24.251 6.434 1.00 70.00 ? 1040 PRO A CA 1 ATOM 1194 C C . PRO A 1 161 ? 10.939 24.317 5.453 1.00 72.35 ? 1040 PRO A C 1 ATOM 1195 O O . PRO A 1 161 ? 10.772 25.301 4.736 1.00 75.69 ? 1040 PRO A O 1 ATOM 1196 C CB . PRO A 1 161 ? 11.793 25.073 7.701 1.00 74.98 ? 1040 PRO A CB 1 ATOM 1197 C CG . PRO A 1 161 ? 12.924 25.990 7.861 1.00 82.89 ? 1040 PRO A CG 1 ATOM 1198 C CD . PRO A 1 161 ? 13.534 26.179 6.528 1.00 77.76 ? 1040 PRO A CD 1 ATOM 1199 N N . VAL A 1 162 ? 10.131 23.269 5.449 1.00 66.07 ? 1041 VAL A N 1 ATOM 1200 C CA . VAL A 1 162 ? 8.919 23.118 4.640 1.00 64.92 ? 1041 VAL A CA 1 ATOM 1201 C C . VAL A 1 162 ? 7.731 23.048 5.611 1.00 73.99 ? 1041 VAL A C 1 ATOM 1202 O O . VAL A 1 162 ? 7.643 22.125 6.428 1.00 70.86 ? 1041 VAL A O 1 ATOM 1203 C CB . VAL A 1 162 ? 8.990 21.858 3.744 1.00 63.94 ? 1041 VAL A CB 1 ATOM 1204 C CG1 . VAL A 1 162 ? 7.781 21.792 2.820 1.00 64.00 ? 1041 VAL A CG1 1 ATOM 1205 C CG2 . VAL A 1 162 ? 10.287 21.803 2.950 1.00 62.43 ? 1041 VAL A CG2 1 ATOM 1206 N N . VAL A 1 163 ? 6.844 24.036 5.533 1.00 79.58 ? 1042 VAL A N 1 ATOM 1207 C CA . VAL A 1 163 ? 5.685 24.128 6.429 1.00 84.71 ? 1042 VAL A CA 1 ATOM 1208 C C . VAL A 1 163 ? 4.469 23.408 5.910 1.00 90.76 ? 1042 VAL A C 1 ATOM 1209 O O . VAL A 1 163 ? 4.052 23.635 4.769 1.00 91.34 ? 1042 VAL A O 1 ATOM 1210 C CB . VAL A 1 163 ? 5.363 25.573 6.877 1.00 95.17 ? 1042 VAL A CB 1 ATOM 1211 C CG1 . VAL A 1 163 ? 6.289 26.010 8.019 1.00 97.67 ? 1042 VAL A CG1 1 ATOM 1212 C CG2 . VAL A 1 163 ? 5.419 26.552 5.699 1.00 96.89 ? 1042 VAL A CG2 1 ATOM 1213 N N . GLY A 1 164 ? 3.933 22.534 6.758 1.00 87.84 ? 1043 GLY A N 1 ATOM 1214 C CA . GLY A 1 164 ? 2.787 21.687 6.466 1.00 87.17 ? 1043 GLY A CA 1 ATOM 1215 C C . GLY A 1 164 ? 3.184 20.468 5.664 1.00 87.01 ? 1043 GLY A C 1 ATOM 1216 O O . GLY A 1 164 ? 4.353 20.320 5.299 1.00 85.31 ? 1043 GLY A O 1 ATOM 1217 N N . ASN A 1 165 ? 2.221 19.597 5.361 1.00 83.38 ? 1044 ASN A N 1 ATOM 1218 C CA . ASN A 1 165 ? 2.499 18.435 4.536 1.00 81.13 ? 1044 ASN A CA 1 ATOM 1219 C C . ASN A 1 165 ? 2.567 18.783 3.012 1.00 83.50 ? 1044 ASN A C 1 ATOM 1220 O O . ASN A 1 165 ? 1.739 18.342 2.232 1.00 84.73 ? 1044 ASN A O 1 ATOM 1221 C CB . ASN A 1 165 ? 1.572 17.250 4.869 1.00 85.99 ? 1044 ASN A CB 1 ATOM 1222 C CG . ASN A 1 165 ? 1.965 15.938 4.191 1.00 107.35 ? 1044 ASN A CG 1 ATOM 1223 O OD1 . ASN A 1 165 ? 2.950 15.271 4.543 1.00 82.39 ? 1044 ASN A OD1 1 ATOM 1224 N ND2 . ASN A 1 165 ? 1.191 15.539 3.186 1.00 110.98 ? 1044 ASN A ND2 1 ATOM 1225 N N . ARG A 1 166 ? 3.560 19.607 2.614 1.00 77.18 ? 1045 ARG A N 1 ATOM 1226 C CA . ARG A 1 166 ? 3.845 19.961 1.229 1.00 75.49 ? 1045 ARG A CA 1 ATOM 1227 C C . ARG A 1 166 ? 4.874 18.900 0.804 1.00 71.90 ? 1045 ARG A C 1 ATOM 1228 O O . ARG A 1 166 ? 5.687 18.486 1.634 1.00 71.40 ? 1045 ARG A O 1 ATOM 1229 C CB . ARG A 1 166 ? 4.473 21.362 1.144 1.00 76.06 ? 1045 ARG A CB 1 ATOM 1230 C CG . ARG A 1 166 ? 3.914 22.267 0.039 1.00 89.49 ? 1045 ARG A CG 1 ATOM 1231 C CD . ARG A 1 166 ? 4.338 23.724 0.217 1.00 112.61 ? 1045 ARG A CD 1 ATOM 1232 N NE . ARG A 1 166 ? 5.796 23.907 0.139 1.00 128.88 ? 1045 ARG A NE 1 ATOM 1233 C CZ . ARG A 1 166 ? 6.527 24.682 0.945 1.00 141.74 ? 1045 ARG A CZ 1 ATOM 1234 N NH1 . ARG A 1 166 ? 5.948 25.376 1.927 1.00 128.04 ? 1045 ARG A NH1 1 ATOM 1235 N NH2 . ARG A 1 166 ? 7.839 24.760 0.786 1.00 120.50 ? 1045 ARG A NH2 1 ATOM 1236 N N . LEU A 1 167 ? 4.821 18.436 -0.456 1.00 61.99 ? 1046 LEU A N 1 ATOM 1237 C CA . LEU A 1 167 ? 5.732 17.403 -0.925 1.00 57.01 ? 1046 LEU A CA 1 ATOM 1238 C C . LEU A 1 167 ? 6.752 17.904 -1.921 1.00 60.71 ? 1046 LEU A C 1 ATOM 1239 O O . LEU A 1 167 ? 7.508 17.128 -2.495 1.00 62.13 ? 1046 LEU A O 1 ATOM 1240 C CB . LEU A 1 167 ? 4.977 16.160 -1.390 1.00 56.97 ? 1046 LEU A CB 1 ATOM 1241 C CG . LEU A 1 167 ? 4.104 15.473 -0.319 1.00 57.79 ? 1046 LEU A CG 1 ATOM 1242 C CD1 . LEU A 1 167 ? 3.378 14.324 -0.920 1.00 58.13 ? 1046 LEU A CD1 1 ATOM 1243 C CD2 . LEU A 1 167 ? 4.922 15.027 0.857 1.00 56.00 ? 1046 LEU A CD2 1 ATOM 1244 N N . THR A 1 168 ? 6.841 19.231 -2.044 1.00 56.20 ? 1047 THR A N 1 ATOM 1245 C CA . THR A 1 168 ? 7.805 19.923 -2.877 1.00 55.93 ? 1047 THR A CA 1 ATOM 1246 C C . THR A 1 168 ? 8.362 21.174 -2.192 1.00 60.51 ? 1047 THR A C 1 ATOM 1247 O O . THR A 1 168 ? 7.688 21.777 -1.348 1.00 61.59 ? 1047 THR A O 1 ATOM 1248 C CB . THR A 1 168 ? 7.219 20.205 -4.242 1.00 64.76 ? 1047 THR A CB 1 ATOM 1249 O OG1 . THR A 1 168 ? 8.269 20.694 -5.068 1.00 61.22 ? 1047 THR A OG1 1 ATOM 1250 C CG2 . THR A 1 168 ? 6.011 21.150 -4.209 1.00 63.62 ? 1047 THR A CG2 1 ATOM 1251 N N . HIS A 1 169 ? 9.601 21.554 -2.548 1.00 56.70 ? 1048 HIS A N 1 ATOM 1252 C CA . HIS A 1 169 ? 10.249 22.765 -2.061 1.00 56.93 ? 1048 HIS A CA 1 ATOM 1253 C C . HIS A 1 169 ? 11.319 23.179 -3.001 1.00 64.51 ? 1048 HIS A C 1 ATOM 1254 O O . HIS A 1 169 ? 12.163 22.373 -3.383 1.00 65.34 ? 1048 HIS A O 1 ATOM 1255 C CB . HIS A 1 169 ? 10.788 22.605 -0.654 1.00 55.93 ? 1048 HIS A CB 1 ATOM 1256 C CG . HIS A 1 169 ? 11.351 23.854 -0.041 1.00 60.54 ? 1048 HIS A CG 1 ATOM 1257 N ND1 . HIS A 1 169 ? 10.534 24.851 0.453 1.00 63.31 ? 1048 HIS A ND1 1 ATOM 1258 C CD2 . HIS A 1 169 ? 12.644 24.202 0.177 1.00 63.11 ? 1048 HIS A CD2 1 ATOM 1259 C CE1 . HIS A 1 169 ? 11.348 25.784 0.922 1.00 64.75 ? 1048 HIS A CE1 1 ATOM 1260 N NE2 . HIS A 1 169 ? 12.626 25.439 0.777 1.00 64.78 ? 1048 HIS A NE2 1 ATOM 1261 N N . GLN A 1 170 ? 11.279 24.448 -3.380 1.00 63.55 ? 1049 GLN A N 1 ATOM 1262 C CA . GLN A 1 170 ? 12.224 25.072 -4.280 1.00 65.44 ? 1049 GLN A CA 1 ATOM 1263 C C . GLN A 1 170 ? 13.349 25.761 -3.484 1.00 70.70 ? 1049 GLN A C 1 ATOM 1264 O O . GLN A 1 170 ? 13.074 26.501 -2.532 1.00 71.72 ? 1049 GLN A O 1 ATOM 1265 C CB . GLN A 1 170 ? 11.457 26.119 -5.068 1.00 69.94 ? 1049 GLN A CB 1 ATOM 1266 C CG . GLN A 1 170 ? 12.018 26.375 -6.427 1.00 92.77 ? 1049 GLN A CG 1 ATOM 1267 C CD . GLN A 1 170 ? 11.307 27.540 -7.024 1.00 113.11 ? 1049 GLN A CD 1 ATOM 1268 O OE1 . GLN A 1 170 ? 11.669 28.697 -6.788 1.00 107.85 ? 1049 GLN A OE1 1 ATOM 1269 N NE2 . GLN A 1 170 ? 10.229 27.260 -7.748 1.00 108.80 ? 1049 GLN A NE2 1 ATOM 1270 N N . ILE A 1 171 ? 14.605 25.522 -3.872 1.00 68.12 ? 1050 ILE A N 1 ATOM 1271 C CA . ILE A 1 171 ? 15.780 26.153 -3.256 1.00 70.48 ? 1050 ILE A CA 1 ATOM 1272 C C . ILE A 1 171 ? 16.485 26.976 -4.337 1.00 82.57 ? 1050 ILE A C 1 ATOM 1273 O O . ILE A 1 171 ? 16.891 26.426 -5.357 1.00 84.29 ? 1050 ILE A O 1 ATOM 1274 C CB . ILE A 1 171 ? 16.735 25.161 -2.511 1.00 71.68 ? 1050 ILE A CB 1 ATOM 1275 C CG1 . ILE A 1 171 ? 15.984 24.324 -1.454 1.00 68.30 ? 1050 ILE A CG1 1 ATOM 1276 C CG2 . ILE A 1 171 ? 17.901 25.917 -1.852 1.00 75.15 ? 1050 ILE A CG2 1 ATOM 1277 C CD1 . ILE A 1 171 ? 16.668 23.070 -1.039 1.00 70.63 ? 1050 ILE A CD1 1 ATOM 1278 N N . GLN A 1 172 ? 16.594 28.294 -4.124 1.00 84.31 ? 1051 GLN A N 1 ATOM 1279 C CA . GLN A 1 172 ? 17.203 29.229 -5.076 1.00 88.61 ? 1051 GLN A CA 1 ATOM 1280 C C . GLN A 1 172 ? 18.625 29.647 -4.647 1.00 94.05 ? 1051 GLN A C 1 ATOM 1281 O O . GLN A 1 172 ? 19.069 29.354 -3.530 1.00 92.43 ? 1051 GLN A O 1 ATOM 1282 C CB . GLN A 1 172 ? 16.324 30.490 -5.221 1.00 93.09 ? 1051 GLN A CB 1 ATOM 1283 C CG . GLN A 1 172 ? 14.874 30.233 -5.582 1.00 108.95 ? 1051 GLN A CG 1 ATOM 1284 C CD . GLN A 1 172 ? 14.007 31.422 -5.268 1.00 139.36 ? 1051 GLN A CD 1 ATOM 1285 O OE1 . GLN A 1 172 ? 13.607 32.182 -6.159 1.00 138.80 ? 1051 GLN A OE1 1 ATOM 1286 N NE2 . GLN A 1 172 ? 13.702 31.612 -3.989 1.00 135.04 ? 1051 GLN A NE2 1 ATOM 1287 N N . GLU A 1 173 ? 19.314 30.347 -5.557 1.00 93.39 ? 1052 GLU A N 1 ATOM 1288 C CA . GLU A 1 173 ? 20.652 30.912 -5.404 1.00 97.05 ? 1052 GLU A CA 1 ATOM 1289 C C . GLU A 1 173 ? 21.799 29.926 -5.093 1.00 98.43 ? 1052 GLU A C 1 ATOM 1290 O O . GLU A 1 173 ? 22.733 30.261 -4.358 1.00 100.54 ? 1052 GLU A O 1 ATOM 1291 C CB . GLU A 1 173 ? 20.657 32.203 -4.564 1.00 102.14 ? 1052 GLU A CB 1 ATOM 1292 C CG . GLU A 1 173 ? 19.724 33.296 -5.083 1.00 118.32 ? 1052 GLU A CG 1 ATOM 1293 C CD . GLU A 1 173 ? 20.023 33.930 -6.434 1.00 156.14 ? 1052 GLU A CD 1 ATOM 1294 O OE1 . GLU A 1 173 ? 21.142 34.467 -6.611 1.00 159.97 ? 1052 GLU A OE1 1 ATOM 1295 O OE2 . GLU A 1 173 ? 19.132 33.895 -7.315 1.00 153.72 ? 1052 GLU A OE2 1 ATOM 1296 N N . LEU A 1 174 ? 21.756 28.746 -5.736 1.00 90.82 ? 1053 LEU A N 1 ATOM 1297 C CA . LEU A 1 174 ? 22.781 27.723 -5.585 1.00 90.03 ? 1053 LEU A CA 1 ATOM 1298 C C . LEU A 1 174 ? 23.917 27.936 -6.563 1.00 98.96 ? 1053 LEU A C 1 ATOM 1299 O O . LEU A 1 174 ? 23.674 28.373 -7.688 1.00 100.94 ? 1053 LEU A O 1 ATOM 1300 C CB . LEU A 1 174 ? 22.192 26.306 -5.698 1.00 85.67 ? 1053 LEU A CB 1 ATOM 1301 C CG . LEU A 1 174 ? 21.211 25.918 -4.580 1.00 85.57 ? 1053 LEU A CG 1 ATOM 1302 C CD1 . LEU A 1 174 ? 20.151 25.035 -5.103 1.00 82.76 ? 1053 LEU A CD1 1 ATOM 1303 C CD2 . LEU A 1 174 ? 21.888 25.216 -3.455 1.00 86.44 ? 1053 LEU A CD2 1 ATOM 1304 N N . THR A 1 175 ? 25.169 27.664 -6.116 1.00 98.82 ? 1054 THR A N 1 ATOM 1305 C CA . THR A 1 175 ? 26.390 27.781 -6.923 1.00 103.68 ? 1054 THR A CA 1 ATOM 1306 C C . THR A 1 175 ? 26.312 26.804 -8.106 1.00 108.21 ? 1054 THR A C 1 ATOM 1307 O O . THR A 1 175 ? 25.911 25.646 -7.931 1.00 104.83 ? 1054 THR A O 1 ATOM 1308 C CB . THR A 1 175 ? 27.650 27.556 -6.062 1.00 109.79 ? 1054 THR A CB 1 ATOM 1309 O OG1 . THR A 1 175 ? 27.533 28.290 -4.845 1.00 105.90 ? 1054 THR A OG1 1 ATOM 1310 C CG2 . THR A 1 175 ? 28.929 27.976 -6.777 1.00 115.81 ? 1054 THR A CG2 1 ATOM 1311 N N . LEU A 1 176 ? 26.667 27.291 -9.310 1.00 108.56 ? 1055 LEU A N 1 ATOM 1312 C CA . LEU A 1 176 ? 26.638 26.494 -10.529 1.00 108.86 ? 1055 LEU A CA 1 ATOM 1313 C C . LEU A 1 176 ? 27.766 25.492 -10.583 1.00 115.21 ? 1055 LEU A C 1 ATOM 1314 O O . LEU A 1 176 ? 28.763 25.678 -9.888 1.00 117.67 ? 1055 LEU A O 1 ATOM 1315 C CB . LEU A 1 176 ? 26.636 27.407 -11.747 1.00 112.69 ? 1055 LEU A CB 1 ATOM 1316 C CG . LEU A 1 176 ? 25.372 28.243 -11.915 1.00 115.09 ? 1055 LEU A CG 1 ATOM 1317 C CD1 . LEU A 1 176 ? 25.464 29.140 -13.138 1.00 118.89 ? 1055 LEU A CD1 1 ATOM 1318 C CD2 . LEU A 1 176 ? 24.123 27.361 -11.975 1.00 113.95 ? 1055 LEU A CD2 1 ATOM 1319 N N . ASP A 1 177 ? 27.589 24.395 -11.358 1.00 112.08 ? 1056 ASP A N 1 ATOM 1320 C CA . ASP A 1 177 ? 28.566 23.302 -11.533 1.00 116.19 ? 1056 ASP A CA 1 ATOM 1321 C C . ASP A 1 177 ? 29.098 22.768 -10.188 1.00 120.30 ? 1056 ASP A C 1 ATOM 1322 O O . ASP A 1 177 ? 30.275 22.442 -10.032 1.00 124.34 ? 1056 ASP A O 1 ATOM 1323 C CB . ASP A 1 177 ? 29.704 23.729 -12.486 1.00 125.15 ? 1056 ASP A CB 1 ATOM 1324 C CG . ASP A 1 177 ? 30.448 22.591 -13.150 1.00 137.33 ? 1056 ASP A CG 1 ATOM 1325 O OD1 . ASP A 1 177 ? 30.013 21.422 -12.999 1.00 133.54 ? 1056 ASP A OD1 1 ATOM 1326 O OD2 . ASP A 1 177 ? 31.446 22.867 -13.845 1.00 154.27 ? 1056 ASP A OD2 1 ATOM 1327 N N . THR A 1 178 ? 28.207 22.708 -9.208 1.00 113.39 ? 1057 THR A N 1 ATOM 1328 C CA . THR A 1 178 ? 28.553 22.279 -7.867 1.00 112.75 ? 1057 THR A CA 1 ATOM 1329 C C . THR A 1 178 ? 27.740 21.066 -7.488 1.00 112.05 ? 1057 THR A C 1 ATOM 1330 O O . THR A 1 178 ? 26.510 21.123 -7.571 1.00 107.97 ? 1057 THR A O 1 ATOM 1331 C CB . THR A 1 178 ? 28.358 23.446 -6.866 1.00 120.24 ? 1057 THR A CB 1 ATOM 1332 O OG1 . THR A 1 178 ? 29.052 24.602 -7.345 1.00 130.12 ? 1057 THR A OG1 1 ATOM 1333 C CG2 . THR A 1 178 ? 28.855 23.117 -5.472 1.00 116.81 ? 1057 THR A CG2 1 ATOM 1334 N N . PRO A 1 179 ? 28.395 19.974 -7.024 1.00 109.66 ? 1058 PRO A N 1 ATOM 1335 C CA . PRO A 1 179 ? 27.627 18.831 -6.513 1.00 105.16 ? 1058 PRO A CA 1 ATOM 1336 C C . PRO A 1 179 ? 27.072 19.196 -5.141 1.00 101.79 ? 1058 PRO A C 1 ATOM 1337 O O . PRO A 1 179 ? 27.813 19.651 -4.267 1.00 103.52 ? 1058 PRO A O 1 ATOM 1338 C CB . PRO A 1 179 ? 28.672 17.704 -6.400 1.00 112.54 ? 1058 PRO A CB 1 ATOM 1339 C CG . PRO A 1 179 ? 29.946 18.264 -6.944 1.00 123.46 ? 1058 PRO A CG 1 ATOM 1340 C CD . PRO A 1 179 ? 29.840 19.748 -6.847 1.00 117.38 ? 1058 PRO A CD 1 ATOM 1341 N N . TYR A 1 180 ? 25.757 19.065 -4.984 1.00 92.20 ? 1059 TYR A N 1 ATOM 1342 C CA . TYR A 1 180 ? 25.059 19.313 -3.725 1.00 87.09 ? 1059 TYR A CA 1 ATOM 1343 C C . TYR A 1 180 ? 24.497 18.011 -3.174 1.00 89.01 ? 1059 TYR A C 1 ATOM 1344 O O . TYR A 1 180 ? 24.334 17.031 -3.908 1.00 88.40 ? 1059 TYR A O 1 ATOM 1345 C CB . TYR A 1 180 ? 23.958 20.354 -3.895 1.00 83.52 ? 1059 TYR A CB 1 ATOM 1346 C CG . TYR A 1 180 ? 24.456 21.779 -3.887 1.00 87.19 ? 1059 TYR A CG 1 ATOM 1347 C CD1 . TYR A 1 180 ? 24.674 22.453 -2.693 1.00 90.45 ? 1059 TYR A CD1 1 ATOM 1348 C CD2 . TYR A 1 180 ? 24.651 22.479 -5.076 1.00 89.38 ? 1059 TYR A CD2 1 ATOM 1349 C CE1 . TYR A 1 180 ? 25.113 23.780 -2.679 1.00 94.33 ? 1059 TYR A CE1 1 ATOM 1350 C CE2 . TYR A 1 180 ? 25.055 23.815 -5.074 1.00 92.01 ? 1059 TYR A CE2 1 ATOM 1351 C CZ . TYR A 1 180 ? 25.303 24.457 -3.871 1.00 97.23 ? 1059 TYR A CZ 1 ATOM 1352 O OH . TYR A 1 180 ? 25.692 25.774 -3.838 1.00 99.77 ? 1059 TYR A OH 1 ATOM 1353 N N . TYR A 1 181 ? 24.231 18.000 -1.866 1.00 85.12 ? 1060 TYR A N 1 ATOM 1354 C CA . TYR A 1 181 ? 23.716 16.850 -1.135 1.00 82.98 ? 1060 TYR A CA 1 ATOM 1355 C C . TYR A 1 181 ? 22.495 17.303 -0.376 1.00 81.91 ? 1060 TYR A C 1 ATOM 1356 O O . TYR A 1 181 ? 22.530 18.364 0.245 1.00 81.45 ? 1060 TYR A O 1 ATOM 1357 C CB . TYR A 1 181 ? 24.801 16.302 -0.183 1.00 88.15 ? 1060 TYR A CB 1 ATOM 1358 C CG . TYR A 1 181 ? 26.021 15.791 -0.918 1.00 95.54 ? 1060 TYR A CG 1 ATOM 1359 C CD1 . TYR A 1 181 ? 26.079 14.479 -1.382 1.00 99.39 ? 1060 TYR A CD1 1 ATOM 1360 C CD2 . TYR A 1 181 ? 27.089 16.637 -1.210 1.00 100.73 ? 1060 TYR A CD2 1 ATOM 1361 C CE1 . TYR A 1 181 ? 27.180 14.012 -2.098 1.00 106.10 ? 1060 TYR A CE1 1 ATOM 1362 C CE2 . TYR A 1 181 ? 28.190 16.186 -1.936 1.00 108.02 ? 1060 TYR A CE2 1 ATOM 1363 C CZ . TYR A 1 181 ? 28.235 14.869 -2.373 1.00 120.57 ? 1060 TYR A CZ 1 ATOM 1364 O OH . TYR A 1 181 ? 29.330 14.406 -3.072 1.00 133.59 ? 1060 TYR A OH 1 ATOM 1365 N N . PHE A 1 182 ? 21.404 16.522 -0.451 1.00 74.49 ? 1061 PHE A N 1 ATOM 1366 C CA . PHE A 1 182 ? 20.128 16.859 0.184 1.00 68.36 ? 1061 PHE A CA 1 ATOM 1367 C C . PHE A 1 182 ? 19.596 15.738 0.989 1.00 71.23 ? 1061 PHE A C 1 ATOM 1368 O O . PHE A 1 182 ? 19.614 14.592 0.558 1.00 71.80 ? 1061 PHE A O 1 ATOM 1369 C CB . PHE A 1 182 ? 19.052 17.237 -0.861 1.00 66.64 ? 1061 PHE A CB 1 ATOM 1370 C CG . PHE A 1 182 ? 19.452 18.368 -1.775 1.00 68.57 ? 1061 PHE A CG 1 ATOM 1371 C CD1 . PHE A 1 182 ? 20.219 18.129 -2.910 1.00 72.54 ? 1061 PHE A CD1 1 ATOM 1372 C CD2 . PHE A 1 182 ? 19.053 19.671 -1.509 1.00 68.37 ? 1061 PHE A CD2 1 ATOM 1373 C CE1 . PHE A 1 182 ? 20.585 19.170 -3.755 1.00 74.32 ? 1061 PHE A CE1 1 ATOM 1374 C CE2 . PHE A 1 182 ? 19.454 20.723 -2.343 1.00 71.84 ? 1061 PHE A CE2 1 ATOM 1375 C CZ . PHE A 1 182 ? 20.212 20.463 -3.462 1.00 71.99 ? 1061 PHE A CZ 1 ATOM 1376 N N . LYS A 1 183 ? 19.055 16.074 2.145 1.00 67.35 ? 1062 LYS A N 1 ATOM 1377 C CA . LYS A 1 183 ? 18.373 15.115 3.009 1.00 65.35 ? 1062 LYS A CA 1 ATOM 1378 C C . LYS A 1 183 ? 17.194 15.786 3.712 1.00 66.61 ? 1062 LYS A C 1 ATOM 1379 O O . LYS A 1 183 ? 17.188 17.014 3.899 1.00 66.68 ? 1062 LYS A O 1 ATOM 1380 C CB . LYS A 1 183 ? 19.319 14.324 3.920 1.00 68.97 ? 1062 LYS A CB 1 ATOM 1381 C CG . LYS A 1 183 ? 20.222 15.157 4.786 1.00 64.01 ? 1062 LYS A CG 1 ATOM 1382 C CD . LYS A 1 183 ? 21.261 14.254 5.341 1.00 79.51 ? 1062 LYS A CD 1 ATOM 1383 C CE . LYS A 1 183 ? 22.102 14.921 6.384 1.00 87.52 ? 1062 LYS A CE 1 ATOM 1384 N NZ . LYS A 1 183 ? 23.083 13.969 6.949 1.00 96.49 ? 1062 LYS A NZ 1 ATOM 1385 N N . ILE A 1 184 ? 16.149 15.000 3.985 1.00 60.48 ? 1063 ILE A N 1 ATOM 1386 C CA . ILE A 1 184 ? 14.918 15.526 4.576 1.00 57.85 ? 1063 ILE A CA 1 ATOM 1387 C C . ILE A 1 184 ? 14.525 14.686 5.771 1.00 64.10 ? 1063 ILE A C 1 ATOM 1388 O O . ILE A 1 184 ? 14.807 13.482 5.800 1.00 65.87 ? 1063 ILE A O 1 ATOM 1389 C CB . ILE A 1 184 ? 13.748 15.569 3.519 1.00 58.07 ? 1063 ILE A CB 1 ATOM 1390 C CG1 . ILE A 1 184 ? 14.253 15.724 2.104 1.00 61.19 ? 1063 ILE A CG1 1 ATOM 1391 C CG2 . ILE A 1 184 ? 12.650 16.602 3.831 1.00 54.69 ? 1063 ILE A CG2 1 ATOM 1392 C CD1 . ILE A 1 184 ? 13.214 15.720 1.119 1.00 83.82 ? 1063 ILE A CD1 1 ATOM 1393 N N . GLN A 1 185 ? 13.862 15.329 6.751 1.00 59.35 ? 1064 GLN A N 1 ATOM 1394 C CA . GLN A 1 185 ? 13.223 14.660 7.877 1.00 59.03 ? 1064 GLN A CA 1 ATOM 1395 C C . GLN A 1 185 ? 11.812 15.181 8.018 1.00 59.87 ? 1064 GLN A C 1 ATOM 1396 O O . GLN A 1 185 ? 11.548 16.333 7.660 1.00 60.69 ? 1064 GLN A O 1 ATOM 1397 C CB . GLN A 1 185 ? 14.009 14.733 9.194 1.00 63.51 ? 1064 GLN A CB 1 ATOM 1398 C CG . GLN A 1 185 ? 14.252 16.128 9.710 1.00 71.86 ? 1064 GLN A CG 1 ATOM 1399 C CD . GLN A 1 185 ? 15.067 16.150 10.971 1.00 80.27 ? 1064 GLN A CD 1 ATOM 1400 O OE1 . GLN A 1 185 ? 15.570 17.195 11.359 1.00 74.12 ? 1064 GLN A OE1 1 ATOM 1401 N NE2 . GLN A 1 185 ? 15.183 15.025 11.664 1.00 74.76 ? 1064 GLN A NE2 1 ATOM 1402 N N . ALA A 1 186 ? 10.899 14.315 8.479 1.00 52.58 ? 1065 ALA A N 1 ATOM 1403 C CA . ALA A 1 186 ? 9.512 14.674 8.702 1.00 49.41 ? 1065 ALA A CA 1 ATOM 1404 C C . ALA A 1 186 ? 9.373 15.192 10.113 1.00 57.06 ? 1065 ALA A C 1 ATOM 1405 O O . ALA A 1 186 ? 10.171 14.864 10.994 1.00 59.37 ? 1065 ALA A O 1 ATOM 1406 C CB . ALA A 1 186 ? 8.629 13.458 8.508 1.00 48.66 ? 1065 ALA A CB 1 ATOM 1407 N N . ARG A 1 187 ? 8.346 15.978 10.335 1.00 56.54 ? 1066 ARG A N 1 ATOM 1408 C CA . ARG A 1 187 ? 8.016 16.491 11.649 1.00 60.68 ? 1066 ARG A CA 1 ATOM 1409 C C . ARG A 1 187 ? 6.536 16.208 11.934 1.00 60.61 ? 1066 ARG A C 1 ATOM 1410 O O . ARG A 1 187 ? 5.702 16.346 11.037 1.00 57.43 ? 1066 ARG A O 1 ATOM 1411 C CB . ARG A 1 187 ? 8.274 18.009 11.696 1.00 68.22 ? 1066 ARG A CB 1 ATOM 1412 C CG . ARG A 1 187 ? 8.280 18.571 13.100 1.00 96.67 ? 1066 ARG A CG 1 ATOM 1413 C CD . ARG A 1 187 ? 7.901 20.024 13.157 1.00 102.93 ? 1066 ARG A CD 1 ATOM 1414 N NE . ARG A 1 187 ? 8.456 20.804 12.055 1.00 79.12 ? 1066 ARG A NE 1 ATOM 1415 C CZ . ARG A 1 187 ? 7.949 21.972 11.703 1.00 87.44 ? 1066 ARG A CZ 1 ATOM 1416 N NH1 . ARG A 1 187 ? 6.967 22.522 12.421 1.00 46.30 ? 1066 ARG A NH1 1 ATOM 1417 N NH2 . ARG A 1 187 ? 8.433 22.622 10.647 1.00 82.58 ? 1066 ARG A NH2 1 ATOM 1418 N N . ASN A 1 188 ? 6.219 15.843 13.182 1.00 58.61 ? 1067 ASN A N 1 ATOM 1419 C CA . ASN A 1 188 ? 4.821 15.727 13.609 1.00 59.88 ? 1067 ASN A CA 1 ATOM 1420 C C . ASN A 1 188 ? 4.653 16.441 14.955 1.00 69.43 ? 1067 ASN A C 1 ATOM 1421 O O . ASN A 1 188 ? 5.627 17.021 15.453 1.00 71.51 ? 1067 ASN A O 1 ATOM 1422 C CB . ASN A 1 188 ? 4.210 14.301 13.533 1.00 51.33 ? 1067 ASN A CB 1 ATOM 1423 C CG . ASN A 1 188 ? 4.658 13.288 14.542 1.00 62.27 ? 1067 ASN A CG 1 ATOM 1424 O OD1 . ASN A 1 188 ? 5.124 13.587 15.631 1.00 68.61 ? 1067 ASN A OD1 1 ATOM 1425 N ND2 . ASN A 1 188 ? 4.457 12.045 14.216 1.00 51.58 ? 1067 ASN A ND2 1 ATOM 1426 N N . SER A 1 189 ? 3.431 16.417 15.530 1.00 67.37 ? 1068 SER A N 1 ATOM 1427 C CA . SER A 1 189 ? 3.111 17.047 16.816 1.00 71.27 ? 1068 SER A CA 1 ATOM 1428 C C . SER A 1 189 ? 4.041 16.591 17.932 1.00 76.58 ? 1068 SER A C 1 ATOM 1429 O O . SER A 1 189 ? 4.087 17.248 18.975 1.00 83.11 ? 1068 SER A O 1 ATOM 1430 C CB . SER A 1 189 ? 1.661 16.742 17.199 1.00 76.79 ? 1068 SER A CB 1 ATOM 1431 O OG . SER A 1 189 ? 1.491 15.419 17.693 1.00 84.54 ? 1068 SER A OG 1 ATOM 1432 N N . LYS A 1 190 ? 4.755 15.456 17.737 1.00 68.51 ? 1069 LYS A N 1 ATOM 1433 C CA . LYS A 1 190 ? 5.640 14.867 18.743 1.00 70.81 ? 1069 LYS A CA 1 ATOM 1434 C C . LYS A 1 190 ? 7.142 15.156 18.548 1.00 76.98 ? 1069 LYS A C 1 ATOM 1435 O O . LYS A 1 190 ? 7.926 15.024 19.490 1.00 79.95 ? 1069 LYS A O 1 ATOM 1436 C CB . LYS A 1 190 ? 5.339 13.359 18.932 1.00 70.77 ? 1069 LYS A CB 1 ATOM 1437 C CG . LYS A 1 190 ? 3.868 13.027 19.240 1.00 64.92 ? 1069 LYS A CG 1 ATOM 1438 C CD . LYS A 1 190 ? 3.522 13.101 20.708 1.00 80.72 ? 1069 LYS A CD 1 ATOM 1439 C CE . LYS A 1 190 ? 2.044 12.893 20.977 1.00 86.49 ? 1069 LYS A CE 1 ATOM 1440 N NZ . LYS A 1 190 ? 1.805 12.132 22.241 1.00 104.35 ? 1069 LYS A NZ 1 ATOM 1441 N N . GLY A 1 191 ? 7.539 15.559 17.345 1.00 72.07 ? 1070 GLY A N 1 ATOM 1442 C CA . GLY A 1 191 ? 8.936 15.863 17.074 1.00 72.42 ? 1070 GLY A CA 1 ATOM 1443 C C . GLY A 1 191 ? 9.448 15.434 15.728 1.00 74.74 ? 1070 GLY A C 1 ATOM 1444 O O . GLY A 1 191 ? 8.650 15.203 14.806 1.00 72.14 ? 1070 GLY A O 1 ATOM 1445 N N . MET A 1 192 ? 10.810 15.382 15.605 1.00 72.29 ? 1071 MET A N 1 ATOM 1446 C CA . MET A 1 192 ? 11.523 15.062 14.358 1.00 69.02 ? 1071 MET A CA 1 ATOM 1447 C C . MET A 1 192 ? 11.667 13.570 14.176 1.00 63.08 ? 1071 MET A C 1 ATOM 1448 O O . MET A 1 192 ? 11.960 12.858 15.132 1.00 64.85 ? 1071 MET A O 1 ATOM 1449 C CB . MET A 1 192 ? 12.942 15.670 14.341 1.00 76.16 ? 1071 MET A CB 1 ATOM 1450 C CG . MET A 1 192 ? 13.043 17.164 14.547 1.00 84.97 ? 1071 MET A CG 1 ATOM 1451 S SD . MET A 1 192 ? 11.790 18.088 13.657 1.00 90.21 ? 1071 MET A SD 1 ATOM 1452 C CE . MET A 1 192 ? 12.304 17.855 11.891 1.00 83.61 ? 1071 MET A CE 1 ATOM 1453 N N . GLY A 1 193 ? 11.506 13.116 12.950 1.00 51.79 ? 1072 GLY A N 1 ATOM 1454 C CA . GLY A 1 193 ? 11.691 11.720 12.608 1.00 51.76 ? 1072 GLY A CA 1 ATOM 1455 C C . GLY A 1 193 ? 13.088 11.504 12.062 1.00 64.68 ? 1072 GLY A C 1 ATOM 1456 O O . GLY A 1 193 ? 13.910 12.438 12.046 1.00 67.88 ? 1072 GLY A O 1 ATOM 1457 N N . PRO A 1 194 ? 13.411 10.293 11.559 1.00 63.05 ? 1073 PRO A N 1 ATOM 1458 C CA . PRO A 1 194 ? 14.743 10.098 10.970 1.00 64.48 ? 1073 PRO A CA 1 ATOM 1459 C C . PRO A 1 194 ? 14.895 10.823 9.616 1.00 68.74 ? 1073 PRO A C 1 ATOM 1460 O O . PRO A 1 194 ? 13.892 11.260 9.020 1.00 65.60 ? 1073 PRO A O 1 ATOM 1461 C CB . PRO A 1 194 ? 14.854 8.582 10.845 1.00 67.06 ? 1073 PRO A CB 1 ATOM 1462 C CG . PRO A 1 194 ? 13.501 8.110 10.753 1.00 69.27 ? 1073 PRO A CG 1 ATOM 1463 C CD . PRO A 1 194 ? 12.583 9.079 11.441 1.00 63.23 ? 1073 PRO A CD 1 ATOM 1464 N N . MET A 1 195 ? 16.152 10.954 9.153 1.00 70.01 ? 1074 MET A N 1 ATOM 1465 C CA . MET A 1 195 ? 16.497 11.603 7.882 1.00 69.58 ? 1074 MET A CA 1 ATOM 1466 C C . MET A 1 195 ? 16.599 10.612 6.781 1.00 74.36 ? 1074 MET A C 1 ATOM 1467 O O . MET A 1 195 ? 16.953 9.447 6.998 1.00 76.03 ? 1074 MET A O 1 ATOM 1468 C CB . MET A 1 195 ? 17.848 12.303 7.923 1.00 75.27 ? 1074 MET A CB 1 ATOM 1469 C CG . MET A 1 195 ? 18.056 13.133 9.087 1.00 81.19 ? 1074 MET A CG 1 ATOM 1470 S SD . MET A 1 195 ? 18.183 14.798 8.525 1.00 84.79 ? 1074 MET A SD 1 ATOM 1471 C CE . MET A 1 195 ? 19.091 15.512 9.960 1.00 85.83 ? 1074 MET A CE 1 ATOM 1472 N N . SER A 1 196 ? 16.388 11.115 5.566 1.00 70.55 ? 1075 SER A N 1 ATOM 1473 C CA . SER A 1 196 ? 16.510 10.341 4.351 1.00 71.48 ? 1075 SER A CA 1 ATOM 1474 C C . SER A 1 196 ? 18.028 10.159 4.082 1.00 79.49 ? 1075 SER A C 1 ATOM 1475 O O . SER A 1 196 ? 18.874 10.870 4.671 1.00 79.72 ? 1075 SER A O 1 ATOM 1476 C CB . SER A 1 196 ? 15.839 11.104 3.209 1.00 73.07 ? 1075 SER A CB 1 ATOM 1477 O OG . SER A 1 196 ? 16.629 12.210 2.783 1.00 82.26 ? 1075 SER A OG 1 ATOM 1478 N N . GLU A 1 197 ? 18.372 9.212 3.197 1.00 78.37 ? 1076 GLU A N 1 ATOM 1479 C CA . GLU A 1 197 ? 19.768 9.082 2.771 1.00 81.84 ? 1076 GLU A CA 1 ATOM 1480 C C . GLU A 1 197 ? 19.985 10.288 1.840 1.00 84.24 ? 1076 GLU A C 1 ATOM 1481 O O . GLU A 1 197 ? 19.061 10.682 1.094 1.00 80.91 ? 1076 GLU A O 1 ATOM 1482 C CB . GLU A 1 197 ? 19.983 7.780 2.005 1.00 86.86 ? 1076 GLU A CB 1 ATOM 1483 C CG . GLU A 1 197 ? 19.962 6.557 2.910 1.00 99.26 ? 1076 GLU A CG 1 ATOM 1484 C CD . GLU A 1 197 ? 21.332 5.998 3.223 1.00 127.70 ? 1076 GLU A CD 1 ATOM 1485 O OE1 . GLU A 1 197 ? 22.320 6.769 3.184 1.00 130.63 ? 1076 GLU A OE1 1 ATOM 1486 O OE2 . GLU A 1 197 ? 21.428 4.773 3.466 1.00 119.59 ? 1076 GLU A OE2 1 ATOM 1487 N N . ALA A 1 198 ? 21.163 10.923 1.951 1.00 82.97 ? 1077 ALA A N 1 ATOM 1488 C CA . ALA A 1 198 ? 21.495 12.080 1.140 1.00 81.58 ? 1077 ALA A CA 1 ATOM 1489 C C . ALA A 1 198 ? 21.404 11.745 -0.333 1.00 86.63 ? 1077 ALA A C 1 ATOM 1490 O O . ALA A 1 198 ? 21.844 10.678 -0.774 1.00 90.13 ? 1077 ALA A O 1 ATOM 1491 C CB . ALA A 1 198 ? 22.881 12.607 1.479 1.00 86.75 ? 1077 ALA A CB 1 ATOM 1492 N N . VAL A 1 199 ? 20.739 12.627 -1.071 1.00 80.53 ? 1078 VAL A N 1 ATOM 1493 C CA . VAL A 1 199 ? 20.582 12.536 -2.508 1.00 81.41 ? 1078 VAL A CA 1 ATOM 1494 C C . VAL A 1 199 ? 21.598 13.526 -3.086 1.00 87.90 ? 1078 VAL A C 1 ATOM 1495 O O . VAL A 1 199 ? 21.655 14.675 -2.639 1.00 86.50 ? 1078 VAL A O 1 ATOM 1496 C CB . VAL A 1 199 ? 19.109 12.826 -2.928 1.00 80.91 ? 1078 VAL A CB 1 ATOM 1497 C CG1 . VAL A 1 199 ? 18.984 13.198 -4.403 1.00 81.94 ? 1078 VAL A CG1 1 ATOM 1498 C CG2 . VAL A 1 199 ? 18.214 11.636 -2.607 1.00 79.99 ? 1078 VAL A CG2 1 ATOM 1499 N N . GLN A 1 200 ? 22.418 13.071 -4.047 1.00 88.16 ? 1079 GLN A N 1 ATOM 1500 C CA . GLN A 1 200 ? 23.367 13.968 -4.694 1.00 90.76 ? 1079 GLN A CA 1 ATOM 1501 C C . GLN A 1 200 ? 22.785 14.571 -5.983 1.00 93.94 ? 1079 GLN A C 1 ATOM 1502 O O . GLN A 1 200 ? 22.127 13.877 -6.776 1.00 94.01 ? 1079 GLN A O 1 ATOM 1503 C CB . GLN A 1 200 ? 24.700 13.276 -4.975 1.00 98.83 ? 1079 GLN A CB 1 ATOM 1504 C CG . GLN A 1 200 ? 25.795 14.250 -5.390 1.00 119.19 ? 1079 GLN A CG 1 ATOM 1505 C CD . GLN A 1 200 ? 27.120 13.634 -5.769 1.00 141.91 ? 1079 GLN A CD 1 ATOM 1506 O OE1 . GLN A 1 200 ? 28.050 14.346 -6.154 1.00 141.42 ? 1079 GLN A OE1 1 ATOM 1507 N NE2 . GLN A 1 200 ? 27.256 12.320 -5.666 1.00 134.83 ? 1079 GLN A NE2 1 ATOM 1508 N N . PHE A 1 201 ? 23.030 15.874 -6.173 1.00 88.40 ? 1080 PHE A N 1 ATOM 1509 C CA . PHE A 1 201 ? 22.629 16.600 -7.359 1.00 87.43 ? 1080 PHE A CA 1 ATOM 1510 C C . PHE A 1 201 ? 23.678 17.638 -7.715 1.00 93.76 ? 1080 PHE A C 1 ATOM 1511 O O . PHE A 1 201 ? 24.025 18.477 -6.885 1.00 92.23 ? 1080 PHE A O 1 ATOM 1512 C CB . PHE A 1 201 ? 21.245 17.249 -7.217 1.00 84.07 ? 1080 PHE A CB 1 ATOM 1513 C CG . PHE A 1 201 ? 20.758 17.879 -8.509 1.00 87.21 ? 1080 PHE A CG 1 ATOM 1514 C CD1 . PHE A 1 201 ? 20.115 17.117 -9.477 1.00 91.72 ? 1080 PHE A CD1 1 ATOM 1515 C CD2 . PHE A 1 201 ? 20.969 19.230 -8.768 1.00 90.57 ? 1080 PHE A CD2 1 ATOM 1516 C CE1 . PHE A 1 201 ? 19.692 17.695 -10.679 1.00 95.32 ? 1080 PHE A CE1 1 ATOM 1517 C CE2 . PHE A 1 201 ? 20.554 19.803 -9.974 1.00 95.38 ? 1080 PHE A CE2 1 ATOM 1518 C CZ . PHE A 1 201 ? 19.910 19.035 -10.919 1.00 94.98 ? 1080 PHE A CZ 1 ATOM 1519 N N . ARG A 1 202 ? 24.154 17.602 -8.960 1.00 94.37 ? 1081 ARG A N 1 ATOM 1520 C CA . ARG A 1 202 ? 25.109 18.581 -9.419 1.00 98.66 ? 1081 ARG A CA 1 ATOM 1521 C C . ARG A 1 202 ? 24.389 19.612 -10.283 1.00 102.69 ? 1081 ARG A C 1 ATOM 1522 O O . ARG A 1 202 ? 23.846 19.275 -11.345 1.00 104.39 ? 1081 ARG A O 1 ATOM 1523 C CB . ARG A 1 202 ? 26.268 17.923 -10.183 1.00 106.44 ? 1081 ARG A CB 1 ATOM 1524 C CG . ARG A 1 202 ? 27.384 18.899 -10.473 1.00 115.75 ? 1081 ARG A CG 1 ATOM 1525 C CD . ARG A 1 202 ? 28.315 18.404 -11.550 1.00 135.42 ? 1081 ARG A CD 1 ATOM 1526 N NE . ARG A 1 202 ? 29.554 19.178 -11.526 1.00 145.49 ? 1081 ARG A NE 1 ATOM 1527 C CZ . ARG A 1 202 ? 30.664 18.796 -10.904 1.00 160.60 ? 1081 ARG A CZ 1 ATOM 1528 N NH1 . ARG A 1 202 ? 30.718 17.619 -10.291 1.00 150.25 ? 1081 ARG A NH1 1 ATOM 1529 N NH2 . ARG A 1 202 ? 31.731 19.579 -10.900 1.00 148.46 ? 1081 ARG A NH2 1 ATOM 1530 N N . THR A 1 203 ? 24.397 20.873 -9.827 1.00 96.94 ? 1082 THR A N 1 ATOM 1531 C CA . THR A 1 203 ? 23.794 21.993 -10.545 1.00 96.16 ? 1082 THR A CA 1 ATOM 1532 C C . THR A 1 203 ? 24.446 22.149 -11.931 1.00 102.99 ? 1082 THR A C 1 ATOM 1533 O O . THR A 1 203 ? 25.663 21.940 -12.052 1.00 105.60 ? 1082 THR A O 1 ATOM 1534 C CB . THR A 1 203 ? 23.953 23.303 -9.754 1.00 105.56 ? 1082 THR A CB 1 ATOM 1535 O OG1 . THR A 1 203 ? 25.313 23.457 -9.361 1.00 116.83 ? 1082 THR A OG1 1 ATOM 1536 C CG2 . THR A 1 203 ? 23.059 23.372 -8.547 1.00 96.05 ? 1082 THR A CG2 1 ATOM 1537 N N . PRO A 1 204 ? 23.667 22.528 -12.977 1.00 99.73 ? 1083 PRO A N 1 ATOM 1538 C CA . PRO A 1 204 ? 24.273 22.726 -14.317 1.00 108.76 ? 1083 PRO A CA 1 ATOM 1539 C C . PRO A 1 204 ? 25.349 23.812 -14.371 1.00 128.27 ? 1083 PRO A C 1 ATOM 1540 O O . PRO A 1 204 ? 25.497 24.591 -13.433 1.00 79.49 ? 1083 PRO A O 1 ATOM 1541 C CB . PRO A 1 204 ? 23.081 23.098 -15.203 1.00 109.63 ? 1083 PRO A CB 1 ATOM 1542 C CG . PRO A 1 204 ? 22.028 23.549 -14.269 1.00 106.83 ? 1083 PRO A CG 1 ATOM 1543 C CD . PRO A 1 204 ? 22.216 22.788 -13.003 1.00 97.64 ? 1083 PRO A CD 1 ATOM 1544 N N . PRO B 1 5 ? 58.472 29.925 26.927 1.00 104.94 ? 884 PRO B N 1 ATOM 1545 C CA . PRO B 1 5 ? 57.628 28.825 26.441 1.00 100.61 ? 884 PRO B CA 1 ATOM 1546 C C . PRO B 1 5 ? 57.202 27.870 27.557 1.00 101.93 ? 884 PRO B C 1 ATOM 1547 O O . PRO B 1 5 ? 58.035 27.412 28.352 1.00 103.51 ? 884 PRO B O 1 ATOM 1548 C CB . PRO B 1 5 ? 58.510 28.124 25.396 1.00 101.65 ? 884 PRO B CB 1 ATOM 1549 C CG . PRO B 1 5 ? 59.909 28.429 25.801 1.00 109.35 ? 884 PRO B CG 1 ATOM 1550 C CD . PRO B 1 5 ? 59.905 29.667 26.688 1.00 108.49 ? 884 PRO B CD 1 ATOM 1551 N N . MET B 1 6 ? 55.898 27.579 27.618 1.00 92.10 ? 885 MET B N 1 ATOM 1552 C CA . MET B 1 6 ? 55.352 26.683 28.623 1.00 87.12 ? 885 MET B CA 1 ATOM 1553 C C . MET B 1 6 ? 55.651 25.252 28.237 1.00 89.71 ? 885 MET B C 1 ATOM 1554 O O . MET B 1 6 ? 55.770 24.933 27.051 1.00 89.73 ? 885 MET B O 1 ATOM 1555 C CB . MET B 1 6 ? 53.843 26.897 28.778 1.00 87.36 ? 885 MET B CB 1 ATOM 1556 C CG . MET B 1 6 ? 53.491 28.165 29.516 1.00 93.46 ? 885 MET B CG 1 ATOM 1557 S SD . MET B 1 6 ? 51.742 28.322 29.948 1.00 96.16 ? 885 MET B SD 1 ATOM 1558 C CE . MET B 1 6 ? 51.648 27.221 31.329 1.00 90.72 ? 885 MET B CE 1 ATOM 1559 N N . MET B 1 7 ? 55.800 24.392 29.235 1.00 85.65 ? 886 MET B N 1 ATOM 1560 C CA . MET B 1 7 ? 56.044 22.970 29.030 1.00 82.84 ? 886 MET B CA 1 ATOM 1561 C C . MET B 1 7 ? 54.735 22.273 28.589 1.00 80.78 ? 886 MET B C 1 ATOM 1562 O O . MET B 1 7 ? 53.703 22.414 29.252 1.00 81.57 ? 886 MET B O 1 ATOM 1563 C CB . MET B 1 7 ? 56.584 22.333 30.312 1.00 86.96 ? 886 MET B CB 1 ATOM 1564 C CG . MET B 1 7 ? 58.096 22.392 30.458 1.00 94.54 ? 886 MET B CG 1 ATOM 1565 S SD . MET B 1 7 ? 59.102 21.719 29.094 1.00 99.84 ? 886 MET B SD 1 ATOM 1566 C CE . MET B 1 7 ? 60.819 21.883 29.843 1.00 101.42 ? 886 MET B CE 1 ATOM 1567 N N . PRO B 1 8 ? 54.740 21.531 27.466 1.00 71.85 ? 887 PRO B N 1 ATOM 1568 C CA . PRO B 1 8 ? 53.500 20.868 27.028 1.00 67.25 ? 887 PRO B CA 1 ATOM 1569 C C . PRO B 1 8 ? 53.044 19.755 27.965 1.00 66.75 ? 887 PRO B C 1 ATOM 1570 O O . PRO B 1 8 ? 53.896 19.131 28.585 1.00 68.08 ? 887 PRO B O 1 ATOM 1571 C CB . PRO B 1 8 ? 53.861 20.324 25.637 1.00 67.95 ? 887 PRO B CB 1 ATOM 1572 C CG . PRO B 1 8 ? 55.329 20.157 25.650 1.00 74.49 ? 887 PRO B CG 1 ATOM 1573 C CD . PRO B 1 8 ? 55.861 21.247 26.544 1.00 73.75 ? 887 PRO B CD 1 ATOM 1574 N N . PRO B 1 9 ? 51.725 19.459 28.056 1.00 58.55 ? 888 PRO B N 1 ATOM 1575 C CA . PRO B 1 9 ? 51.267 18.345 28.897 1.00 56.10 ? 888 PRO B CA 1 ATOM 1576 C C . PRO B 1 9 ? 51.896 16.987 28.562 1.00 57.98 ? 888 PRO B C 1 ATOM 1577 O O . PRO B 1 9 ? 52.412 16.789 27.456 1.00 58.86 ? 888 PRO B O 1 ATOM 1578 C CB . PRO B 1 9 ? 49.754 18.347 28.696 1.00 56.34 ? 888 PRO B CB 1 ATOM 1579 C CG . PRO B 1 9 ? 49.440 19.733 28.301 1.00 63.31 ? 888 PRO B CG 1 ATOM 1580 C CD . PRO B 1 9 ? 50.581 20.120 27.412 1.00 59.62 ? 888 PRO B CD 1 ATOM 1581 N N . VAL B 1 10 ? 51.921 16.080 29.554 1.00 51.83 ? 889 VAL B N 1 ATOM 1582 C CA . VAL B 1 10 ? 52.492 14.723 29.431 1.00 50.28 ? 889 VAL B CA 1 ATOM 1583 C C . VAL B 1 10 ? 51.481 13.671 29.910 1.00 53.52 ? 889 VAL B C 1 ATOM 1584 O O . VAL B 1 10 ? 50.443 14.041 30.434 1.00 51.11 ? 889 VAL B O 1 ATOM 1585 C CB . VAL B 1 10 ? 53.856 14.564 30.179 1.00 54.71 ? 889 VAL B CB 1 ATOM 1586 C CG1 . VAL B 1 10 ? 54.954 15.360 29.486 1.00 55.30 ? 889 VAL B CG1 1 ATOM 1587 C CG2 . VAL B 1 10 ? 53.735 14.953 31.651 1.00 56.03 ? 889 VAL B CG2 1 ATOM 1588 N N . GLY B 1 11 ? 51.830 12.386 29.793 1.00 51.42 ? 890 GLY B N 1 ATOM 1589 C CA . GLY B 1 11 ? 51.007 11.262 30.230 1.00 50.55 ? 890 GLY B CA 1 ATOM 1590 C C . GLY B 1 11 ? 49.598 11.274 29.708 1.00 57.42 ? 890 GLY B C 1 ATOM 1591 O O . GLY B 1 11 ? 48.657 10.958 30.456 1.00 64.11 ? 890 GLY B O 1 ATOM 1592 N N . VAL B 1 12 ? 49.439 11.671 28.430 1.00 50.28 ? 891 VAL B N 1 ATOM 1593 C CA . VAL B 1 12 ? 48.146 11.752 27.774 1.00 48.88 ? 891 VAL B CA 1 ATOM 1594 C C . VAL B 1 12 ? 47.588 10.351 27.520 1.00 51.55 ? 891 VAL B C 1 ATOM 1595 O O . VAL B 1 12 ? 48.262 9.514 26.938 1.00 53.06 ? 891 VAL B O 1 ATOM 1596 C CB . VAL B 1 12 ? 48.202 12.611 26.479 1.00 52.17 ? 891 VAL B CB 1 ATOM 1597 C CG1 . VAL B 1 12 ? 46.797 12.872 25.912 1.00 50.17 ? 891 VAL B CG1 1 ATOM 1598 C CG2 . VAL B 1 12 ? 48.962 13.917 26.721 1.00 52.99 ? 891 VAL B CG2 1 ATOM 1599 N N . GLN B 1 13 ? 46.372 10.101 27.943 1.00 47.53 ? 892 GLN B N 1 ATOM 1600 C CA . GLN B 1 13 ? 45.735 8.800 27.722 1.00 47.54 ? 892 GLN B CA 1 ATOM 1601 C C . GLN B 1 13 ? 44.312 8.969 27.252 1.00 56.41 ? 892 GLN B C 1 ATOM 1602 O O . GLN B 1 13 ? 43.659 9.959 27.605 1.00 60.22 ? 892 GLN B O 1 ATOM 1603 C CB . GLN B 1 13 ? 45.733 7.962 29.003 1.00 49.76 ? 892 GLN B CB 1 ATOM 1604 C CG . GLN B 1 13 ? 47.055 7.401 29.348 1.00 45.70 ? 892 GLN B CG 1 ATOM 1605 C CD . GLN B 1 13 ? 46.892 6.037 29.904 1.00 59.73 ? 892 GLN B CD 1 ATOM 1606 O OE1 . GLN B 1 13 ? 47.506 5.724 30.896 1.00 64.57 ? 892 GLN B OE1 1 ATOM 1607 N N . ALA B 1 14 ? 43.821 7.974 26.490 1.00 52.30 ? 893 ALA B N 1 ATOM 1608 C CA . ALA B 1 14 ? 42.439 7.918 26.020 1.00 52.18 ? 893 ALA B CA 1 ATOM 1609 C C . ALA B 1 14 ? 41.726 6.734 26.684 1.00 57.28 ? 893 ALA B C 1 ATOM 1610 O O . ALA B 1 14 ? 42.284 5.645 26.778 1.00 56.36 ? 893 ALA B O 1 ATOM 1611 C CB . ALA B 1 14 ? 42.390 7.804 24.496 1.00 51.43 ? 893 ALA B CB 1 ATOM 1612 N N . SER B 1 15 ? 40.523 6.978 27.219 1.00 56.08 ? 894 SER B N 1 ATOM 1613 C CA . SER B 1 15 ? 39.700 5.945 27.834 1.00 55.50 ? 894 SER B CA 1 ATOM 1614 C C . SER B 1 15 ? 38.394 5.925 27.072 1.00 57.02 ? 894 SER B C 1 ATOM 1615 O O . SER B 1 15 ? 37.706 6.935 27.037 1.00 57.22 ? 894 SER B O 1 ATOM 1616 C CB . SER B 1 15 ? 39.462 6.240 29.297 1.00 61.24 ? 894 SER B CB 1 ATOM 1617 O OG . SER B 1 15 ? 38.911 5.071 29.882 1.00 80.56 ? 894 SER B OG 1 ATOM 1618 N N . ILE B 1 16 ? 38.081 4.797 26.403 1.00 51.24 ? 895 ILE B N 1 ATOM 1619 C CA . ILE B 1 16 ? 36.877 4.631 25.611 1.00 49.74 ? 895 ILE B CA 1 ATOM 1620 C C . ILE B 1 16 ? 35.681 4.352 26.502 1.00 60.59 ? 895 ILE B C 1 ATOM 1621 O O . ILE B 1 16 ? 35.694 3.404 27.319 1.00 63.70 ? 895 ILE B O 1 ATOM 1622 C CB . ILE B 1 16 ? 37.020 3.596 24.489 1.00 51.13 ? 895 ILE B CB 1 ATOM 1623 C CG1 . ILE B 1 16 ? 38.467 3.541 23.906 1.00 47.12 ? 895 ILE B CG1 1 ATOM 1624 C CG2 . ILE B 1 16 ? 35.915 3.803 23.417 1.00 53.31 ? 895 ILE B CG2 1 ATOM 1625 C CD1 . ILE B 1 16 ? 39.015 4.882 23.309 1.00 36.08 ? 895 ILE B CD1 1 ATOM 1626 N N . LEU B 1 17 ? 34.645 5.197 26.343 1.00 57.57 ? 896 LEU B N 1 ATOM 1627 C CA . LEU B 1 17 ? 33.433 5.122 27.136 1.00 60.08 ? 896 LEU B CA 1 ATOM 1628 C C . LEU B 1 17 ? 32.213 4.669 26.379 1.00 64.27 ? 896 LEU B C 1 ATOM 1629 O O . LEU B 1 17 ? 31.417 3.921 26.915 1.00 68.27 ? 896 LEU B O 1 ATOM 1630 C CB . LEU B 1 17 ? 33.183 6.436 27.876 1.00 61.23 ? 896 LEU B CB 1 ATOM 1631 C CG . LEU B 1 17 ? 34.284 6.859 28.838 1.00 64.50 ? 896 LEU B CG 1 ATOM 1632 C CD1 . LEU B 1 17 ? 33.993 8.193 29.374 1.00 66.38 ? 896 LEU B CD1 1 ATOM 1633 C CD2 . LEU B 1 17 ? 34.455 5.884 29.969 1.00 64.57 ? 896 LEU B CD2 1 ATOM 1634 N N . SER B 1 18 ? 32.050 5.108 25.152 1.00 59.09 ? 897 SER B N 1 ATOM 1635 C CA . SER B 1 18 ? 30.917 4.720 24.328 1.00 60.77 ? 897 SER B CA 1 ATOM 1636 C C . SER B 1 18 ? 31.290 4.744 22.863 1.00 61.05 ? 897 SER B C 1 ATOM 1637 O O . SER B 1 18 ? 32.481 4.831 22.534 1.00 57.97 ? 897 SER B O 1 ATOM 1638 C CB . SER B 1 18 ? 29.736 5.651 24.585 1.00 68.16 ? 897 SER B CB 1 ATOM 1639 O OG . SER B 1 18 ? 29.957 6.943 24.045 1.00 73.49 ? 897 SER B OG 1 ATOM 1640 N N . HIS B 1 19 ? 30.266 4.698 21.983 1.00 58.80 ? 898 HIS B N 1 ATOM 1641 C CA . HIS B 1 19 ? 30.439 4.815 20.542 1.00 58.29 ? 898 HIS B CA 1 ATOM 1642 C C . HIS B 1 19 ? 30.711 6.291 20.141 1.00 64.82 ? 898 HIS B C 1 ATOM 1643 O O . HIS B 1 19 ? 31.077 6.566 19.006 1.00 65.29 ? 898 HIS B O 1 ATOM 1644 C CB . HIS B 1 19 ? 29.166 4.346 19.862 1.00 62.55 ? 898 HIS B CB 1 ATOM 1645 C CG . HIS B 1 19 ? 27.963 5.119 20.286 1.00 68.87 ? 898 HIS B CG 1 ATOM 1646 N ND1 . HIS B 1 19 ? 27.210 4.723 21.369 1.00 72.53 ? 898 HIS B ND1 1 ATOM 1647 C CD2 . HIS B 1 19 ? 27.447 6.262 19.782 1.00 71.18 ? 898 HIS B CD2 1 ATOM 1648 C CE1 . HIS B 1 19 ? 26.245 5.619 21.476 1.00 74.17 ? 898 HIS B CE1 1 ATOM 1649 N NE2 . HIS B 1 19 ? 26.361 6.573 20.554 1.00 74.18 ? 898 HIS B NE2 1 ATOM 1650 N N . ASP B 1 20 ? 30.525 7.234 21.069 1.00 63.69 ? 899 ASP B N 1 ATOM 1651 C CA . ASP B 1 20 ? 30.680 8.651 20.787 1.00 64.78 ? 899 ASP B CA 1 ATOM 1652 C C . ASP B 1 20 ? 31.469 9.388 21.822 1.00 66.93 ? 899 ASP B C 1 ATOM 1653 O O . ASP B 1 20 ? 31.697 10.589 21.650 1.00 66.68 ? 899 ASP B O 1 ATOM 1654 C CB . ASP B 1 20 ? 29.292 9.312 20.587 1.00 73.08 ? 899 ASP B CB 1 ATOM 1655 C CG . ASP B 1 20 ? 28.440 9.557 21.838 1.00 95.71 ? 899 ASP B CG 1 ATOM 1656 O OD1 . ASP B 1 20 ? 28.241 8.603 22.629 1.00 96.24 ? 899 ASP B OD1 1 ATOM 1657 O OD2 . ASP B 1 20 ? 27.909 10.674 21.981 1.00 109.63 ? 899 ASP B OD2 1 ATOM 1658 N N . THR B 1 21 ? 31.930 8.683 22.882 1.00 62.41 ? 900 THR B N 1 ATOM 1659 C CA . THR B 1 21 ? 32.686 9.303 23.975 1.00 60.52 ? 900 THR B CA 1 ATOM 1660 C C . THR B 1 21 ? 34.008 8.632 24.317 1.00 62.32 ? 900 THR B C 1 ATOM 1661 O O . THR B 1 21 ? 34.078 7.419 24.525 1.00 61.58 ? 900 THR B O 1 ATOM 1662 C CB . THR B 1 21 ? 31.773 9.492 25.187 1.00 74.95 ? 900 THR B CB 1 ATOM 1663 O OG1 . THR B 1 21 ? 30.644 10.290 24.803 1.00 84.88 ? 900 THR B OG1 1 ATOM 1664 C CG2 . THR B 1 21 ? 32.455 10.156 26.345 1.00 71.13 ? 900 THR B CG2 1 ATOM 1665 N N . ILE B 1 22 ? 35.060 9.464 24.407 1.00 57.67 ? 901 ILE B N 1 ATOM 1666 C CA . ILE B 1 22 ? 36.412 9.119 24.831 1.00 53.76 ? 901 ILE B CA 1 ATOM 1667 C C . ILE B 1 22 ? 36.874 10.138 25.872 1.00 55.13 ? 901 ILE B C 1 ATOM 1668 O O . ILE B 1 22 ? 36.814 11.330 25.604 1.00 52.82 ? 901 ILE B O 1 ATOM 1669 C CB . ILE B 1 22 ? 37.414 9.010 23.640 1.00 55.14 ? 901 ILE B CB 1 ATOM 1670 C CG1 . ILE B 1 22 ? 36.947 7.933 22.608 1.00 55.87 ? 901 ILE B CG1 1 ATOM 1671 C CG2 . ILE B 1 22 ? 38.863 8.731 24.158 1.00 53.30 ? 901 ILE B CG2 1 ATOM 1672 C CD1 . ILE B 1 22 ? 37.756 7.829 21.357 1.00 52.30 ? 901 ILE B CD1 1 ATOM 1673 N N . ARG B 1 23 ? 37.332 9.667 27.059 1.00 53.90 ? 902 ARG B N 1 ATOM 1674 C CA . ARG B 1 23 ? 37.895 10.534 28.091 1.00 53.85 ? 902 ARG B CA 1 ATOM 1675 C C . ARG B 1 23 ? 39.394 10.706 27.890 1.00 58.31 ? 902 ARG B C 1 ATOM 1676 O O . ARG B 1 23 ? 40.153 9.725 27.799 1.00 57.75 ? 902 ARG B O 1 ATOM 1677 C CB . ARG B 1 23 ? 37.629 9.980 29.476 1.00 54.91 ? 902 ARG B CB 1 ATOM 1678 C CG . ARG B 1 23 ? 37.337 11.060 30.485 1.00 61.81 ? 902 ARG B CG 1 ATOM 1679 C CD . ARG B 1 23 ? 37.682 10.489 31.811 1.00 69.34 ? 902 ARG B CD 1 ATOM 1680 N NE . ARG B 1 23 ? 37.859 11.507 32.836 1.00 84.60 ? 902 ARG B NE 1 ATOM 1681 C CZ . ARG B 1 23 ? 38.560 11.321 33.950 1.00 101.35 ? 902 ARG B CZ 1 ATOM 1682 N NH1 . ARG B 1 23 ? 39.153 10.152 34.186 1.00 82.80 ? 902 ARG B NH1 1 ATOM 1683 N NH2 . ARG B 1 23 ? 38.666 12.295 34.844 1.00 90.89 ? 902 ARG B NH2 1 ATOM 1684 N N . ILE B 1 24 ? 39.828 11.955 27.815 1.00 54.75 ? 903 ILE B N 1 ATOM 1685 C CA . ILE B 1 24 ? 41.253 12.270 27.691 1.00 52.65 ? 903 ILE B CA 1 ATOM 1686 C C . ILE B 1 24 ? 41.792 12.754 29.033 1.00 57.18 ? 903 ILE B C 1 ATOM 1687 O O . ILE B 1 24 ? 41.150 13.543 29.718 1.00 57.39 ? 903 ILE B O 1 ATOM 1688 C CB . ILE B 1 24 ? 41.549 13.257 26.555 1.00 55.21 ? 903 ILE B CB 1 ATOM 1689 C CG1 . ILE B 1 24 ? 40.949 12.773 25.202 1.00 54.36 ? 903 ILE B CG1 1 ATOM 1690 C CG2 . ILE B 1 24 ? 43.066 13.571 26.457 1.00 55.07 ? 903 ILE B CG2 1 ATOM 1691 C CD1 . ILE B 1 24 ? 41.347 11.336 24.801 1.00 51.92 ? 903 ILE B CD1 1 ATOM 1692 N N . THR B 1 25 ? 42.929 12.213 29.445 1.00 53.65 ? 904 THR B N 1 ATOM 1693 C CA . THR B 1 25 ? 43.557 12.607 30.701 1.00 55.16 ? 904 THR B CA 1 ATOM 1694 C C . THR B 1 25 ? 45.000 12.904 30.419 1.00 59.98 ? 904 THR B C 1 ATOM 1695 O O . THR B 1 25 ? 45.575 12.340 29.479 1.00 59.55 ? 904 THR B O 1 ATOM 1696 C CB . THR B 1 25 ? 43.441 11.514 31.768 1.00 62.10 ? 904 THR B CB 1 ATOM 1697 O OG1 . THR B 1 25 ? 44.065 10.333 31.279 1.00 60.63 ? 904 THR B OG1 1 ATOM 1698 C CG2 . THR B 1 25 ? 41.998 11.229 32.184 1.00 63.78 ? 904 THR B CG2 1 ATOM 1699 N N . TRP B 1 26 ? 45.585 13.798 31.229 1.00 56.10 ? 905 TRP B N 1 ATOM 1700 C CA . TRP B 1 26 ? 46.974 14.187 31.100 1.00 55.37 ? 905 TRP B CA 1 ATOM 1701 C C . TRP B 1 26 ? 47.476 14.711 32.426 1.00 60.91 ? 905 TRP B C 1 ATOM 1702 O O . TRP B 1 26 ? 46.719 14.807 33.393 1.00 62.92 ? 905 TRP B O 1 ATOM 1703 C CB . TRP B 1 26 ? 47.148 15.276 30.002 1.00 53.85 ? 905 TRP B CB 1 ATOM 1704 C CG . TRP B 1 26 ? 46.353 16.522 30.265 1.00 56.48 ? 905 TRP B CG 1 ATOM 1705 C CD1 . TRP B 1 26 ? 46.749 17.625 30.961 1.00 61.56 ? 905 TRP B CD1 1 ATOM 1706 C CD2 . TRP B 1 26 ? 44.998 16.755 29.887 1.00 56.98 ? 905 TRP B CD2 1 ATOM 1707 N NE1 . TRP B 1 26 ? 45.718 18.531 31.041 1.00 61.51 ? 905 TRP B NE1 1 ATOM 1708 C CE2 . TRP B 1 26 ? 44.635 18.027 30.380 1.00 62.36 ? 905 TRP B CE2 1 ATOM 1709 C CE3 . TRP B 1 26 ? 44.055 16.024 29.144 1.00 57.59 ? 905 TRP B CE3 1 ATOM 1710 C CZ2 . TRP B 1 26 ? 43.372 18.583 30.157 1.00 63.66 ? 905 TRP B CZ2 1 ATOM 1711 C CZ3 . TRP B 1 26 ? 42.792 16.577 28.933 1.00 60.09 ? 905 TRP B CZ3 1 ATOM 1712 C CH2 . TRP B 1 26 ? 42.461 17.838 29.447 1.00 62.95 ? 905 TRP B CH2 1 ATOM 1713 N N . ALA B 1 27 ? 48.773 15.064 32.447 1.00 56.03 ? 906 ALA B N 1 ATOM 1714 C CA . ALA B 1 27 ? 49.507 15.659 33.556 1.00 58.06 ? 906 ALA B CA 1 ATOM 1715 C C . ALA B 1 27 ? 50.121 16.953 33.023 1.00 64.66 ? 906 ALA B C 1 ATOM 1716 O O . ALA B 1 27 ? 50.408 17.050 31.821 1.00 59.33 ? 906 ALA B O 1 ATOM 1717 C CB . ALA B 1 27 ? 50.604 14.711 34.038 1.00 59.04 ? 906 ALA B CB 1 ATOM 1718 N N . ASP B 1 28 ? 50.276 17.949 33.899 1.00 68.56 ? 907 ASP B N 1 ATOM 1719 C CA . ASP B 1 28 ? 50.896 19.212 33.535 1.00 72.41 ? 907 ASP B CA 1 ATOM 1720 C C . ASP B 1 28 ? 52.156 19.350 34.380 1.00 87.55 ? 907 ASP B C 1 ATOM 1721 O O . ASP B 1 28 ? 52.062 19.367 35.606 1.00 91.21 ? 907 ASP B O 1 ATOM 1722 C CB . ASP B 1 28 ? 49.908 20.372 33.762 1.00 75.33 ? 907 ASP B CB 1 ATOM 1723 C CG . ASP B 1 28 ? 50.390 21.770 33.362 1.00 85.89 ? 907 ASP B CG 1 ATOM 1724 O OD1 . ASP B 1 28 ? 51.536 21.897 32.873 1.00 87.01 ? 907 ASP B OD1 1 ATOM 1725 O OD2 . ASP B 1 28 ? 49.604 22.725 33.492 1.00 91.83 ? 907 ASP B OD2 1 ATOM 1726 N N . ASN B 1 29 ? 53.329 19.391 33.744 1.00 90.09 ? 908 ASN B N 1 ATOM 1727 C CA . ASN B 1 29 ? 54.588 19.507 34.485 1.00 95.86 ? 908 ASN B CA 1 ATOM 1728 C C . ASN B 1 29 ? 54.778 20.819 35.266 1.00 105.02 ? 908 ASN B C 1 ATOM 1729 O O . ASN B 1 29 ? 55.299 20.790 36.394 1.00 108.78 ? 908 ASN B O 1 ATOM 1730 C CB . ASN B 1 29 ? 55.788 19.119 33.633 1.00 96.25 ? 908 ASN B CB 1 ATOM 1731 C CG . ASN B 1 29 ? 55.958 17.628 33.499 1.00 102.79 ? 908 ASN B CG 1 ATOM 1732 O OD1 . ASN B 1 29 ? 55.334 16.808 34.249 1.00 108.96 ? 908 ASN B OD1 1 ATOM 1733 N ND2 . ASN B 1 29 ? 56.802 17.264 32.520 1.00 61.93 ? 908 ASN B ND2 1 ATOM 1734 N N . SER B 1 30 ? 54.244 21.934 34.718 1.00 99.53 ? 909 SER B N 1 ATOM 1735 C CA . SER B 1 30 ? 54.277 23.265 35.337 1.00 87.83 ? 909 SER B CA 1 ATOM 1736 C C . SER B 1 30 ? 53.356 23.398 36.569 1.00 107.69 ? 909 SER B C 1 ATOM 1737 O O . SER B 1 30 ? 53.126 22.437 37.315 1.00 76.89 ? 909 SER B O 1 ATOM 1738 C CB . SER B 1 30 ? 53.951 24.334 34.297 1.00 90.26 ? 909 SER B CB 1 ATOM 1739 O OG . SER B 1 30 ? 53.265 23.844 33.148 1.00 88.31 ? 909 SER B OG 1 ATOM 1740 N N . LYS B 1 36 ? 47.884 20.344 40.829 1.00 124.17 ? 915 LYS B N 1 ATOM 1741 C CA . LYS B 1 36 ? 46.721 21.128 41.267 1.00 126.45 ? 915 LYS B CA 1 ATOM 1742 C C . LYS B 1 36 ? 46.671 22.558 40.688 1.00 130.01 ? 915 LYS B C 1 ATOM 1743 O O . LYS B 1 36 ? 47.560 23.364 40.971 1.00 130.27 ? 915 LYS B O 1 ATOM 1744 C CB . LYS B 1 36 ? 46.589 21.143 42.800 1.00 133.56 ? 915 LYS B CB 1 ATOM 1745 C CG . LYS B 1 36 ? 46.092 19.817 43.373 1.00 143.88 ? 915 LYS B CG 1 ATOM 1746 C CD . LYS B 1 36 ? 45.640 19.962 44.808 1.00 158.15 ? 915 LYS B CD 1 ATOM 1747 C CE . LYS B 1 36 ? 46.179 18.854 45.675 1.00 169.60 ? 915 LYS B CE 1 ATOM 1748 N NZ . LYS B 1 36 ? 45.777 19.031 47.089 1.00 183.87 ? 915 LYS B NZ 1 ATOM 1749 N N . ILE B 1 37 ? 45.621 22.858 39.871 1.00 125.61 ? 916 ILE B N 1 ATOM 1750 C CA . ILE B 1 37 ? 45.398 24.172 39.237 1.00 125.97 ? 916 ILE B CA 1 ATOM 1751 C C . ILE B 1 37 ? 44.821 25.152 40.256 1.00 135.05 ? 916 ILE B C 1 ATOM 1752 O O . ILE B 1 37 ? 43.747 24.931 40.823 1.00 137.58 ? 916 ILE B O 1 ATOM 1753 C CB . ILE B 1 37 ? 44.546 24.150 37.914 1.00 125.85 ? 916 ILE B CB 1 ATOM 1754 C CG1 . ILE B 1 37 ? 44.978 23.021 36.927 1.00 121.04 ? 916 ILE B CG1 1 ATOM 1755 C CG2 . ILE B 1 37 ? 44.553 25.542 37.229 1.00 127.37 ? 916 ILE B CG2 1 ATOM 1756 C CD1 . ILE B 1 37 ? 44.086 21.755 36.911 1.00 127.10 ? 916 ILE B CD1 1 ATOM 1757 N N . THR B 1 38 ? 45.548 26.231 40.485 1.00 132.82 ? 917 THR B N 1 ATOM 1758 C CA . THR B 1 38 ? 45.167 27.307 41.393 1.00 137.40 ? 917 THR B CA 1 ATOM 1759 C C . THR B 1 38 ? 45.073 28.624 40.609 1.00 140.40 ? 917 THR B C 1 ATOM 1760 O O . THR B 1 38 ? 44.432 29.565 41.081 1.00 144.92 ? 917 THR B O 1 ATOM 1761 C CB . THR B 1 38 ? 46.128 27.360 42.606 1.00 147.43 ? 917 THR B CB 1 ATOM 1762 O OG1 . THR B 1 38 ? 47.486 27.316 42.162 1.00 143.33 ? 917 THR B OG1 1 ATOM 1763 C CG2 . THR B 1 38 ? 45.897 26.217 43.586 1.00 147.07 ? 917 THR B CG2 1 ATOM 1764 N N . ASP B 1 39 ? 45.687 28.673 39.392 1.00 130.83 ? 918 ASP B N 1 ATOM 1765 C CA . ASP B 1 39 ? 45.733 29.861 38.530 1.00 130.35 ? 918 ASP B CA 1 ATOM 1766 C C . ASP B 1 39 ? 44.746 29.885 37.344 1.00 126.24 ? 918 ASP B C 1 ATOM 1767 O O . ASP B 1 39 ? 43.869 29.019 37.239 1.00 123.17 ? 918 ASP B O 1 ATOM 1768 C CB . ASP B 1 39 ? 47.187 30.191 38.100 1.00 131.58 ? 918 ASP B CB 1 ATOM 1769 C CG . ASP B 1 39 ? 47.933 29.099 37.344 1.00 137.44 ? 918 ASP B CG 1 ATOM 1770 O OD1 . ASP B 1 39 ? 47.374 28.567 36.362 1.00 134.78 ? 918 ASP B OD1 1 ATOM 1771 O OD2 . ASP B 1 39 ? 49.109 28.844 37.678 1.00 143.54 ? 918 ASP B OD2 1 ATOM 1772 N N . SER B 1 40 ? 44.916 30.900 36.458 1.00 120.03 ? 919 SER B N 1 ATOM 1773 C CA . SER B 1 40 ? 44.120 31.189 35.260 1.00 117.26 ? 919 SER B CA 1 ATOM 1774 C C . SER B 1 40 ? 44.434 30.312 34.044 1.00 110.30 ? 919 SER B C 1 ATOM 1775 O O . SER B 1 40 ? 43.886 30.570 32.969 1.00 108.89 ? 919 SER B O 1 ATOM 1776 C CB . SER B 1 40 ? 44.245 32.667 34.887 1.00 126.20 ? 919 SER B CB 1 ATOM 1777 O OG . SER B 1 40 ? 45.523 33.007 34.364 1.00 135.58 ? 919 SER B OG 1 ATOM 1778 N N . ARG B 1 41 ? 45.297 29.285 34.194 1.00 100.27 ? 920 ARG B N 1 ATOM 1779 C CA . ARG B 1 41 ? 45.617 28.407 33.063 1.00 93.80 ? 920 ARG B CA 1 ATOM 1780 C C . ARG B 1 41 ? 44.426 27.579 32.585 1.00 91.49 ? 920 ARG B C 1 ATOM 1781 O O . ARG B 1 41 ? 43.535 27.240 33.368 1.00 90.79 ? 920 ARG B O 1 ATOM 1782 C CB . ARG B 1 41 ? 46.860 27.519 33.314 1.00 89.59 ? 920 ARG B CB 1 ATOM 1783 C CG . ARG B 1 41 ? 46.581 26.236 34.103 1.00 93.54 ? 920 ARG B CG 1 ATOM 1784 C CD . ARG B 1 41 ? 47.839 25.489 34.456 1.00 91.32 ? 920 ARG B CD 1 ATOM 1785 N NE . ARG B 1 41 ? 48.759 26.318 35.223 1.00 91.19 ? 920 ARG B NE 1 ATOM 1786 C CZ . ARG B 1 41 ? 50.046 26.046 35.401 1.00 105.72 ? 920 ARG B CZ 1 ATOM 1787 N NH1 . ARG B 1 41 ? 50.582 24.957 34.861 1.00 93.33 ? 920 ARG B NH1 1 ATOM 1788 N NH2 . ARG B 1 41 ? 50.811 26.864 36.112 1.00 90.23 ? 920 ARG B NH2 1 ATOM 1789 N N . TYR B 1 42 ? 44.427 27.273 31.290 1.00 85.01 ? 921 TYR B N 1 ATOM 1790 C CA . TYR B 1 42 ? 43.445 26.421 30.650 1.00 82.60 ? 921 TYR B CA 1 ATOM 1791 C C . TYR B 1 42 ? 44.126 25.535 29.639 1.00 83.18 ? 921 TYR B C 1 ATOM 1792 O O . TYR B 1 42 ? 45.142 25.921 29.047 1.00 83.69 ? 921 TYR B O 1 ATOM 1793 C CB . TYR B 1 42 ? 42.303 27.209 30.019 1.00 87.05 ? 921 TYR B CB 1 ATOM 1794 C CG . TYR B 1 42 ? 42.645 28.002 28.771 1.00 90.13 ? 921 TYR B CG 1 ATOM 1795 C CD1 . TYR B 1 42 ? 43.035 29.338 28.855 1.00 95.38 ? 921 TYR B CD1 1 ATOM 1796 C CD2 . TYR B 1 42 ? 42.445 27.461 27.501 1.00 89.22 ? 921 TYR B CD2 1 ATOM 1797 C CE1 . TYR B 1 42 ? 43.264 30.104 27.713 1.00 96.44 ? 921 TYR B CE1 1 ATOM 1798 C CE2 . TYR B 1 42 ? 42.678 28.215 26.348 1.00 92.44 ? 921 TYR B CE2 1 ATOM 1799 C CZ . TYR B 1 42 ? 43.077 29.544 26.460 1.00 102.44 ? 921 TYR B CZ 1 ATOM 1800 O OH . TYR B 1 42 ? 43.332 30.314 25.344 1.00 102.38 ? 921 TYR B OH 1 ATOM 1801 N N . TYR B 1 43 ? 43.563 24.346 29.440 1.00 76.17 ? 922 TYR B N 1 ATOM 1802 C CA . TYR B 1 43 ? 44.072 23.367 28.496 1.00 71.73 ? 922 TYR B CA 1 ATOM 1803 C C . TYR B 1 43 ? 43.189 23.326 27.310 1.00 75.29 ? 922 TYR B C 1 ATOM 1804 O O . TYR B 1 43 ? 41.976 23.530 27.424 1.00 78.49 ? 922 TYR B O 1 ATOM 1805 C CB . TYR B 1 43 ? 44.142 21.979 29.126 1.00 70.81 ? 922 TYR B CB 1 ATOM 1806 C CG . TYR B 1 43 ? 44.919 21.976 30.418 1.00 75.35 ? 922 TYR B CG 1 ATOM 1807 C CD1 . TYR B 1 43 ? 46.310 21.949 30.416 1.00 77.70 ? 922 TYR B CD1 1 ATOM 1808 C CD2 . TYR B 1 43 ? 44.267 22.040 31.646 1.00 78.05 ? 922 TYR B CD2 1 ATOM 1809 C CE1 . TYR B 1 43 ? 47.034 21.993 31.605 1.00 81.56 ? 922 TYR B CE1 1 ATOM 1810 C CE2 . TYR B 1 43 ? 44.979 22.070 32.842 1.00 80.79 ? 922 TYR B CE2 1 ATOM 1811 C CZ . TYR B 1 43 ? 46.363 22.063 32.818 1.00 90.97 ? 922 TYR B CZ 1 ATOM 1812 O OH . TYR B 1 43 ? 47.068 22.089 33.997 1.00 93.95 ? 922 TYR B OH 1 ATOM 1813 N N . THR B 1 44 ? 43.787 23.060 26.164 1.00 67.51 ? 923 THR B N 1 ATOM 1814 C CA . THR B 1 44 ? 43.056 22.911 24.928 1.00 66.39 ? 923 THR B CA 1 ATOM 1815 C C . THR B 1 44 ? 43.286 21.499 24.412 1.00 65.99 ? 923 THR B C 1 ATOM 1816 O O . THR B 1 44 ? 44.426 21.083 24.228 1.00 64.04 ? 923 THR B O 1 ATOM 1817 C CB . THR B 1 44 ? 43.382 24.029 23.957 1.00 76.88 ? 923 THR B CB 1 ATOM 1818 O OG1 . THR B 1 44 ? 43.244 25.287 24.646 1.00 85.78 ? 923 THR B OG1 1 ATOM 1819 C CG2 . THR B 1 44 ? 42.510 23.982 22.720 1.00 74.06 ? 923 THR B CG2 1 ATOM 1820 N N . VAL B 1 45 ? 42.204 20.743 24.262 1.00 61.82 ? 924 VAL B N 1 ATOM 1821 C CA . VAL B 1 45 ? 42.256 19.374 23.748 1.00 58.77 ? 924 VAL B CA 1 ATOM 1822 C C . VAL B 1 45 ? 41.880 19.434 22.272 1.00 64.27 ? 924 VAL B C 1 ATOM 1823 O O . VAL B 1 45 ? 40.922 20.121 21.927 1.00 65.92 ? 924 VAL B O 1 ATOM 1824 C CB . VAL B 1 45 ? 41.311 18.426 24.527 1.00 59.69 ? 924 VAL B CB 1 ATOM 1825 C CG1 . VAL B 1 45 ? 41.412 16.992 24.008 1.00 55.76 ? 924 VAL B CG1 1 ATOM 1826 C CG2 . VAL B 1 45 ? 41.603 18.481 26.026 1.00 59.75 ? 924 VAL B CG2 1 ATOM 1827 N N . ARG B 1 46 ? 42.627 18.725 21.414 1.00 58.16 ? 925 ARG B N 1 ATOM 1828 C CA . ARG B 1 46 ? 42.304 18.660 20.000 1.00 58.14 ? 925 ARG B CA 1 ATOM 1829 C C . ARG B 1 46 ? 42.249 17.217 19.541 1.00 61.74 ? 925 ARG B C 1 ATOM 1830 O O . ARG B 1 46 ? 42.990 16.361 20.047 1.00 59.79 ? 925 ARG B O 1 ATOM 1831 C CB . ARG B 1 46 ? 43.269 19.472 19.153 1.00 58.08 ? 925 ARG B CB 1 ATOM 1832 C CG . ARG B 1 46 ? 44.653 18.888 19.120 1.00 58.44 ? 925 ARG B CG 1 ATOM 1833 C CD . ARG B 1 46 ? 45.468 19.556 18.086 1.00 61.27 ? 925 ARG B CD 1 ATOM 1834 N NE . ARG B 1 46 ? 46.787 18.949 18.023 1.00 60.46 ? 925 ARG B NE 1 ATOM 1835 C CZ . ARG B 1 46 ? 47.738 19.309 17.163 1.00 73.03 ? 925 ARG B CZ 1 ATOM 1836 N NH1 . ARG B 1 46 ? 47.528 20.310 16.301 1.00 61.56 ? 925 ARG B NH1 1 ATOM 1837 N NH2 . ARG B 1 46 ? 48.911 18.688 17.167 1.00 40.58 ? 925 ARG B NH2 1 ATOM 1838 N N . TRP B 1 47 ? 41.357 16.944 18.585 1.00 59.31 ? 926 TRP B N 1 ATOM 1839 C CA . TRP B 1 47 ? 41.168 15.619 18.029 1.00 57.13 ? 926 TRP B CA 1 ATOM 1840 C C . TRP B 1 47 ? 40.735 15.694 16.598 1.00 64.81 ? 926 TRP B C 1 ATOM 1841 O O . TRP B 1 47 ? 40.093 16.661 16.167 1.00 65.50 ? 926 TRP B O 1 ATOM 1842 C CB . TRP B 1 47 ? 40.169 14.806 18.852 1.00 54.44 ? 926 TRP B CB 1 ATOM 1843 C CG . TRP B 1 47 ? 38.777 15.378 18.874 1.00 58.30 ? 926 TRP B CG 1 ATOM 1844 C CD1 . TRP B 1 47 ? 37.738 15.035 18.060 1.00 62.45 ? 926 TRP B CD1 1 ATOM 1845 C CD2 . TRP B 1 47 ? 38.293 16.438 19.717 1.00 59.64 ? 926 TRP B CD2 1 ATOM 1846 N NE1 . TRP B 1 47 ? 36.643 15.812 18.337 1.00 64.67 ? 926 TRP B NE1 1 ATOM 1847 C CE2 . TRP B 1 47 ? 36.954 16.686 19.347 1.00 66.05 ? 926 TRP B CE2 1 ATOM 1848 C CE3 . TRP B 1 47 ? 38.861 17.198 20.760 1.00 60.19 ? 926 TRP B CE3 1 ATOM 1849 C CZ2 . TRP B 1 47 ? 36.163 17.640 19.998 1.00 67.47 ? 926 TRP B CZ2 1 ATOM 1850 C CZ3 . TRP B 1 47 ? 38.082 18.157 21.388 1.00 63.64 ? 926 TRP B CZ3 1 ATOM 1851 C CH2 . TRP B 1 47 ? 36.749 18.366 21.012 1.00 67.06 ? 926 TRP B CH2 1 ATOM 1852 N N . LYS B 1 48 ? 41.084 14.638 15.869 1.00 62.06 ? 927 LYS B N 1 ATOM 1853 C CA . LYS B 1 48 ? 40.747 14.442 14.479 1.00 63.53 ? 927 LYS B CA 1 ATOM 1854 C C . LYS B 1 48 ? 40.772 12.948 14.212 1.00 72.31 ? 927 LYS B C 1 ATOM 1855 O O . LYS B 1 48 ? 41.499 12.215 14.878 1.00 68.61 ? 927 LYS B O 1 ATOM 1856 C CB . LYS B 1 48 ? 41.705 15.230 13.549 1.00 64.97 ? 927 LYS B CB 1 ATOM 1857 C CG . LYS B 1 48 ? 43.082 14.621 13.315 1.00 59.30 ? 927 LYS B CG 1 ATOM 1858 C CD . LYS B 1 48 ? 43.854 15.364 12.232 1.00 74.22 ? 927 LYS B CD 1 ATOM 1859 C CE . LYS B 1 48 ? 44.914 14.517 11.563 1.00 88.43 ? 927 LYS B CE 1 ATOM 1860 N NZ . LYS B 1 48 ? 46.258 14.633 12.199 1.00 104.72 ? 927 LYS B NZ 1 ATOM 1861 N N . THR B 1 49 ? 39.985 12.493 13.243 1.00 78.07 ? 928 THR B N 1 ATOM 1862 C CA . THR B 1 49 ? 39.992 11.085 12.894 1.00 80.04 ? 928 THR B CA 1 ATOM 1863 C C . THR B 1 49 ? 41.274 10.831 12.116 1.00 91.66 ? 928 THR B C 1 ATOM 1864 O O . THR B 1 49 ? 41.669 11.650 11.279 1.00 93.63 ? 928 THR B O 1 ATOM 1865 C CB . THR B 1 49 ? 38.779 10.661 12.049 1.00 89.02 ? 928 THR B CB 1 ATOM 1866 O OG1 . THR B 1 49 ? 38.958 11.227 10.760 1.00 97.72 ? 928 THR B OG1 1 ATOM 1867 C CG2 . THR B 1 49 ? 37.455 11.104 12.576 1.00 88.88 ? 928 THR B CG2 1 ATOM 1868 N N . ASN B 1 50 ? 41.891 9.677 12.382 1.00 92.58 ? 929 ASN B N 1 ATOM 1869 C CA . ASN B 1 50 ? 43.118 9.199 11.748 1.00 95.41 ? 929 ASN B CA 1 ATOM 1870 C C . ASN B 1 50 ? 43.016 9.208 10.196 1.00 106.30 ? 929 ASN B C 1 ATOM 1871 O O . ASN B 1 50 ? 43.969 9.618 9.524 1.00 107.00 ? 929 ASN B O 1 ATOM 1872 C CB . ASN B 1 50 ? 43.436 7.782 12.280 1.00 93.91 ? 929 ASN B CB 1 ATOM 1873 C CG . ASN B 1 50 ? 44.910 7.483 12.469 1.00 107.47 ? 929 ASN B CG 1 ATOM 1874 O OD1 . ASN B 1 50 ? 45.605 8.117 13.288 1.00 94.10 ? 929 ASN B OD1 1 ATOM 1875 N ND2 . ASN B 1 50 ? 45.406 6.474 11.733 1.00 95.62 ? 929 ASN B ND2 1 ATOM 1876 N N . ILE B 1 51 ? 41.841 8.776 9.661 1.00 107.09 ? 930 ILE B N 1 ATOM 1877 C CA . ILE B 1 51 ? 41.480 8.631 8.239 1.00 111.69 ? 930 ILE B CA 1 ATOM 1878 C C . ILE B 1 51 ? 40.040 9.192 8.003 1.00 120.89 ? 930 ILE B C 1 ATOM 1879 O O . ILE B 1 51 ? 39.122 8.804 8.737 1.00 118.12 ? 930 ILE B O 1 ATOM 1880 C CB . ILE B 1 51 ? 41.605 7.132 7.797 1.00 115.09 ? 930 ILE B CB 1 ATOM 1881 C CG1 . ILE B 1 51 ? 43.064 6.625 7.898 1.00 114.18 ? 930 ILE B CG1 1 ATOM 1882 C CG2 . ILE B 1 51 ? 41.057 6.876 6.394 1.00 119.67 ? 930 ILE B CG2 1 ATOM 1883 C CD1 . ILE B 1 51 ? 43.348 5.706 9.075 1.00 110.03 ? 930 ILE B CD1 1 ATOM 1884 N N . PRO B 1 52 ? 39.791 10.055 6.975 1.00 125.18 ? 931 PRO B N 1 ATOM 1885 C CA . PRO B 1 52 ? 40.750 10.594 5.986 1.00 129.08 ? 931 PRO B CA 1 ATOM 1886 C C . PRO B 1 52 ? 41.896 11.380 6.625 1.00 134.75 ? 931 PRO B C 1 ATOM 1887 O O . PRO B 1 52 ? 41.730 11.947 7.715 1.00 132.89 ? 931 PRO B O 1 ATOM 1888 C CB . PRO B 1 52 ? 39.862 11.428 5.044 1.00 134.99 ? 931 PRO B CB 1 ATOM 1889 C CG . PRO B 1 52 ? 38.652 11.766 5.846 1.00 137.74 ? 931 PRO B CG 1 ATOM 1890 C CD . PRO B 1 52 ? 38.427 10.573 6.729 1.00 129.27 ? 931 PRO B CD 1 ATOM 1891 N N . ALA B 1 53 ? 43.076 11.372 5.970 1.00 133.32 ? 932 ALA B N 1 ATOM 1892 C CA . ALA B 1 53 ? 44.273 12.068 6.460 1.00 132.05 ? 932 ALA B CA 1 ATOM 1893 C C . ALA B 1 53 ? 44.098 13.609 6.483 1.00 136.68 ? 932 ALA B C 1 ATOM 1894 O O . ALA B 1 53 ? 44.735 14.291 7.297 1.00 134.26 ? 932 ALA B O 1 ATOM 1895 C CB . ALA B 1 53 ? 45.478 11.683 5.617 1.00 135.12 ? 932 ALA B CB 1 ATOM 1896 N N . ASN B 1 54 ? 43.198 14.132 5.607 1.00 135.49 ? 933 ASN B N 1 ATOM 1897 C CA . ASN B 1 54 ? 42.871 15.552 5.417 1.00 137.42 ? 933 ASN B CA 1 ATOM 1898 C C . ASN B 1 54 ? 41.893 16.168 6.443 1.00 135.80 ? 933 ASN B C 1 ATOM 1899 O O . ASN B 1 54 ? 41.530 17.339 6.289 1.00 139.30 ? 933 ASN B O 1 ATOM 1900 C CB . ASN B 1 54 ? 42.327 15.765 3.997 1.00 144.98 ? 933 ASN B CB 1 ATOM 1901 C CG . ASN B 1 54 ? 43.317 15.460 2.903 1.00 175.73 ? 933 ASN B CG 1 ATOM 1902 O OD1 . ASN B 1 54 ? 43.603 14.296 2.598 1.00 172.31 ? 933 ASN B OD1 1 ATOM 1903 N ND2 . ASN B 1 54 ? 43.853 16.503 2.278 1.00 170.74 ? 933 ASN B ND2 1 ATOM 1904 N N . THR B 1 55 ? 41.470 15.401 7.475 1.00 122.77 ? 934 THR B N 1 ATOM 1905 C CA . THR B 1 55 ? 40.508 15.873 8.469 1.00 118.05 ? 934 THR B CA 1 ATOM 1906 C C . THR B 1 55 ? 41.016 17.047 9.285 1.00 112.85 ? 934 THR B C 1 ATOM 1907 O O . THR B 1 55 ? 42.131 16.993 9.807 1.00 111.02 ? 934 THR B O 1 ATOM 1908 C CB . THR B 1 55 ? 39.958 14.686 9.283 1.00 122.14 ? 934 THR B CB 1 ATOM 1909 O OG1 . THR B 1 55 ? 39.088 13.943 8.426 1.00 122.40 ? 934 THR B OG1 1 ATOM 1910 C CG2 . THR B 1 55 ? 39.190 15.116 10.549 1.00 118.65 ? 934 THR B CG2 1 ATOM 1911 N N . LYS B 1 56 ? 40.204 18.117 9.382 1.00 104.42 ? 935 LYS B N 1 ATOM 1912 C CA . LYS B 1 56 ? 40.577 19.267 10.193 1.00 100.83 ? 935 LYS B CA 1 ATOM 1913 C C . LYS B 1 56 ? 40.319 18.994 11.676 1.00 91.63 ? 935 LYS B C 1 ATOM 1914 O O . LYS B 1 56 ? 39.415 18.230 12.019 1.00 89.41 ? 935 LYS B O 1 ATOM 1915 C CB . LYS B 1 56 ? 39.947 20.565 9.677 1.00 108.50 ? 935 LYS B CB 1 ATOM 1916 C CG . LYS B 1 56 ? 40.766 21.108 8.502 1.00 114.77 ? 935 LYS B CG 1 ATOM 1917 C CD . LYS B 1 56 ? 40.117 22.261 7.766 1.00 123.52 ? 935 LYS B CD 1 ATOM 1918 C CE . LYS B 1 56 ? 40.761 22.504 6.411 1.00 134.22 ? 935 LYS B CE 1 ATOM 1919 N NZ . LYS B 1 56 ? 40.022 23.514 5.593 1.00 148.74 ? 935 LYS B NZ 1 ATOM 1920 N N . TYR B 1 57 ? 41.171 19.530 12.548 1.00 79.37 ? 936 TYR B N 1 ATOM 1921 C CA . TYR B 1 57 ? 41.036 19.288 13.985 1.00 72.32 ? 936 TYR B CA 1 ATOM 1922 C C . TYR B 1 57 ? 39.820 19.991 14.591 1.00 78.31 ? 936 TYR B C 1 ATOM 1923 O O . TYR B 1 57 ? 39.505 21.134 14.227 1.00 83.13 ? 936 TYR B O 1 ATOM 1924 C CB . TYR B 1 57 ? 42.279 19.766 14.755 1.00 68.34 ? 936 TYR B CB 1 ATOM 1925 C CG . TYR B 1 57 ? 43.481 18.851 14.716 1.00 64.07 ? 936 TYR B CG 1 ATOM 1926 C CD1 . TYR B 1 57 ? 43.583 17.760 15.580 1.00 62.59 ? 936 TYR B CD1 1 ATOM 1927 C CD2 . TYR B 1 57 ? 44.588 19.158 13.935 1.00 64.34 ? 936 TYR B CD2 1 ATOM 1928 C CE1 . TYR B 1 57 ? 44.713 16.943 15.584 1.00 59.75 ? 936 TYR B CE1 1 ATOM 1929 C CE2 . TYR B 1 57 ? 45.722 18.350 13.931 1.00 62.23 ? 936 TYR B CE2 1 ATOM 1930 C CZ . TYR B 1 57 ? 45.780 17.245 14.754 1.00 71.21 ? 936 TYR B CZ 1 ATOM 1931 O OH . TYR B 1 57 ? 46.907 16.464 14.739 1.00 82.87 ? 936 TYR B OH 1 ATOM 1932 N N . LYS B 1 58 ? 39.163 19.309 15.530 1.00 70.48 ? 937 LYS B N 1 ATOM 1933 C CA . LYS B 1 58 ? 38.111 19.869 16.349 1.00 71.44 ? 937 LYS B CA 1 ATOM 1934 C C . LYS B 1 58 ? 38.801 20.077 17.696 1.00 73.51 ? 937 LYS B C 1 ATOM 1935 O O . LYS B 1 58 ? 39.698 19.302 18.030 1.00 69.48 ? 937 LYS B O 1 ATOM 1936 C CB . LYS B 1 58 ? 36.951 18.881 16.506 1.00 73.08 ? 937 LYS B CB 1 ATOM 1937 C CG . LYS B 1 58 ? 35.673 19.235 15.719 1.00 84.59 ? 937 LYS B CG 1 ATOM 1938 C CD . LYS B 1 58 ? 34.381 18.471 16.170 1.00 98.03 ? 937 LYS B CD 1 ATOM 1939 C CE . LYS B 1 58 ? 34.319 16.936 16.023 1.00 112.09 ? 937 LYS B CE 1 ATOM 1940 N NZ . LYS B 1 58 ? 33.648 16.239 17.180 1.00 109.27 ? 937 LYS B NZ 1 ATOM 1941 N N . ASN B 1 59 ? 38.456 21.134 18.437 1.00 73.16 ? 938 ASN B N 1 ATOM 1942 C CA . ASN B 1 59 ? 39.071 21.354 19.740 1.00 72.19 ? 938 ASN B CA 1 ATOM 1943 C C . ASN B 1 59 ? 38.193 21.952 20.834 1.00 78.37 ? 938 ASN B C 1 ATOM 1944 O O . ASN B 1 59 ? 37.137 22.521 20.543 1.00 81.49 ? 938 ASN B O 1 ATOM 1945 C CB . ASN B 1 59 ? 40.472 21.954 19.668 1.00 77.37 ? 938 ASN B CB 1 ATOM 1946 C CG . ASN B 1 59 ? 40.575 23.301 19.064 1.00 103.01 ? 938 ASN B CG 1 ATOM 1947 O OD1 . ASN B 1 59 ? 39.809 24.207 19.388 1.00 94.29 ? 938 ASN B OD1 1 ATOM 1948 N ND2 . ASN B 1 59 ? 41.625 23.481 18.269 1.00 100.36 ? 938 ASN B ND2 1 ATOM 1949 N N . ALA B 1 60 ? 38.604 21.752 22.104 1.00 72.47 ? 939 ALA B N 1 ATOM 1950 C CA . ALA B 1 60 ? 37.852 22.177 23.279 1.00 73.46 ? 939 ALA B CA 1 ATOM 1951 C C . ALA B 1 60 ? 38.749 22.637 24.399 1.00 76.63 ? 939 ALA B C 1 ATOM 1952 O O . ALA B 1 60 ? 39.856 22.137 24.527 1.00 73.89 ? 939 ALA B O 1 ATOM 1953 C CB . ALA B 1 60 ? 36.997 21.031 23.765 1.00 72.11 ? 939 ALA B CB 1 ATOM 1954 N N . ASN B 1 61 ? 38.259 23.560 25.233 1.00 76.34 ? 940 ASN B N 1 ATOM 1955 C CA . ASN B 1 61 ? 38.981 24.068 26.397 1.00 76.23 ? 940 ASN B CA 1 ATOM 1956 C C . ASN B 1 61 ? 38.550 23.351 27.665 1.00 79.50 ? 940 ASN B C 1 ATOM 1957 O O . ASN B 1 61 ? 37.368 23.017 27.826 1.00 81.12 ? 940 ASN B O 1 ATOM 1958 C CB . ASN B 1 61 ? 38.766 25.568 26.559 1.00 80.47 ? 940 ASN B CB 1 ATOM 1959 C CG . ASN B 1 61 ? 39.439 26.419 25.520 1.00 109.46 ? 940 ASN B CG 1 ATOM 1960 O OD1 . ASN B 1 61 ? 40.449 26.035 24.899 1.00 102.83 ? 940 ASN B OD1 1 ATOM 1961 N ND2 . ASN B 1 61 ? 38.877 27.602 25.329 1.00 111.47 ? 940 ASN B ND2 1 ATOM 1962 N N . ALA B 1 62 ? 39.510 23.128 28.574 1.00 74.00 ? 941 ALA B N 1 ATOM 1963 C CA . ALA B 1 62 ? 39.289 22.450 29.856 1.00 73.86 ? 941 ALA B CA 1 ATOM 1964 C C . ALA B 1 62 ? 40.051 23.145 30.954 1.00 79.75 ? 941 ALA B C 1 ATOM 1965 O O . ALA B 1 62 ? 41.116 23.695 30.706 1.00 80.16 ? 941 ALA B O 1 ATOM 1966 C CB . ALA B 1 62 ? 39.720 20.997 29.776 1.00 70.72 ? 941 ALA B CB 1 ATOM 1967 N N . THR B 1 63 ? 39.511 23.133 32.161 1.00 78.98 ? 942 THR B N 1 ATOM 1968 C CA . THR B 1 63 ? 40.140 23.791 33.303 1.00 82.46 ? 942 THR B CA 1 ATOM 1969 C C . THR B 1 63 ? 40.632 22.747 34.319 1.00 87.17 ? 942 THR B C 1 ATOM 1970 O O . THR B 1 63 ? 41.104 23.090 35.417 1.00 91.09 ? 942 THR B O 1 ATOM 1971 C CB . THR B 1 63 ? 39.217 24.898 33.882 1.00 91.15 ? 942 THR B CB 1 ATOM 1972 O OG1 . THR B 1 63 ? 37.919 24.344 34.148 1.00 89.22 ? 942 THR B OG1 1 ATOM 1973 C CG2 . THR B 1 63 ? 39.082 26.095 32.940 1.00 90.72 ? 942 THR B CG2 1 ATOM 1974 N N . THR B 1 64 ? 40.510 21.468 33.940 1.00 78.12 ? 943 THR B N 1 ATOM 1975 C CA . THR B 1 64 ? 40.925 20.328 34.757 1.00 75.77 ? 943 THR B CA 1 ATOM 1976 C C . THR B 1 64 ? 41.902 19.476 33.952 1.00 71.12 ? 943 THR B C 1 ATOM 1977 O O . THR B 1 64 ? 42.066 19.718 32.756 1.00 68.63 ? 943 THR B O 1 ATOM 1978 C CB . THR B 1 64 ? 39.693 19.522 35.242 1.00 87.58 ? 943 THR B CB 1 ATOM 1979 O OG1 . THR B 1 64 ? 38.924 19.089 34.124 1.00 88.82 ? 943 THR B OG1 1 ATOM 1980 C CG2 . THR B 1 64 ? 38.809 20.308 36.179 1.00 91.68 ? 943 THR B CG2 1 ATOM 1981 N N . LEU B 1 65 ? 42.551 18.487 34.599 1.00 63.03 ? 944 LEU B N 1 ATOM 1982 C CA . LEU B 1 65 ? 43.500 17.579 33.959 1.00 58.17 ? 944 LEU B CA 1 ATOM 1983 C C . LEU B 1 65 ? 42.843 16.385 33.230 1.00 61.93 ? 944 LEU B C 1 ATOM 1984 O O . LEU B 1 65 ? 43.405 15.282 33.176 1.00 60.76 ? 944 LEU B O 1 ATOM 1985 C CB . LEU B 1 65 ? 44.558 17.123 34.962 1.00 58.53 ? 944 LEU B CB 1 ATOM 1986 C CG . LEU B 1 65 ? 45.492 18.184 35.511 1.00 63.32 ? 944 LEU B CG 1 ATOM 1987 C CD1 . LEU B 1 65 ? 46.338 17.581 36.545 1.00 64.49 ? 944 LEU B CD1 1 ATOM 1988 C CD2 . LEU B 1 65 ? 46.397 18.763 34.427 1.00 63.56 ? 944 LEU B CD2 1 ATOM 1989 N N . SER B 1 66 ? 41.647 16.636 32.655 1.00 59.75 ? 945 SER B N 1 ATOM 1990 C CA . SER B 1 66 ? 40.857 15.694 31.884 1.00 57.61 ? 945 SER B CA 1 ATOM 1991 C C . SER B 1 66 ? 39.773 16.413 31.074 1.00 63.22 ? 945 SER B C 1 ATOM 1992 O O . SER B 1 66 ? 39.330 17.515 31.434 1.00 65.66 ? 945 SER B O 1 ATOM 1993 C CB . SER B 1 66 ? 40.227 14.629 32.773 1.00 61.50 ? 945 SER B CB 1 ATOM 1994 O OG . SER B 1 66 ? 39.203 15.189 33.570 1.00 73.26 ? 945 SER B OG 1 ATOM 1995 N N . TYR B 1 67 ? 39.356 15.777 29.971 1.00 57.31 ? 946 TYR B N 1 ATOM 1996 C CA . TYR B 1 67 ? 38.315 16.265 29.085 1.00 58.33 ? 946 TYR B CA 1 ATOM 1997 C C . TYR B 1 67 ? 37.548 15.101 28.490 1.00 65.62 ? 946 TYR B C 1 ATOM 1998 O O . TYR B 1 67 ? 38.128 14.097 28.057 1.00 63.84 ? 946 TYR B O 1 ATOM 1999 C CB . TYR B 1 67 ? 38.838 17.225 27.990 1.00 57.77 ? 946 TYR B CB 1 ATOM 2000 C CG . TYR B 1 67 ? 37.725 17.858 27.186 1.00 61.75 ? 946 TYR B CG 1 ATOM 2001 C CD1 . TYR B 1 67 ? 36.973 18.901 27.706 1.00 67.67 ? 946 TYR B CD1 1 ATOM 2002 C CD2 . TYR B 1 67 ? 37.360 17.351 25.943 1.00 62.26 ? 946 TYR B CD2 1 ATOM 2003 C CE1 . TYR B 1 67 ? 35.880 19.421 27.016 1.00 72.06 ? 946 TYR B CE1 1 ATOM 2004 C CE2 . TYR B 1 67 ? 36.253 17.852 25.250 1.00 66.18 ? 946 TYR B CE2 1 ATOM 2005 C CZ . TYR B 1 67 ? 35.514 18.889 25.793 1.00 74.76 ? 946 TYR B CZ 1 ATOM 2006 O OH . TYR B 1 67 ? 34.445 19.447 25.117 1.00 73.78 ? 946 TYR B OH 1 ATOM 2007 N N . LEU B 1 68 ? 36.227 15.247 28.462 1.00 65.77 ? 947 LEU B N 1 ATOM 2008 C CA . LEU B 1 68 ? 35.349 14.235 27.911 1.00 65.11 ? 947 LEU B CA 1 ATOM 2009 C C . LEU B 1 68 ? 35.005 14.603 26.483 1.00 65.86 ? 947 LEU B C 1 ATOM 2010 O O . LEU B 1 68 ? 34.254 15.539 26.240 1.00 65.98 ? 947 LEU B O 1 ATOM 2011 C CB . LEU B 1 68 ? 34.105 14.178 28.773 1.00 69.67 ? 947 LEU B CB 1 ATOM 2012 C CG . LEU B 1 68 ? 33.252 12.970 28.638 1.00 74.73 ? 947 LEU B CG 1 ATOM 2013 C CD1 . LEU B 1 68 ? 33.919 11.813 29.313 1.00 73.68 ? 947 LEU B CD1 1 ATOM 2014 C CD2 . LEU B 1 68 ? 31.875 13.242 29.238 1.00 78.01 ? 947 LEU B CD2 1 ATOM 2015 N N . VAL B 1 69 ? 35.616 13.923 25.530 1.00 61.16 ? 948 VAL B N 1 ATOM 2016 C CA . VAL B 1 69 ? 35.362 14.206 24.116 1.00 60.70 ? 948 VAL B CA 1 ATOM 2017 C C . VAL B 1 69 ? 34.104 13.485 23.712 1.00 66.59 ? 948 VAL B C 1 ATOM 2018 O O . VAL B 1 69 ? 34.057 12.260 23.764 1.00 65.43 ? 948 VAL B O 1 ATOM 2019 C CB . VAL B 1 69 ? 36.528 13.889 23.166 1.00 61.49 ? 948 VAL B CB 1 ATOM 2020 C CG1 . VAL B 1 69 ? 36.190 14.374 21.761 1.00 62.75 ? 948 VAL B CG1 1 ATOM 2021 C CG2 . VAL B 1 69 ? 37.846 14.491 23.658 1.00 59.08 ? 948 VAL B CG2 1 ATOM 2022 N N . THR B 1 70 ? 33.064 14.256 23.371 1.00 66.55 ? 949 THR B N 1 ATOM 2023 C CA . THR B 1 70 ? 31.743 13.779 22.986 1.00 67.98 ? 949 THR B CA 1 ATOM 2024 C C . THR B 1 70 ? 31.457 14.040 21.499 1.00 71.21 ? 949 THR B C 1 ATOM 2025 O O . THR B 1 70 ? 32.267 14.651 20.801 1.00 68.68 ? 949 THR B O 1 ATOM 2026 C CB . THR B 1 70 ? 30.667 14.365 23.923 1.00 81.60 ? 949 THR B CB 1 ATOM 2027 O OG1 . THR B 1 70 ? 30.634 15.791 23.772 1.00 90.13 ? 949 THR B OG1 1 ATOM 2028 C CG2 . THR B 1 70 ? 30.861 13.962 25.390 1.00 72.08 ? 949 THR B CG2 1 ATOM 2029 N N . GLY B 1 71 ? 30.313 13.527 21.032 1.00 70.90 ? 950 GLY B N 1 ATOM 2030 C CA . GLY B 1 71 ? 29.848 13.639 19.654 1.00 72.04 ? 950 GLY B CA 1 ATOM 2031 C C . GLY B 1 71 ? 30.741 12.984 18.614 1.00 72.66 ? 950 GLY B C 1 ATOM 2032 O O . GLY B 1 71 ? 30.689 13.356 17.437 1.00 75.71 ? 950 GLY B O 1 ATOM 2033 N N . LEU B 1 72 ? 31.564 12.012 19.026 1.00 62.79 ? 951 LEU B N 1 ATOM 2034 C CA . LEU B 1 72 ? 32.447 11.302 18.099 1.00 60.04 ? 951 LEU B CA 1 ATOM 2035 C C . LEU B 1 72 ? 31.651 10.298 17.235 1.00 62.67 ? 951 LEU B C 1 ATOM 2036 O O . LEU B 1 72 ? 30.536 9.989 17.581 1.00 61.77 ? 951 LEU B O 1 ATOM 2037 C CB . LEU B 1 72 ? 33.588 10.604 18.866 1.00 55.95 ? 951 LEU B CB 1 ATOM 2038 C CG . LEU B 1 72 ? 34.508 11.528 19.649 1.00 58.73 ? 951 LEU B CG 1 ATOM 2039 C CD1 . LEU B 1 72 ? 35.355 10.764 20.644 1.00 55.42 ? 951 LEU B CD1 1 ATOM 2040 C CD2 . LEU B 1 72 ? 35.382 12.357 18.731 1.00 57.78 ? 951 LEU B CD2 1 ATOM 2041 N N . LYS B 1 73 ? 32.213 9.817 16.116 1.00 60.69 ? 952 LYS B N 1 ATOM 2042 C CA . LYS B 1 73 ? 31.524 8.849 15.251 1.00 61.85 ? 952 LYS B CA 1 ATOM 2043 C C . LYS B 1 73 ? 31.775 7.454 15.800 1.00 62.17 ? 952 LYS B C 1 ATOM 2044 O O . LYS B 1 73 ? 32.886 7.182 16.264 1.00 60.04 ? 952 LYS B O 1 ATOM 2045 C CB . LYS B 1 73 ? 32.002 8.933 13.785 1.00 64.22 ? 952 LYS B CB 1 ATOM 2046 C CG . LYS B 1 73 ? 31.528 10.185 13.060 1.00 79.84 ? 952 LYS B CG 1 ATOM 2047 C CD . LYS B 1 73 ? 31.110 9.967 11.603 1.00 96.33 ? 952 LYS B CD 1 ATOM 2048 C CE . LYS B 1 73 ? 30.007 10.922 11.170 1.00 115.28 ? 952 LYS B CE 1 ATOM 2049 N NZ . LYS B 1 73 ? 28.646 10.528 11.644 1.00 120.18 ? 952 LYS B NZ 1 ATOM 2050 N N . PRO B 1 74 ? 30.788 6.537 15.734 1.00 56.60 ? 953 PRO B N 1 ATOM 2051 C CA . PRO B 1 74 ? 31.048 5.159 16.202 1.00 55.10 ? 953 PRO B CA 1 ATOM 2052 C C . PRO B 1 74 ? 32.086 4.405 15.361 1.00 57.47 ? 953 PRO B C 1 ATOM 2053 O O . PRO B 1 74 ? 32.278 4.711 14.184 1.00 56.53 ? 953 PRO B O 1 ATOM 2054 C CB . PRO B 1 74 ? 29.660 4.495 16.148 1.00 59.17 ? 953 PRO B CB 1 ATOM 2055 C CG . PRO B 1 74 ? 28.887 5.305 15.234 1.00 65.03 ? 953 PRO B CG 1 ATOM 2056 C CD . PRO B 1 74 ? 29.429 6.686 15.204 1.00 59.57 ? 953 PRO B CD 1 ATOM 2057 N N . ASN B 1 75 ? 32.773 3.439 15.973 1.00 55.34 ? 954 ASN B N 1 ATOM 2058 C CA . ASN B 1 75 ? 33.763 2.590 15.267 1.00 55.30 ? 954 ASN B CA 1 ATOM 2059 C C . ASN B 1 75 ? 34.827 3.406 14.492 1.00 57.29 ? 954 ASN B C 1 ATOM 2060 O O . ASN B 1 75 ? 35.110 3.106 13.326 1.00 57.25 ? 954 ASN B O 1 ATOM 2061 C CB . ASN B 1 75 ? 33.017 1.582 14.343 1.00 51.18 ? 954 ASN B CB 1 ATOM 2062 C CG . ASN B 1 75 ? 33.869 0.416 13.932 1.00 59.64 ? 954 ASN B CG 1 ATOM 2063 O OD1 . ASN B 1 75 ? 34.539 -0.231 14.738 1.00 47.71 ? 954 ASN B OD1 1 ATOM 2064 N ND2 . ASN B 1 75 ? 33.842 0.093 12.667 1.00 55.63 ? 954 ASN B ND2 1 ATOM 2065 N N . THR B 1 76 ? 35.358 4.474 15.134 1.00 49.89 ? 955 THR B N 1 ATOM 2066 C CA . THR B 1 76 ? 36.291 5.398 14.496 1.00 48.74 ? 955 THR B CA 1 ATOM 2067 C C . THR B 1 76 ? 37.523 5.634 15.367 1.00 50.84 ? 955 THR B C 1 ATOM 2068 O O . THR B 1 76 ? 37.386 5.924 16.551 1.00 51.09 ? 955 THR B O 1 ATOM 2069 C CB . THR B 1 76 ? 35.566 6.734 14.134 1.00 54.74 ? 955 THR B CB 1 ATOM 2070 O OG1 . THR B 1 76 ? 34.436 6.478 13.305 1.00 61.82 ? 955 THR B OG1 1 ATOM 2071 C CG2 . THR B 1 76 ? 36.474 7.751 13.441 1.00 48.81 ? 955 THR B CG2 1 ATOM 2072 N N . LEU B 1 77 ? 38.720 5.533 14.758 1.00 46.29 ? 956 LEU B N 1 ATOM 2073 C CA . LEU B 1 77 ? 40.005 5.822 15.403 1.00 44.80 ? 956 LEU B CA 1 ATOM 2074 C C . LEU B 1 77 ? 40.274 7.346 15.352 1.00 51.16 ? 956 LEU B C 1 ATOM 2075 O O . LEU B 1 77 ? 40.160 7.950 14.284 1.00 52.39 ? 956 LEU B O 1 ATOM 2076 C CB . LEU B 1 77 ? 41.168 5.038 14.761 1.00 43.46 ? 956 LEU B CB 1 ATOM 2077 C CG . LEU B 1 77 ? 42.533 5.201 15.414 1.00 45.86 ? 956 LEU B CG 1 ATOM 2078 C CD1 . LEU B 1 77 ? 42.580 4.627 16.805 1.00 45.13 ? 956 LEU B CD1 1 ATOM 2079 C CD2 . LEU B 1 77 ? 43.578 4.581 14.597 1.00 46.43 ? 956 LEU B CD2 1 ATOM 2080 N N . TYR B 1 78 ? 40.598 7.939 16.522 1.00 45.93 ? 957 TYR B N 1 ATOM 2081 C CA . TYR B 1 78 ? 40.871 9.354 16.711 1.00 45.52 ? 957 TYR B CA 1 ATOM 2082 C C . TYR B 1 78 ? 42.243 9.525 17.334 1.00 52.67 ? 957 TYR B C 1 ATOM 2083 O O . TYR B 1 78 ? 42.704 8.641 18.060 1.00 53.82 ? 957 TYR B O 1 ATOM 2084 C CB . TYR B 1 78 ? 39.822 9.985 17.627 1.00 46.41 ? 957 TYR B CB 1 ATOM 2085 C CG . TYR B 1 78 ? 38.462 10.158 16.992 1.00 51.91 ? 957 TYR B CG 1 ATOM 2086 C CD1 . TYR B 1 78 ? 38.164 11.283 16.227 1.00 54.86 ? 957 TYR B CD1 1 ATOM 2087 C CD2 . TYR B 1 78 ? 37.453 9.211 17.185 1.00 54.35 ? 957 TYR B CD2 1 ATOM 2088 C CE1 . TYR B 1 78 ? 36.907 11.452 15.652 1.00 58.17 ? 957 TYR B CE1 1 ATOM 2089 C CE2 . TYR B 1 78 ? 36.193 9.362 16.600 1.00 57.96 ? 957 TYR B CE2 1 ATOM 2090 C CZ . TYR B 1 78 ? 35.929 10.476 15.815 1.00 67.36 ? 957 TYR B CZ 1 ATOM 2091 O OH . TYR B 1 78 ? 34.694 10.621 15.205 1.00 65.91 ? 957 TYR B OH 1 ATOM 2092 N N . GLU B 1 79 ? 42.904 10.662 17.022 1.00 49.81 ? 958 GLU B N 1 ATOM 2093 C CA . GLU B 1 79 ? 44.197 11.125 17.563 1.00 47.80 ? 958 GLU B CA 1 ATOM 2094 C C . GLU B 1 79 ? 43.848 12.292 18.492 1.00 54.00 ? 958 GLU B C 1 ATOM 2095 O O . GLU B 1 79 ? 43.019 13.132 18.145 1.00 56.90 ? 958 GLU B O 1 ATOM 2096 C CB . GLU B 1 79 ? 45.107 11.694 16.475 1.00 50.32 ? 958 GLU B CB 1 ATOM 2097 C CG . GLU B 1 79 ? 45.326 10.852 15.224 1.00 68.85 ? 958 GLU B CG 1 ATOM 2098 C CD . GLU B 1 79 ? 46.202 11.515 14.169 1.00 104.45 ? 958 GLU B CD 1 ATOM 2099 O OE1 . GLU B 1 79 ? 47.135 12.270 14.545 1.00 93.15 ? 958 GLU B OE1 1 ATOM 2100 O OE2 . GLU B 1 79 ? 45.944 11.284 12.963 1.00 118.43 ? 958 GLU B OE2 1 ATOM 2101 N N . PHE B 1 80 ? 44.494 12.376 19.628 1.00 50.42 ? 959 PHE B N 1 ATOM 2102 C CA . PHE B 1 80 ? 44.254 13.446 20.602 1.00 50.10 ? 959 PHE B CA 1 ATOM 2103 C C . PHE B 1 80 ? 45.576 14.005 21.091 1.00 56.11 ? 959 PHE B C 1 ATOM 2104 O O . PHE B 1 80 ? 46.541 13.273 21.259 1.00 54.61 ? 959 PHE B O 1 ATOM 2105 C CB . PHE B 1 80 ? 43.468 12.930 21.817 1.00 49.87 ? 959 PHE B CB 1 ATOM 2106 C CG . PHE B 1 80 ? 42.188 12.196 21.506 1.00 49.14 ? 959 PHE B CG 1 ATOM 2107 C CD1 . PHE B 1 80 ? 42.190 10.834 21.269 1.00 48.34 ? 959 PHE B CD1 1 ATOM 2108 C CD2 . PHE B 1 80 ? 40.973 12.859 21.499 1.00 51.28 ? 959 PHE B CD2 1 ATOM 2109 C CE1 . PHE B 1 80 ? 41.004 10.158 21.004 1.00 49.39 ? 959 PHE B CE1 1 ATOM 2110 C CE2 . PHE B 1 80 ? 39.777 12.176 21.214 1.00 51.99 ? 959 PHE B CE2 1 ATOM 2111 C CZ . PHE B 1 80 ? 39.802 10.831 20.983 1.00 47.99 ? 959 PHE B CZ 1 ATOM 2112 N N . SER B 1 81 ? 45.612 15.302 21.321 1.00 55.31 ? 960 SER B N 1 ATOM 2113 C CA . SER B 1 81 ? 46.751 16.034 21.867 1.00 55.36 ? 960 SER B CA 1 ATOM 2114 C C . SER B 1 81 ? 46.233 17.230 22.644 1.00 59.88 ? 960 SER B C 1 ATOM 2115 O O . SER B 1 81 ? 45.087 17.671 22.450 1.00 60.02 ? 960 SER B O 1 ATOM 2116 C CB . SER B 1 81 ? 47.773 16.413 20.801 1.00 61.44 ? 960 SER B CB 1 ATOM 2117 O OG . SER B 1 81 ? 47.185 16.556 19.519 1.00 78.86 ? 960 SER B OG 1 ATOM 2118 N N . VAL B 1 82 ? 47.023 17.649 23.623 1.00 57.58 ? 961 VAL B N 1 ATOM 2119 C CA . VAL B 1 82 ? 46.679 18.721 24.549 1.00 59.72 ? 961 VAL B CA 1 ATOM 2120 C C . VAL B 1 82 ? 47.794 19.723 24.564 1.00 64.85 ? 961 VAL B C 1 ATOM 2121 O O . VAL B 1 82 ? 48.963 19.362 24.352 1.00 63.40 ? 961 VAL B O 1 ATOM 2122 C CB . VAL B 1 82 ? 46.415 18.214 26.026 1.00 62.27 ? 961 VAL B CB 1 ATOM 2123 C CG1 . VAL B 1 82 ? 45.534 19.191 26.821 1.00 63.26 ? 961 VAL B CG1 1 ATOM 2124 C CG2 . VAL B 1 82 ? 45.822 16.808 26.058 1.00 59.89 ? 961 VAL B CG2 1 ATOM 2125 N N . MET B 1 83 ? 47.430 20.980 24.877 1.00 62.35 ? 962 MET B N 1 ATOM 2126 C CA . MET B 1 83 ? 48.351 22.092 25.104 1.00 63.89 ? 962 MET B CA 1 ATOM 2127 C C . MET B 1 83 ? 47.848 22.867 26.323 1.00 72.03 ? 962 MET B C 1 ATOM 2128 O O . MET B 1 83 ? 46.729 22.638 26.777 1.00 74.15 ? 962 MET B O 1 ATOM 2129 C CB . MET B 1 83 ? 48.480 22.976 23.869 1.00 67.10 ? 962 MET B CB 1 ATOM 2130 C CG . MET B 1 83 ? 47.257 23.793 23.595 1.00 71.44 ? 962 MET B CG 1 ATOM 2131 S SD . MET B 1 83 ? 47.590 25.072 22.405 1.00 78.35 ? 962 MET B SD 1 ATOM 2132 C CE . MET B 1 83 ? 48.391 26.262 23.437 1.00 78.86 ? 962 MET B CE 1 ATOM 2133 N N . VAL B 1 84 ? 48.676 23.749 26.863 1.00 70.34 ? 963 VAL B N 1 ATOM 2134 C CA . VAL B 1 84 ? 48.344 24.613 27.998 1.00 71.69 ? 963 VAL B CA 1 ATOM 2135 C C . VAL B 1 84 ? 48.594 26.079 27.622 1.00 79.37 ? 963 VAL B C 1 ATOM 2136 O O . VAL B 1 84 ? 49.542 26.381 26.880 1.00 78.69 ? 963 VAL B O 1 ATOM 2137 C CB . VAL B 1 84 ? 49.071 24.190 29.306 1.00 74.32 ? 963 VAL B CB 1 ATOM 2138 C CG1 . VAL B 1 84 ? 50.596 24.274 29.173 1.00 74.30 ? 963 VAL B CG1 1 ATOM 2139 C CG2 . VAL B 1 84 ? 48.566 24.978 30.520 1.00 76.77 ? 963 VAL B CG2 1 ATOM 2140 N N . THR B 1 85 ? 47.725 26.972 28.133 1.00 79.39 ? 964 THR B N 1 ATOM 2141 C CA . THR B 1 85 ? 47.794 28.423 27.964 1.00 83.70 ? 964 THR B CA 1 ATOM 2142 C C . THR B 1 85 ? 47.545 29.050 29.331 1.00 91.37 ? 964 THR B C 1 ATOM 2143 O O . THR B 1 85 ? 46.645 28.611 30.040 1.00 91.33 ? 964 THR B O 1 ATOM 2144 C CB . THR B 1 85 ? 46.735 28.907 26.935 1.00 91.76 ? 964 THR B CB 1 ATOM 2145 O OG1 . THR B 1 85 ? 46.847 28.163 25.716 1.00 88.38 ? 964 THR B OG1 1 ATOM 2146 C CG2 . THR B 1 85 ? 46.826 30.406 26.648 1.00 91.40 ? 964 THR B CG2 1 ATOM 2147 N N . LYS B 1 86 ? 48.338 30.064 29.694 1.00 92.27 ? 965 LYS B N 1 ATOM 2148 C CA . LYS B 1 86 ? 48.189 30.871 30.916 1.00 95.92 ? 965 LYS B CA 1 ATOM 2149 C C . LYS B 1 86 ? 48.543 32.299 30.513 1.00 103.28 ? 965 LYS B C 1 ATOM 2150 O O . LYS B 1 86 ? 49.717 32.693 30.533 1.00 101.73 ? 965 LYS B O 1 ATOM 2151 C CB . LYS B 1 86 ? 49.075 30.358 32.069 1.00 98.11 ? 965 LYS B CB 1 ATOM 2152 C CG . LYS B 1 86 ? 48.778 31.042 33.401 1.00 115.18 ? 965 LYS B CG 1 ATOM 2153 C CD . LYS B 1 86 ? 49.734 30.591 34.501 1.00 122.21 ? 965 LYS B CD 1 ATOM 2154 C CE . LYS B 1 86 ? 50.404 31.751 35.206 1.00 138.39 ? 965 LYS B CE 1 ATOM 2155 N NZ . LYS B 1 86 ? 49.440 32.555 36.011 1.00 150.56 ? 965 LYS B NZ 1 ATOM 2156 N N . GLY B 1 87 ? 47.523 33.016 30.060 1.00 105.08 ? 966 GLY B N 1 ATOM 2157 C CA . GLY B 1 87 ? 47.658 34.387 29.579 1.00 111.52 ? 966 GLY B CA 1 ATOM 2158 C C . GLY B 1 87 ? 48.367 34.464 28.240 1.00 117.07 ? 966 GLY B C 1 ATOM 2159 O O . GLY B 1 87 ? 47.994 33.756 27.293 1.00 113.50 ? 966 GLY B O 1 ATOM 2160 N N . ARG B 1 88 ? 49.412 35.323 28.163 1.00 118.15 ? 967 ARG B N 1 ATOM 2161 C CA . ARG B 1 88 ? 50.233 35.543 26.959 1.00 118.73 ? 967 ARG B CA 1 ATOM 2162 C C . ARG B 1 88 ? 51.057 34.286 26.589 1.00 118.08 ? 967 ARG B C 1 ATOM 2163 O O . ARG B 1 88 ? 51.366 34.070 25.414 1.00 117.25 ? 967 ARG B O 1 ATOM 2164 C CB . ARG B 1 88 ? 51.171 36.757 27.136 1.00 123.03 ? 967 ARG B CB 1 ATOM 2165 C CG . ARG B 1 88 ? 50.499 38.079 27.498 1.00 132.71 ? 967 ARG B CG 1 ATOM 2166 C CD . ARG B 1 88 ? 51.461 39.265 27.398 1.00 137.19 ? 967 ARG B CD 1 ATOM 2167 N NE . ARG B 1 88 ? 52.474 39.279 28.458 1.00 140.74 ? 967 ARG B NE 1 ATOM 2168 C CZ . ARG B 1 88 ? 53.302 40.295 28.701 1.00 159.47 ? 967 ARG B CZ 1 ATOM 2169 N NH1 . ARG B 1 88 ? 53.248 41.398 27.962 1.00 155.82 ? 967 ARG B NH1 1 ATOM 2170 N NH2 . ARG B 1 88 ? 54.184 40.219 29.689 1.00 136.77 ? 967 ARG B NH2 1 ATOM 2171 N N . ARG B 1 89 ? 51.397 33.462 27.606 1.00 111.44 ? 968 ARG B N 1 ATOM 2172 C CA . ARG B 1 89 ? 52.181 32.229 27.482 1.00 105.96 ? 968 ARG B CA 1 ATOM 2173 C C . ARG B 1 89 ? 51.332 31.045 27.055 1.00 104.41 ? 968 ARG B C 1 ATOM 2174 O O . ARG B 1 89 ? 50.162 30.950 27.415 1.00 103.58 ? 968 ARG B O 1 ATOM 2175 C CB . ARG B 1 89 ? 52.883 31.892 28.808 1.00 103.42 ? 968 ARG B CB 1 ATOM 2176 C CG . ARG B 1 89 ? 53.966 32.879 29.224 1.00 111.82 ? 968 ARG B CG 1 ATOM 2177 C CD . ARG B 1 89 ? 54.683 32.401 30.466 1.00 112.33 ? 968 ARG B CD 1 ATOM 2178 N NE . ARG B 1 89 ? 55.668 31.367 30.150 1.00 114.63 ? 968 ARG B NE 1 ATOM 2179 C CZ . ARG B 1 89 ? 55.965 30.341 30.941 1.00 123.68 ? 968 ARG B CZ 1 ATOM 2180 N NH1 . ARG B 1 89 ? 55.349 30.192 32.107 1.00 108.30 ? 968 ARG B NH1 1 ATOM 2181 N NH2 . ARG B 1 89 ? 56.869 29.446 30.565 1.00 107.67 ? 968 ARG B NH2 1 ATOM 2182 N N . SER B 1 90 ? 51.940 30.131 26.298 1.00 97.56 ? 969 SER B N 1 ATOM 2183 C CA . SER B 1 90 ? 51.323 28.888 25.836 1.00 92.35 ? 969 SER B CA 1 ATOM 2184 C C . SER B 1 90 ? 52.407 27.856 25.513 1.00 92.65 ? 969 SER B C 1 ATOM 2185 O O . SER B 1 90 ? 53.584 28.220 25.365 1.00 94.68 ? 969 SER B O 1 ATOM 2186 C CB . SER B 1 90 ? 50.377 29.130 24.658 1.00 95.90 ? 969 SER B CB 1 ATOM 2187 O OG . SER B 1 90 ? 50.937 28.845 23.387 1.00 106.08 ? 969 SER B OG 1 ATOM 2188 N N . SER B 1 91 ? 52.015 26.577 25.450 1.00 83.65 ? 970 SER B N 1 ATOM 2189 C CA . SER B 1 91 ? 52.906 25.465 25.134 1.00 80.48 ? 970 SER B CA 1 ATOM 2190 C C . SER B 1 91 ? 52.599 24.920 23.723 1.00 81.51 ? 970 SER B C 1 ATOM 2191 O O . SER B 1 91 ? 51.638 25.360 23.079 1.00 80.38 ? 970 SER B O 1 ATOM 2192 C CB . SER B 1 91 ? 52.707 24.350 26.159 1.00 80.02 ? 970 SER B CB 1 ATOM 2193 O OG . SER B 1 91 ? 51.629 23.480 25.836 1.00 77.69 ? 970 SER B OG 1 ATOM 2194 N N . THR B 1 92 ? 53.395 23.939 23.262 1.00 76.17 ? 971 THR B N 1 ATOM 2195 C CA . THR B 1 92 ? 53.095 23.262 22.004 1.00 74.15 ? 971 THR B CA 1 ATOM 2196 C C . THR B 1 92 ? 52.138 22.111 22.342 1.00 73.26 ? 971 THR B C 1 ATOM 2197 O O . THR B 1 92 ? 51.700 21.969 23.496 1.00 73.31 ? 971 THR B O 1 ATOM 2198 C CB . THR B 1 92 ? 54.346 22.761 21.276 1.00 82.94 ? 971 THR B CB 1 ATOM 2199 O OG1 . THR B 1 92 ? 55.255 22.197 22.211 1.00 85.20 ? 971 THR B OG1 1 ATOM 2200 C CG2 . THR B 1 92 ? 54.997 23.824 20.455 1.00 91.10 ? 971 THR B CG2 1 ATOM 2201 N N . TRP B 1 93 ? 51.792 21.306 21.337 1.00 64.17 ? 972 TRP B N 1 ATOM 2202 C CA . TRP B 1 93 ? 50.912 20.186 21.545 1.00 59.41 ? 972 TRP B CA 1 ATOM 2203 C C . TRP B 1 93 ? 51.702 19.036 22.124 1.00 62.83 ? 972 TRP B C 1 ATOM 2204 O O . TRP B 1 93 ? 52.872 18.815 21.769 1.00 64.37 ? 972 TRP B O 1 ATOM 2205 C CB . TRP B 1 93 ? 50.204 19.803 20.252 1.00 57.42 ? 972 TRP B CB 1 ATOM 2206 C CG . TRP B 1 93 ? 49.290 20.880 19.751 1.00 60.37 ? 972 TRP B CG 1 ATOM 2207 C CD1 . TRP B 1 93 ? 49.555 21.808 18.787 1.00 65.80 ? 972 TRP B CD1 1 ATOM 2208 C CD2 . TRP B 1 93 ? 47.976 21.174 20.244 1.00 60.26 ? 972 TRP B CD2 1 ATOM 2209 N NE1 . TRP B 1 93 ? 48.484 22.662 18.644 1.00 67.13 ? 972 TRP B NE1 1 ATOM 2210 C CE2 . TRP B 1 93 ? 47.496 22.288 19.516 1.00 66.74 ? 972 TRP B CE2 1 ATOM 2211 C CE3 . TRP B 1 93 ? 47.156 20.604 21.234 1.00 59.27 ? 972 TRP B CE3 1 ATOM 2212 C CZ2 . TRP B 1 93 ? 46.238 22.839 19.747 1.00 66.82 ? 972 TRP B CZ2 1 ATOM 2213 C CZ3 . TRP B 1 93 ? 45.916 21.163 21.464 1.00 61.50 ? 972 TRP B CZ3 1 ATOM 2214 C CH2 . TRP B 1 93 ? 45.462 22.254 20.716 1.00 65.05 ? 972 TRP B CH2 1 ATOM 2215 N N . SER B 1 94 ? 51.069 18.329 23.057 1.00 56.67 ? 973 SER B N 1 ATOM 2216 C CA . SER B 1 94 ? 51.623 17.181 23.751 1.00 54.06 ? 973 SER B CA 1 ATOM 2217 C C . SER B 1 94 ? 51.849 16.004 22.788 1.00 57.16 ? 973 SER B C 1 ATOM 2218 O O . SER B 1 94 ? 51.528 16.066 21.598 1.00 58.11 ? 973 SER B O 1 ATOM 2219 C CB . SER B 1 94 ? 50.644 16.746 24.847 1.00 51.95 ? 973 SER B CB 1 ATOM 2220 O OG . SER B 1 94 ? 49.493 16.115 24.315 1.00 47.08 ? 973 SER B OG 1 ATOM 2221 N N . MET B 1 95 ? 52.339 14.898 23.345 1.00 51.81 ? 974 MET B N 1 ATOM 2222 C CA . MET B 1 95 ? 52.416 13.602 22.690 1.00 49.56 ? 974 MET B CA 1 ATOM 2223 C C . MET B 1 95 ? 50.980 13.251 22.273 1.00 52.81 ? 974 MET B C 1 ATOM 2224 O O . MET B 1 95 ? 50.023 13.735 22.887 1.00 51.28 ? 974 MET B O 1 ATOM 2225 C CB . MET B 1 95 ? 52.933 12.539 23.688 1.00 51.61 ? 974 MET B CB 1 ATOM 2226 C CG . MET B 1 95 ? 52.138 12.484 25.035 1.00 52.71 ? 974 MET B CG 1 ATOM 2227 S SD . MET B 1 95 ? 52.100 10.895 25.852 1.00 53.87 ? 974 MET B SD 1 ATOM 2228 C CE . MET B 1 95 ? 50.851 10.006 24.804 1.00 47.40 ? 974 MET B CE 1 ATOM 2229 N N . THR B 1 96 ? 50.824 12.431 21.246 1.00 51.05 ? 975 THR B N 1 ATOM 2230 C CA . THR B 1 96 ? 49.492 12.066 20.790 1.00 48.13 ? 975 THR B CA 1 ATOM 2231 C C . THR B 1 96 ? 49.008 10.801 21.418 1.00 51.72 ? 975 THR B C 1 ATOM 2232 O O . THR B 1 96 ? 49.717 9.799 21.476 1.00 52.66 ? 975 THR B O 1 ATOM 2233 C CB . THR B 1 96 ? 49.384 12.047 19.252 1.00 56.97 ? 975 THR B CB 1 ATOM 2234 O OG1 . THR B 1 96 ? 50.360 11.151 18.739 1.00 65.30 ? 975 THR B OG1 1 ATOM 2235 C CG2 . THR B 1 96 ? 49.593 13.428 18.627 1.00 55.30 ? 975 THR B CG2 1 ATOM 2236 N N . ALA B 1 97 ? 47.776 10.841 21.889 1.00 49.33 ? 976 ALA B N 1 ATOM 2237 C CA . ALA B 1 97 ? 47.058 9.689 22.424 1.00 47.36 ? 976 ALA B CA 1 ATOM 2238 C C . ALA B 1 97 ? 46.052 9.238 21.319 1.00 49.42 ? 976 ALA B C 1 ATOM 2239 O O . ALA B 1 97 ? 45.625 10.042 20.512 1.00 47.15 ? 976 ALA B O 1 ATOM 2240 C CB . ALA B 1 97 ? 46.338 10.078 23.674 1.00 47.36 ? 976 ALA B CB 1 ATOM 2241 N N . HIS B 1 98 ? 45.767 7.945 21.230 1.00 46.14 ? 977 HIS B N 1 ATOM 2242 C CA . HIS B 1 98 ? 44.880 7.379 20.226 1.00 43.07 ? 977 HIS B CA 1 ATOM 2243 C C . HIS B 1 98 ? 43.805 6.602 20.910 1.00 51.51 ? 977 HIS B C 1 ATOM 2244 O O . HIS B 1 98 ? 44.052 5.923 21.924 1.00 51.49 ? 977 HIS B O 1 ATOM 2245 C CB . HIS B 1 98 ? 45.627 6.453 19.281 1.00 42.78 ? 977 HIS B CB 1 ATOM 2246 C CG . HIS B 1 98 ? 46.568 7.188 18.404 1.00 46.07 ? 977 HIS B CG 1 ATOM 2247 N ND1 . HIS B 1 98 ? 47.841 7.513 18.826 1.00 48.56 ? 977 HIS B ND1 1 ATOM 2248 C CD2 . HIS B 1 98 ? 46.395 7.640 17.146 1.00 47.84 ? 977 HIS B CD2 1 ATOM 2249 C CE1 . HIS B 1 98 ? 48.399 8.162 17.813 1.00 48.15 ? 977 HIS B CE1 1 ATOM 2250 N NE2 . HIS B 1 98 ? 47.570 8.262 16.784 1.00 48.42 ? 977 HIS B NE2 1 ATOM 2251 N N . GLY B 1 99 ? 42.612 6.682 20.324 1.00 51.08 ? 978 GLY B N 1 ATOM 2252 C CA . GLY B 1 99 ? 41.428 6.024 20.833 1.00 50.91 ? 978 GLY B CA 1 ATOM 2253 C C . GLY B 1 99 ? 40.396 5.821 19.762 1.00 56.89 ? 978 GLY B C 1 ATOM 2254 O O . GLY B 1 99 ? 40.110 6.746 18.997 1.00 58.70 ? 978 GLY B O 1 ATOM 2255 N N . ALA B 1 100 ? 39.849 4.593 19.692 1.00 51.30 ? 979 ALA B N 1 ATOM 2256 C CA . ALA B 1 100 ? 38.808 4.228 18.746 1.00 49.70 ? 979 ALA B CA 1 ATOM 2257 C C . ALA B 1 100 ? 37.507 4.017 19.510 1.00 53.25 ? 979 ALA B C 1 ATOM 2258 O O . ALA B 1 100 ? 37.461 3.217 20.461 1.00 51.49 ? 979 ALA B O 1 ATOM 2259 C CB . ALA B 1 100 ? 39.199 2.961 17.994 1.00 50.46 ? 979 ALA B CB 1 ATOM 2260 N N . THR B 1 101 ? 36.436 4.735 19.086 1.00 50.60 ? 980 THR B N 1 ATOM 2261 C CA . THR B 1 101 ? 35.108 4.615 19.686 1.00 51.39 ? 980 THR B CA 1 ATOM 2262 C C . THR B 1 101 ? 34.522 3.210 19.442 1.00 55.38 ? 980 THR B C 1 ATOM 2263 O O . THR B 1 101 ? 34.870 2.532 18.458 1.00 58.89 ? 980 THR B O 1 ATOM 2264 C CB . THR B 1 101 ? 34.158 5.641 19.097 1.00 57.19 ? 980 THR B CB 1 ATOM 2265 O OG1 . THR B 1 101 ? 34.202 5.555 17.667 1.00 56.52 ? 980 THR B OG1 1 ATOM 2266 C CG2 . THR B 1 101 ? 34.420 7.029 19.599 1.00 50.10 ? 980 THR B CG2 1 ATOM 2267 N N . PHE B 1 102 ? 33.613 2.795 20.323 1.00 47.98 ? 981 PHE B N 1 ATOM 2268 C CA . PHE B 1 102 ? 32.945 1.518 20.223 1.00 49.10 ? 981 PHE B CA 1 ATOM 2269 C C . PHE B 1 102 ? 31.991 1.496 19.023 1.00 60.26 ? 981 PHE B C 1 ATOM 2270 O O . PHE B 1 102 ? 31.700 2.542 18.417 1.00 60.72 ? 981 PHE B O 1 ATOM 2271 C CB . PHE B 1 102 ? 32.165 1.240 21.491 1.00 52.10 ? 981 PHE B CB 1 ATOM 2272 C CG . PHE B 1 102 ? 32.958 1.079 22.777 1.00 52.21 ? 981 PHE B CG 1 ATOM 2273 C CD1 . PHE B 1 102 ? 34.287 0.667 22.758 1.00 53.75 ? 981 PHE B CD1 1 ATOM 2274 C CD2 . PHE B 1 102 ? 32.360 1.294 24.007 1.00 55.18 ? 981 PHE B CD2 1 ATOM 2275 C CE1 . PHE B 1 102 ? 35.009 0.507 23.961 1.00 54.91 ? 981 PHE B CE1 1 ATOM 2276 C CE2 . PHE B 1 102 ? 33.065 1.107 25.203 1.00 57.57 ? 981 PHE B CE2 1 ATOM 2277 C CZ . PHE B 1 102 ? 34.382 0.727 25.172 1.00 55.25 ? 981 PHE B CZ 1 ATOM 2278 N N . GLU B 1 103 ? 31.541 0.283 18.651 1.00 58.99 ? 982 GLU B N 1 ATOM 2279 C CA . GLU B 1 103 ? 30.567 0.131 17.593 1.00 61.26 ? 982 GLU B CA 1 ATOM 2280 C C . GLU B 1 103 ? 29.194 0.576 18.144 1.00 71.74 ? 982 GLU B C 1 ATOM 2281 O O . GLU B 1 103 ? 29.021 0.782 19.361 1.00 70.11 ? 982 GLU B O 1 ATOM 2282 C CB . GLU B 1 103 ? 30.457 -1.317 17.137 1.00 63.57 ? 982 GLU B CB 1 ATOM 2283 C CG . GLU B 1 103 ? 31.677 -1.818 16.399 1.00 65.65 ? 982 GLU B CG 1 ATOM 2284 C CD . GLU B 1 103 ? 31.483 -3.166 15.728 1.00 84.87 ? 982 GLU B CD 1 ATOM 2285 O OE1 . GLU B 1 103 ? 30.398 -3.772 15.890 1.00 74.95 ? 982 GLU B OE1 1 ATOM 2286 O OE2 . GLU B 1 103 ? 32.407 -3.601 15.004 1.00 90.11 ? 982 GLU B OE2 1 ATOM 2287 N N . LEU B 1 104 ? 28.224 0.734 17.224 1.00 60.20 ? 983 LEU B N 1 ATOM 2288 C CA . LEU B 1 104 ? 26.855 1.114 17.519 1.00 57.35 ? 983 LEU B CA 1 ATOM 2289 C C . LEU B 1 104 ? 26.037 0.375 16.494 1.00 61.31 ? 983 LEU B C 1 ATOM 2290 O O . LEU B 1 104 ? 26.584 0.023 15.450 1.00 60.19 ? 983 LEU B O 1 ATOM 2291 C CB . LEU B 1 104 ? 26.702 2.629 17.345 1.00 56.93 ? 983 LEU B CB 1 ATOM 2292 C CG . LEU B 1 104 ? 25.273 3.244 17.556 1.00 58.98 ? 983 LEU B CG 1 ATOM 2293 C CD1 . LEU B 1 104 ? 24.878 3.315 19.018 1.00 57.86 ? 983 LEU B CD1 1 ATOM 2294 C CD2 . LEU B 1 104 ? 25.157 4.597 16.864 1.00 59.35 ? 983 LEU B CD2 1 ATOM 2295 N N . VAL B 1 105 ? 24.751 0.096 16.795 1.00 59.03 ? 984 VAL B N 1 ATOM 2296 C CA . VAL B 1 105 ? 23.821 -0.557 15.853 1.00 57.52 ? 984 VAL B CA 1 ATOM 2297 C C . VAL B 1 105 ? 23.823 0.220 14.536 1.00 61.29 ? 984 VAL B C 1 ATOM 2298 O O . VAL B 1 105 ? 23.969 1.456 14.551 1.00 62.98 ? 984 VAL B O 1 ATOM 2299 C CB . VAL B 1 105 ? 22.345 -0.663 16.381 1.00 60.44 ? 984 VAL B CB 1 ATOM 2300 C CG1 . VAL B 1 105 ? 22.203 -1.767 17.411 1.00 62.30 ? 984 VAL B CG1 1 ATOM 2301 C CG2 . VAL B 1 105 ? 21.859 0.654 16.960 1.00 60.30 ? 984 VAL B CG2 1 ATOM 2302 N N . PRO B 1 106 ? 23.622 -0.444 13.385 1.00 54.01 ? 985 PRO B N 1 ATOM 2303 C CA . PRO B 1 106 ? 23.507 0.324 12.145 1.00 53.02 ? 985 PRO B CA 1 ATOM 2304 C C . PRO B 1 106 ? 22.401 1.392 12.317 1.00 57.62 ? 985 PRO B C 1 ATOM 2305 O O . PRO B 1 106 ? 21.398 1.150 13.011 1.00 57.27 ? 985 PRO B O 1 ATOM 2306 C CB . PRO B 1 106 ? 23.149 -0.742 11.112 1.00 53.21 ? 985 PRO B CB 1 ATOM 2307 C CG . PRO B 1 106 ? 23.632 -2.015 11.700 1.00 56.77 ? 985 PRO B CG 1 ATOM 2308 C CD . PRO B 1 106 ? 23.413 -1.883 13.153 1.00 54.01 ? 985 PRO B CD 1 ATOM 2309 N N . THR B 1 107 ? 22.623 2.608 11.800 1.00 54.34 ? 986 THR B N 1 ATOM 2310 C CA . THR B 1 107 ? 21.610 3.668 11.962 1.00 54.02 ? 986 THR B CA 1 ATOM 2311 C C . THR B 1 107 ? 21.028 4.065 10.643 1.00 56.11 ? 986 THR B C 1 ATOM 2312 O O . THR B 1 107 ? 20.392 5.101 10.536 1.00 58.36 ? 986 THR B O 1 ATOM 2313 C CB . THR B 1 107 ? 22.161 4.840 12.784 1.00 64.67 ? 986 THR B CB 1 ATOM 2314 O OG1 . THR B 1 107 ? 23.384 5.291 12.195 1.00 73.15 ? 986 THR B OG1 1 ATOM 2315 C CG2 . THR B 1 107 ? 22.416 4.460 14.228 1.00 53.72 ? 986 THR B CG2 1 ATOM 2316 N N . SER B 1 108 ? 21.263 3.246 9.620 1.00 51.65 ? 987 SER B N 1 ATOM 2317 C CA . SER B 1 108 ? 20.822 3.467 8.252 1.00 52.12 ? 987 SER B CA 1 ATOM 2318 C C . SER B 1 108 ? 20.484 2.090 7.640 1.00 56.01 ? 987 SER B C 1 ATOM 2319 O O . SER B 1 108 ? 21.025 1.061 8.078 1.00 55.03 ? 987 SER B O 1 ATOM 2320 C CB . SER B 1 108 ? 21.894 4.236 7.459 1.00 60.05 ? 987 SER B CB 1 ATOM 2321 O OG . SER B 1 108 ? 22.663 3.519 6.496 1.00 74.12 ? 987 SER B OG 1 ATOM 2322 N N . PRO B 1 109 ? 19.541 2.016 6.690 1.00 52.47 ? 988 PRO B N 1 ATOM 2323 C CA . PRO B 1 109 ? 19.200 0.702 6.129 1.00 50.84 ? 988 PRO B CA 1 ATOM 2324 C C . PRO B 1 109 ? 20.172 0.224 5.054 1.00 54.90 ? 988 PRO B C 1 ATOM 2325 O O . PRO B 1 109 ? 20.847 1.071 4.458 1.00 59.24 ? 988 PRO B O 1 ATOM 2326 C CB . PRO B 1 109 ? 17.820 0.956 5.501 1.00 52.81 ? 988 PRO B CB 1 ATOM 2327 C CG . PRO B 1 109 ? 17.806 2.373 5.171 1.00 58.76 ? 988 PRO B CG 1 ATOM 2328 C CD . PRO B 1 109 ? 18.769 3.098 6.048 1.00 55.02 ? 988 PRO B CD 1 ATOM 2329 N N . PRO B 1 110 ? 20.158 -1.077 4.672 1.00 46.99 ? 989 PRO B N 1 ATOM 2330 C CA . PRO B 1 110 ? 20.963 -1.497 3.520 1.00 46.49 ? 989 PRO B CA 1 ATOM 2331 C C . PRO B 1 110 ? 20.489 -0.689 2.325 1.00 56.36 ? 989 PRO B C 1 ATOM 2332 O O . PRO B 1 110 ? 19.292 -0.492 2.158 1.00 60.82 ? 989 PRO B O 1 ATOM 2333 C CB . PRO B 1 110 ? 20.631 -2.993 3.372 1.00 46.71 ? 989 PRO B CB 1 ATOM 2334 C CG . PRO B 1 110 ? 20.125 -3.417 4.695 1.00 50.29 ? 989 PRO B CG 1 ATOM 2335 C CD . PRO B 1 110 ? 19.402 -2.216 5.239 1.00 46.81 ? 989 PRO B CD 1 ATOM 2336 N N . LYS B 1 111 ? 21.429 -0.134 1.562 1.00 54.91 ? 990 LYS B N 1 ATOM 2337 C CA . LYS B 1 111 ? 21.203 0.693 0.382 1.00 56.44 ? 990 LYS B CA 1 ATOM 2338 C C . LYS B 1 111 ? 20.934 -0.145 -0.874 1.00 64.15 ? 990 LYS B C 1 ATOM 2339 O O . LYS B 1 111 ? 21.242 -1.342 -0.916 1.00 63.18 ? 990 LYS B O 1 ATOM 2340 C CB . LYS B 1 111 ? 22.458 1.509 0.107 1.00 60.40 ? 990 LYS B CB 1 ATOM 2341 C CG . LYS B 1 111 ? 22.734 2.643 1.055 1.00 66.20 ? 990 LYS B CG 1 ATOM 2342 C CD . LYS B 1 111 ? 24.207 3.077 0.951 1.00 70.14 ? 990 LYS B CD 1 ATOM 2343 C CE . LYS B 1 111 ? 24.493 4.083 -0.136 1.00 82.31 ? 990 LYS B CE 1 ATOM 2344 N NZ . LYS B 1 111 ? 23.868 5.406 0.133 1.00 106.68 ? 990 LYS B NZ 1 ATOM 2345 N N . ASP B 1 112 ? 20.407 0.536 -1.919 1.00 65.25 ? 991 ASP B N 1 ATOM 2346 C CA . ASP B 1 112 ? 20.172 0.057 -3.283 1.00 67.85 ? 991 ASP B CA 1 ATOM 2347 C C . ASP B 1 112 ? 19.568 -1.343 -3.402 1.00 67.59 ? 991 ASP B C 1 ATOM 2348 O O . ASP B 1 112 ? 20.004 -2.128 -4.246 1.00 68.64 ? 991 ASP B O 1 ATOM 2349 C CB . ASP B 1 112 ? 21.448 0.221 -4.143 1.00 74.81 ? 991 ASP B CB 1 ATOM 2350 C CG . ASP B 1 112 ? 22.231 1.543 -3.949 1.00 102.55 ? 991 ASP B CG 1 ATOM 2351 O OD1 . ASP B 1 112 ? 21.610 2.638 -4.067 1.00 106.37 ? 991 ASP B OD1 1 ATOM 2352 O OD2 . ASP B 1 112 ? 23.472 1.479 -3.710 1.00 112.07 ? 991 ASP B OD2 1 ATOM 2353 N N . VAL B 1 113 ? 18.513 -1.630 -2.590 1.00 59.64 ? 992 VAL B N 1 ATOM 2354 C CA . VAL B 1 113 ? 17.801 -2.914 -2.628 1.00 56.82 ? 992 VAL B CA 1 ATOM 2355 C C . VAL B 1 113 ? 17.076 -3.071 -3.969 1.00 64.85 ? 992 VAL B C 1 ATOM 2356 O O . VAL B 1 113 ? 16.366 -2.152 -4.384 1.00 67.27 ? 992 VAL B O 1 ATOM 2357 C CB . VAL B 1 113 ? 16.835 -3.107 -1.431 1.00 56.72 ? 992 VAL B CB 1 ATOM 2358 C CG1 . VAL B 1 113 ? 16.134 -4.459 -1.480 1.00 54.57 ? 992 VAL B CG1 1 ATOM 2359 C CG2 . VAL B 1 113 ? 17.559 -2.934 -0.101 1.00 55.32 ? 992 VAL B CG2 1 ATOM 2360 N N . THR B 1 114 ? 17.302 -4.213 -4.662 1.00 60.93 ? 993 THR B N 1 ATOM 2361 C CA . THR B 1 114 ? 16.692 -4.574 -5.938 1.00 62.62 ? 993 THR B CA 1 ATOM 2362 C C . THR B 1 114 ? 16.292 -6.058 -5.923 1.00 70.21 ? 993 THR B C 1 ATOM 2363 O O . THR B 1 114 ? 16.909 -6.875 -5.230 1.00 68.84 ? 993 THR B O 1 ATOM 2364 C CB . THR B 1 114 ? 17.627 -4.287 -7.141 1.00 72.09 ? 993 THR B CB 1 ATOM 2365 O OG1 . THR B 1 114 ? 18.831 -5.049 -7.041 1.00 77.95 ? 993 THR B OG1 1 ATOM 2366 C CG2 . THR B 1 114 ? 17.939 -2.811 -7.339 1.00 67.00 ? 993 THR B CG2 1 ATOM 2367 N N . VAL B 1 115 ? 15.238 -6.398 -6.703 1.00 70.09 ? 994 VAL B N 1 ATOM 2368 C CA . VAL B 1 115 ? 14.715 -7.753 -6.865 1.00 69.35 ? 994 VAL B CA 1 ATOM 2369 C C . VAL B 1 115 ? 14.577 -8.062 -8.361 1.00 79.77 ? 994 VAL B C 1 ATOM 2370 O O . VAL B 1 115 ? 14.002 -7.285 -9.136 1.00 81.93 ? 994 VAL B O 1 ATOM 2371 C CB . VAL B 1 115 ? 13.392 -8.015 -6.097 1.00 70.06 ? 994 VAL B CB 1 ATOM 2372 C CG1 . VAL B 1 115 ? 12.997 -9.485 -6.176 1.00 69.37 ? 994 VAL B CG1 1 ATOM 2373 C CG2 . VAL B 1 115 ? 13.498 -7.571 -4.636 1.00 67.46 ? 994 VAL B CG2 1 ATOM 2374 N N . VAL B 1 116 ? 15.132 -9.205 -8.766 1.00 78.14 ? 995 VAL B N 1 ATOM 2375 C CA . VAL B 1 116 ? 15.049 -9.692 -10.134 1.00 80.17 ? 995 VAL B CA 1 ATOM 2376 C C . VAL B 1 116 ? 14.606 -11.141 -10.091 1.00 81.69 ? 995 VAL B C 1 ATOM 2377 O O . VAL B 1 116 ? 14.799 -11.823 -9.090 1.00 77.31 ? 995 VAL B O 1 ATOM 2378 C CB . VAL B 1 116 ? 16.387 -9.515 -10.930 1.00 87.35 ? 995 VAL B CB 1 ATOM 2379 C CG1 . VAL B 1 116 ? 16.721 -8.038 -11.152 1.00 87.52 ? 995 VAL B CG1 1 ATOM 2380 C CG2 . VAL B 1 116 ? 17.559 -10.259 -10.271 1.00 86.75 ? 995 VAL B CG2 1 ATOM 2381 N N . SER B 1 117 ? 14.038 -11.620 -11.182 1.00 83.81 ? 996 SER B N 1 ATOM 2382 C CA . SER B 1 117 ? 13.666 -13.024 -11.301 1.00 85.29 ? 996 SER B CA 1 ATOM 2383 C C . SER B 1 117 ? 14.915 -13.750 -11.764 1.00 89.81 ? 996 SER B C 1 ATOM 2384 O O . SER B 1 117 ? 15.691 -13.204 -12.556 1.00 91.00 ? 996 SER B O 1 ATOM 2385 C CB . SER B 1 117 ? 12.514 -13.222 -12.290 1.00 90.80 ? 996 SER B CB 1 ATOM 2386 O OG . SER B 1 117 ? 11.354 -13.686 -11.611 1.00 98.39 ? 996 SER B OG 1 ATOM 2387 N N . LYS B 1 118 ? 15.164 -14.930 -11.190 1.00 85.79 ? 997 LYS B N 1 ATOM 2388 C CA . LYS B 1 118 ? 16.303 -15.765 -11.568 1.00 87.54 ? 997 LYS B CA 1 ATOM 2389 C C . LYS B 1 118 ? 16.061 -16.290 -13.014 1.00 95.00 ? 997 LYS B C 1 ATOM 2390 O O . LYS B 1 118 ? 14.926 -16.644 -13.375 1.00 92.56 ? 997 LYS B O 1 ATOM 2391 C CB . LYS B 1 118 ? 16.494 -16.909 -10.551 1.00 88.13 ? 997 LYS B CB 1 ATOM 2392 C CG . LYS B 1 118 ? 17.813 -17.650 -10.710 1.00 90.25 ? 997 LYS B CG 1 ATOM 2393 C CD . LYS B 1 118 ? 17.774 -18.984 -9.997 1.00 97.03 ? 997 LYS B CD 1 ATOM 2394 C CE . LYS B 1 118 ? 19.091 -19.706 -10.081 1.00 108.67 ? 997 LYS B CE 1 ATOM 2395 N NZ . LYS B 1 118 ? 19.151 -20.854 -9.136 1.00 118.57 ? 997 LYS B NZ 1 ATOM 2396 N N . GLU B 1 119 ? 17.121 -16.265 -13.847 1.00 97.48 ? 998 GLU B N 1 ATOM 2397 C CA . GLU B 1 119 ? 17.087 -16.701 -15.241 1.00 103.12 ? 998 GLU B CA 1 ATOM 2398 C C . GLU B 1 119 ? 16.555 -18.126 -15.357 1.00 110.86 ? 998 GLU B C 1 ATOM 2399 O O . GLU B 1 119 ? 17.104 -19.046 -14.736 1.00 109.97 ? 998 GLU B O 1 ATOM 2400 C CB . GLU B 1 119 ? 18.485 -16.581 -15.890 1.00 108.37 ? 998 GLU B CB 1 ATOM 2401 C CG . GLU B 1 119 ? 18.532 -16.301 -17.388 1.00 124.49 ? 998 GLU B CG 1 ATOM 2402 C CD . GLU B 1 119 ? 17.239 -16.029 -18.139 1.00 161.42 ? 998 GLU B CD 1 ATOM 2403 O OE1 . GLU B 1 119 ? 16.555 -17.015 -18.496 1.00 170.69 ? 998 GLU B OE1 1 ATOM 2404 O OE2 . GLU B 1 119 ? 16.888 -14.842 -18.336 1.00 153.58 ? 998 GLU B OE2 1 ATOM 2405 N N . GLY B 1 120 ? 15.440 -18.258 -16.081 1.00 111.45 ? 999 GLY B N 1 ATOM 2406 C CA . GLY B 1 120 ? 14.758 -19.526 -16.332 1.00 115.84 ? 999 GLY B CA 1 ATOM 2407 C C . GLY B 1 120 ? 14.079 -20.179 -15.137 1.00 118.66 ? 999 GLY B C 1 ATOM 2408 O O . GLY B 1 120 ? 13.668 -21.343 -15.226 1.00 122.60 ? 999 GLY B O 1 ATOM 2409 N N . LYS B 1 121 ? 13.967 -19.453 -14.008 1.00 109.74 ? 1000 LYS B N 1 ATOM 2410 C CA . LYS B 1 121 ? 13.324 -19.945 -12.781 1.00 107.62 ? 1000 LYS B CA 1 ATOM 2411 C C . LYS B 1 121 ? 12.298 -18.901 -12.291 1.00 106.92 ? 1000 LYS B C 1 ATOM 2412 O O . LYS B 1 121 ? 12.654 -18.011 -11.518 1.00 102.75 ? 1000 LYS B O 1 ATOM 2413 C CB . LYS B 1 121 ? 14.362 -20.300 -11.683 1.00 108.76 ? 1000 LYS B CB 1 ATOM 2414 C CG . LYS B 1 121 ? 15.292 -21.480 -12.002 1.00 122.32 ? 1000 LYS B CG 1 ATOM 2415 C CD . LYS B 1 121 ? 14.610 -22.851 -11.943 1.00 132.11 ? 1000 LYS B CD 1 ATOM 2416 C CE . LYS B 1 121 ? 15.584 -23.967 -12.285 1.00 135.92 ? 1000 LYS B CE 1 ATOM 2417 N NZ . LYS B 1 121 ? 14.931 -25.306 -12.331 1.00 135.22 ? 1000 LYS B NZ 1 ATOM 2418 N N . PRO B 1 122 ? 11.032 -18.964 -12.771 1.00 103.91 ? 1001 PRO B N 1 ATOM 2419 C CA . PRO B 1 122 ? 10.038 -17.929 -12.393 1.00 99.88 ? 1001 PRO B CA 1 ATOM 2420 C C . PRO B 1 122 ? 9.639 -17.873 -10.918 1.00 98.59 ? 1001 PRO B C 1 ATOM 2421 O O . PRO B 1 122 ? 9.366 -16.780 -10.401 1.00 94.42 ? 1001 PRO B O 1 ATOM 2422 C CB . PRO B 1 122 ? 8.852 -18.223 -13.308 1.00 104.75 ? 1001 PRO B CB 1 ATOM 2423 C CG . PRO B 1 122 ? 9.008 -19.651 -13.688 1.00 113.54 ? 1001 PRO B CG 1 ATOM 2424 C CD . PRO B 1 122 ? 10.469 -19.931 -13.734 1.00 109.84 ? 1001 PRO B CD 1 ATOM 2425 N N . ARG B 1 123 ? 9.622 -19.042 -10.242 1.00 95.90 ? 1002 ARG B N 1 ATOM 2426 C CA . ARG B 1 123 ? 9.282 -19.177 -8.807 1.00 93.56 ? 1002 ARG B CA 1 ATOM 2427 C C . ARG B 1 123 ? 10.438 -18.732 -7.871 1.00 90.82 ? 1002 ARG B C 1 ATOM 2428 O O . ARG B 1 123 ? 10.273 -18.672 -6.641 1.00 87.11 ? 1002 ARG B O 1 ATOM 2429 C CB . ARG B 1 123 ? 8.834 -20.620 -8.482 1.00 99.09 ? 1002 ARG B CB 1 ATOM 2430 C CG . ARG B 1 123 ? 7.524 -21.007 -9.126 1.00 112.32 ? 1002 ARG B CG 1 ATOM 2431 C CD . ARG B 1 123 ? 6.888 -22.215 -8.477 1.00 137.58 ? 1002 ARG B CD 1 ATOM 2432 N NE . ARG B 1 123 ? 5.467 -22.309 -8.822 1.00 161.62 ? 1002 ARG B NE 1 ATOM 2433 C CZ . ARG B 1 123 ? 4.466 -21.898 -8.045 1.00 178.98 ? 1002 ARG B CZ 1 ATOM 2434 N NH1 . ARG B 1 123 ? 4.714 -21.365 -6.852 1.00 162.33 ? 1002 ARG B NH1 1 ATOM 2435 N NH2 . ARG B 1 123 ? 3.207 -22.031 -8.449 1.00 170.09 ? 1002 ARG B NH2 1 ATOM 2436 N N . THR B 1 124 ? 11.601 -18.405 -8.483 1.00 85.80 ? 1003 THR B N 1 ATOM 2437 C CA . THR B 1 124 ? 12.827 -17.979 -7.813 1.00 81.91 ? 1003 THR B CA 1 ATOM 2438 C C . THR B 1 124 ? 13.108 -16.527 -8.129 1.00 79.79 ? 1003 THR B C 1 ATOM 2439 O O . THR B 1 124 ? 12.994 -16.101 -9.288 1.00 76.54 ? 1003 THR B O 1 ATOM 2440 C CB . THR B 1 124 ? 14.030 -18.878 -8.208 1.00 90.30 ? 1003 THR B CB 1 ATOM 2441 O OG1 . THR B 1 124 ? 13.628 -20.254 -8.279 1.00 101.59 ? 1003 THR B OG1 1 ATOM 2442 C CG2 . THR B 1 124 ? 15.178 -18.758 -7.256 1.00 82.18 ? 1003 THR B CG2 1 ATOM 2443 N N . ILE B 1 125 ? 13.475 -15.760 -7.063 1.00 74.42 ? 1004 ILE B N 1 ATOM 2444 C CA . ILE B 1 125 ? 13.883 -14.359 -7.141 1.00 70.22 ? 1004 ILE B CA 1 ATOM 2445 C C . ILE B 1 125 ? 15.267 -14.169 -6.516 1.00 71.47 ? 1004 ILE B C 1 ATOM 2446 O O . ILE B 1 125 ? 15.660 -14.929 -5.627 1.00 69.33 ? 1004 ILE B O 1 ATOM 2447 C CB . ILE B 1 125 ? 12.821 -13.356 -6.582 1.00 70.30 ? 1004 ILE B CB 1 ATOM 2448 C CG1 . ILE B 1 125 ? 12.654 -13.440 -5.054 1.00 69.21 ? 1004 ILE B CG1 1 ATOM 2449 C CG2 . ILE B 1 125 ? 11.471 -13.416 -7.318 1.00 70.81 ? 1004 ILE B CG2 1 ATOM 2450 C CD1 . ILE B 1 125 ? 13.570 -12.588 -4.259 1.00 79.48 ? 1004 ILE B CD1 1 ATOM 2451 N N . ILE B 1 126 ? 15.976 -13.118 -6.951 1.00 69.49 ? 1005 ILE B N 1 ATOM 2452 C CA . ILE B 1 126 ? 17.277 -12.735 -6.385 1.00 68.60 ? 1005 ILE B CA 1 ATOM 2453 C C . ILE B 1 126 ? 17.213 -11.311 -5.774 1.00 71.79 ? 1005 ILE B C 1 ATOM 2454 O O . ILE B 1 126 ? 16.881 -10.334 -6.466 1.00 74.04 ? 1005 ILE B O 1 ATOM 2455 C CB . ILE B 1 126 ? 18.431 -12.867 -7.400 1.00 73.44 ? 1005 ILE B CB 1 ATOM 2456 C CG1 . ILE B 1 126 ? 18.439 -14.237 -8.064 1.00 76.79 ? 1005 ILE B CG1 1 ATOM 2457 C CG2 . ILE B 1 126 ? 19.761 -12.576 -6.727 1.00 72.79 ? 1005 ILE B CG2 1 ATOM 2458 C CD1 . ILE B 1 126 ? 18.886 -14.173 -9.487 1.00 90.05 ? 1005 ILE B CD1 1 ATOM 2459 N N . VAL B 1 127 ? 17.555 -11.205 -4.492 1.00 64.60 ? 1006 VAL B N 1 ATOM 2460 C CA . VAL B 1 127 ? 17.617 -9.931 -3.782 1.00 61.17 ? 1006 VAL B CA 1 ATOM 2461 C C . VAL B 1 127 ? 19.066 -9.453 -3.823 1.00 66.91 ? 1006 VAL B C 1 ATOM 2462 O O . VAL B 1 127 ? 19.985 -10.250 -3.631 1.00 67.17 ? 1006 VAL B O 1 ATOM 2463 C CB . VAL B 1 127 ? 17.070 -9.991 -2.338 1.00 60.92 ? 1006 VAL B CB 1 ATOM 2464 C CG1 . VAL B 1 127 ? 16.882 -8.593 -1.767 1.00 57.97 ? 1006 VAL B CG1 1 ATOM 2465 C CG2 . VAL B 1 127 ? 15.755 -10.747 -2.289 1.00 61.28 ? 1006 VAL B CG2 1 ATOM 2466 N N . ASN B 1 128 ? 19.259 -8.161 -4.147 1.00 62.82 ? 1007 ASN B N 1 ATOM 2467 C CA . ASN B 1 128 ? 20.568 -7.535 -4.245 1.00 62.16 ? 1007 ASN B CA 1 ATOM 2468 C C . ASN B 1 128 ? 20.519 -6.211 -3.539 1.00 65.15 ? 1007 ASN B C 1 ATOM 2469 O O . ASN B 1 128 ? 19.550 -5.468 -3.688 1.00 64.78 ? 1007 ASN B O 1 ATOM 2470 C CB . ASN B 1 128 ? 20.981 -7.355 -5.691 1.00 56.18 ? 1007 ASN B CB 1 ATOM 2471 C CG . ASN B 1 128 ? 21.297 -8.634 -6.373 1.00 79.60 ? 1007 ASN B CG 1 ATOM 2472 O OD1 . ASN B 1 128 ? 22.268 -9.307 -6.033 1.00 84.17 ? 1007 ASN B OD1 1 ATOM 2473 N ND2 . ASN B 1 128 ? 20.476 -9.008 -7.344 1.00 79.55 ? 1007 ASN B ND2 1 ATOM 2474 N N . TRP B 1 129 ? 21.558 -5.916 -2.757 1.00 60.13 ? 1008 TRP B N 1 ATOM 2475 C CA . TRP B 1 129 ? 21.638 -4.698 -1.978 1.00 58.10 ? 1008 TRP B CA 1 ATOM 2476 C C . TRP B 1 129 ? 23.094 -4.307 -1.732 1.00 60.58 ? 1008 TRP B C 1 ATOM 2477 O O . TRP B 1 129 ? 24.025 -5.014 -2.143 1.00 59.16 ? 1008 TRP B O 1 ATOM 2478 C CB . TRP B 1 129 ? 20.886 -4.900 -0.650 1.00 54.99 ? 1008 TRP B CB 1 ATOM 2479 C CG . TRP B 1 129 ? 21.491 -5.957 0.237 1.00 55.54 ? 1008 TRP B CG 1 ATOM 2480 C CD1 . TRP B 1 129 ? 22.417 -5.765 1.217 1.00 57.77 ? 1008 TRP B CD1 1 ATOM 2481 C CD2 . TRP B 1 129 ? 21.202 -7.363 0.223 1.00 56.40 ? 1008 TRP B CD2 1 ATOM 2482 N NE1 . TRP B 1 129 ? 22.722 -6.962 1.823 1.00 58.17 ? 1008 TRP B NE1 1 ATOM 2483 C CE2 . TRP B 1 129 ? 22.005 -7.967 1.219 1.00 60.75 ? 1008 TRP B CE2 1 ATOM 2484 C CE3 . TRP B 1 129 ? 20.353 -8.184 -0.550 1.00 59.47 ? 1008 TRP B CE3 1 ATOM 2485 C CZ2 . TRP B 1 129 ? 21.973 -9.360 1.481 1.00 61.42 ? 1008 TRP B CZ2 1 ATOM 2486 C CZ3 . TRP B 1 129 ? 20.338 -9.564 -0.310 1.00 62.30 ? 1008 TRP B CZ3 1 ATOM 2487 C CH2 . TRP B 1 129 ? 21.125 -10.135 0.710 1.00 63.11 ? 1008 TRP B CH2 1 ATOM 2488 N N . GLN B 1 130 ? 23.276 -3.170 -1.042 1.00 57.60 ? 1009 GLN B N 1 ATOM 2489 C CA . GLN B 1 130 ? 24.567 -2.602 -0.680 1.00 58.09 ? 1009 GLN B CA 1 ATOM 2490 C C . GLN B 1 130 ? 24.633 -2.417 0.822 1.00 61.01 ? 1009 GLN B C 1 ATOM 2491 O O . GLN B 1 130 ? 23.578 -2.252 1.440 1.00 61.08 ? 1009 GLN B O 1 ATOM 2492 C CB . GLN B 1 130 ? 24.777 -1.260 -1.402 1.00 61.42 ? 1009 GLN B CB 1 ATOM 2493 C CG . GLN B 1 130 ? 25.245 -1.410 -2.837 1.00 67.22 ? 1009 GLN B CG 1 ATOM 2494 C CD . GLN B 1 130 ? 26.584 -2.100 -2.960 1.00 91.66 ? 1009 GLN B CD 1 ATOM 2495 O OE1 . GLN B 1 130 ? 27.592 -1.681 -2.366 1.00 95.35 ? 1009 GLN B OE1 1 ATOM 2496 N NE2 . GLN B 1 130 ? 26.623 -3.173 -3.745 1.00 79.79 ? 1009 GLN B NE2 1 ATOM 2497 N N . PRO B 1 131 ? 25.826 -2.445 1.460 1.00 56.54 ? 1010 PRO B N 1 ATOM 2498 C CA . PRO B 1 131 ? 25.873 -2.235 2.911 1.00 55.20 ? 1010 PRO B CA 1 ATOM 2499 C C . PRO B 1 131 ? 25.336 -0.863 3.329 1.00 61.04 ? 1010 PRO B C 1 ATOM 2500 O O . PRO B 1 131 ? 25.409 0.094 2.546 1.00 65.92 ? 1010 PRO B O 1 ATOM 2501 C CB . PRO B 1 131 ? 27.374 -2.343 3.227 1.00 58.34 ? 1010 PRO B CB 1 ATOM 2502 C CG . PRO B 1 131 ? 27.974 -3.007 2.101 1.00 63.35 ? 1010 PRO B CG 1 ATOM 2503 C CD . PRO B 1 131 ? 27.187 -2.597 0.920 1.00 60.06 ? 1010 PRO B CD 1 ATOM 2504 N N . PRO B 1 132 ? 24.808 -0.710 4.545 1.00 54.17 ? 1011 PRO B N 1 ATOM 2505 C CA . PRO B 1 132 ? 24.314 0.615 4.946 1.00 53.67 ? 1011 PRO B CA 1 ATOM 2506 C C . PRO B 1 132 ? 25.397 1.695 4.947 1.00 58.91 ? 1011 PRO B C 1 ATOM 2507 O O . PRO B 1 132 ? 26.578 1.390 5.096 1.00 60.61 ? 1011 PRO B O 1 ATOM 2508 C CB . PRO B 1 132 ? 23.758 0.379 6.355 1.00 53.44 ? 1011 PRO B CB 1 ATOM 2509 C CG . PRO B 1 132 ? 24.436 -0.847 6.838 1.00 58.23 ? 1011 PRO B CG 1 ATOM 2510 C CD . PRO B 1 132 ? 24.628 -1.702 5.625 1.00 54.75 ? 1011 PRO B CD 1 ATOM 2511 N N . SER B 1 133 ? 24.993 2.954 4.779 1.00 56.35 ? 1012 SER B N 1 ATOM 2512 C CA . SER B 1 133 ? 25.900 4.092 4.861 1.00 58.81 ? 1012 SER B CA 1 ATOM 2513 C C . SER B 1 133 ? 26.414 4.272 6.315 1.00 61.84 ? 1012 SER B C 1 ATOM 2514 O O . SER B 1 133 ? 27.587 4.579 6.536 1.00 61.97 ? 1012 SER B O 1 ATOM 2515 C CB . SER B 1 133 ? 25.188 5.352 4.406 1.00 66.63 ? 1012 SER B CB 1 ATOM 2516 O OG . SER B 1 133 ? 25.064 5.321 2.994 1.00 81.55 ? 1012 SER B OG 1 ATOM 2517 N N . GLU B 1 134 ? 25.518 4.072 7.296 1.00 56.73 ? 1013 GLU B N 1 ATOM 2518 C CA . GLU B 1 134 ? 25.828 4.180 8.702 1.00 53.98 ? 1013 GLU B CA 1 ATOM 2519 C C . GLU B 1 134 ? 25.793 2.772 9.337 1.00 54.71 ? 1013 GLU B C 1 ATOM 2520 O O . GLU B 1 134 ? 24.915 2.454 10.142 1.00 50.30 ? 1013 GLU B O 1 ATOM 2521 C CB . GLU B 1 134 ? 24.882 5.186 9.383 1.00 55.40 ? 1013 GLU B CB 1 ATOM 2522 C CG . GLU B 1 134 ? 24.961 6.593 8.816 1.00 62.10 ? 1013 GLU B CG 1 ATOM 2523 C CD . GLU B 1 134 ? 23.927 7.607 9.283 1.00 81.76 ? 1013 GLU B CD 1 ATOM 2524 O OE1 . GLU B 1 134 ? 22.995 7.233 10.031 1.00 59.92 ? 1013 GLU B OE1 1 ATOM 2525 O OE2 . GLU B 1 134 ? 24.076 8.800 8.931 1.00 93.13 ? 1013 GLU B OE2 1 ATOM 2526 N N . ALA B 1 135 ? 26.771 1.933 8.943 1.00 55.71 ? 1014 ALA B N 1 ATOM 2527 C CA . ALA B 1 135 ? 26.949 0.565 9.456 1.00 55.93 ? 1014 ALA B CA 1 ATOM 2528 C C . ALA B 1 135 ? 27.380 0.594 10.942 1.00 62.52 ? 1014 ALA B C 1 ATOM 2529 O O . ALA B 1 135 ? 27.022 -0.304 11.721 1.00 63.69 ? 1014 ALA B O 1 ATOM 2530 C CB . ALA B 1 135 ? 27.974 -0.189 8.619 1.00 56.89 ? 1014 ALA B CB 1 ATOM 2531 N N . ASN B 1 136 ? 28.166 1.621 11.308 1.00 57.98 ? 1015 ASN B N 1 ATOM 2532 C CA . ASN B 1 136 ? 28.648 1.905 12.668 1.00 57.96 ? 1015 ASN B CA 1 ATOM 2533 C C . ASN B 1 136 ? 29.431 0.781 13.346 1.00 59.96 ? 1015 ASN B C 1 ATOM 2534 O O . ASN B 1 136 ? 29.601 0.786 14.556 1.00 57.04 ? 1015 ASN B O 1 ATOM 2535 C CB . ASN B 1 136 ? 27.493 2.392 13.547 1.00 59.08 ? 1015 ASN B CB 1 ATOM 2536 C CG . ASN B 1 136 ? 26.700 3.556 13.002 1.00 59.22 ? 1015 ASN B CG 1 ATOM 2537 O OD1 . ASN B 1 136 ? 25.508 3.707 13.324 1.00 59.84 ? 1015 ASN B OD1 1 ATOM 2538 N ND2 . ASN B 1 136 ? 27.350 4.435 12.207 1.00 35.39 ? 1015 ASN B ND2 1 ATOM 2539 N N . GLY B 1 137 ? 29.896 -0.157 12.539 1.00 59.50 ? 1016 GLY B N 1 ATOM 2540 C CA . GLY B 1 137 ? 30.675 -1.316 12.946 1.00 60.25 ? 1016 GLY B CA 1 ATOM 2541 C C . GLY B 1 137 ? 30.748 -2.324 11.818 1.00 64.43 ? 1016 GLY B C 1 ATOM 2542 O O . GLY B 1 137 ? 30.249 -2.067 10.722 1.00 62.82 ? 1016 GLY B O 1 ATOM 2543 N N . LYS B 1 138 ? 31.369 -3.481 12.073 1.00 63.42 ? 1017 LYS B N 1 ATOM 2544 C CA . LYS B 1 138 ? 31.481 -4.541 11.073 1.00 64.90 ? 1017 LYS B CA 1 ATOM 2545 C C . LYS B 1 138 ? 30.128 -5.266 10.946 1.00 70.09 ? 1017 LYS B C 1 ATOM 2546 O O . LYS B 1 138 ? 29.582 -5.746 11.950 1.00 72.13 ? 1017 LYS B O 1 ATOM 2547 C CB . LYS B 1 138 ? 32.630 -5.506 11.432 1.00 71.00 ? 1017 LYS B CB 1 ATOM 2548 C CG . LYS B 1 138 ? 32.894 -6.624 10.419 1.00 84.98 ? 1017 LYS B CG 1 ATOM 2549 C CD . LYS B 1 138 ? 33.882 -7.642 10.973 1.00 95.09 ? 1017 LYS B CD 1 ATOM 2550 C CE . LYS B 1 138 ? 33.891 -8.887 10.128 1.00 117.76 ? 1017 LYS B CE 1 ATOM 2551 N NZ . LYS B 1 138 ? 35.164 -9.047 9.354 1.00 134.61 ? 1017 LYS B NZ 1 ATOM 2552 N N . ILE B 1 139 ? 29.592 -5.317 9.717 1.00 64.13 ? 1018 ILE B N 1 ATOM 2553 C CA . ILE B 1 139 ? 28.322 -5.983 9.436 1.00 61.09 ? 1018 ILE B CA 1 ATOM 2554 C C . ILE B 1 139 ? 28.488 -7.487 9.590 1.00 67.74 ? 1018 ILE B C 1 ATOM 2555 O O . ILE B 1 139 ? 29.366 -8.084 8.945 1.00 68.40 ? 1018 ILE B O 1 ATOM 2556 C CB . ILE B 1 139 ? 27.676 -5.553 8.081 1.00 61.55 ? 1018 ILE B CB 1 ATOM 2557 C CG1 . ILE B 1 139 ? 27.391 -4.032 8.044 1.00 59.48 ? 1018 ILE B CG1 1 ATOM 2558 C CG2 . ILE B 1 139 ? 26.415 -6.360 7.763 1.00 61.65 ? 1018 ILE B CG2 1 ATOM 2559 C CD1 . ILE B 1 139 ? 26.483 -3.420 9.252 1.00 58.99 ? 1018 ILE B CD1 1 ATOM 2560 N N . THR B 1 140 ? 27.661 -8.078 10.488 1.00 64.45 ? 1019 THR B N 1 ATOM 2561 C CA . THR B 1 140 ? 27.690 -9.507 10.793 1.00 66.54 ? 1019 THR B CA 1 ATOM 2562 C C . THR B 1 140 ? 26.593 -10.303 10.044 1.00 69.39 ? 1019 THR B C 1 ATOM 2563 O O . THR B 1 140 ? 26.537 -11.530 10.145 1.00 73.66 ? 1019 THR B O 1 ATOM 2564 C CB . THR B 1 140 ? 27.622 -9.716 12.306 1.00 72.89 ? 1019 THR B CB 1 ATOM 2565 O OG1 . THR B 1 140 ? 26.417 -9.130 12.795 1.00 77.05 ? 1019 THR B OG1 1 ATOM 2566 C CG2 . THR B 1 140 ? 28.785 -9.138 13.012 1.00 69.93 ? 1019 THR B CG2 1 ATOM 2567 N N . GLY B 1 141 ? 25.723 -9.614 9.336 1.00 59.40 ? 1020 GLY B N 1 ATOM 2568 C CA . GLY B 1 141 ? 24.661 -10.293 8.620 1.00 58.91 ? 1020 GLY B CA 1 ATOM 2569 C C . GLY B 1 141 ? 23.543 -9.378 8.237 1.00 60.42 ? 1020 GLY B C 1 ATOM 2570 O O . GLY B 1 141 ? 23.621 -8.184 8.506 1.00 59.90 ? 1020 GLY B O 1 ATOM 2571 N N . TYR B 1 142 ? 22.510 -9.932 7.610 1.00 57.12 ? 1021 TYR B N 1 ATOM 2572 C CA . TYR B 1 142 ? 21.302 -9.212 7.199 1.00 55.53 ? 1021 TYR B CA 1 ATOM 2573 C C . TYR B 1 142 ? 20.091 -10.064 7.472 1.00 58.10 ? 1021 TYR B C 1 ATOM 2574 O O . TYR B 1 142 ? 20.212 -11.265 7.718 1.00 59.56 ? 1021 TYR B O 1 ATOM 2575 C CB . TYR B 1 142 ? 21.356 -8.867 5.690 1.00 57.96 ? 1021 TYR B CB 1 ATOM 2576 C CG . TYR B 1 142 ? 22.463 -7.902 5.315 1.00 61.62 ? 1021 TYR B CG 1 ATOM 2577 C CD1 . TYR B 1 142 ? 22.279 -6.530 5.408 1.00 61.44 ? 1021 TYR B CD1 1 ATOM 2578 C CD2 . TYR B 1 142 ? 23.701 -8.363 4.885 1.00 66.43 ? 1021 TYR B CD2 1 ATOM 2579 C CE1 . TYR B 1 142 ? 23.307 -5.639 5.107 1.00 62.62 ? 1021 TYR B CE1 1 ATOM 2580 C CE2 . TYR B 1 142 ? 24.726 -7.480 4.541 1.00 68.39 ? 1021 TYR B CE2 1 ATOM 2581 C CZ . TYR B 1 142 ? 24.526 -6.117 4.661 1.00 75.68 ? 1021 TYR B CZ 1 ATOM 2582 O OH . TYR B 1 142 ? 25.538 -5.245 4.345 1.00 82.01 ? 1021 TYR B OH 1 ATOM 2583 N N . ILE B 1 143 ? 18.921 -9.451 7.434 1.00 53.63 ? 1022 ILE B N 1 ATOM 2584 C CA . ILE B 1 143 ? 17.650 -10.157 7.519 1.00 54.22 ? 1022 ILE B CA 1 ATOM 2585 C C . ILE B 1 143 ? 16.712 -9.613 6.466 1.00 59.00 ? 1022 ILE B C 1 ATOM 2586 O O . ILE B 1 143 ? 16.368 -8.427 6.497 1.00 58.89 ? 1022 ILE B O 1 ATOM 2587 C CB . ILE B 1 143 ? 16.976 -10.247 8.921 1.00 56.81 ? 1022 ILE B CB 1 ATOM 2588 C CG1 . ILE B 1 143 ? 17.918 -10.888 9.968 1.00 57.56 ? 1022 ILE B CG1 1 ATOM 2589 C CG2 . ILE B 1 143 ? 15.617 -11.020 8.826 1.00 54.49 ? 1022 ILE B CG2 1 ATOM 2590 C CD1 . ILE B 1 143 ? 17.337 -10.983 11.388 1.00 57.21 ? 1022 ILE B CD1 1 ATOM 2591 N N . ILE B 1 144 ? 16.274 -10.500 5.550 1.00 54.64 ? 1023 ILE B N 1 ATOM 2592 C CA . ILE B 1 144 ? 15.271 -10.223 4.513 1.00 50.97 ? 1023 ILE B CA 1 ATOM 2593 C C . ILE B 1 144 ? 13.905 -10.600 5.042 1.00 53.77 ? 1023 ILE B C 1 ATOM 2594 O O . ILE B 1 144 ? 13.745 -11.614 5.718 1.00 53.90 ? 1023 ILE B O 1 ATOM 2595 C CB . ILE B 1 144 ? 15.605 -10.960 3.174 1.00 53.14 ? 1023 ILE B CB 1 ATOM 2596 C CG1 . ILE B 1 144 ? 17.003 -10.554 2.670 1.00 51.92 ? 1023 ILE B CG1 1 ATOM 2597 C CG2 . ILE B 1 144 ? 14.518 -10.753 2.090 1.00 51.20 ? 1023 ILE B CG2 1 ATOM 2598 C CD1 . ILE B 1 144 ? 17.436 -11.185 1.383 1.00 55.41 ? 1023 ILE B CD1 1 ATOM 2599 N N . TYR B 1 145 ? 12.915 -9.797 4.705 1.00 52.47 ? 1024 TYR B N 1 ATOM 2600 C CA . TYR B 1 145 ? 11.511 -10.053 5.026 1.00 53.41 ? 1024 TYR B CA 1 ATOM 2601 C C . TYR B 1 145 ? 10.714 -9.905 3.736 1.00 57.78 ? 1024 TYR B C 1 ATOM 2602 O O . TYR B 1 145 ? 10.936 -8.937 3.012 1.00 58.28 ? 1024 TYR B O 1 ATOM 2603 C CB . TYR B 1 145 ? 10.991 -9.044 6.050 1.00 53.89 ? 1024 TYR B CB 1 ATOM 2604 C CG . TYR B 1 145 ? 11.715 -9.031 7.370 1.00 55.41 ? 1024 TYR B CG 1 ATOM 2605 C CD1 . TYR B 1 145 ? 12.828 -8.209 7.575 1.00 55.61 ? 1024 TYR B CD1 1 ATOM 2606 C CD2 . TYR B 1 145 ? 11.234 -9.761 8.457 1.00 58.49 ? 1024 TYR B CD2 1 ATOM 2607 C CE1 . TYR B 1 145 ? 13.485 -8.172 8.813 1.00 57.77 ? 1024 TYR B CE1 1 ATOM 2608 C CE2 . TYR B 1 145 ? 11.877 -9.726 9.697 1.00 59.05 ? 1024 TYR B CE2 1 ATOM 2609 C CZ . TYR B 1 145 ? 12.987 -8.915 9.877 1.00 64.38 ? 1024 TYR B CZ 1 ATOM 2610 O OH . TYR B 1 145 ? 13.589 -8.864 11.103 1.00 67.84 ? 1024 TYR B OH 1 ATOM 2611 N N . TYR B 1 146 ? 9.774 -10.814 3.456 1.00 55.24 ? 1025 TYR B N 1 ATOM 2612 C CA . TYR B 1 146 ? 8.882 -10.666 2.303 1.00 56.16 ? 1025 TYR B CA 1 ATOM 2613 C C . TYR B 1 146 ? 7.435 -11.013 2.605 1.00 65.61 ? 1025 TYR B C 1 ATOM 2614 O O . TYR B 1 146 ? 7.153 -11.816 3.497 1.00 67.42 ? 1025 TYR B O 1 ATOM 2615 C CB . TYR B 1 146 ? 9.384 -11.365 1.060 1.00 58.11 ? 1025 TYR B CB 1 ATOM 2616 C CG . TYR B 1 146 ? 9.466 -12.870 1.148 1.00 63.45 ? 1025 TYR B CG 1 ATOM 2617 C CD1 . TYR B 1 146 ? 10.609 -13.498 1.642 1.00 65.05 ? 1025 TYR B CD1 1 ATOM 2618 C CD2 . TYR B 1 146 ? 8.424 -13.675 0.684 1.00 66.61 ? 1025 TYR B CD2 1 ATOM 2619 C CE1 . TYR B 1 146 ? 10.698 -14.889 1.705 1.00 68.90 ? 1025 TYR B CE1 1 ATOM 2620 C CE2 . TYR B 1 146 ? 8.499 -15.069 0.752 1.00 69.83 ? 1025 TYR B CE2 1 ATOM 2621 C CZ . TYR B 1 146 ? 9.652 -15.674 1.230 1.00 77.93 ? 1025 TYR B CZ 1 ATOM 2622 O OH . TYR B 1 146 ? 9.736 -17.054 1.277 1.00 82.00 ? 1025 TYR B OH 1 ATOM 2623 N N . SER B 1 147 ? 6.510 -10.369 1.895 1.00 64.43 ? 1026 SER B N 1 ATOM 2624 C CA . SER B 1 147 ? 5.081 -10.574 2.085 1.00 67.28 ? 1026 SER B CA 1 ATOM 2625 C C . SER B 1 147 ? 4.294 -10.271 0.810 1.00 74.93 ? 1026 SER B C 1 ATOM 2626 O O . SER B 1 147 ? 4.750 -9.498 -0.035 1.00 73.08 ? 1026 SER B O 1 ATOM 2627 C CB . SER B 1 147 ? 4.568 -9.688 3.216 1.00 71.74 ? 1026 SER B CB 1 ATOM 2628 O OG . SER B 1 147 ? 3.259 -10.070 3.626 1.00 91.87 ? 1026 SER B OG 1 ATOM 2629 N N . THR B 1 148 ? 3.093 -10.866 0.691 1.00 76.64 ? 1027 THR B N 1 ATOM 2630 C CA . THR B 1 148 ? 2.185 -10.598 -0.413 1.00 79.36 ? 1027 THR B CA 1 ATOM 2631 C C . THR B 1 148 ? 1.406 -9.330 -0.063 1.00 87.17 ? 1027 THR B C 1 ATOM 2632 O O . THR B 1 148 ? 0.868 -8.675 -0.959 1.00 90.80 ? 1027 THR B O 1 ATOM 2633 C CB . THR B 1 148 ? 1.278 -11.799 -0.694 1.00 89.30 ? 1027 THR B CB 1 ATOM 2634 O OG1 . THR B 1 148 ? 0.542 -12.120 0.484 1.00 98.03 ? 1027 THR B OG1 1 ATOM 2635 C CG2 . THR B 1 148 ? 2.045 -13.005 -1.183 1.00 83.07 ? 1027 THR B CG2 1 ATOM 2636 N N . ASP B 1 149 ? 1.354 -8.987 1.237 1.00 83.08 ? 1028 ASP B N 1 ATOM 2637 C CA . ASP B 1 149 ? 0.688 -7.796 1.751 1.00 85.49 ? 1028 ASP B CA 1 ATOM 2638 C C . ASP B 1 149 ? 1.709 -6.867 2.390 1.00 88.43 ? 1028 ASP B C 1 ATOM 2639 O O . ASP B 1 149 ? 2.335 -7.216 3.392 1.00 87.57 ? 1028 ASP B O 1 ATOM 2640 C CB . ASP B 1 149 ? -0.432 -8.168 2.741 1.00 91.57 ? 1028 ASP B CB 1 ATOM 2641 C CG . ASP B 1 149 ? -1.127 -7.000 3.425 1.00 106.04 ? 1028 ASP B CG 1 ATOM 2642 O OD1 . ASP B 1 149 ? -1.342 -5.954 2.761 1.00 107.00 ? 1028 ASP B OD1 1 ATOM 2643 O OD2 . ASP B 1 149 ? -1.501 -7.148 4.606 1.00 117.62 ? 1028 ASP B OD2 1 ATOM 2644 N N . VAL B 1 150 ? 1.867 -5.681 1.798 1.00 84.38 ? 1029 VAL B N 1 ATOM 2645 C CA . VAL B 1 150 ? 2.784 -4.633 2.229 1.00 81.50 ? 1029 VAL B CA 1 ATOM 2646 C C . VAL B 1 150 ? 2.417 -4.085 3.609 1.00 89.59 ? 1029 VAL B C 1 ATOM 2647 O O . VAL B 1 150 ? 3.298 -3.698 4.374 1.00 89.28 ? 1029 VAL B O 1 ATOM 2648 C CB . VAL B 1 150 ? 2.899 -3.522 1.146 1.00 84.65 ? 1029 VAL B CB 1 ATOM 2649 C CG1 . VAL B 1 150 ? 1.561 -2.845 0.852 1.00 88.69 ? 1029 VAL B CG1 1 ATOM 2650 C CG2 . VAL B 1 150 ? 3.996 -2.506 1.472 1.00 81.84 ? 1029 VAL B CG2 1 ATOM 2651 N N . ASN B 1 151 ? 1.139 -4.086 3.935 1.00 90.26 ? 1030 ASN B N 1 ATOM 2652 C CA . ASN B 1 151 ? 0.638 -3.549 5.195 1.00 93.80 ? 1030 ASN B CA 1 ATOM 2653 C C . ASN B 1 151 ? 0.577 -4.563 6.351 1.00 97.88 ? 1030 ASN B C 1 ATOM 2654 O O . ASN B 1 151 ? 0.146 -4.194 7.454 1.00 101.69 ? 1030 ASN B O 1 ATOM 2655 C CB . ASN B 1 151 ? -0.729 -2.876 4.960 1.00 103.59 ? 1030 ASN B CB 1 ATOM 2656 C CG . ASN B 1 151 ? -0.711 -1.878 3.822 1.00 130.53 ? 1030 ASN B CG 1 ATOM 2657 O OD1 . ASN B 1 151 ? 0.104 -0.938 3.787 1.00 127.22 ? 1030 ASN B OD1 1 ATOM 2658 N ND2 . ASN B 1 151 ? -1.587 -2.087 2.846 1.00 120.75 ? 1030 ASN B ND2 1 ATOM 2659 N N . ALA B 1 152 ? 1.009 -5.825 6.112 1.00 90.22 ? 1031 ALA B N 1 ATOM 2660 C CA . ALA B 1 152 ? 1.009 -6.870 7.143 1.00 90.68 ? 1031 ALA B CA 1 ATOM 2661 C C . ALA B 1 152 ? 2.012 -6.555 8.267 1.00 93.40 ? 1031 ALA B C 1 ATOM 2662 O O . ALA B 1 152 ? 3.057 -5.949 8.011 1.00 89.29 ? 1031 ALA B O 1 ATOM 2663 C CB . ALA B 1 152 ? 1.322 -8.222 6.532 1.00 89.74 ? 1031 ALA B CB 1 ATOM 2664 N N . GLU B 1 153 ? 1.682 -6.936 9.512 1.00 93.74 ? 1032 GLU B N 1 ATOM 2665 C CA . GLU B 1 153 ? 2.571 -6.725 10.654 1.00 93.01 ? 1032 GLU B CA 1 ATOM 2666 C C . GLU B 1 153 ? 3.825 -7.564 10.461 1.00 92.77 ? 1032 GLU B C 1 ATOM 2667 O O . GLU B 1 153 ? 3.762 -8.623 9.833 1.00 92.11 ? 1032 GLU B O 1 ATOM 2668 C CB . GLU B 1 153 ? 1.872 -7.030 11.979 1.00 99.69 ? 1032 GLU B CB 1 ATOM 2669 C CG . GLU B 1 153 ? 1.199 -5.802 12.583 1.00 117.22 ? 1032 GLU B CG 1 ATOM 2670 C CD . GLU B 1 153 ? 0.238 -6.039 13.733 1.00 159.10 ? 1032 GLU B CD 1 ATOM 2671 O OE1 . GLU B 1 153 ? -0.455 -7.085 13.737 1.00 167.67 ? 1032 GLU B OE1 1 ATOM 2672 O OE2 . GLU B 1 153 ? 0.140 -5.146 14.607 1.00 161.52 ? 1032 GLU B OE2 1 ATOM 2673 N N . ILE B 1 154 ? 4.972 -7.059 10.931 1.00 85.96 ? 1033 ILE B N 1 ATOM 2674 C CA . ILE B 1 154 ? 6.261 -7.713 10.725 1.00 81.42 ? 1033 ILE B CA 1 ATOM 2675 C C . ILE B 1 154 ? 6.363 -9.203 11.060 1.00 87.25 ? 1033 ILE B C 1 ATOM 2676 O O . ILE B 1 154 ? 7.073 -9.924 10.357 1.00 83.79 ? 1033 ILE B O 1 ATOM 2677 C CB . ILE B 1 154 ? 7.425 -6.854 11.237 1.00 81.22 ? 1033 ILE B CB 1 ATOM 2678 C CG1 . ILE B 1 154 ? 8.767 -7.216 10.551 1.00 77.37 ? 1033 ILE B CG1 1 ATOM 2679 C CG2 . ILE B 1 154 ? 7.483 -6.826 12.758 1.00 83.37 ? 1033 ILE B CG2 1 ATOM 2680 C CD1 . ILE B 1 154 ? 8.784 -6.942 9.085 1.00 79.46 ? 1033 ILE B CD1 1 ATOM 2681 N N . HIS B 1 155 ? 5.635 -9.666 12.093 1.00 90.30 ? 1034 HIS B N 1 ATOM 2682 C CA . HIS B 1 155 ? 5.615 -11.073 12.474 1.00 94.28 ? 1034 HIS B CA 1 ATOM 2683 C C . HIS B 1 155 ? 4.980 -11.948 11.384 1.00 94.84 ? 1034 HIS B C 1 ATOM 2684 O O . HIS B 1 155 ? 5.385 -13.098 11.212 1.00 95.33 ? 1034 HIS B O 1 ATOM 2685 C CB . HIS B 1 155 ? 4.979 -11.285 13.857 1.00 102.78 ? 1034 HIS B CB 1 ATOM 2686 C CG . HIS B 1 155 ? 3.672 -10.565 14.087 1.00 112.46 ? 1034 HIS B CG 1 ATOM 2687 N ND1 . HIS B 1 155 ? 2.452 -11.069 13.580 1.00 119.19 ? 1034 HIS B ND1 1 ATOM 2688 C CD2 . HIS B 1 155 ? 3.409 -9.448 14.809 1.00 116.94 ? 1034 HIS B CD2 1 ATOM 2689 C CE1 . HIS B 1 155 ? 1.512 -10.229 13.992 1.00 122.09 ? 1034 HIS B CE1 1 ATOM 2690 N NE2 . HIS B 1 155 ? 2.035 -9.231 14.726 1.00 121.29 ? 1034 HIS B NE2 1 ATOM 2691 N N . ASP B 1 156 ? 4.036 -11.372 10.611 1.00 88.90 ? 1035 ASP B N 1 ATOM 2692 C CA . ASP B 1 156 ? 3.335 -12.031 9.503 1.00 88.49 ? 1035 ASP B CA 1 ATOM 2693 C C . ASP B 1 156 ? 4.173 -12.152 8.226 1.00 84.31 ? 1035 ASP B C 1 ATOM 2694 O O . ASP B 1 156 ? 3.849 -12.974 7.366 1.00 85.00 ? 1035 ASP B O 1 ATOM 2695 C CB . ASP B 1 156 ? 1.982 -11.360 9.227 1.00 93.34 ? 1035 ASP B CB 1 ATOM 2696 C CG . ASP B 1 156 ? 1.034 -11.349 10.418 1.00 119.07 ? 1035 ASP B CG 1 ATOM 2697 O OD1 . ASP B 1 156 ? 1.222 -12.186 11.344 1.00 122.59 ? 1035 ASP B OD1 1 ATOM 2698 O OD2 . ASP B 1 156 ? 0.102 -10.508 10.427 1.00 132.10 ? 1035 ASP B OD2 1 ATOM 2699 N N . TRP B 1 157 ? 5.263 -11.360 8.114 1.00 74.14 ? 1036 TRP B N 1 ATOM 2700 C CA . TRP B 1 157 ? 6.200 -11.398 6.992 1.00 68.55 ? 1036 TRP B CA 1 ATOM 2701 C C . TRP B 1 157 ? 7.042 -12.648 7.106 1.00 71.73 ? 1036 TRP B C 1 ATOM 2702 O O . TRP B 1 157 ? 7.199 -13.181 8.190 1.00 73.33 ? 1036 TRP B O 1 ATOM 2703 C CB . TRP B 1 157 ? 7.111 -10.163 7.002 1.00 63.22 ? 1036 TRP B CB 1 ATOM 2704 C CG . TRP B 1 157 ? 6.431 -8.912 6.537 1.00 63.35 ? 1036 TRP B CG 1 ATOM 2705 C CD1 . TRP B 1 157 ? 5.332 -8.322 7.091 1.00 68.93 ? 1036 TRP B CD1 1 ATOM 2706 C CD2 . TRP B 1 157 ? 6.843 -8.061 5.462 1.00 60.38 ? 1036 TRP B CD2 1 ATOM 2707 N NE1 . TRP B 1 157 ? 5.005 -7.182 6.398 1.00 68.29 ? 1036 TRP B NE1 1 ATOM 2708 C CE2 . TRP B 1 157 ? 5.913 -6.998 5.387 1.00 66.36 ? 1036 TRP B CE2 1 ATOM 2709 C CE3 . TRP B 1 157 ? 7.890 -8.107 4.530 1.00 58.21 ? 1036 TRP B CE3 1 ATOM 2710 C CZ2 . TRP B 1 157 ? 5.997 -5.990 4.411 1.00 64.13 ? 1036 TRP B CZ2 1 ATOM 2711 C CZ3 . TRP B 1 157 ? 7.968 -7.119 3.558 1.00 57.98 ? 1036 TRP B CZ3 1 ATOM 2712 C CH2 . TRP B 1 157 ? 7.028 -6.078 3.502 1.00 60.37 ? 1036 TRP B CH2 1 ATOM 2713 N N . VAL B 1 158 ? 7.556 -13.137 5.983 1.00 67.47 ? 1037 VAL B N 1 ATOM 2714 C CA . VAL B 1 158 ? 8.403 -14.332 5.936 1.00 65.93 ? 1037 VAL B CA 1 ATOM 2715 C C . VAL B 1 158 ? 9.836 -13.877 6.168 1.00 72.52 ? 1037 VAL B C 1 ATOM 2716 O O . VAL B 1 158 ? 10.283 -12.959 5.496 1.00 69.54 ? 1037 VAL B O 1 ATOM 2717 C CB . VAL B 1 158 ? 8.213 -15.092 4.602 1.00 65.42 ? 1037 VAL B CB 1 ATOM 2718 C CG1 . VAL B 1 158 ? 9.018 -16.378 4.575 1.00 66.22 ? 1037 VAL B CG1 1 ATOM 2719 C CG2 . VAL B 1 158 ? 6.740 -15.377 4.364 1.00 66.63 ? 1037 VAL B CG2 1 ATOM 2720 N N . ILE B 1 159 ? 10.542 -14.485 7.147 1.00 75.46 ? 1038 ILE B N 1 ATOM 2721 C CA . ILE B 1 159 ? 11.934 -14.153 7.519 1.00 73.81 ? 1038 ILE B CA 1 ATOM 2722 C C . ILE B 1 159 ? 12.928 -14.996 6.730 1.00 76.55 ? 1038 ILE B C 1 ATOM 2723 O O . ILE B 1 159 ? 12.797 -16.222 6.671 1.00 79.14 ? 1038 ILE B O 1 ATOM 2724 C CB . ILE B 1 159 ? 12.154 -14.229 9.067 1.00 79.75 ? 1038 ILE B CB 1 ATOM 2725 C CG1 . ILE B 1 159 ? 11.451 -13.055 9.793 1.00 81.49 ? 1038 ILE B CG1 1 ATOM 2726 C CG2 . ILE B 1 159 ? 13.644 -14.207 9.465 1.00 79.95 ? 1038 ILE B CG2 1 ATOM 2727 C CD1 . ILE B 1 159 ? 9.876 -13.202 10.191 1.00 96.41 ? 1038 ILE B CD1 1 ATOM 2728 N N . GLU B 1 160 ? 13.908 -14.329 6.115 1.00 70.18 ? 1039 GLU B N 1 ATOM 2729 C CA . GLU B 1 160 ? 14.977 -14.970 5.354 1.00 71.42 ? 1039 GLU B CA 1 ATOM 2730 C C . GLU B 1 160 ? 16.327 -14.387 5.796 1.00 75.56 ? 1039 GLU B C 1 ATOM 2731 O O . GLU B 1 160 ? 16.729 -13.321 5.341 1.00 72.24 ? 1039 GLU B O 1 ATOM 2732 C CB . GLU B 1 160 ? 14.750 -14.836 3.833 1.00 72.09 ? 1039 GLU B CB 1 ATOM 2733 C CG . GLU B 1 160 ? 13.781 -15.848 3.238 1.00 77.67 ? 1039 GLU B CG 1 ATOM 2734 C CD . GLU B 1 160 ? 14.350 -17.195 2.825 1.00 98.92 ? 1039 GLU B CD 1 ATOM 2735 O OE1 . GLU B 1 160 ? 15.579 -17.402 2.951 1.00 79.79 ? 1039 GLU B OE1 1 ATOM 2736 O OE2 . GLU B 1 160 ? 13.556 -18.042 2.348 1.00 102.69 ? 1039 GLU B OE2 1 ATOM 2737 N N . PRO B 1 161 ? 17.032 -15.048 6.732 1.00 76.38 ? 1040 PRO B N 1 ATOM 2738 C CA . PRO B 1 161 ? 18.309 -14.493 7.214 1.00 74.98 ? 1040 PRO B CA 1 ATOM 2739 C C . PRO B 1 161 ? 19.463 -14.727 6.262 1.00 82.29 ? 1040 PRO B C 1 ATOM 2740 O O . PRO B 1 161 ? 19.544 -15.761 5.590 1.00 86.01 ? 1040 PRO B O 1 ATOM 2741 C CB . PRO B 1 161 ? 18.531 -15.213 8.545 1.00 79.00 ? 1040 PRO B CB 1 ATOM 2742 C CG . PRO B 1 161 ? 17.275 -16.014 8.802 1.00 86.07 ? 1040 PRO B CG 1 ATOM 2743 C CD . PRO B 1 161 ? 16.696 -16.288 7.453 1.00 81.84 ? 1040 PRO B CD 1 ATOM 2744 N N . VAL B 1 162 ? 20.346 -13.743 6.198 1.00 78.47 ? 1041 VAL B N 1 ATOM 2745 C CA . VAL B 1 162 ? 21.569 -13.740 5.385 1.00 79.67 ? 1041 VAL B CA 1 ATOM 2746 C C . VAL B 1 162 ? 22.761 -13.655 6.383 1.00 84.85 ? 1041 VAL B C 1 ATOM 2747 O O . VAL B 1 162 ? 22.920 -12.651 7.091 1.00 83.17 ? 1041 VAL B O 1 ATOM 2748 C CB . VAL B 1 162 ? 21.583 -12.553 4.360 1.00 80.38 ? 1041 VAL B CB 1 ATOM 2749 C CG1 . VAL B 1 162 ? 22.800 -12.635 3.441 1.00 82.09 ? 1041 VAL B CG1 1 ATOM 2750 C CG2 . VAL B 1 162 ? 20.294 -12.484 3.549 1.00 78.62 ? 1041 VAL B CG2 1 ATOM 2751 N N . VAL B 1 163 ? 23.567 -14.700 6.445 1.00 84.19 ? 1042 VAL B N 1 ATOM 2752 C CA . VAL B 1 163 ? 24.721 -14.725 7.346 1.00 85.52 ? 1042 VAL B CA 1 ATOM 2753 C C . VAL B 1 163 ? 26.007 -14.195 6.680 1.00 91.61 ? 1042 VAL B C 1 ATOM 2754 O O . VAL B 1 163 ? 26.366 -14.600 5.562 1.00 93.97 ? 1042 VAL B O 1 ATOM 2755 C CB . VAL B 1 163 ? 24.863 -16.025 8.192 1.00 92.61 ? 1042 VAL B CB 1 ATOM 2756 C CG1 . VAL B 1 163 ? 24.980 -17.270 7.315 1.00 96.48 ? 1042 VAL B CG1 1 ATOM 2757 C CG2 . VAL B 1 163 ? 25.983 -15.928 9.229 1.00 93.75 ? 1042 VAL B CG2 1 ATOM 2758 N N . GLY B 1 164 ? 26.648 -13.268 7.393 1.00 86.57 ? 1043 GLY B N 1 ATOM 2759 C CA . GLY B 1 164 ? 27.849 -12.567 6.968 1.00 87.13 ? 1043 GLY B CA 1 ATOM 2760 C C . GLY B 1 164 ? 27.518 -11.401 6.062 1.00 90.22 ? 1043 GLY B C 1 ATOM 2761 O O . GLY B 1 164 ? 26.348 -11.205 5.698 1.00 88.28 ? 1043 GLY B O 1 ATOM 2762 N N . ASN B 1 165 ? 28.537 -10.623 5.672 1.00 88.09 ? 1044 ASN B N 1 ATOM 2763 C CA . ASN B 1 165 ? 28.310 -9.507 4.763 1.00 86.52 ? 1044 ASN B CA 1 ATOM 2764 C C . ASN B 1 165 ? 28.213 -9.983 3.278 1.00 94.26 ? 1044 ASN B C 1 ATOM 2765 O O . ASN B 1 165 ? 29.070 -9.669 2.445 1.00 98.19 ? 1044 ASN B O 1 ATOM 2766 C CB . ASN B 1 165 ? 29.302 -8.351 4.991 1.00 88.77 ? 1044 ASN B CB 1 ATOM 2767 C CG . ASN B 1 165 ? 28.990 -7.091 4.192 1.00 109.28 ? 1044 ASN B CG 1 ATOM 2768 O OD1 . ASN B 1 165 ? 28.060 -6.331 4.505 1.00 94.20 ? 1044 ASN B OD1 1 ATOM 2769 N ND2 . ASN B 1 165 ? 29.759 -6.853 3.120 1.00 103.17 ? 1044 ASN B ND2 1 ATOM 2770 N N . ARG B 1 166 ? 27.169 -10.779 2.971 1.00 88.93 ? 1045 ARG B N 1 ATOM 2771 C CA . ARG B 1 166 ? 26.828 -11.237 1.621 1.00 88.70 ? 1045 ARG B CA 1 ATOM 2772 C C . ARG B 1 166 ? 25.895 -10.138 1.094 1.00 85.53 ? 1045 ARG B C 1 ATOM 2773 O O . ARG B 1 166 ? 25.111 -9.575 1.879 1.00 82.07 ? 1045 ARG B O 1 ATOM 2774 C CB . ARG B 1 166 ? 26.068 -12.572 1.663 1.00 91.83 ? 1045 ARG B CB 1 ATOM 2775 C CG . ARG B 1 166 ? 26.873 -13.746 2.185 1.00 115.28 ? 1045 ARG B CG 1 ATOM 2776 C CD . ARG B 1 166 ? 26.014 -14.987 2.250 1.00 134.24 ? 1045 ARG B CD 1 ATOM 2777 N NE . ARG B 1 166 ? 26.765 -16.138 2.745 1.00 157.13 ? 1045 ARG B NE 1 ATOM 2778 C CZ . ARG B 1 166 ? 27.288 -17.077 1.964 1.00 179.45 ? 1045 ARG B CZ 1 ATOM 2779 N NH1 . ARG B 1 166 ? 27.148 -17.009 0.645 1.00 170.81 ? 1045 ARG B NH1 1 ATOM 2780 N NH2 . ARG B 1 166 ? 27.949 -18.096 2.495 1.00 167.93 ? 1045 ARG B NH2 1 ATOM 2781 N N . LEU B 1 167 ? 25.998 -9.788 -0.198 1.00 78.82 ? 1046 LEU B N 1 ATOM 2782 C CA . LEU B 1 167 ? 25.153 -8.722 -0.744 1.00 73.52 ? 1046 LEU B CA 1 ATOM 2783 C C . LEU B 1 167 ? 24.072 -9.228 -1.706 1.00 76.96 ? 1046 LEU B C 1 ATOM 2784 O O . LEU B 1 167 ? 23.388 -8.448 -2.375 1.00 76.25 ? 1046 LEU B O 1 ATOM 2785 C CB . LEU B 1 167 ? 25.991 -7.570 -1.305 1.00 73.34 ? 1046 LEU B CB 1 ATOM 2786 C CG . LEU B 1 167 ? 26.890 -6.862 -0.318 1.00 75.32 ? 1046 LEU B CG 1 ATOM 2787 C CD1 . LEU B 1 167 ? 27.682 -5.797 -1.007 1.00 77.38 ? 1046 LEU B CD1 1 ATOM 2788 C CD2 . LEU B 1 167 ? 26.101 -6.243 0.810 1.00 74.09 ? 1046 LEU B CD2 1 ATOM 2789 N N . THR B 1 168 ? 23.890 -10.551 -1.711 1.00 73.41 ? 1047 THR B N 1 ATOM 2790 C CA . THR B 1 168 ? 22.909 -11.253 -2.514 1.00 72.50 ? 1047 THR B CA 1 ATOM 2791 C C . THR B 1 168 ? 22.279 -12.424 -1.743 1.00 74.11 ? 1047 THR B C 1 ATOM 2792 O O . THR B 1 168 ? 22.899 -13.005 -0.839 1.00 75.25 ? 1047 THR B O 1 ATOM 2793 C CB . THR B 1 168 ? 23.500 -11.652 -3.872 1.00 79.90 ? 1047 THR B CB 1 ATOM 2794 O OG1 . THR B 1 168 ? 22.447 -12.163 -4.681 1.00 86.52 ? 1047 THR B OG1 1 ATOM 2795 C CG2 . THR B 1 168 ? 24.628 -12.658 -3.767 1.00 79.69 ? 1047 THR B CG2 1 ATOM 2796 N N . HIS B 1 169 ? 21.032 -12.750 -2.089 1.00 67.66 ? 1048 HIS B N 1 ATOM 2797 C CA . HIS B 1 169 ? 20.291 -13.844 -1.482 1.00 66.83 ? 1048 HIS B CA 1 ATOM 2798 C C . HIS B 1 169 ? 19.199 -14.273 -2.404 1.00 71.79 ? 1048 HIS B C 1 ATOM 2799 O O . HIS B 1 169 ? 18.422 -13.443 -2.864 1.00 72.96 ? 1048 HIS B O 1 ATOM 2800 C CB . HIS B 1 169 ? 19.744 -13.487 -0.083 1.00 64.24 ? 1048 HIS B CB 1 ATOM 2801 C CG . HIS B 1 169 ? 19.095 -14.632 0.639 1.00 68.50 ? 1048 HIS B CG 1 ATOM 2802 N ND1 . HIS B 1 169 ? 19.847 -15.633 1.235 1.00 72.41 ? 1048 HIS B ND1 1 ATOM 2803 C CD2 . HIS B 1 169 ? 17.782 -14.880 0.858 1.00 69.28 ? 1048 HIS B CD2 1 ATOM 2804 C CE1 . HIS B 1 169 ? 18.971 -16.460 1.772 1.00 73.03 ? 1048 HIS B CE1 1 ATOM 2805 N NE2 . HIS B 1 169 ? 17.715 -16.046 1.571 1.00 71.54 ? 1048 HIS B NE2 1 ATOM 2806 N N . GLN B 1 170 ? 19.135 -15.573 -2.670 1.00 69.14 ? 1049 GLN B N 1 ATOM 2807 C CA . GLN B 1 170 ? 18.138 -16.178 -3.528 1.00 69.86 ? 1049 GLN B CA 1 ATOM 2808 C C . GLN B 1 170 ? 16.979 -16.722 -2.689 1.00 73.28 ? 1049 GLN B C 1 ATOM 2809 O O . GLN B 1 170 ? 17.208 -17.368 -1.667 1.00 77.02 ? 1049 GLN B O 1 ATOM 2810 C CB . GLN B 1 170 ? 18.807 -17.323 -4.261 1.00 76.30 ? 1049 GLN B CB 1 ATOM 2811 C CG . GLN B 1 170 ? 18.195 -17.647 -5.606 1.00 96.39 ? 1049 GLN B CG 1 ATOM 2812 C CD . GLN B 1 170 ? 18.808 -18.901 -6.118 1.00 113.12 ? 1049 GLN B CD 1 ATOM 2813 O OE1 . GLN B 1 170 ? 18.375 -20.002 -5.783 1.00 112.10 ? 1049 GLN B OE1 1 ATOM 2814 N NE2 . GLN B 1 170 ? 19.883 -18.757 -6.865 1.00 105.27 ? 1049 GLN B NE2 1 ATOM 2815 N N . ILE B 1 171 ? 15.742 -16.456 -3.106 1.00 67.34 ? 1050 ILE B N 1 ATOM 2816 C CA . ILE B 1 171 ? 14.525 -16.941 -2.443 1.00 66.73 ? 1050 ILE B CA 1 ATOM 2817 C C . ILE B 1 171 ? 13.744 -17.781 -3.476 1.00 77.73 ? 1050 ILE B C 1 ATOM 2818 O O . ILE B 1 171 ? 13.355 -17.269 -4.526 1.00 77.85 ? 1050 ILE B O 1 ATOM 2819 C CB . ILE B 1 171 ? 13.648 -15.830 -1.778 1.00 64.61 ? 1050 ILE B CB 1 ATOM 2820 C CG1 . ILE B 1 171 ? 14.457 -14.974 -0.803 1.00 62.03 ? 1050 ILE B CG1 1 ATOM 2821 C CG2 . ILE B 1 171 ? 12.438 -16.436 -1.072 1.00 64.45 ? 1050 ILE B CG2 1 ATOM 2822 C CD1 . ILE B 1 171 ? 13.848 -13.618 -0.480 1.00 66.98 ? 1050 ILE B CD1 1 ATOM 2823 N N . GLN B 1 172 ? 13.537 -19.070 -3.170 1.00 79.28 ? 1051 GLN B N 1 ATOM 2824 C CA . GLN B 1 172 ? 12.841 -20.018 -4.042 1.00 82.67 ? 1051 GLN B CA 1 ATOM 2825 C C . GLN B 1 172 ? 11.409 -20.276 -3.554 1.00 89.61 ? 1051 GLN B C 1 ATOM 2826 O O . GLN B 1 172 ? 11.025 -19.851 -2.441 1.00 86.93 ? 1051 GLN B O 1 ATOM 2827 C CB . GLN B 1 172 ? 13.610 -21.351 -4.092 1.00 88.05 ? 1051 GLN B CB 1 ATOM 2828 C CG . GLN B 1 172 ? 15.080 -21.227 -4.475 1.00 108.20 ? 1051 GLN B CG 1 ATOM 2829 C CD . GLN B 1 172 ? 15.873 -22.443 -4.055 1.00 145.12 ? 1051 GLN B CD 1 ATOM 2830 O OE1 . GLN B 1 172 ? 16.208 -23.307 -4.873 1.00 145.97 ? 1051 GLN B OE1 1 ATOM 2831 N NE2 . GLN B 1 172 ? 16.201 -22.535 -2.768 1.00 140.60 ? 1051 GLN B NE2 1 ATOM 2832 N N . GLU B 1 173 ? 10.628 -21.010 -4.394 1.00 90.28 ? 1052 GLU B N 1 ATOM 2833 C CA . GLU B 1 173 ? 9.246 -21.445 -4.140 1.00 92.49 ? 1052 GLU B CA 1 ATOM 2834 C C . GLU B 1 173 ? 8.203 -20.322 -3.933 1.00 93.82 ? 1052 GLU B C 1 ATOM 2835 O O . GLU B 1 173 ? 7.271 -20.470 -3.128 1.00 94.43 ? 1052 GLU B O 1 ATOM 2836 C CB . GLU B 1 173 ? 9.175 -22.497 -3.022 1.00 97.36 ? 1052 GLU B CB 1 ATOM 2837 C CG . GLU B 1 173 ? 9.878 -23.804 -3.339 1.00 115.89 ? 1052 GLU B CG 1 ATOM 2838 C CD . GLU B 1 173 ? 10.238 -24.627 -2.120 1.00 139.66 ? 1052 GLU B CD 1 ATOM 2839 O OE1 . GLU B 1 173 ? 9.631 -24.424 -1.041 1.00 131.53 ? 1052 GLU B OE1 1 ATOM 2840 O OE2 . GLU B 1 173 ? 11.144 -25.482 -2.251 1.00 135.72 ? 1052 GLU B OE2 1 ATOM 2841 N N . LEU B 1 174 ? 8.334 -19.218 -4.698 1.00 87.45 ? 1053 LEU B N 1 ATOM 2842 C CA . LEU B 1 174 ? 7.378 -18.113 -4.646 1.00 84.28 ? 1053 LEU B CA 1 ATOM 2843 C C . LEU B 1 174 ? 6.212 -18.341 -5.626 1.00 89.95 ? 1053 LEU B C 1 ATOM 2844 O O . LEU B 1 174 ? 6.422 -18.899 -6.700 1.00 90.73 ? 1053 LEU B O 1 ATOM 2845 C CB . LEU B 1 174 ? 8.069 -16.768 -4.891 1.00 79.97 ? 1053 LEU B CB 1 ATOM 2846 C CG . LEU B 1 174 ? 9.081 -16.365 -3.815 1.00 81.42 ? 1053 LEU B CG 1 ATOM 2847 C CD1 . LEU B 1 174 ? 10.206 -15.629 -4.393 1.00 78.94 ? 1053 LEU B CD1 1 ATOM 2848 C CD2 . LEU B 1 174 ? 8.473 -15.510 -2.783 1.00 81.32 ? 1053 LEU B CD2 1 ATOM 2849 N N . THR B 1 175 ? 4.982 -17.952 -5.220 1.00 87.24 ? 1054 THR B N 1 ATOM 2850 C CA . THR B 1 175 ? 3.758 -18.060 -6.017 1.00 90.43 ? 1054 THR B CA 1 ATOM 2851 C C . THR B 1 175 ? 3.898 -17.173 -7.275 1.00 95.71 ? 1054 THR B C 1 ATOM 2852 O O . THR B 1 175 ? 4.381 -16.031 -7.202 1.00 92.35 ? 1054 THR B O 1 ATOM 2853 C CB . THR B 1 175 ? 2.504 -17.686 -5.193 1.00 96.46 ? 1054 THR B CB 1 ATOM 2854 O OG1 . THR B 1 175 ? 2.562 -18.314 -3.921 1.00 100.10 ? 1054 THR B OG1 1 ATOM 2855 C CG2 . THR B 1 175 ? 1.201 -18.085 -5.886 1.00 94.33 ? 1054 THR B CG2 1 ATOM 2856 N N . LEU B 1 176 ? 3.495 -17.723 -8.423 1.00 95.82 ? 1055 LEU B N 1 ATOM 2857 C CA . LEU B 1 176 ? 3.586 -17.035 -9.700 1.00 95.95 ? 1055 LEU B CA 1 ATOM 2858 C C . LEU B 1 176 ? 2.531 -15.962 -9.836 1.00 100.25 ? 1055 LEU B C 1 ATOM 2859 O O . LEU B 1 176 ? 1.531 -16.015 -9.113 1.00 102.34 ? 1055 LEU B O 1 ATOM 2860 C CB . LEU B 1 176 ? 3.527 -18.050 -10.846 1.00 99.73 ? 1055 LEU B CB 1 ATOM 2861 C CG . LEU B 1 176 ? 4.723 -18.980 -10.922 1.00 104.67 ? 1055 LEU B CG 1 ATOM 2862 C CD1 . LEU B 1 176 ? 4.571 -19.972 -12.042 1.00 109.41 ? 1055 LEU B CD1 1 ATOM 2863 C CD2 . LEU B 1 176 ? 6.009 -18.194 -11.083 1.00 103.68 ? 1055 LEU B CD2 1 ATOM 2864 N N . ASP B 1 177 ? 2.778 -14.953 -10.716 1.00 93.90 ? 1056 ASP B N 1 ATOM 2865 C CA . ASP B 1 177 ? 1.872 -13.823 -10.983 1.00 93.44 ? 1056 ASP B CA 1 ATOM 2866 C C . ASP B 1 177 ? 1.377 -13.140 -9.676 1.00 95.00 ? 1056 ASP B C 1 ATOM 2867 O O . ASP B 1 177 ? 0.223 -12.722 -9.547 1.00 96.54 ? 1056 ASP B O 1 ATOM 2868 C CB . ASP B 1 177 ? 0.716 -14.257 -11.904 1.00 98.99 ? 1056 ASP B CB 1 ATOM 2869 C CG . ASP B 1 177 ? 0.038 -13.130 -12.658 1.00 111.87 ? 1056 ASP B CG 1 ATOM 2870 O OD1 . ASP B 1 177 ? 0.547 -11.984 -12.607 1.00 111.99 ? 1056 ASP B OD1 1 ATOM 2871 O OD2 . ASP B 1 177 ? -0.998 -13.393 -13.310 1.00 118.58 ? 1056 ASP B OD2 1 ATOM 2872 N N . THR B 1 178 ? 2.274 -13.051 -8.705 1.00 87.72 ? 1057 THR B N 1 ATOM 2873 C CA . THR B 1 178 ? 1.964 -12.489 -7.407 1.00 85.12 ? 1057 THR B CA 1 ATOM 2874 C C . THR B 1 178 ? 2.861 -11.312 -7.137 1.00 84.78 ? 1057 THR B C 1 ATOM 2875 O O . THR B 1 178 ? 4.080 -11.464 -7.226 1.00 82.45 ? 1057 THR B O 1 ATOM 2876 C CB . THR B 1 178 ? 2.087 -13.590 -6.318 1.00 88.23 ? 1057 THR B CB 1 ATOM 2877 O OG1 . THR B 1 178 ? 1.317 -14.734 -6.715 1.00 100.25 ? 1057 THR B OG1 1 ATOM 2878 C CG2 . THR B 1 178 ? 1.612 -13.128 -4.972 1.00 77.44 ? 1057 THR B CG2 1 ATOM 2879 N N . PRO B 1 179 ? 2.291 -10.141 -6.768 1.00 82.06 ? 1058 PRO B N 1 ATOM 2880 C CA . PRO B 1 179 ? 3.147 -9.014 -6.348 1.00 79.38 ? 1058 PRO B CA 1 ATOM 2881 C C . PRO B 1 179 ? 3.690 -9.307 -4.947 1.00 80.71 ? 1058 PRO B C 1 ATOM 2882 O O . PRO B 1 179 ? 2.918 -9.637 -4.039 1.00 80.00 ? 1058 PRO B O 1 ATOM 2883 C CB . PRO B 1 179 ? 2.193 -7.806 -6.332 1.00 83.03 ? 1058 PRO B CB 1 ATOM 2884 C CG . PRO B 1 179 ? 0.861 -8.325 -6.835 1.00 90.53 ? 1058 PRO B CG 1 ATOM 2885 C CD . PRO B 1 179 ? 0.866 -9.804 -6.603 1.00 86.04 ? 1058 PRO B CD 1 ATOM 2886 N N . TYR B 1 180 ? 5.021 -9.275 -4.798 1.00 76.41 ? 1059 TYR B N 1 ATOM 2887 C CA . TYR B 1 180 ? 5.703 -9.480 -3.522 1.00 74.51 ? 1059 TYR B CA 1 ATOM 2888 C C . TYR B 1 180 ? 6.367 -8.190 -3.061 1.00 77.29 ? 1059 TYR B C 1 ATOM 2889 O O . TYR B 1 180 ? 6.608 -7.290 -3.869 1.00 79.02 ? 1059 TYR B O 1 ATOM 2890 C CB . TYR B 1 180 ? 6.726 -10.606 -3.604 1.00 74.83 ? 1059 TYR B CB 1 ATOM 2891 C CG . TYR B 1 180 ? 6.127 -11.987 -3.479 1.00 78.95 ? 1059 TYR B CG 1 ATOM 2892 C CD1 . TYR B 1 180 ? 5.863 -12.545 -2.231 1.00 80.09 ? 1059 TYR B CD1 1 ATOM 2893 C CD2 . TYR B 1 180 ? 5.875 -12.760 -4.605 1.00 82.12 ? 1059 TYR B CD2 1 ATOM 2894 C CE1 . TYR B 1 180 ? 5.341 -13.829 -2.110 1.00 81.22 ? 1059 TYR B CE1 1 ATOM 2895 C CE2 . TYR B 1 180 ? 5.370 -14.055 -4.494 1.00 85.43 ? 1059 TYR B CE2 1 ATOM 2896 C CZ . TYR B 1 180 ? 5.095 -14.581 -3.245 1.00 91.12 ? 1059 TYR B CZ 1 ATOM 2897 O OH . TYR B 1 180 ? 4.602 -15.854 -3.133 1.00 97.90 ? 1059 TYR B OH 1 ATOM 2898 N N . TYR B 1 181 ? 6.642 -8.096 -1.754 1.00 69.76 ? 1060 TYR B N 1 ATOM 2899 C CA . TYR B 1 181 ? 7.253 -6.941 -1.127 1.00 65.81 ? 1060 TYR B CA 1 ATOM 2900 C C . TYR B 1 181 ? 8.423 -7.441 -0.330 1.00 65.16 ? 1060 TYR B C 1 ATOM 2901 O O . TYR B 1 181 ? 8.290 -8.436 0.389 1.00 63.05 ? 1060 TYR B O 1 ATOM 2902 C CB . TYR B 1 181 ? 6.229 -6.236 -0.229 1.00 68.91 ? 1060 TYR B CB 1 ATOM 2903 C CG . TYR B 1 181 ? 5.053 -5.679 -1.003 1.00 75.18 ? 1060 TYR B CG 1 ATOM 2904 C CD1 . TYR B 1 181 ? 5.102 -4.403 -1.563 1.00 78.19 ? 1060 TYR B CD1 1 ATOM 2905 C CD2 . TYR B 1 181 ? 3.917 -6.456 -1.240 1.00 78.94 ? 1060 TYR B CD2 1 ATOM 2906 C CE1 . TYR B 1 181 ? 4.039 -3.900 -2.310 1.00 84.78 ? 1060 TYR B CE1 1 ATOM 2907 C CE2 . TYR B 1 181 ? 2.855 -5.971 -2.002 1.00 83.45 ? 1060 TYR B CE2 1 ATOM 2908 C CZ . TYR B 1 181 ? 2.917 -4.689 -2.529 1.00 96.16 ? 1060 TYR B CZ 1 ATOM 2909 O OH . TYR B 1 181 ? 1.864 -4.193 -3.259 1.00 103.68 ? 1060 TYR B OH 1 ATOM 2910 N N . PHE B 1 182 ? 9.591 -6.769 -0.469 1.00 60.19 ? 1061 PHE B N 1 ATOM 2911 C CA . PHE B 1 182 ? 10.827 -7.154 0.223 1.00 55.77 ? 1061 PHE B CA 1 ATOM 2912 C C . PHE B 1 182 ? 11.448 -6.021 0.949 1.00 60.55 ? 1061 PHE B C 1 ATOM 2913 O O . PHE B 1 182 ? 11.499 -4.908 0.446 1.00 63.74 ? 1061 PHE B O 1 ATOM 2914 C CB . PHE B 1 182 ? 11.844 -7.684 -0.771 1.00 56.26 ? 1061 PHE B CB 1 ATOM 2915 C CG . PHE B 1 182 ? 11.364 -8.839 -1.601 1.00 57.40 ? 1061 PHE B CG 1 ATOM 2916 C CD1 . PHE B 1 182 ? 10.630 -8.623 -2.762 1.00 61.36 ? 1061 PHE B CD1 1 ATOM 2917 C CD2 . PHE B 1 182 ? 11.682 -10.139 -1.252 1.00 57.40 ? 1061 PHE B CD2 1 ATOM 2918 C CE1 . PHE B 1 182 ? 10.177 -9.695 -3.527 1.00 63.31 ? 1061 PHE B CE1 1 ATOM 2919 C CE2 . PHE B 1 182 ? 11.220 -11.210 -2.012 1.00 61.82 ? 1061 PHE B CE2 1 ATOM 2920 C CZ . PHE B 1 182 ? 10.475 -10.981 -3.149 1.00 60.92 ? 1061 PHE B CZ 1 ATOM 2921 N N . LYS B 1 183 ? 11.979 -6.302 2.108 1.00 57.84 ? 1062 LYS B N 1 ATOM 2922 C CA . LYS B 1 183 ? 12.737 -5.329 2.906 1.00 56.80 ? 1062 LYS B CA 1 ATOM 2923 C C . LYS B 1 183 ? 13.863 -6.011 3.652 1.00 60.37 ? 1062 LYS B C 1 ATOM 2924 O O . LYS B 1 183 ? 13.785 -7.223 3.904 1.00 61.51 ? 1062 LYS B O 1 ATOM 2925 C CB . LYS B 1 183 ? 11.864 -4.398 3.779 1.00 58.83 ? 1062 LYS B CB 1 ATOM 2926 C CG . LYS B 1 183 ? 10.900 -5.078 4.694 1.00 58.42 ? 1062 LYS B CG 1 ATOM 2927 C CD . LYS B 1 183 ? 9.926 -4.057 5.170 1.00 53.77 ? 1062 LYS B CD 1 ATOM 2928 C CE . LYS B 1 183 ? 9.018 -4.578 6.245 1.00 52.35 ? 1062 LYS B CE 1 ATOM 2929 N NZ . LYS B 1 183 ? 8.121 -3.508 6.733 1.00 72.49 ? 1062 LYS B NZ 1 ATOM 2930 N N . ILE B 1 184 ? 14.952 -5.269 3.898 1.00 54.15 ? 1063 ILE B N 1 ATOM 2931 C CA . ILE B 1 184 ? 16.136 -5.801 4.554 1.00 51.88 ? 1063 ILE B CA 1 ATOM 2932 C C . ILE B 1 184 ? 16.619 -4.889 5.658 1.00 57.86 ? 1063 ILE B C 1 ATOM 2933 O O . ILE B 1 184 ? 16.418 -3.673 5.596 1.00 59.13 ? 1063 ILE B O 1 ATOM 2934 C CB . ILE B 1 184 ? 17.220 -6.138 3.496 1.00 53.49 ? 1063 ILE B CB 1 ATOM 2935 C CG1 . ILE B 1 184 ? 18.448 -6.829 4.051 1.00 52.93 ? 1063 ILE B CG1 1 ATOM 2936 C CG2 . ILE B 1 184 ? 17.460 -5.079 2.486 1.00 56.86 ? 1063 ILE B CG2 1 ATOM 2937 C CD1 . ILE B 1 184 ? 19.267 -7.304 3.089 1.00 69.29 ? 1063 ILE B CD1 1 ATOM 2938 N N . GLN B 1 185 ? 17.236 -5.484 6.684 1.00 54.79 ? 1064 GLN B N 1 ATOM 2939 C CA . GLN B 1 185 ? 17.908 -4.779 7.765 1.00 54.09 ? 1064 GLN B CA 1 ATOM 2940 C C . GLN B 1 185 ? 19.276 -5.388 7.978 1.00 57.83 ? 1064 GLN B C 1 ATOM 2941 O O . GLN B 1 185 ? 19.467 -6.572 7.733 1.00 57.29 ? 1064 GLN B O 1 ATOM 2942 C CB . GLN B 1 185 ? 17.106 -4.693 9.069 1.00 56.07 ? 1064 GLN B CB 1 ATOM 2943 C CG . GLN B 1 185 ? 16.757 -6.025 9.687 1.00 65.59 ? 1064 GLN B CG 1 ATOM 2944 C CD . GLN B 1 185 ? 15.941 -5.904 10.943 1.00 70.96 ? 1064 GLN B CD 1 ATOM 2945 O OE1 . GLN B 1 185 ? 15.388 -6.900 11.420 1.00 62.11 ? 1064 GLN B OE1 1 ATOM 2946 N NE2 . GLN B 1 185 ? 15.910 -4.717 11.550 1.00 57.50 ? 1064 GLN B NE2 1 ATOM 2947 N N . ALA B 1 186 ? 20.246 -4.548 8.376 1.00 55.05 ? 1065 ALA B N 1 ATOM 2948 C CA . ALA B 1 186 ? 21.621 -4.947 8.615 1.00 53.60 ? 1065 ALA B CA 1 ATOM 2949 C C . ALA B 1 186 ? 21.755 -5.319 10.038 1.00 54.25 ? 1065 ALA B C 1 ATOM 2950 O O . ALA B 1 186 ? 20.998 -4.836 10.866 1.00 53.38 ? 1065 ALA B O 1 ATOM 2951 C CB . ALA B 1 186 ? 22.569 -3.791 8.288 1.00 54.61 ? 1065 ALA B CB 1 ATOM 2952 N N . ARG B 1 187 ? 22.729 -6.163 10.338 1.00 52.17 ? 1066 ARG B N 1 ATOM 2953 C CA . ARG B 1 187 ? 23.057 -6.549 11.690 1.00 54.34 ? 1066 ARG B CA 1 ATOM 2954 C C . ARG B 1 187 ? 24.550 -6.315 11.960 1.00 63.02 ? 1066 ARG B C 1 ATOM 2955 O O . ARG B 1 187 ? 25.397 -6.575 11.090 1.00 66.78 ? 1066 ARG B O 1 ATOM 2956 C CB . ARG B 1 187 ? 22.761 -8.031 11.872 1.00 57.35 ? 1066 ARG B CB 1 ATOM 2957 C CG . ARG B 1 187 ? 22.775 -8.496 13.329 1.00 78.34 ? 1066 ARG B CG 1 ATOM 2958 C CD . ARG B 1 187 ? 23.114 -9.966 13.474 1.00 81.77 ? 1066 ARG B CD 1 ATOM 2959 N NE . ARG B 1 187 ? 22.351 -10.802 12.549 1.00 98.82 ? 1066 ARG B NE 1 ATOM 2960 C CZ . ARG B 1 187 ? 21.237 -11.443 12.892 1.00 110.17 ? 1066 ARG B CZ 1 ATOM 2961 N NH1 . ARG B 1 187 ? 20.751 -11.327 14.133 1.00 78.19 ? 1066 ARG B NH1 1 ATOM 2962 N NH2 . ARG B 1 187 ? 20.596 -12.202 12.000 1.00 92.95 ? 1066 ARG B NH2 1 ATOM 2963 N N . ASN B 1 188 ? 24.878 -5.875 13.171 1.00 57.79 ? 1067 ASN B N 1 ATOM 2964 C CA . ASN B 1 188 ? 26.254 -5.803 13.616 1.00 58.39 ? 1067 ASN B CA 1 ATOM 2965 C C . ASN B 1 188 ? 26.343 -6.386 15.029 1.00 65.06 ? 1067 ASN B C 1 ATOM 2966 O O . ASN B 1 188 ? 25.328 -6.836 15.566 1.00 65.49 ? 1067 ASN B O 1 ATOM 2967 C CB . ASN B 1 188 ? 26.921 -4.421 13.424 1.00 58.41 ? 1067 ASN B CB 1 ATOM 2968 C CG . ASN B 1 188 ? 26.534 -3.305 14.364 1.00 63.77 ? 1067 ASN B CG 1 ATOM 2969 O OD1 . ASN B 1 188 ? 26.011 -3.489 15.466 1.00 67.50 ? 1067 ASN B OD1 1 ATOM 2970 N ND2 . ASN B 1 188 ? 26.834 -2.102 13.940 1.00 44.08 ? 1067 ASN B ND2 1 ATOM 2971 N N . SER B 1 189 ? 27.542 -6.410 15.622 1.00 64.16 ? 1068 SER B N 1 ATOM 2972 C CA . SER B 1 189 ? 27.773 -6.925 16.971 1.00 65.84 ? 1068 SER B CA 1 ATOM 2973 C C . SER B 1 189 ? 26.843 -6.308 18.040 1.00 67.26 ? 1068 SER B C 1 ATOM 2974 O O . SER B 1 189 ? 26.715 -6.867 19.130 1.00 72.37 ? 1068 SER B O 1 ATOM 2975 C CB . SER B 1 189 ? 29.226 -6.691 17.371 1.00 71.71 ? 1068 SER B CB 1 ATOM 2976 O OG . SER B 1 189 ? 29.458 -5.348 17.781 1.00 79.18 ? 1068 SER B OG 1 ATOM 2977 N N . LYS B 1 190 ? 26.223 -5.165 17.746 1.00 57.96 ? 1069 LYS B N 1 ATOM 2978 C CA . LYS B 1 190 ? 25.367 -4.456 18.706 1.00 57.33 ? 1069 LYS B CA 1 ATOM 2979 C C . LYS B 1 190 ? 23.849 -4.627 18.474 1.00 62.83 ? 1069 LYS B C 1 ATOM 2980 O O . LYS B 1 190 ? 23.045 -4.265 19.349 1.00 64.06 ? 1069 LYS B O 1 ATOM 2981 C CB . LYS B 1 190 ? 25.743 -2.959 18.787 1.00 56.34 ? 1069 LYS B CB 1 ATOM 2982 C CG . LYS B 1 190 ? 27.202 -2.698 19.116 1.00 65.53 ? 1069 LYS B CG 1 ATOM 2983 C CD . LYS B 1 190 ? 27.496 -2.686 20.617 1.00 65.93 ? 1069 LYS B CD 1 ATOM 2984 C CE . LYS B 1 190 ? 28.975 -2.578 20.895 1.00 76.47 ? 1069 LYS B CE 1 ATOM 2985 N NZ . LYS B 1 190 ? 29.274 -1.763 22.117 1.00 87.96 ? 1069 LYS B NZ 1 ATOM 2986 N N . GLY B 1 191 ? 23.461 -5.139 17.309 1.00 58.48 ? 1070 GLY B N 1 ATOM 2987 C CA . GLY B 1 191 ? 22.056 -5.387 17.026 1.00 58.57 ? 1070 GLY B CA 1 ATOM 2988 C C . GLY B 1 191 ? 21.607 -5.079 15.620 1.00 63.60 ? 1070 GLY B C 1 ATOM 2989 O O . GLY B 1 191 ? 22.424 -4.956 14.701 1.00 61.57 ? 1070 GLY B O 1 ATOM 2990 N N . MET B 1 192 ? 20.278 -4.987 15.459 1.00 63.16 ? 1071 MET B N 1 ATOM 2991 C CA . MET B 1 192 ? 19.601 -4.741 14.183 1.00 62.10 ? 1071 MET B CA 1 ATOM 2992 C C . MET B 1 192 ? 19.523 -3.257 13.903 1.00 61.08 ? 1071 MET B C 1 ATOM 2993 O O . MET B 1 192 ? 19.238 -2.465 14.803 1.00 63.99 ? 1071 MET B O 1 ATOM 2994 C CB . MET B 1 192 ? 18.166 -5.303 14.187 1.00 66.78 ? 1071 MET B CB 1 ATOM 2995 C CG . MET B 1 192 ? 18.033 -6.780 14.459 1.00 75.15 ? 1071 MET B CG 1 ATOM 2996 S SD . MET B 1 192 ? 19.265 -7.765 13.592 1.00 82.90 ? 1071 MET B SD 1 ATOM 2997 C CE . MET B 1 192 ? 18.693 -7.698 11.970 1.00 78.24 ? 1071 MET B CE 1 ATOM 2998 N N . GLY B 1 193 ? 19.740 -2.898 12.659 1.00 50.95 ? 1072 GLY B N 1 ATOM 2999 C CA . GLY B 1 193 ? 19.623 -1.524 12.223 1.00 50.46 ? 1072 GLY B CA 1 ATOM 3000 C C . GLY B 1 193 ? 18.242 -1.302 11.641 1.00 58.62 ? 1072 GLY B C 1 ATOM 3001 O O . GLY B 1 193 ? 17.381 -2.206 11.683 1.00 59.55 ? 1072 GLY B O 1 ATOM 3002 N N . PRO B 1 194 ? 17.970 -0.106 11.079 1.00 55.38 ? 1073 PRO B N 1 ATOM 3003 C CA . PRO B 1 194 ? 16.646 0.110 10.467 1.00 55.96 ? 1073 PRO B CA 1 ATOM 3004 C C . PRO B 1 194 ? 16.453 -0.710 9.184 1.00 60.29 ? 1073 PRO B C 1 ATOM 3005 O O . PRO B 1 194 ? 17.419 -1.262 8.653 1.00 63.82 ? 1073 PRO B O 1 ATOM 3006 C CB . PRO B 1 194 ? 16.610 1.611 10.224 1.00 58.59 ? 1073 PRO B CB 1 ATOM 3007 C CG . PRO B 1 194 ? 17.988 2.021 10.141 1.00 62.55 ? 1073 PRO B CG 1 ATOM 3008 C CD . PRO B 1 194 ? 18.836 1.076 10.934 1.00 56.66 ? 1073 PRO B CD 1 ATOM 3009 N N . MET B 1 195 ? 15.217 -0.808 8.718 1.00 54.50 ? 1074 MET B N 1 ATOM 3010 C CA . MET B 1 195 ? 14.833 -1.543 7.512 1.00 53.07 ? 1074 MET B CA 1 ATOM 3011 C C . MET B 1 195 ? 14.783 -0.635 6.331 1.00 57.82 ? 1074 MET B C 1 ATOM 3012 O O . MET B 1 195 ? 14.451 0.579 6.448 1.00 57.70 ? 1074 MET B O 1 ATOM 3013 C CB . MET B 1 195 ? 13.428 -2.151 7.593 1.00 56.24 ? 1074 MET B CB 1 ATOM 3014 C CG . MET B 1 195 ? 13.156 -2.859 8.821 1.00 61.33 ? 1074 MET B CG 1 ATOM 3015 S SD . MET B 1 195 ? 12.938 -4.551 8.398 1.00 66.74 ? 1074 MET B SD 1 ATOM 3016 C CE . MET B 1 195 ? 11.978 -5.081 9.853 1.00 65.57 ? 1074 MET B CE 1 ATOM 3017 N N . SER B 1 196 ? 15.010 -1.263 5.152 1.00 51.38 ? 1075 SER B N 1 ATOM 3018 C CA . SER B 1 196 ? 14.921 -0.586 3.897 1.00 51.57 ? 1075 SER B CA 1 ATOM 3019 C C . SER B 1 196 ? 13.418 -0.334 3.615 1.00 56.79 ? 1075 SER B C 1 ATOM 3020 O O . SER B 1 196 ? 12.544 -0.941 4.275 1.00 56.53 ? 1075 SER B O 1 ATOM 3021 C CB . SER B 1 196 ? 15.538 -1.469 2.826 1.00 54.79 ? 1075 SER B CB 1 ATOM 3022 O OG . SER B 1 196 ? 14.697 -2.550 2.460 1.00 66.30 ? 1075 SER B OG 1 ATOM 3023 N N . GLU B 1 197 ? 13.104 0.583 2.686 1.00 54.15 ? 1076 GLU B N 1 ATOM 3024 C CA . GLU B 1 197 ? 11.706 0.717 2.305 1.00 56.29 ? 1076 GLU B CA 1 ATOM 3025 C C . GLU B 1 197 ? 11.409 -0.522 1.437 1.00 61.81 ? 1076 GLU B C 1 ATOM 3026 O O . GLU B 1 197 ? 12.305 -1.045 0.747 1.00 62.44 ? 1076 GLU B O 1 ATOM 3027 C CB . GLU B 1 197 ? 11.429 2.028 1.579 1.00 60.84 ? 1076 GLU B CB 1 ATOM 3028 C CG . GLU B 1 197 ? 11.451 3.232 2.529 1.00 80.62 ? 1076 GLU B CG 1 ATOM 3029 C CD . GLU B 1 197 ? 10.182 3.593 3.301 1.00 103.19 ? 1076 GLU B CD 1 ATOM 3030 O OE1 . GLU B 1 197 ? 9.170 2.864 3.165 1.00 86.74 ? 1076 GLU B OE1 1 ATOM 3031 O OE2 . GLU B 1 197 ? 10.197 4.617 4.028 1.00 92.41 ? 1076 GLU B OE2 1 ATOM 3032 N N . ALA B 1 198 ? 10.212 -1.072 1.585 1.00 58.40 ? 1077 ALA B N 1 ATOM 3033 C CA . ALA B 1 198 ? 9.800 -2.244 0.830 1.00 56.29 ? 1077 ALA B CA 1 ATOM 3034 C C . ALA B 1 198 ? 9.916 -2.003 -0.661 1.00 63.17 ? 1077 ALA B C 1 ATOM 3035 O O . ALA B 1 198 ? 9.533 -0.942 -1.178 1.00 64.65 ? 1077 ALA B O 1 ATOM 3036 C CB . ALA B 1 198 ? 8.379 -2.643 1.178 1.00 57.55 ? 1077 ALA B CB 1 ATOM 3037 N N . VAL B 1 199 ? 10.528 -2.976 -1.336 1.00 59.32 ? 1078 VAL B N 1 ATOM 3038 C CA . VAL B 1 199 ? 10.685 -2.993 -2.779 1.00 59.47 ? 1078 VAL B CA 1 ATOM 3039 C C . VAL B 1 199 ? 9.624 -3.965 -3.300 1.00 66.53 ? 1078 VAL B C 1 ATOM 3040 O O . VAL B 1 199 ? 9.485 -5.076 -2.772 1.00 66.67 ? 1078 VAL B O 1 ATOM 3041 C CB . VAL B 1 199 ? 12.118 -3.419 -3.138 1.00 60.67 ? 1078 VAL B CB 1 ATOM 3042 C CG1 . VAL B 1 199 ? 12.220 -3.914 -4.574 1.00 61.72 ? 1078 VAL B CG1 1 ATOM 3043 C CG2 . VAL B 1 199 ? 13.103 -2.285 -2.857 1.00 59.58 ? 1078 VAL B CG2 1 ATOM 3044 N N . GLN B 1 200 ? 8.830 -3.521 -4.282 1.00 65.81 ? 1079 GLN B N 1 ATOM 3045 C CA . GLN B 1 200 ? 7.817 -4.367 -4.883 1.00 66.59 ? 1079 GLN B CA 1 ATOM 3046 C C . GLN B 1 200 ? 8.339 -5.102 -6.107 1.00 71.87 ? 1079 GLN B C 1 ATOM 3047 O O . GLN B 1 200 ? 9.037 -4.526 -6.952 1.00 73.07 ? 1079 GLN B O 1 ATOM 3048 C CB . GLN B 1 200 ? 6.556 -3.583 -5.232 1.00 71.07 ? 1079 GLN B CB 1 ATOM 3049 C CG . GLN B 1 200 ? 5.368 -4.501 -5.572 1.00 92.62 ? 1079 GLN B CG 1 ATOM 3050 C CD . GLN B 1 200 ? 4.093 -3.812 -6.006 1.00 121.21 ? 1079 GLN B CD 1 ATOM 3051 O OE1 . GLN B 1 200 ? 3.108 -4.482 -6.346 1.00 122.71 ? 1079 GLN B OE1 1 ATOM 3052 N NE2 . GLN B 1 200 ? 4.062 -2.472 -5.987 1.00 110.33 ? 1079 GLN B NE2 1 ATOM 3053 N N . PHE B 1 201 ? 7.994 -6.393 -6.196 1.00 68.14 ? 1080 PHE B N 1 ATOM 3054 C CA . PHE B 1 201 ? 8.318 -7.241 -7.330 1.00 67.29 ? 1080 PHE B CA 1 ATOM 3055 C C . PHE B 1 201 ? 7.170 -8.205 -7.609 1.00 72.74 ? 1080 PHE B C 1 ATOM 3056 O O . PHE B 1 201 ? 6.757 -8.946 -6.705 1.00 72.94 ? 1080 PHE B O 1 ATOM 3057 C CB . PHE B 1 201 ? 9.639 -7.997 -7.118 1.00 65.86 ? 1080 PHE B CB 1 ATOM 3058 C CG . PHE B 1 201 ? 10.070 -8.752 -8.342 1.00 68.07 ? 1080 PHE B CG 1 ATOM 3059 C CD1 . PHE B 1 201 ? 10.774 -8.119 -9.354 1.00 72.42 ? 1080 PHE B CD1 1 ATOM 3060 C CD2 . PHE B 1 201 ? 9.753 -10.091 -8.496 1.00 70.78 ? 1080 PHE B CD2 1 ATOM 3061 C CE1 . PHE B 1 201 ? 11.152 -8.811 -10.496 1.00 76.24 ? 1080 PHE B CE1 1 ATOM 3062 C CE2 . PHE B 1 201 ? 10.125 -10.782 -9.645 1.00 76.27 ? 1080 PHE B CE2 1 ATOM 3063 C CZ . PHE B 1 201 ? 10.833 -10.143 -10.629 1.00 76.06 ? 1080 PHE B CZ 1 ATOM 3064 N N . ARG B 1 202 ? 6.680 -8.220 -8.854 1.00 68.98 ? 1081 ARG B N 1 ATOM 3065 C CA . ARG B 1 202 ? 5.657 -9.169 -9.237 1.00 71.11 ? 1081 ARG B CA 1 ATOM 3066 C C . ARG B 1 202 ? 6.296 -10.316 -10.008 1.00 76.49 ? 1081 ARG B C 1 ATOM 3067 O O . ARG B 1 202 ? 6.854 -10.096 -11.079 1.00 78.72 ? 1081 ARG B O 1 ATOM 3068 C CB . ARG B 1 202 ? 4.548 -8.505 -10.071 1.00 77.13 ? 1081 ARG B CB 1 ATOM 3069 C CG . ARG B 1 202 ? 3.362 -9.432 -10.295 1.00 82.99 ? 1081 ARG B CG 1 ATOM 3070 C CD . ARG B 1 202 ? 2.462 -8.982 -11.416 1.00 81.34 ? 1081 ARG B CD 1 ATOM 3071 N NE . ARG B 1 202 ? 1.170 -9.668 -11.311 1.00 83.68 ? 1081 ARG B NE 1 ATOM 3072 C CZ . ARG B 1 202 ? 0.085 -9.159 -10.729 1.00 98.87 ? 1081 ARG B CZ 1 ATOM 3073 N NH1 . ARG B 1 202 ? 0.098 -7.923 -10.243 1.00 87.47 ? 1081 ARG B NH1 1 ATOM 3074 N NH2 . ARG B 1 202 ? -1.024 -9.878 -10.641 1.00 91.60 ? 1081 ARG B NH2 1 ATOM 3075 N N . THR B 1 203 ? 6.195 -11.540 -9.466 1.00 72.94 ? 1082 THR B N 1 ATOM 3076 C CA . THR B 1 203 ? 6.725 -12.754 -10.092 1.00 74.11 ? 1082 THR B CA 1 ATOM 3077 C C . THR B 1 203 ? 6.064 -12.976 -11.459 1.00 80.02 ? 1082 THR B C 1 ATOM 3078 O O . THR B 1 203 ? 4.868 -12.716 -11.588 1.00 81.27 ? 1082 THR B O 1 ATOM 3079 C CB . THR B 1 203 ? 6.477 -13.986 -9.201 1.00 86.78 ? 1082 THR B CB 1 ATOM 3080 O OG1 . THR B 1 203 ? 5.116 -14.005 -8.792 1.00 92.50 ? 1082 THR B OG1 1 ATOM 3081 C CG2 . THR B 1 203 ? 7.366 -14.026 -7.989 1.00 84.19 ? 1082 THR B CG2 1 ATOM 3082 N N . PRO B 1 204 ? 6.810 -13.455 -12.484 1.00 76.94 ? 1083 PRO B N 1 ATOM 3083 C CA . PRO B 1 204 ? 6.183 -13.731 -13.793 1.00 80.89 ? 1083 PRO B CA 1 ATOM 3084 C C . PRO B 1 204 ? 5.045 -14.750 -13.752 1.00 106.98 ? 1083 PRO B C 1 ATOM 3085 O O . PRO B 1 204 ? 4.866 -15.437 -12.747 1.00 79.70 ? 1083 PRO B O 1 ATOM 3086 C CB . PRO B 1 204 ? 7.341 -14.268 -14.639 1.00 84.27 ? 1083 PRO B CB 1 ATOM 3087 C CG . PRO B 1 204 ? 8.384 -14.696 -13.674 1.00 85.70 ? 1083 PRO B CG 1 ATOM 3088 C CD . PRO B 1 204 ? 8.244 -13.801 -12.490 1.00 77.81 ? 1083 PRO B CD 1 ATOM 3089 N N . THR C 1 4 ? 32.570 51.510 15.129 1.00 137.88 ? 883 THR C N 1 ATOM 3090 C CA . THR C 1 4 ? 31.259 52.064 15.488 1.00 139.08 ? 883 THR C CA 1 ATOM 3091 C C . THR C 1 4 ? 30.256 50.952 15.945 1.00 139.42 ? 883 THR C C 1 ATOM 3092 O O . THR C 1 4 ? 30.570 49.759 15.794 1.00 134.81 ? 883 THR C O 1 ATOM 3093 C CB . THR C 1 4 ? 30.739 53.046 14.398 1.00 152.68 ? 883 THR C CB 1 ATOM 3094 O OG1 . THR C 1 4 ? 30.433 52.331 13.205 1.00 151.37 ? 883 THR C OG1 1 ATOM 3095 C CG2 . THR C 1 4 ? 31.712 54.194 14.103 1.00 156.24 ? 883 THR C CG2 1 ATOM 3096 N N . PRO C 1 5 ? 29.073 51.280 16.541 1.00 137.61 ? 884 PRO C N 1 ATOM 3097 C CA . PRO C 1 5 ? 28.195 50.200 17.019 1.00 134.06 ? 884 PRO C CA 1 ATOM 3098 C C . PRO C 1 5 ? 27.328 49.587 15.931 1.00 133.00 ? 884 PRO C C 1 ATOM 3099 O O . PRO C 1 5 ? 26.645 50.300 15.183 1.00 134.26 ? 884 PRO C O 1 ATOM 3100 C CB . PRO C 1 5 ? 27.368 50.865 18.123 1.00 140.36 ? 884 PRO C CB 1 ATOM 3101 C CG . PRO C 1 5 ? 27.311 52.309 17.740 1.00 149.46 ? 884 PRO C CG 1 ATOM 3102 C CD . PRO C 1 5 ? 28.508 52.613 16.864 1.00 144.26 ? 884 PRO C CD 1 ATOM 3103 N N . MET C 1 6 ? 27.361 48.250 15.849 1.00 123.42 ? 885 MET C N 1 ATOM 3104 C CA . MET C 1 6 ? 26.569 47.515 14.885 1.00 118.40 ? 885 MET C CA 1 ATOM 3105 C C . MET C 1 6 ? 25.131 47.456 15.362 1.00 122.20 ? 885 MET C C 1 ATOM 3106 O O . MET C 1 6 ? 24.870 47.481 16.575 1.00 123.91 ? 885 MET C O 1 ATOM 3107 C CB . MET C 1 6 ? 27.134 46.108 14.685 1.00 117.36 ? 885 MET C CB 1 ATOM 3108 C CG . MET C 1 6 ? 28.401 46.082 13.874 1.00 121.31 ? 885 MET C CG 1 ATOM 3109 S SD . MET C 1 6 ? 28.915 44.424 13.376 1.00 123.40 ? 885 MET C SD 1 ATOM 3110 C CE . MET C 1 6 ? 27.730 44.100 12.033 1.00 118.03 ? 885 MET C CE 1 ATOM 3111 N N . MET C 1 7 ? 24.194 47.403 14.402 1.00 116.76 ? 886 MET C N 1 ATOM 3112 C CA . MET C 1 7 ? 22.771 47.296 14.700 1.00 116.69 ? 886 MET C CA 1 ATOM 3113 C C . MET C 1 7 ? 22.444 45.872 15.166 1.00 114.73 ? 886 MET C C 1 ATOM 3114 O O . MET C 1 7 ? 22.776 44.917 14.452 1.00 109.99 ? 886 MET C O 1 ATOM 3115 C CB . MET C 1 7 ? 21.911 47.678 13.483 1.00 120.02 ? 886 MET C CB 1 ATOM 3116 C CG . MET C 1 7 ? 21.547 49.156 13.430 1.00 128.84 ? 886 MET C CG 1 ATOM 3117 S SD . MET C 1 7 ? 20.862 49.946 14.942 1.00 138.51 ? 886 MET C SD 1 ATOM 3118 C CE . MET C 1 7 ? 19.239 49.031 15.130 1.00 134.66 ? 886 MET C CE 1 ATOM 3119 N N . PRO C 1 8 ? 21.797 45.697 16.351 1.00 112.62 ? 887 PRO C N 1 ATOM 3120 C CA . PRO C 1 8 ? 21.468 44.330 16.798 1.00 109.42 ? 887 PRO C CA 1 ATOM 3121 C C . PRO C 1 8 ? 20.407 43.658 15.921 1.00 110.17 ? 887 PRO C C 1 ATOM 3122 O O . PRO C 1 8 ? 19.548 44.369 15.361 1.00 112.63 ? 887 PRO C O 1 ATOM 3123 C CB . PRO C 1 8 ? 20.971 44.528 18.236 1.00 113.69 ? 887 PRO C CB 1 ATOM 3124 C CG . PRO C 1 8 ? 20.460 45.913 18.271 1.00 122.45 ? 887 PRO C CG 1 ATOM 3125 C CD . PRO C 1 8 ? 21.322 46.707 17.324 1.00 118.36 ? 887 PRO C CD 1 ATOM 3126 N N . PRO C 1 9 ? 20.439 42.304 15.793 1.00 100.78 ? 888 PRO C N 1 ATOM 3127 C CA . PRO C 1 9 ? 19.410 41.620 14.989 1.00 99.38 ? 888 PRO C CA 1 ATOM 3128 C C . PRO C 1 9 ? 17.966 41.900 15.440 1.00 104.13 ? 888 PRO C C 1 ATOM 3129 O O . PRO C 1 9 ? 17.739 42.311 16.571 1.00 105.77 ? 888 PRO C O 1 ATOM 3130 C CB . PRO C 1 9 ? 19.786 40.143 15.136 1.00 98.17 ? 888 PRO C CB 1 ATOM 3131 C CG . PRO C 1 9 ? 21.243 40.159 15.451 1.00 100.99 ? 888 PRO C CG 1 ATOM 3132 C CD . PRO C 1 9 ? 21.402 41.333 16.352 1.00 99.10 ? 888 PRO C CD 1 ATOM 3133 N N . VAL C 1 10 ? 16.999 41.724 14.532 1.00 101.17 ? 889 VAL C N 1 ATOM 3134 C CA . VAL C 1 10 ? 15.560 41.954 14.779 1.00 103.87 ? 889 VAL C CA 1 ATOM 3135 C C . VAL C 1 10 ? 14.741 40.732 14.351 1.00 103.97 ? 889 VAL C C 1 ATOM 3136 O O . VAL C 1 10 ? 15.299 39.796 13.776 1.00 100.26 ? 889 VAL C O 1 ATOM 3137 C CB . VAL C 1 10 ? 15.031 43.246 14.076 1.00 112.90 ? 889 VAL C CB 1 ATOM 3138 C CG1 . VAL C 1 10 ? 15.587 44.510 14.727 1.00 115.46 ? 889 VAL C CG1 1 ATOM 3139 C CG2 . VAL C 1 10 ? 15.304 43.232 12.564 1.00 112.32 ? 889 VAL C CG2 1 ATOM 3140 N N . GLY C 1 11 ? 13.429 40.780 14.590 1.00 102.82 ? 890 GLY C N 1 ATOM 3141 C CA . GLY C 1 11 ? 12.486 39.737 14.192 1.00 102.81 ? 890 GLY C CA 1 ATOM 3142 C C . GLY C 1 11 ? 12.869 38.332 14.616 1.00 101.88 ? 890 GLY C C 1 ATOM 3143 O O . GLY C 1 11 ? 12.712 37.370 13.844 1.00 100.02 ? 890 GLY C O 1 ATOM 3144 N N . VAL C 1 12 ? 13.397 38.226 15.855 1.00 95.75 ? 891 VAL C N 1 ATOM 3145 C CA . VAL C 1 12 ? 13.834 36.975 16.469 1.00 91.18 ? 891 VAL C CA 1 ATOM 3146 C C . VAL C 1 12 ? 12.625 36.107 16.791 1.00 95.45 ? 891 VAL C C 1 ATOM 3147 O O . VAL C 1 12 ? 11.677 36.557 17.462 1.00 97.73 ? 891 VAL C O 1 ATOM 3148 C CB . VAL C 1 12 ? 14.736 37.190 17.698 1.00 93.29 ? 891 VAL C CB 1 ATOM 3149 C CG1 . VAL C 1 12 ? 15.339 35.864 18.151 1.00 89.86 ? 891 VAL C CG1 1 ATOM 3150 C CG2 . VAL C 1 12 ? 15.829 38.218 17.409 1.00 93.34 ? 891 VAL C CG2 1 ATOM 3151 N N . GLN C 1 13 ? 12.630 34.880 16.263 1.00 89.45 ? 892 GLN C N 1 ATOM 3152 C CA . GLN C 1 13 ? 11.513 33.970 16.483 1.00 89.56 ? 892 GLN C CA 1 ATOM 3153 C C . GLN C 1 13 ? 12.016 32.619 16.884 1.00 90.64 ? 892 GLN C C 1 ATOM 3154 O O . GLN C 1 13 ? 13.118 32.219 16.492 1.00 89.24 ? 892 GLN C O 1 ATOM 3155 C CB . GLN C 1 13 ? 10.631 33.842 15.234 1.00 93.09 ? 892 GLN C CB 1 ATOM 3156 C CG . GLN C 1 13 ? 9.755 35.040 14.977 1.00 102.97 ? 892 GLN C CG 1 ATOM 3157 C CD . GLN C 1 13 ? 9.276 35.065 13.546 1.00 119.53 ? 892 GLN C CD 1 ATOM 3158 O OE1 . GLN C 1 13 ? 9.842 35.757 12.681 1.00 106.84 ? 892 GLN C OE1 1 ATOM 3159 N NE2 . GLN C 1 13 ? 8.184 34.362 13.276 1.00 120.22 ? 892 GLN C NE2 1 ATOM 3160 N N . ALA C 1 14 ? 11.202 31.921 17.686 1.00 85.60 ? 893 ALA C N 1 ATOM 3161 C CA . ALA C 1 14 ? 11.468 30.566 18.124 1.00 82.78 ? 893 ALA C CA 1 ATOM 3162 C C . ALA C 1 14 ? 10.392 29.652 17.495 1.00 88.61 ? 893 ALA C C 1 ATOM 3163 O O . ALA C 1 14 ? 9.201 29.989 17.503 1.00 90.37 ? 893 ALA C O 1 ATOM 3164 C CB . ALA C 1 14 ? 11.415 30.491 19.632 1.00 82.60 ? 893 ALA C CB 1 ATOM 3165 N N . SER C 1 15 ? 10.836 28.551 16.861 1.00 83.76 ? 894 SER C N 1 ATOM 3166 C CA . SER C 1 15 ? 9.973 27.551 16.264 1.00 83.80 ? 894 SER C CA 1 ATOM 3167 C C . SER C 1 15 ? 10.250 26.258 16.989 1.00 82.62 ? 894 SER C C 1 ATOM 3168 O O . SER C 1 15 ? 11.383 25.776 16.967 1.00 80.72 ? 894 SER C O 1 ATOM 3169 C CB . SER C 1 15 ? 10.267 27.398 14.782 1.00 91.76 ? 894 SER C CB 1 ATOM 3170 O OG . SER C 1 15 ? 9.248 26.602 14.191 1.00 112.63 ? 894 SER C OG 1 ATOM 3171 N N . ILE C 1 16 ? 9.235 25.724 17.693 1.00 78.26 ? 895 ILE C N 1 ATOM 3172 C CA . ILE C 1 16 ? 9.378 24.496 18.478 1.00 74.89 ? 895 ILE C CA 1 ATOM 3173 C C . ILE C 1 16 ? 9.291 23.279 17.581 1.00 77.12 ? 895 ILE C C 1 ATOM 3174 O O . ILE C 1 16 ? 8.304 23.099 16.838 1.00 75.03 ? 895 ILE C O 1 ATOM 3175 C CB . ILE C 1 16 ? 8.424 24.415 19.692 1.00 77.60 ? 895 ILE C CB 1 ATOM 3176 C CG1 . ILE C 1 16 ? 8.124 25.799 20.337 1.00 77.55 ? 895 ILE C CG1 1 ATOM 3177 C CG2 . ILE C 1 16 ? 8.944 23.398 20.707 1.00 77.81 ? 895 ILE C CG2 1 ATOM 3178 C CD1 . ILE C 1 16 ? 9.323 26.618 20.846 1.00 81.07 ? 895 ILE C CD1 1 ATOM 3179 N N . LEU C 1 17 ? 10.341 22.447 17.662 1.00 73.07 ? 896 LEU C N 1 ATOM 3180 C CA . LEU C 1 17 ? 10.462 21.262 16.823 1.00 74.29 ? 896 LEU C CA 1 ATOM 3181 C C . LEU C 1 17 ? 10.296 19.957 17.552 1.00 77.11 ? 896 LEU C C 1 ATOM 3182 O O . LEU C 1 17 ? 9.721 19.026 16.992 1.00 79.43 ? 896 LEU C O 1 ATOM 3183 C CB . LEU C 1 17 ? 11.766 21.292 16.019 1.00 74.26 ? 896 LEU C CB 1 ATOM 3184 C CG . LEU C 1 17 ? 11.936 22.479 15.082 1.00 78.71 ? 896 LEU C CG 1 ATOM 3185 C CD1 . LEU C 1 17 ? 13.274 22.464 14.471 1.00 79.27 ? 896 LEU C CD1 1 ATOM 3186 C CD2 . LEU C 1 17 ? 10.879 22.509 13.994 1.00 85.43 ? 896 LEU C CD2 1 ATOM 3187 N N . SER C 1 18 ? 10.810 19.875 18.772 1.00 71.31 ? 897 SER C N 1 ATOM 3188 C CA . SER C 1 18 ? 10.710 18.676 19.595 1.00 71.16 ? 897 SER C CA 1 ATOM 3189 C C . SER C 1 18 ? 10.755 19.069 21.078 1.00 75.18 ? 897 SER C C 1 ATOM 3190 O O . SER C 1 18 ? 10.639 20.251 21.431 1.00 72.48 ? 897 SER C O 1 ATOM 3191 C CB . SER C 1 18 ? 11.828 17.687 19.242 1.00 73.44 ? 897 SER C CB 1 ATOM 3192 O OG . SER C 1 18 ? 13.099 18.120 19.696 1.00 79.94 ? 897 SER C OG 1 ATOM 3193 N N . HIS C 1 19 ? 10.926 18.062 21.937 1.00 74.84 ? 898 HIS C N 1 ATOM 3194 C CA . HIS C 1 19 ? 11.096 18.228 23.371 1.00 74.58 ? 898 HIS C CA 1 ATOM 3195 C C . HIS C 1 19 ? 12.542 18.762 23.667 1.00 78.95 ? 898 HIS C C 1 ATOM 3196 O O . HIS C 1 19 ? 12.822 19.157 24.787 1.00 77.46 ? 898 HIS C O 1 ATOM 3197 C CB . HIS C 1 19 ? 10.878 16.877 24.038 1.00 76.11 ? 898 HIS C CB 1 ATOM 3198 C CG . HIS C 1 19 ? 11.830 15.842 23.531 1.00 81.62 ? 898 HIS C CG 1 ATOM 3199 N ND1 . HIS C 1 19 ? 11.519 15.059 22.436 1.00 85.88 ? 898 HIS C ND1 1 ATOM 3200 C CD2 . HIS C 1 19 ? 13.093 15.544 23.936 1.00 83.60 ? 898 HIS C CD2 1 ATOM 3201 C CE1 . HIS C 1 19 ? 12.586 14.288 22.231 1.00 86.60 ? 898 HIS C CE1 1 ATOM 3202 N NE2 . HIS C 1 19 ? 13.560 14.553 23.103 1.00 85.64 ? 898 HIS C NE2 1 ATOM 3203 N N . ASP C 1 20 ? 13.447 18.757 22.676 1.00 77.48 ? 899 ASP C N 1 ATOM 3204 C CA . ASP C 1 20 ? 14.821 19.182 22.878 1.00 78.33 ? 899 ASP C CA 1 ATOM 3205 C C . ASP C 1 20 ? 15.337 20.125 21.804 1.00 84.10 ? 899 ASP C C 1 ATOM 3206 O O . ASP C 1 20 ? 16.489 20.571 21.880 1.00 83.65 ? 899 ASP C O 1 ATOM 3207 C CB . ASP C 1 20 ? 15.728 17.944 23.034 1.00 82.44 ? 899 ASP C CB 1 ATOM 3208 C CG . ASP C 1 20 ? 16.052 17.176 21.768 1.00 97.91 ? 899 ASP C CG 1 ATOM 3209 O OD1 . ASP C 1 20 ? 15.106 16.806 21.037 1.00 96.38 ? 899 ASP C OD1 1 ATOM 3210 O OD2 . ASP C 1 20 ? 17.250 16.881 21.546 1.00 116.45 ? 899 ASP C OD2 1 ATOM 3211 N N . THR C 1 21 ? 14.488 20.445 20.816 1.00 81.88 ? 900 THR C N 1 ATOM 3212 C CA . THR C 1 21 ? 14.896 21.295 19.696 1.00 82.22 ? 900 THR C CA 1 ATOM 3213 C C . THR C 1 21 ? 13.973 22.476 19.423 1.00 84.74 ? 900 THR C C 1 ATOM 3214 O O . THR C 1 21 ? 12.752 22.310 19.312 1.00 87.59 ? 900 THR C O 1 ATOM 3215 C CB . THR C 1 21 ? 15.194 20.439 18.437 1.00 92.28 ? 900 THR C CB 1 ATOM 3216 O OG1 . THR C 1 21 ? 16.209 19.476 18.748 1.00 92.09 ? 900 THR C OG1 1 ATOM 3217 C CG2 . THR C 1 21 ? 15.668 21.282 17.246 1.00 92.83 ? 900 THR C CG2 1 ATOM 3218 N N . ILE C 1 22 ? 14.586 23.671 19.291 1.00 76.53 ? 901 ILE C N 1 ATOM 3219 C CA . ILE C 1 22 ? 13.937 24.933 18.946 1.00 75.10 ? 901 ILE C CA 1 ATOM 3220 C C . ILE C 1 22 ? 14.778 25.603 17.853 1.00 77.09 ? 901 ILE C C 1 ATOM 3221 O O . ILE C 1 22 ? 15.988 25.742 18.003 1.00 76.22 ? 901 ILE C O 1 ATOM 3222 C CB . ILE C 1 22 ? 13.699 25.880 20.187 1.00 76.99 ? 901 ILE C CB 1 ATOM 3223 C CG1 . ILE C 1 22 ? 12.803 25.203 21.267 1.00 75.08 ? 901 ILE C CG1 1 ATOM 3224 C CG2 . ILE C 1 22 ? 13.091 27.235 19.737 1.00 78.84 ? 901 ILE C CG2 1 ATOM 3225 C CD1 . ILE C 1 22 ? 12.615 25.957 22.558 1.00 79.10 ? 901 ILE C CD1 1 ATOM 3226 N N . ARG C 1 23 ? 14.145 26.012 16.759 1.00 74.78 ? 902 ARG C N 1 ATOM 3227 C CA . ARG C 1 23 ? 14.842 26.724 15.678 1.00 74.59 ? 902 ARG C CA 1 ATOM 3228 C C . ARG C 1 23 ? 14.697 28.212 15.885 1.00 76.68 ? 902 ARG C C 1 ATOM 3229 O O . ARG C 1 23 ? 13.580 28.734 16.009 1.00 76.70 ? 902 ARG C O 1 ATOM 3230 C CB . ARG C 1 23 ? 14.289 26.335 14.306 1.00 72.10 ? 902 ARG C CB 1 ATOM 3231 C CG . ARG C 1 23 ? 15.354 26.305 13.238 1.00 69.28 ? 902 ARG C CG 1 ATOM 3232 C CD . ARG C 1 23 ? 14.649 26.572 11.926 1.00 95.36 ? 902 ARG C CD 1 ATOM 3233 N NE . ARG C 1 23 ? 15.523 27.094 10.877 1.00 109.44 ? 902 ARG C NE 1 ATOM 3234 C CZ . ARG C 1 23 ? 15.105 27.849 9.868 1.00 123.45 ? 902 ARG C CZ 1 ATOM 3235 N NH1 . ARG C 1 23 ? 13.826 28.197 9.775 1.00 109.77 ? 902 ARG C NH1 1 ATOM 3236 N NH2 . ARG C 1 23 ? 15.963 28.270 8.949 1.00 110.96 ? 902 ARG C NH2 1 ATOM 3237 N N . ILE C 1 24 ? 15.832 28.890 15.901 1.00 73.58 ? 903 ILE C N 1 ATOM 3238 C CA . ILE C 1 24 ? 15.859 30.343 16.084 1.00 74.59 ? 903 ILE C CA 1 ATOM 3239 C C . ILE C 1 24 ? 16.129 31.023 14.772 1.00 82.16 ? 903 ILE C C 1 ATOM 3240 O O . ILE C 1 24 ? 17.014 30.603 14.035 1.00 82.37 ? 903 ILE C O 1 ATOM 3241 C CB . ILE C 1 24 ? 16.829 30.816 17.203 1.00 75.59 ? 903 ILE C CB 1 ATOM 3242 C CG1 . ILE C 1 24 ? 16.548 30.093 18.543 1.00 73.08 ? 903 ILE C CG1 1 ATOM 3243 C CG2 . ILE C 1 24 ? 16.819 32.358 17.361 1.00 78.31 ? 903 ILE C CG2 1 ATOM 3244 C CD1 . ILE C 1 24 ? 15.114 30.172 19.016 1.00 73.62 ? 903 ILE C CD1 1 ATOM 3245 N N . THR C 1 25 ? 15.323 32.030 14.453 1.00 81.07 ? 904 THR C N 1 ATOM 3246 C CA . THR C 1 25 ? 15.491 32.791 13.232 1.00 83.48 ? 904 THR C CA 1 ATOM 3247 C C . THR C 1 25 ? 15.479 34.257 13.599 1.00 92.03 ? 904 THR C C 1 ATOM 3248 O O . THR C 1 25 ? 14.850 34.645 14.594 1.00 93.06 ? 904 THR C O 1 ATOM 3249 C CB . THR C 1 25 ? 14.397 32.490 12.214 1.00 86.85 ? 904 THR C CB 1 ATOM 3250 O OG1 . THR C 1 25 ? 13.134 32.869 12.768 1.00 92.99 ? 904 THR C OG1 1 ATOM 3251 C CG2 . THR C 1 25 ? 14.415 31.043 11.737 1.00 79.87 ? 904 THR C CG2 1 ATOM 3252 N N . TRP C 1 26 ? 16.178 35.067 12.786 1.00 88.81 ? 905 TRP C N 1 ATOM 3253 C CA . TRP C 1 26 ? 16.236 36.502 12.946 1.00 88.98 ? 905 TRP C CA 1 ATOM 3254 C C . TRP C 1 26 ? 16.515 37.137 11.610 1.00 94.67 ? 905 TRP C C 1 ATOM 3255 O O . TRP C 1 26 ? 16.715 36.443 10.608 1.00 94.95 ? 905 TRP C O 1 ATOM 3256 C CB . TRP C 1 26 ? 17.302 36.884 13.966 1.00 85.89 ? 905 TRP C CB 1 ATOM 3257 C CG . TRP C 1 26 ? 18.668 36.408 13.582 1.00 85.59 ? 905 TRP C CG 1 ATOM 3258 C CD1 . TRP C 1 26 ? 19.598 37.082 12.843 1.00 88.65 ? 905 TRP C CD1 1 ATOM 3259 C CD2 . TRP C 1 26 ? 19.235 35.124 13.869 1.00 83.51 ? 905 TRP C CD2 1 ATOM 3260 N NE1 . TRP C 1 26 ? 20.718 36.301 12.666 1.00 87.01 ? 905 TRP C NE1 1 ATOM 3261 C CE2 . TRP C 1 26 ? 20.529 35.100 13.301 1.00 87.22 ? 905 TRP C CE2 1 ATOM 3262 C CE3 . TRP C 1 26 ? 18.794 34.005 14.606 1.00 83.87 ? 905 TRP C CE3 1 ATOM 3263 C CZ2 . TRP C 1 26 ? 21.385 33.997 13.436 1.00 85.93 ? 905 TRP C CZ2 1 ATOM 3264 C CZ3 . TRP C 1 26 ? 19.637 32.909 14.729 1.00 84.33 ? 905 TRP C CZ3 1 ATOM 3265 C CH2 . TRP C 1 26 ? 20.915 32.910 14.145 1.00 85.38 ? 905 TRP C CH2 1 ATOM 3266 N N . ALA C 1 27 ? 16.524 38.467 11.612 1.00 93.71 ? 906 ALA C N 1 ATOM 3267 C CA . ALA C 1 27 ? 16.827 39.329 10.482 1.00 96.31 ? 906 ALA C CA 1 ATOM 3268 C C . ALA C 1 27 ? 17.969 40.239 10.935 1.00 101.96 ? 906 ALA C C 1 ATOM 3269 O O . ALA C 1 27 ? 18.099 40.526 12.131 1.00 100.20 ? 906 ALA C O 1 ATOM 3270 C CB . ALA C 1 27 ? 15.602 40.160 10.108 1.00 100.63 ? 906 ALA C CB 1 ATOM 3271 N N . ASP C 1 28 ? 18.821 40.645 9.992 1.00 101.30 ? 907 ASP C N 1 ATOM 3272 C CA . ASP C 1 28 ? 19.922 41.554 10.252 1.00 101.86 ? 907 ASP C CA 1 ATOM 3273 C C . ASP C 1 28 ? 19.674 42.768 9.369 1.00 113.17 ? 907 ASP C C 1 ATOM 3274 O O . ASP C 1 28 ? 19.656 42.644 8.141 1.00 113.81 ? 907 ASP C O 1 ATOM 3275 C CB . ASP C 1 28 ? 21.272 40.884 9.944 1.00 101.35 ? 907 ASP C CB 1 ATOM 3276 C CG . ASP C 1 28 ? 22.526 41.696 10.258 1.00 107.40 ? 907 ASP C CG 1 ATOM 3277 O OD1 . ASP C 1 28 ? 22.396 42.850 10.750 1.00 109.48 ? 907 ASP C OD1 1 ATOM 3278 O OD2 . ASP C 1 28 ? 23.634 41.170 10.043 1.00 109.59 ? 907 ASP C OD2 1 ATOM 3279 N N . ASN C 1 29 ? 19.424 43.934 9.991 1.00 114.65 ? 908 ASN C N 1 ATOM 3280 C CA . ASN C 1 29 ? 19.146 45.152 9.229 1.00 118.88 ? 908 ASN C CA 1 ATOM 3281 C C . ASN C 1 29 ? 20.322 45.701 8.433 1.00 125.46 ? 908 ASN C C 1 ATOM 3282 O O . ASN C 1 29 ? 20.106 46.254 7.354 1.00 127.55 ? 908 ASN C O 1 ATOM 3283 C CB . ASN C 1 29 ? 18.420 46.199 10.060 1.00 122.11 ? 908 ASN C CB 1 ATOM 3284 C CG . ASN C 1 29 ? 16.939 45.866 10.278 1.00 133.62 ? 908 ASN C CG 1 ATOM 3285 O OD1 . ASN C 1 29 ? 16.328 45.035 9.589 1.00 113.41 ? 908 ASN C OD1 1 ATOM 3286 N ND2 . ASN C 1 29 ? 16.314 46.526 11.238 1.00 127.98 ? 908 ASN C ND2 1 ATOM 3287 N N . SER C 1 30 ? 21.568 45.461 8.917 1.00 121.52 ? 909 SER C N 1 ATOM 3288 C CA . SER C 1 30 ? 22.832 45.842 8.265 1.00 121.69 ? 909 SER C CA 1 ATOM 3289 C C . SER C 1 30 ? 23.138 45.003 6.993 1.00 126.77 ? 909 SER C C 1 ATOM 3290 O O . SER C 1 30 ? 24.252 45.052 6.467 1.00 126.67 ? 909 SER C O 1 ATOM 3291 C CB . SER C 1 30 ? 23.999 45.811 9.258 1.00 124.11 ? 909 SER C CB 1 ATOM 3292 O OG . SER C 1 30 ? 23.789 44.981 10.392 1.00 131.40 ? 909 SER C OG 1 ATOM 3293 N N . LEU C 1 31 ? 22.131 44.258 6.497 1.00 124.99 ? 910 LEU C N 1 ATOM 3294 C CA . LEU C 1 31 ? 22.161 43.438 5.281 1.00 126.20 ? 910 LEU C CA 1 ATOM 3295 C C . LEU C 1 31 ? 21.055 43.958 4.325 1.00 140.25 ? 910 LEU C C 1 ATOM 3296 O O . LEU C 1 31 ? 20.063 44.503 4.827 1.00 140.71 ? 910 LEU C O 1 ATOM 3297 C CB . LEU C 1 31 ? 21.848 41.958 5.612 1.00 123.18 ? 910 LEU C CB 1 ATOM 3298 C CG . LEU C 1 31 ? 22.857 41.093 6.355 1.00 122.87 ? 910 LEU C CG 1 ATOM 3299 C CD1 . LEU C 1 31 ? 22.295 39.705 6.548 1.00 121.56 ? 910 LEU C CD1 1 ATOM 3300 C CD2 . LEU C 1 31 ? 24.178 40.985 5.609 1.00 124.24 ? 910 LEU C CD2 1 ATOM 3301 N N . PRO C 1 32 ? 21.128 43.741 2.978 1.00 144.05 ? 911 PRO C N 1 ATOM 3302 C CA . PRO C 1 32 ? 20.024 44.196 2.100 1.00 149.84 ? 911 PRO C CA 1 ATOM 3303 C C . PRO C 1 32 ? 18.727 43.382 2.272 1.00 156.33 ? 911 PRO C C 1 ATOM 3304 O O . PRO C 1 32 ? 18.741 42.342 2.939 1.00 153.15 ? 911 PRO C O 1 ATOM 3305 C CB . PRO C 1 32 ? 20.613 44.068 0.685 1.00 154.61 ? 911 PRO C CB 1 ATOM 3306 C CG . PRO C 1 32 ? 22.102 43.835 0.882 1.00 154.73 ? 911 PRO C CG 1 ATOM 3307 C CD . PRO C 1 32 ? 22.205 43.118 2.179 1.00 145.63 ? 911 PRO C CD 1 ATOM 3308 N N . LYS C 1 33 ? 17.600 43.866 1.688 1.00 159.52 ? 912 LYS C N 1 ATOM 3309 C CA . LYS C 1 33 ? 16.263 43.239 1.770 1.00 163.13 ? 912 LYS C CA 1 ATOM 3310 C C . LYS C 1 33 ? 16.210 41.731 1.427 1.00 167.83 ? 912 LYS C C 1 ATOM 3311 O O . LYS C 1 33 ? 15.375 41.012 1.990 1.00 165.67 ? 912 LYS C O 1 ATOM 3312 C CB . LYS C 1 33 ? 15.238 44.022 0.932 1.00 173.15 ? 912 LYS C CB 1 ATOM 3313 C CG . LYS C 1 33 ? 14.069 44.588 1.735 1.00 184.41 ? 912 LYS C CG 1 ATOM 3314 C CD . LYS C 1 33 ? 13.151 45.413 0.843 1.00 196.25 ? 912 LYS C CD 1 ATOM 3315 C CE . LYS C 1 33 ? 12.269 46.346 1.631 1.00 201.51 ? 912 LYS C CE 1 ATOM 3316 N NZ . LYS C 1 33 ? 11.699 47.412 0.766 1.00 204.36 ? 912 LYS C NZ 1 ATOM 3317 N N . HIS C 1 34 ? 17.107 41.260 0.515 1.00 165.16 ? 913 HIS C N 1 ATOM 3318 C CA . HIS C 1 34 ? 17.224 39.852 0.098 1.00 164.84 ? 913 HIS C CA 1 ATOM 3319 C C . HIS C 1 34 ? 17.755 38.933 1.226 1.00 161.50 ? 913 HIS C C 1 ATOM 3320 O O . HIS C 1 34 ? 17.607 37.709 1.146 1.00 161.87 ? 913 HIS C O 1 ATOM 3321 C CB . HIS C 1 34 ? 18.045 39.698 -1.208 1.00 169.11 ? 913 HIS C CB 1 ATOM 3322 C CG . HIS C 1 34 ? 19.382 40.391 -1.226 1.00 170.09 ? 913 HIS C CG 1 ATOM 3323 N ND1 . HIS C 1 34 ? 19.688 41.338 -2.192 1.00 175.51 ? 913 HIS C ND1 1 ATOM 3324 C CD2 . HIS C 1 34 ? 20.463 40.223 -0.426 1.00 167.53 ? 913 HIS C CD2 1 ATOM 3325 C CE1 . HIS C 1 34 ? 20.934 41.714 -1.947 1.00 172.07 ? 913 HIS C CE1 1 ATOM 3326 N NE2 . HIS C 1 34 ? 21.441 41.068 -0.894 1.00 167.67 ? 913 HIS C NE2 1 ATOM 3327 N N . GLN C 1 35 ? 18.355 39.549 2.277 1.00 151.16 ? 914 GLN C N 1 ATOM 3328 C CA . GLN C 1 35 ? 18.907 38.935 3.492 1.00 144.11 ? 914 GLN C CA 1 ATOM 3329 C C . GLN C 1 35 ? 20.011 37.885 3.228 1.00 143.55 ? 914 GLN C C 1 ATOM 3330 O O . GLN C 1 35 ? 19.914 36.739 3.670 1.00 141.76 ? 914 GLN C O 1 ATOM 3331 C CB . GLN C 1 35 ? 17.784 38.454 4.439 1.00 143.65 ? 914 GLN C CB 1 ATOM 3332 C CG . GLN C 1 35 ? 16.949 39.586 5.056 1.00 152.61 ? 914 GLN C CG 1 ATOM 3333 C CD . GLN C 1 35 ? 17.682 40.361 6.126 1.00 162.03 ? 914 GLN C CD 1 ATOM 3334 O OE1 . GLN C 1 35 ? 17.851 39.902 7.260 1.00 153.88 ? 914 GLN C OE1 1 ATOM 3335 N NE2 . GLN C 1 35 ? 18.095 41.575 5.798 1.00 152.77 ? 914 GLN C NE2 1 ATOM 3336 N N . LYS C 1 36 ? 21.080 38.316 2.514 1.00 138.08 ? 915 LYS C N 1 ATOM 3337 C CA . LYS C 1 36 ? 22.228 37.486 2.121 1.00 136.32 ? 915 LYS C CA 1 ATOM 3338 C C . LYS C 1 36 ? 23.603 37.965 2.657 1.00 132.21 ? 915 LYS C C 1 ATOM 3339 O O . LYS C 1 36 ? 24.045 39.077 2.334 1.00 131.72 ? 915 LYS C O 1 ATOM 3340 C CB . LYS C 1 36 ? 22.258 37.302 0.589 1.00 143.39 ? 915 LYS C CB 1 ATOM 3341 C CG . LYS C 1 36 ? 21.273 36.258 0.084 1.00 144.78 ? 915 LYS C CG 1 ATOM 3342 C CD . LYS C 1 36 ? 20.535 36.753 -1.144 1.00 152.87 ? 915 LYS C CD 1 ATOM 3343 C CE . LYS C 1 36 ? 20.124 35.647 -2.062 1.00 161.01 ? 915 LYS C CE 1 ATOM 3344 N NZ . LYS C 1 36 ? 20.816 35.782 -3.364 1.00 166.57 ? 915 LYS C NZ 1 ATOM 3345 N N . ILE C 1 37 ? 24.274 37.096 3.469 1.00 122.89 ? 916 ILE C N 1 ATOM 3346 C CA . ILE C 1 37 ? 25.605 37.350 4.048 1.00 119.34 ? 916 ILE C CA 1 ATOM 3347 C C . ILE C 1 37 ? 26.677 37.066 2.988 1.00 124.26 ? 916 ILE C C 1 ATOM 3348 O O . ILE C 1 37 ? 26.764 35.957 2.441 1.00 126.39 ? 916 ILE C O 1 ATOM 3349 C CB . ILE C 1 37 ? 25.915 36.633 5.417 1.00 118.80 ? 916 ILE C CB 1 ATOM 3350 C CG1 . ILE C 1 37 ? 24.785 36.801 6.473 1.00 115.89 ? 916 ILE C CG1 1 ATOM 3351 C CG2 . ILE C 1 37 ? 27.280 37.067 5.993 1.00 117.41 ? 916 ILE C CG2 1 ATOM 3352 C CD1 . ILE C 1 37 ? 23.804 35.626 6.589 1.00 120.03 ? 916 ILE C CD1 1 ATOM 3353 N N . THR C 1 38 ? 27.490 38.087 2.715 1.00 118.25 ? 917 THR C N 1 ATOM 3354 C CA . THR C 1 38 ? 28.565 38.031 1.744 1.00 119.82 ? 917 THR C CA 1 ATOM 3355 C C . THR C 1 38 ? 29.914 38.288 2.436 1.00 119.35 ? 917 THR C C 1 ATOM 3356 O O . THR C 1 38 ? 30.954 37.927 1.883 1.00 122.28 ? 917 THR C O 1 ATOM 3357 C CB . THR C 1 38 ? 28.255 38.983 0.572 1.00 130.13 ? 917 THR C CB 1 ATOM 3358 O OG1 . THR C 1 38 ? 27.824 40.244 1.095 1.00 131.47 ? 917 THR C OG1 1 ATOM 3359 C CG2 . THR C 1 38 ? 27.188 38.432 -0.371 1.00 127.89 ? 917 THR C CG2 1 ATOM 3360 N N . ASP C 1 39 ? 29.895 38.878 3.656 1.00 109.64 ? 918 ASP C N 1 ATOM 3361 C CA . ASP C 1 39 ? 31.101 39.207 4.433 1.00 107.19 ? 918 ASP C CA 1 ATOM 3362 C C . ASP C 1 39 ? 31.451 38.232 5.586 1.00 107.15 ? 918 ASP C C 1 ATOM 3363 O O . ASP C 1 39 ? 30.834 37.170 5.715 1.00 104.83 ? 918 ASP C O 1 ATOM 3364 C CB . ASP C 1 39 ? 31.098 40.690 4.896 1.00 106.77 ? 918 ASP C CB 1 ATOM 3365 C CG . ASP C 1 39 ? 29.919 41.142 5.754 1.00 106.49 ? 918 ASP C CG 1 ATOM 3366 O OD1 . ASP C 1 39 ? 29.612 40.460 6.757 1.00 103.64 ? 918 ASP C OD1 1 ATOM 3367 O OD2 . ASP C 1 39 ? 29.378 42.232 5.486 1.00 110.15 ? 918 ASP C OD2 1 ATOM 3368 N N . SER C 1 40 ? 32.456 38.622 6.412 1.00 103.07 ? 919 SER C N 1 ATOM 3369 C CA . SER C 1 40 ? 33.000 37.884 7.558 1.00 101.77 ? 919 SER C CA 1 ATOM 3370 C C . SER C 1 40 ? 32.163 37.949 8.837 1.00 101.61 ? 919 SER C C 1 ATOM 3371 O O . SER C 1 40 ? 32.610 37.431 9.872 1.00 102.67 ? 919 SER C O 1 ATOM 3372 C CB . SER C 1 40 ? 34.433 38.332 7.850 1.00 106.93 ? 919 SER C CB 1 ATOM 3373 O OG . SER C 1 40 ? 34.520 39.633 8.411 1.00 110.57 ? 919 SER C OG 1 ATOM 3374 N N . ARG C 1 41 ? 30.968 38.571 8.794 1.00 94.34 ? 920 ARG C N 1 ATOM 3375 C CA . ARG C 1 41 ? 30.142 38.640 9.999 1.00 92.19 ? 920 ARG C CA 1 ATOM 3376 C C . ARG C 1 41 ? 29.642 37.268 10.471 1.00 94.99 ? 920 ARG C C 1 ATOM 3377 O O . ARG C 1 41 ? 29.460 36.343 9.657 1.00 95.40 ? 920 ARG C O 1 ATOM 3378 C CB . ARG C 1 41 ? 28.967 39.634 9.861 1.00 91.65 ? 920 ARG C CB 1 ATOM 3379 C CG . ARG C 1 41 ? 27.721 39.086 9.147 1.00 91.00 ? 920 ARG C CG 1 ATOM 3380 C CD . ARG C 1 41 ? 26.685 40.154 8.906 1.00 90.92 ? 920 ARG C CD 1 ATOM 3381 N NE . ARG C 1 41 ? 27.211 41.258 8.102 1.00 102.44 ? 920 ARG C NE 1 ATOM 3382 C CZ . ARG C 1 41 ? 26.630 42.448 7.992 1.00 121.41 ? 920 ARG C CZ 1 ATOM 3383 N NH1 . ARG C 1 41 ? 25.491 42.701 8.625 1.00 108.14 ? 920 ARG C NH1 1 ATOM 3384 N NH2 . ARG C 1 41 ? 27.188 43.397 7.252 1.00 112.10 ? 920 ARG C NH2 1 ATOM 3385 N N . TYR C 1 42 ? 29.428 37.157 11.792 1.00 88.74 ? 921 TYR C N 1 ATOM 3386 C CA . TYR C 1 42 ? 28.887 35.965 12.426 1.00 86.26 ? 921 TYR C CA 1 ATOM 3387 C C . TYR C 1 42 ? 27.957 36.385 13.517 1.00 88.20 ? 921 TYR C C 1 ATOM 3388 O O . TYR C 1 42 ? 28.140 37.449 14.124 1.00 88.16 ? 921 TYR C O 1 ATOM 3389 C CB . TYR C 1 42 ? 29.969 35.009 12.949 1.00 89.12 ? 921 TYR C CB 1 ATOM 3390 C CG . TYR C 1 42 ? 30.746 35.485 14.165 1.00 91.66 ? 921 TYR C CG 1 ATOM 3391 C CD1 . TYR C 1 42 ? 30.346 35.137 15.456 1.00 91.73 ? 921 TYR C CD1 1 ATOM 3392 C CD2 . TYR C 1 42 ? 31.950 36.170 14.022 1.00 95.41 ? 921 TYR C CD2 1 ATOM 3393 C CE1 . TYR C 1 42 ? 31.097 35.509 16.576 1.00 94.60 ? 921 TYR C CE1 1 ATOM 3394 C CE2 . TYR C 1 42 ? 32.713 36.537 15.136 1.00 97.11 ? 921 TYR C CE2 1 ATOM 3395 C CZ . TYR C 1 42 ? 32.287 36.199 16.410 1.00 100.33 ? 921 TYR C CZ 1 ATOM 3396 O OH . TYR C 1 42 ? 33.027 36.557 17.510 1.00 99.88 ? 921 TYR C OH 1 ATOM 3397 N N . TYR C 1 43 ? 26.948 35.535 13.769 1.00 83.40 ? 922 TYR C N 1 ATOM 3398 C CA . TYR C 1 43 ? 25.947 35.764 14.801 1.00 80.78 ? 922 TYR C CA 1 ATOM 3399 C C . TYR C 1 43 ? 26.189 34.852 15.946 1.00 85.46 ? 922 TYR C C 1 ATOM 3400 O O . TYR C 1 43 ? 26.649 33.726 15.770 1.00 85.43 ? 922 TYR C O 1 ATOM 3401 C CB . TYR C 1 43 ? 24.540 35.543 14.267 1.00 79.07 ? 922 TYR C CB 1 ATOM 3402 C CG . TYR C 1 43 ? 24.262 36.335 13.015 1.00 81.17 ? 922 TYR C CG 1 ATOM 3403 C CD1 . TYR C 1 43 ? 23.908 37.682 13.082 1.00 83.94 ? 922 TYR C CD1 1 ATOM 3404 C CD2 . TYR C 1 43 ? 24.399 35.753 11.753 1.00 82.24 ? 922 TYR C CD2 1 ATOM 3405 C CE1 . TYR C 1 43 ? 23.689 38.430 11.928 1.00 86.51 ? 922 TYR C CE1 1 ATOM 3406 C CE2 . TYR C 1 43 ? 24.171 36.488 10.594 1.00 84.25 ? 922 TYR C CE2 1 ATOM 3407 C CZ . TYR C 1 43 ? 23.829 37.830 10.686 1.00 93.66 ? 922 TYR C CZ 1 ATOM 3408 O OH . TYR C 1 43 ? 23.606 38.563 9.548 1.00 97.83 ? 922 TYR C OH 1 ATOM 3409 N N . THR C 1 44 ? 25.879 35.342 17.127 1.00 82.66 ? 923 THR C N 1 ATOM 3410 C CA . THR C 1 44 ? 25.989 34.548 18.328 1.00 83.43 ? 923 THR C CA 1 ATOM 3411 C C . THR C 1 44 ? 24.605 34.449 18.947 1.00 85.78 ? 923 THR C C 1 ATOM 3412 O O . THR C 1 44 ? 23.969 35.468 19.223 1.00 85.09 ? 923 THR C O 1 ATOM 3413 C CB . THR C 1 44 ? 27.073 35.096 19.261 1.00 97.74 ? 923 THR C CB 1 ATOM 3414 O OG1 . THR C 1 44 ? 28.278 35.296 18.503 1.00 104.24 ? 923 THR C OG1 1 ATOM 3415 C CG2 . THR C 1 44 ? 27.314 34.179 20.462 1.00 92.67 ? 923 THR C CG2 1 ATOM 3416 N N . VAL C 1 45 ? 24.118 33.217 19.090 1.00 81.50 ? 924 VAL C N 1 ATOM 3417 C CA . VAL C 1 45 ? 22.800 32.939 19.672 1.00 79.57 ? 924 VAL C CA 1 ATOM 3418 C C . VAL C 1 45 ? 23.044 32.547 21.099 1.00 83.91 ? 924 VAL C C 1 ATOM 3419 O O . VAL C 1 45 ? 23.943 31.752 21.358 1.00 84.99 ? 924 VAL C O 1 ATOM 3420 C CB . VAL C 1 45 ? 22.034 31.807 18.908 1.00 80.76 ? 924 VAL C CB 1 ATOM 3421 C CG1 . VAL C 1 45 ? 20.644 31.575 19.494 1.00 79.06 ? 924 VAL C CG1 1 ATOM 3422 C CG2 . VAL C 1 45 ? 21.941 32.114 17.423 1.00 79.84 ? 924 VAL C CG2 1 ATOM 3423 N N . ARG C 1 46 ? 22.243 33.077 22.021 1.00 80.25 ? 925 ARG C N 1 ATOM 3424 C CA . ARG C 1 46 ? 22.344 32.703 23.418 1.00 80.63 ? 925 ARG C CA 1 ATOM 3425 C C . ARG C 1 46 ? 20.974 32.327 23.965 1.00 83.92 ? 925 ARG C C 1 ATOM 3426 O O . ARG C 1 46 ? 19.941 32.876 23.547 1.00 82.92 ? 925 ARG C O 1 ATOM 3427 C CB . ARG C 1 46 ? 23.012 33.805 24.241 1.00 80.69 ? 925 ARG C CB 1 ATOM 3428 C CG . ARG C 1 46 ? 22.161 35.043 24.357 1.00 75.63 ? 925 ARG C CG 1 ATOM 3429 C CD . ARG C 1 46 ? 22.719 35.946 25.396 1.00 81.58 ? 925 ARG C CD 1 ATOM 3430 N NE . ARG C 1 46 ? 21.818 37.076 25.560 1.00 87.92 ? 925 ARG C NE 1 ATOM 3431 C CZ . ARG C 1 46 ? 21.990 38.053 26.433 1.00 99.49 ? 925 ARG C CZ 1 ATOM 3432 N NH1 . ARG C 1 46 ? 23.064 38.069 27.221 1.00 93.96 ? 925 ARG C NH1 1 ATOM 3433 N NH2 . ARG C 1 46 ? 21.100 39.035 26.517 1.00 83.14 ? 925 ARG C NH2 1 ATOM 3434 N N . TRP C 1 47 ? 20.974 31.383 24.901 1.00 80.88 ? 926 TRP C N 1 ATOM 3435 C CA . TRP C 1 47 ? 19.753 30.889 25.514 1.00 79.66 ? 926 TRP C CA 1 ATOM 3436 C C . TRP C 1 47 ? 20.022 30.425 26.903 1.00 87.45 ? 926 TRP C C 1 ATOM 3437 O O . TRP C 1 47 ? 21.124 29.964 27.228 1.00 88.24 ? 926 TRP C O 1 ATOM 3438 C CB . TRP C 1 47 ? 19.098 29.758 24.680 1.00 74.79 ? 926 TRP C CB 1 ATOM 3439 C CG . TRP C 1 47 ? 19.924 28.512 24.543 1.00 74.85 ? 926 TRP C CG 1 ATOM 3440 C CD1 . TRP C 1 47 ? 19.863 27.401 25.331 1.00 77.96 ? 926 TRP C CD1 1 ATOM 3441 C CD2 . TRP C 1 47 ? 20.998 28.286 23.610 1.00 74.67 ? 926 TRP C CD2 1 ATOM 3442 N NE1 . TRP C 1 47 ? 20.821 26.488 24.946 1.00 77.60 ? 926 TRP C NE1 1 ATOM 3443 C CE2 . TRP C 1 47 ? 21.540 27.009 23.898 1.00 79.46 ? 926 TRP C CE2 1 ATOM 3444 C CE3 . TRP C 1 47 ? 21.563 29.041 22.556 1.00 74.95 ? 926 TRP C CE3 1 ATOM 3445 C CZ2 . TRP C 1 47 ? 22.604 26.459 23.152 1.00 79.32 ? 926 TRP C CZ2 1 ATOM 3446 C CZ3 . TRP C 1 47 ? 22.622 28.503 21.834 1.00 76.01 ? 926 TRP C CZ3 1 ATOM 3447 C CH2 . TRP C 1 47 ? 23.140 27.235 22.140 1.00 77.76 ? 926 TRP C CH2 1 ATOM 3448 N N . LYS C 1 48 ? 18.990 30.536 27.723 1.00 86.41 ? 927 LYS C N 1 ATOM 3449 C CA . LYS C 1 48 ? 18.982 30.135 29.112 1.00 90.22 ? 927 LYS C CA 1 ATOM 3450 C C . LYS C 1 48 ? 17.545 29.860 29.487 1.00 97.87 ? 927 LYS C C 1 ATOM 3451 O O . LYS C 1 48 ? 16.630 30.438 28.895 1.00 95.94 ? 927 LYS C O 1 ATOM 3452 C CB . LYS C 1 48 ? 19.619 31.232 30.018 1.00 97.35 ? 927 LYS C CB 1 ATOM 3453 C CG . LYS C 1 48 ? 18.752 32.462 30.313 1.00 102.58 ? 927 LYS C CG 1 ATOM 3454 C CD . LYS C 1 48 ? 19.393 33.369 31.356 1.00 115.43 ? 927 LYS C CD 1 ATOM 3455 C CE . LYS C 1 48 ? 18.383 34.232 32.105 1.00 130.29 ? 927 LYS C CE 1 ATOM 3456 N NZ . LYS C 1 48 ? 18.162 35.580 31.510 1.00 139.11 ? 927 LYS C NZ 1 ATOM 3457 N N . THR C 1 49 ? 17.336 28.982 30.464 1.00 100.80 ? 928 THR C N 1 ATOM 3458 C CA . THR C 1 49 ? 15.979 28.705 30.923 1.00 103.51 ? 928 THR C CA 1 ATOM 3459 C C . THR C 1 49 ? 15.522 29.924 31.734 1.00 117.68 ? 928 THR C C 1 ATOM 3460 O O . THR C 1 49 ? 16.312 30.513 32.482 1.00 120.37 ? 928 THR C O 1 ATOM 3461 C CB . THR C 1 49 ? 15.876 27.417 31.784 1.00 114.74 ? 928 THR C CB 1 ATOM 3462 O OG1 . THR C 1 49 ? 16.459 27.667 33.065 1.00 125.36 ? 928 THR C OG1 1 ATOM 3463 C CG2 . THR C 1 49 ? 16.559 26.221 31.200 1.00 109.12 ? 928 THR C CG2 1 ATOM 3464 N N . ASN C 1 50 ? 14.247 30.284 31.575 1.00 119.35 ? 929 ASN C N 1 ATOM 3465 C CA . ASN C 1 50 ? 13.578 31.386 32.269 1.00 126.27 ? 929 ASN C CA 1 ATOM 3466 C C . ASN C 1 50 ? 13.744 31.302 33.814 1.00 137.46 ? 929 ASN C C 1 ATOM 3467 O O . ASN C 1 50 ? 13.982 32.332 34.459 1.00 142.90 ? 929 ASN C O 1 ATOM 3468 C CB . ASN C 1 50 ? 12.086 31.398 31.884 1.00 128.69 ? 929 ASN C CB 1 ATOM 3469 C CG . ASN C 1 50 ? 11.479 32.780 31.767 1.00 153.18 ? 929 ASN C CG 1 ATOM 3470 O OD1 . ASN C 1 50 ? 11.891 33.607 30.939 1.00 140.22 ? 929 ASN C OD1 1 ATOM 3471 N ND2 . ASN C 1 50 ? 10.462 33.048 32.577 1.00 150.30 ? 929 ASN C ND2 1 ATOM 3472 N N . ILE C 1 51 ? 13.623 30.077 34.391 1.00 133.12 ? 930 ILE C N 1 ATOM 3473 C CA . ILE C 1 51 ? 13.739 29.825 35.831 1.00 161.17 ? 930 ILE C CA 1 ATOM 3474 C C . ILE C 1 51 ? 14.797 28.738 36.101 1.00 183.38 ? 930 ILE C C 1 ATOM 3475 O O . ILE C 1 51 ? 14.729 27.654 35.518 1.00 143.95 ? 930 ILE C O 1 ATOM 3476 C CB . ILE C 1 51 ? 12.381 29.398 36.461 1.00 165.69 ? 930 ILE C CB 1 ATOM 3477 C CG1 . ILE C 1 51 ? 11.046 29.989 35.844 1.00 166.30 ? 930 ILE C CG1 1 ATOM 3478 C CG2 . ILE C 1 51 ? 12.425 29.392 37.998 1.00 171.77 ? 930 ILE C CG2 1 ATOM 3479 C CD1 . ILE C 1 51 ? 10.798 31.541 35.689 1.00 177.16 ? 930 ILE C CD1 1 ATOM 3480 N N . ASN C 1 54 ? 19.170 34.128 36.111 1.00 160.49 ? 933 ASN C N 1 ATOM 3481 C CA . ASN C 1 54 ? 19.980 33.498 37.160 1.00 164.93 ? 933 ASN C CA 1 ATOM 3482 C C . ASN C 1 54 ? 20.873 32.424 36.503 1.00 164.18 ? 933 ASN C C 1 ATOM 3483 O O . ASN C 1 54 ? 22.106 32.562 36.487 1.00 166.22 ? 933 ASN C O 1 ATOM 3484 C CB . ASN C 1 54 ? 19.107 32.934 38.312 1.00 166.78 ? 933 ASN C CB 1 ATOM 3485 C CG . ASN C 1 54 ? 17.612 32.955 38.069 1.00 175.72 ? 933 ASN C CG 1 ATOM 3486 O OD1 . ASN C 1 54 ? 17.055 32.101 37.377 1.00 169.99 ? 933 ASN C OD1 1 ATOM 3487 N ND2 . ASN C 1 54 ? 16.947 33.973 38.581 1.00 167.07 ? 933 ASN C ND2 1 ATOM 3488 N N . THR C 1 55 ? 20.229 31.401 35.880 1.00 154.12 ? 934 THR C N 1 ATOM 3489 C CA . THR C 1 55 ? 20.849 30.320 35.079 1.00 148.82 ? 934 THR C CA 1 ATOM 3490 C C . THR C 1 55 ? 21.860 30.941 34.079 1.00 150.94 ? 934 THR C C 1 ATOM 3491 O O . THR C 1 55 ? 21.581 32.006 33.525 1.00 151.76 ? 934 THR C O 1 ATOM 3492 C CB . THR C 1 55 ? 19.756 29.510 34.320 1.00 150.67 ? 934 THR C CB 1 ATOM 3493 O OG1 . THR C 1 55 ? 18.766 30.387 33.769 1.00 151.96 ? 934 THR C OG1 1 ATOM 3494 C CG2 . THR C 1 55 ? 19.046 28.486 35.203 1.00 151.43 ? 934 THR C CG2 1 ATOM 3495 N N . LYS C 1 56 ? 23.058 30.350 33.935 1.00 144.06 ? 935 LYS C N 1 ATOM 3496 C CA . LYS C 1 56 ? 24.098 30.849 33.019 1.00 140.26 ? 935 LYS C CA 1 ATOM 3497 C C . LYS C 1 56 ? 23.723 30.584 31.569 1.00 130.41 ? 935 LYS C C 1 ATOM 3498 O O . LYS C 1 56 ? 23.122 29.550 31.254 1.00 125.87 ? 935 LYS C O 1 ATOM 3499 C CB . LYS C 1 56 ? 25.459 30.240 33.368 1.00 146.37 ? 935 LYS C CB 1 ATOM 3500 C CG . LYS C 1 56 ? 25.933 30.636 34.766 1.00 166.20 ? 935 LYS C CG 1 ATOM 3501 C CD . LYS C 1 56 ? 26.711 29.527 35.518 1.00 173.90 ? 935 LYS C CD 1 ATOM 3502 C CE . LYS C 1 56 ? 28.074 29.946 36.023 1.00 172.39 ? 935 LYS C CE 1 ATOM 3503 N NZ . LYS C 1 56 ? 28.054 31.262 36.715 1.00 175.46 ? 935 LYS C NZ 1 ATOM 3504 N N . TYR C 1 57 ? 24.036 31.541 30.688 1.00 121.02 ? 936 TYR C N 1 ATOM 3505 C CA . TYR C 1 57 ? 23.705 31.412 29.266 1.00 112.22 ? 936 TYR C CA 1 ATOM 3506 C C . TYR C 1 57 ? 24.581 30.387 28.561 1.00 112.23 ? 936 TYR C C 1 ATOM 3507 O O . TYR C 1 57 ? 25.786 30.292 28.828 1.00 113.30 ? 936 TYR C O 1 ATOM 3508 C CB . TYR C 1 57 ? 23.853 32.746 28.525 1.00 110.73 ? 936 TYR C CB 1 ATOM 3509 C CG . TYR C 1 57 ? 22.722 33.734 28.687 1.00 110.41 ? 936 TYR C CG 1 ATOM 3510 C CD1 . TYR C 1 57 ? 21.561 33.623 27.929 1.00 108.60 ? 936 TYR C CD1 1 ATOM 3511 C CD2 . TYR C 1 57 ? 22.865 34.859 29.494 1.00 115.53 ? 936 TYR C CD2 1 ATOM 3512 C CE1 . TYR C 1 57 ? 20.533 34.561 28.035 1.00 110.53 ? 936 TYR C CE1 1 ATOM 3513 C CE2 . TYR C 1 57 ? 21.851 35.810 29.602 1.00 117.41 ? 936 TYR C CE2 1 ATOM 3514 C CZ . TYR C 1 57 ? 20.680 35.654 28.880 1.00 120.29 ? 936 TYR C CZ 1 ATOM 3515 O OH . TYR C 1 57 ? 19.670 36.590 29.001 1.00 121.84 ? 936 TYR C OH 1 ATOM 3516 N N . LYS C 1 58 ? 23.956 29.623 27.646 1.00 104.29 ? 937 LYS C N 1 ATOM 3517 C CA . LYS C 1 58 ? 24.633 28.708 26.732 1.00 101.60 ? 937 LYS C CA 1 ATOM 3518 C C . LYS C 1 58 ? 24.597 29.472 25.419 1.00 100.44 ? 937 LYS C C 1 ATOM 3519 O O . LYS C 1 58 ? 23.635 30.203 25.174 1.00 97.74 ? 937 LYS C O 1 ATOM 3520 C CB . LYS C 1 58 ? 23.898 27.372 26.598 1.00 100.63 ? 937 LYS C CB 1 ATOM 3521 C CG . LYS C 1 58 ? 24.678 26.219 27.208 1.00 119.07 ? 937 LYS C CG 1 ATOM 3522 C CD . LYS C 1 58 ? 23.967 24.880 27.022 1.00 129.95 ? 937 LYS C CD 1 ATOM 3523 C CE . LYS C 1 58 ? 24.900 23.711 27.149 1.00 146.33 ? 937 LYS C CE 1 ATOM 3524 N NZ . LYS C 1 58 ? 25.367 23.516 28.547 1.00 159.04 ? 937 LYS C NZ 1 ATOM 3525 N N . ASN C 1 59 ? 25.651 29.387 24.619 1.00 97.15 ? 938 ASN C N 1 ATOM 3526 C CA . ASN C 1 59 ? 25.645 30.104 23.349 1.00 95.67 ? 938 ASN C CA 1 ATOM 3527 C C . ASN C 1 59 ? 26.344 29.417 22.191 1.00 101.76 ? 938 ASN C C 1 ATOM 3528 O O . ASN C 1 59 ? 27.134 28.492 22.394 1.00 105.40 ? 938 ASN C O 1 ATOM 3529 C CB . ASN C 1 59 ? 25.959 31.605 23.469 1.00 96.79 ? 938 ASN C CB 1 ATOM 3530 C CG . ASN C 1 59 ? 27.308 31.960 24.008 1.00 121.91 ? 938 ASN C CG 1 ATOM 3531 O OD1 . ASN C 1 59 ? 28.330 31.369 23.647 1.00 117.17 ? 938 ASN C OD1 1 ATOM 3532 N ND2 . ASN C 1 59 ? 27.340 32.994 24.834 1.00 115.33 ? 938 ASN C ND2 1 ATOM 3533 N N . ALA C 1 60 ? 25.997 29.829 20.966 1.00 94.85 ? 939 ALA C N 1 ATOM 3534 C CA . ALA C 1 60 ? 26.527 29.239 19.750 1.00 93.68 ? 939 ALA C CA 1 ATOM 3535 C C . ALA C 1 60 ? 26.696 30.259 18.647 1.00 94.27 ? 939 ALA C C 1 ATOM 3536 O O . ALA C 1 60 ? 25.932 31.226 18.583 1.00 91.50 ? 939 ALA C O 1 ATOM 3537 C CB . ALA C 1 60 ? 25.603 28.140 19.291 1.00 92.62 ? 939 ALA C CB 1 ATOM 3538 N N . ASN C 1 61 ? 27.690 30.033 17.769 1.00 91.60 ? 940 ASN C N 1 ATOM 3539 C CA . ASN C 1 61 ? 27.942 30.896 16.612 1.00 90.75 ? 940 ASN C CA 1 ATOM 3540 C C . ASN C 1 61 ? 27.260 30.336 15.369 1.00 91.02 ? 940 ASN C C 1 ATOM 3541 O O . ASN C 1 61 ? 27.180 29.112 15.193 1.00 90.47 ? 940 ASN C O 1 ATOM 3542 C CB . ASN C 1 61 ? 29.421 31.075 16.343 1.00 93.40 ? 940 ASN C CB 1 ATOM 3543 C CG . ASN C 1 61 ? 30.170 31.891 17.350 1.00 119.76 ? 940 ASN C CG 1 ATOM 3544 O OD1 . ASN C 1 61 ? 29.613 32.743 18.057 1.00 105.89 ? 940 ASN C OD1 1 ATOM 3545 N ND2 . ASN C 1 61 ? 31.473 31.631 17.387 1.00 124.44 ? 940 ASN C ND2 1 ATOM 3546 N N . ALA C 1 62 ? 26.768 31.251 14.513 1.00 84.98 ? 941 ALA C N 1 ATOM 3547 C CA . ALA C 1 62 ? 26.073 30.932 13.280 1.00 84.11 ? 941 ALA C CA 1 ATOM 3548 C C . ALA C 1 62 ? 26.520 31.882 12.179 1.00 88.86 ? 941 ALA C C 1 ATOM 3549 O O . ALA C 1 62 ? 26.795 33.047 12.451 1.00 87.61 ? 941 ALA C O 1 ATOM 3550 C CB . ALA C 1 62 ? 24.560 31.023 13.492 1.00 82.31 ? 941 ALA C CB 1 ATOM 3551 N N . THR C 1 63 ? 26.592 31.388 10.943 1.00 88.47 ? 942 THR C N 1 ATOM 3552 C CA . THR C 1 63 ? 26.974 32.211 9.797 1.00 90.63 ? 942 THR C CA 1 ATOM 3553 C C . THR C 1 63 ? 25.767 32.465 8.883 1.00 96.65 ? 942 THR C C 1 ATOM 3554 O O . THR C 1 63 ? 25.906 33.054 7.805 1.00 98.80 ? 942 THR C O 1 ATOM 3555 C CB . THR C 1 63 ? 28.231 31.649 9.100 1.00 102.75 ? 942 THR C CB 1 ATOM 3556 O OG1 . THR C 1 63 ? 28.012 30.296 8.692 1.00 107.25 ? 942 THR C OG1 1 ATOM 3557 C CG2 . THR C 1 63 ? 29.467 31.735 9.980 1.00 101.29 ? 942 THR C CG2 1 ATOM 3558 N N . THR C 1 64 ? 24.583 32.023 9.333 1.00 91.89 ? 943 THR C N 1 ATOM 3559 C CA . THR C 1 64 ? 23.310 32.159 8.628 1.00 92.71 ? 943 THR C CA 1 ATOM 3560 C C . THR C 1 64 ? 22.305 32.879 9.529 1.00 92.99 ? 943 THR C C 1 ATOM 3561 O O . THR C 1 64 ? 22.585 33.065 10.714 1.00 90.96 ? 943 THR C O 1 ATOM 3562 C CB . THR C 1 64 ? 22.800 30.782 8.136 1.00 105.21 ? 943 THR C CB 1 ATOM 3563 O OG1 . THR C 1 64 ? 22.641 29.895 9.250 1.00 103.62 ? 943 THR C OG1 1 ATOM 3564 C CG2 . THR C 1 64 ? 23.710 30.157 7.082 1.00 106.16 ? 943 THR C CG2 1 ATOM 3565 N N . LEU C 1 65 ? 21.144 33.287 8.970 1.00 88.56 ? 944 LEU C N 1 ATOM 3566 C CA . LEU C 1 65 ? 20.104 33.991 9.712 1.00 86.60 ? 944 LEU C CA 1 ATOM 3567 C C . LEU C 1 65 ? 19.149 33.038 10.475 1.00 90.47 ? 944 LEU C C 1 ATOM 3568 O O . LEU C 1 65 ? 17.949 33.322 10.645 1.00 90.38 ? 944 LEU C O 1 ATOM 3569 C CB . LEU C 1 65 ? 19.339 34.954 8.808 1.00 88.96 ? 944 LEU C CB 1 ATOM 3570 C CG . LEU C 1 65 ? 20.104 36.108 8.237 1.00 96.36 ? 944 LEU C CG 1 ATOM 3571 C CD1 . LEU C 1 65 ? 19.268 36.802 7.240 1.00 101.57 ? 944 LEU C CD1 1 ATOM 3572 C CD2 . LEU C 1 65 ? 20.504 37.103 9.302 1.00 97.29 ? 944 LEU C CD2 1 ATOM 3573 N N . SER C 1 66 ? 19.711 31.911 10.952 1.00 84.50 ? 945 SER C N 1 ATOM 3574 C CA . SER C 1 66 ? 19.031 30.906 11.747 1.00 82.18 ? 945 SER C CA 1 ATOM 3575 C C . SER C 1 66 ? 20.025 30.003 12.471 1.00 82.34 ? 945 SER C C 1 ATOM 3576 O O . SER C 1 66 ? 21.165 29.828 12.030 1.00 82.72 ? 945 SER C O 1 ATOM 3577 C CB . SER C 1 66 ? 18.090 30.062 10.888 1.00 89.06 ? 945 SER C CB 1 ATOM 3578 O OG . SER C 1 66 ? 18.801 29.182 10.031 1.00 94.22 ? 945 SER C OG 1 ATOM 3579 N N . TYR C 1 67 ? 19.565 29.408 13.570 1.00 76.26 ? 946 TYR C N 1 ATOM 3580 C CA . TYR C 1 67 ? 20.325 28.457 14.359 1.00 74.62 ? 946 TYR C CA 1 ATOM 3581 C C . TYR C 1 67 ? 19.376 27.402 14.972 1.00 80.61 ? 946 TYR C C 1 ATOM 3582 O O . TYR C 1 67 ? 18.278 27.719 15.472 1.00 78.31 ? 946 TYR C O 1 ATOM 3583 C CB . TYR C 1 67 ? 21.195 29.162 15.429 1.00 72.94 ? 946 TYR C CB 1 ATOM 3584 C CG . TYR C 1 67 ? 22.103 28.200 16.143 1.00 72.30 ? 946 TYR C CG 1 ATOM 3585 C CD1 . TYR C 1 67 ? 23.276 27.752 15.545 1.00 75.88 ? 946 TYR C CD1 1 ATOM 3586 C CD2 . TYR C 1 67 ? 21.746 27.659 17.377 1.00 71.34 ? 946 TYR C CD2 1 ATOM 3587 C CE1 . TYR C 1 67 ? 24.070 26.781 16.149 1.00 77.72 ? 946 TYR C CE1 1 ATOM 3588 C CE2 . TYR C 1 67 ? 22.532 26.688 17.997 1.00 73.09 ? 946 TYR C CE2 1 ATOM 3589 C CZ . TYR C 1 67 ? 23.695 26.250 17.374 1.00 83.96 ? 946 TYR C CZ 1 ATOM 3590 O OH . TYR C 1 67 ? 24.507 25.317 17.972 1.00 85.54 ? 946 TYR C OH 1 ATOM 3591 N N . LEU C 1 68 ? 19.819 26.145 14.918 1.00 80.25 ? 947 LEU C N 1 ATOM 3592 C CA . LEU C 1 68 ? 19.068 25.043 15.479 1.00 80.34 ? 947 LEU C CA 1 ATOM 3593 C C . LEU C 1 68 ? 19.572 24.759 16.884 1.00 85.95 ? 947 LEU C C 1 ATOM 3594 O O . LEU C 1 68 ? 20.662 24.191 17.059 1.00 87.82 ? 947 LEU C O 1 ATOM 3595 C CB . LEU C 1 68 ? 19.222 23.817 14.589 1.00 83.20 ? 947 LEU C CB 1 ATOM 3596 C CG . LEU C 1 68 ? 18.203 22.725 14.794 1.00 89.81 ? 947 LEU C CG 1 ATOM 3597 C CD1 . LEU C 1 68 ? 16.868 23.130 14.217 1.00 91.33 ? 947 LEU C CD1 1 ATOM 3598 C CD2 . LEU C 1 68 ? 18.665 21.441 14.161 1.00 98.32 ? 947 LEU C CD2 1 ATOM 3599 N N . VAL C 1 69 ? 18.797 25.186 17.887 1.00 81.54 ? 948 VAL C N 1 ATOM 3600 C CA . VAL C 1 69 ? 19.181 24.967 19.275 1.00 81.28 ? 948 VAL C CA 1 ATOM 3601 C C . VAL C 1 69 ? 18.744 23.561 19.673 1.00 88.61 ? 948 VAL C C 1 ATOM 3602 O O . VAL C 1 69 ? 17.548 23.264 19.691 1.00 88.14 ? 948 VAL C O 1 ATOM 3603 C CB . VAL C 1 69 ? 18.672 26.039 20.266 1.00 82.54 ? 948 VAL C CB 1 ATOM 3604 C CG1 . VAL C 1 69 ? 19.282 25.807 21.638 1.00 83.21 ? 948 VAL C CG1 1 ATOM 3605 C CG2 . VAL C 1 69 ? 18.974 27.450 19.776 1.00 81.49 ? 948 VAL C CG2 1 ATOM 3606 N N . THR C 1 70 ? 19.731 22.706 19.971 1.00 87.69 ? 949 THR C N 1 ATOM 3607 C CA . THR C 1 70 ? 19.521 21.313 20.348 1.00 88.82 ? 949 THR C CA 1 ATOM 3608 C C . THR C 1 70 ? 19.897 21.060 21.808 1.00 93.54 ? 949 THR C C 1 ATOM 3609 O O . THR C 1 70 ? 20.350 21.986 22.494 1.00 92.24 ? 949 THR C O 1 ATOM 3610 C CB . THR C 1 70 ? 20.260 20.386 19.362 1.00 95.60 ? 949 THR C CB 1 ATOM 3611 O OG1 . THR C 1 70 ? 21.671 20.636 19.437 1.00 90.21 ? 949 THR C OG1 1 ATOM 3612 C CG2 . THR C 1 70 ? 19.751 20.530 17.924 1.00 95.80 ? 949 THR C CG2 1 ATOM 3613 N N . GLY C 1 71 ? 19.655 19.820 22.272 1.00 92.07 ? 950 GLY C N 1 ATOM 3614 C CA . GLY C 1 71 ? 19.961 19.370 23.629 1.00 92.47 ? 950 GLY C CA 1 ATOM 3615 C C . GLY C 1 71 ? 19.246 20.112 24.744 1.00 92.39 ? 950 GLY C C 1 ATOM 3616 O O . GLY C 1 71 ? 19.738 20.141 25.877 1.00 94.36 ? 950 GLY C O 1 ATOM 3617 N N . LEU C 1 72 ? 18.080 20.715 24.437 1.00 83.09 ? 951 LEU C N 1 ATOM 3618 C CA . LEU C 1 72 ? 17.284 21.442 25.424 1.00 79.91 ? 951 LEU C CA 1 ATOM 3619 C C . LEU C 1 72 ? 16.520 20.440 26.308 1.00 84.21 ? 951 LEU C C 1 ATOM 3620 O O . LEU C 1 72 ? 16.420 19.254 25.960 1.00 83.76 ? 951 LEU C O 1 ATOM 3621 C CB . LEU C 1 72 ? 16.334 22.426 24.729 1.00 76.96 ? 951 LEU C CB 1 ATOM 3622 C CG . LEU C 1 72 ? 17.004 23.522 23.902 1.00 78.24 ? 951 LEU C CG 1 ATOM 3623 C CD1 . LEU C 1 72 ? 16.005 24.214 23.020 1.00 76.03 ? 951 LEU C CD1 1 ATOM 3624 C CD2 . LEU C 1 72 ? 17.685 24.531 24.772 1.00 77.48 ? 951 LEU C CD2 1 ATOM 3625 N N . LYS C 1 73 ? 16.037 20.890 27.478 1.00 80.70 ? 952 LYS C N 1 ATOM 3626 C CA . LYS C 1 73 ? 15.291 19.998 28.369 1.00 80.14 ? 952 LYS C CA 1 ATOM 3627 C C . LYS C 1 73 ? 13.828 19.972 27.925 1.00 79.41 ? 952 LYS C C 1 ATOM 3628 O O . LYS C 1 73 ? 13.315 21.024 27.526 1.00 77.33 ? 952 LYS C O 1 ATOM 3629 C CB . LYS C 1 73 ? 15.393 20.440 29.844 1.00 84.82 ? 952 LYS C CB 1 ATOM 3630 C CG . LYS C 1 73 ? 16.759 20.139 30.455 1.00 110.33 ? 952 LYS C CG 1 ATOM 3631 C CD . LYS C 1 73 ? 16.788 19.838 31.947 1.00 128.22 ? 952 LYS C CD 1 ATOM 3632 C CE . LYS C 1 73 ? 18.246 19.876 32.365 1.00 145.27 ? 952 LYS C CE 1 ATOM 3633 N NZ . LYS C 1 73 ? 18.490 19.285 33.708 1.00 156.77 ? 952 LYS C NZ 1 ATOM 3634 N N . PRO C 1 74 ? 13.119 18.817 28.000 1.00 73.98 ? 953 PRO C N 1 ATOM 3635 C CA . PRO C 1 74 ? 11.682 18.830 27.652 1.00 71.63 ? 953 PRO C CA 1 ATOM 3636 C C . PRO C 1 74 ? 10.844 19.686 28.602 1.00 73.11 ? 953 PRO C C 1 ATOM 3637 O O . PRO C 1 74 ? 11.226 19.887 29.754 1.00 74.26 ? 953 PRO C O 1 ATOM 3638 C CB . PRO C 1 74 ? 11.271 17.351 27.693 1.00 73.78 ? 953 PRO C CB 1 ATOM 3639 C CG . PRO C 1 74 ? 12.317 16.677 28.474 1.00 80.40 ? 953 PRO C CG 1 ATOM 3640 C CD . PRO C 1 74 ? 13.569 17.480 28.442 1.00 76.37 ? 953 PRO C CD 1 ATOM 3641 N N . ASN C 1 75 ? 9.718 20.215 28.115 1.00 69.38 ? 954 ASN C N 1 ATOM 3642 C CA . ASN C 1 75 ? 8.778 21.017 28.917 1.00 71.16 ? 954 ASN C CA 1 ATOM 3643 C C . ASN C 1 75 ? 9.464 22.164 29.657 1.00 77.45 ? 954 ASN C C 1 ATOM 3644 O O . ASN C 1 75 ? 9.236 22.376 30.836 1.00 79.38 ? 954 ASN C O 1 ATOM 3645 C CB . ASN C 1 75 ? 8.016 20.100 29.896 1.00 70.48 ? 954 ASN C CB 1 ATOM 3646 C CG . ASN C 1 75 ? 6.804 20.727 30.515 1.00 84.33 ? 954 ASN C CG 1 ATOM 3647 O OD1 . ASN C 1 75 ? 5.956 21.289 29.820 1.00 82.92 ? 954 ASN C OD1 1 ATOM 3648 N ND2 . ASN C 1 75 ? 6.694 20.620 31.834 1.00 76.74 ? 954 ASN C ND2 1 ATOM 3649 N N . THR C 1 76 ? 10.330 22.886 28.963 1.00 76.24 ? 955 THR C N 1 ATOM 3650 C CA . THR C 1 76 ? 11.094 23.972 29.565 1.00 78.42 ? 955 THR C CA 1 ATOM 3651 C C . THR C 1 76 ? 11.002 25.232 28.708 1.00 79.84 ? 955 THR C C 1 ATOM 3652 O O . THR C 1 76 ? 11.182 25.175 27.499 1.00 75.14 ? 955 THR C O 1 ATOM 3653 C CB . THR C 1 76 ? 12.567 23.521 29.803 1.00 93.99 ? 955 THR C CB 1 ATOM 3654 O OG1 . THR C 1 76 ? 12.595 22.349 30.622 1.00 97.82 ? 955 THR C OG1 1 ATOM 3655 C CG2 . THR C 1 76 ? 13.418 24.593 30.452 1.00 95.73 ? 955 THR C CG2 1 ATOM 3656 N N . LEU C 1 77 ? 10.731 26.364 29.362 1.00 80.06 ? 956 LEU C N 1 ATOM 3657 C CA . LEU C 1 77 ? 10.666 27.673 28.743 1.00 81.13 ? 956 LEU C CA 1 ATOM 3658 C C . LEU C 1 77 ? 12.087 28.246 28.718 1.00 87.33 ? 956 LEU C C 1 ATOM 3659 O O . LEU C 1 77 ? 12.780 28.240 29.746 1.00 89.82 ? 956 LEU C O 1 ATOM 3660 C CB . LEU C 1 77 ? 9.705 28.610 29.509 1.00 84.54 ? 956 LEU C CB 1 ATOM 3661 C CG . LEU C 1 77 ? 9.493 29.996 28.903 1.00 90.12 ? 956 LEU C CG 1 ATOM 3662 C CD1 . LEU C 1 77 ? 8.789 29.921 27.550 1.00 87.63 ? 956 LEU C CD1 1 ATOM 3663 C CD2 . LEU C 1 77 ? 8.718 30.853 29.826 1.00 97.14 ? 956 LEU C CD2 1 ATOM 3664 N N . TYR C 1 78 ? 12.512 28.697 27.521 1.00 82.15 ? 957 TYR C N 1 ATOM 3665 C CA . TYR C 1 78 ? 13.820 29.270 27.249 1.00 81.75 ? 957 TYR C CA 1 ATOM 3666 C C . TYR C 1 78 ? 13.634 30.657 26.673 1.00 85.82 ? 957 TYR C C 1 ATOM 3667 O O . TYR C 1 78 ? 12.598 30.956 26.058 1.00 84.82 ? 957 TYR C O 1 ATOM 3668 C CB . TYR C 1 78 ? 14.611 28.393 26.247 1.00 81.00 ? 957 TYR C CB 1 ATOM 3669 C CG . TYR C 1 78 ? 15.104 27.078 26.809 1.00 84.50 ? 957 TYR C CG 1 ATOM 3670 C CD1 . TYR C 1 78 ? 16.310 26.998 27.490 1.00 87.96 ? 957 TYR C CD1 1 ATOM 3671 C CD2 . TYR C 1 78 ? 14.365 25.912 26.659 1.00 85.33 ? 957 TYR C CD2 1 ATOM 3672 C CE1 . TYR C 1 78 ? 16.766 25.794 28.023 1.00 88.50 ? 957 TYR C CE1 1 ATOM 3673 C CE2 . TYR C 1 78 ? 14.810 24.699 27.194 1.00 86.91 ? 957 TYR C CE2 1 ATOM 3674 C CZ . TYR C 1 78 ? 16.002 24.652 27.898 1.00 97.40 ? 957 TYR C CZ 1 ATOM 3675 O OH . TYR C 1 78 ? 16.451 23.474 28.447 1.00 103.48 ? 957 TYR C OH 1 ATOM 3676 N N . GLU C 1 79 ? 14.650 31.507 26.899 1.00 84.88 ? 958 GLU C N 1 ATOM 3677 C CA . GLU C 1 79 ? 14.775 32.875 26.390 1.00 87.18 ? 958 GLU C CA 1 ATOM 3678 C C . GLU C 1 79 ? 15.895 32.799 25.366 1.00 89.52 ? 958 GLU C C 1 ATOM 3679 O O . GLU C 1 79 ? 16.926 32.173 25.619 1.00 89.15 ? 958 GLU C O 1 ATOM 3680 C CB . GLU C 1 79 ? 15.238 33.872 27.484 1.00 93.17 ? 958 GLU C CB 1 ATOM 3681 C CG . GLU C 1 79 ? 14.442 33.935 28.774 1.00 111.20 ? 958 GLU C CG 1 ATOM 3682 C CD . GLU C 1 79 ? 14.985 34.914 29.803 1.00 144.75 ? 958 GLU C CD 1 ATOM 3683 O OE1 . GLU C 1 79 ? 15.457 36.010 29.419 1.00 132.53 ? 958 GLU C OE1 1 ATOM 3684 O OE2 . GLU C 1 79 ? 14.925 34.587 31.010 1.00 157.50 ? 958 GLU C OE2 1 ATOM 3685 N N . PHE C 1 80 ? 15.728 33.464 24.244 1.00 85.76 ? 959 PHE C N 1 ATOM 3686 C CA . PHE C 1 80 ? 16.759 33.486 23.212 1.00 84.37 ? 959 PHE C CA 1 ATOM 3687 C C . PHE C 1 80 ? 17.002 34.904 22.774 1.00 90.74 ? 959 PHE C C 1 ATOM 3688 O O . PHE C 1 80 ? 16.058 35.698 22.692 1.00 93.28 ? 959 PHE C O 1 ATOM 3689 C CB . PHE C 1 80 ? 16.340 32.640 21.978 1.00 83.36 ? 959 PHE C CB 1 ATOM 3690 C CG . PHE C 1 80 ? 15.912 31.228 22.278 1.00 82.41 ? 959 PHE C CG 1 ATOM 3691 C CD1 . PHE C 1 80 ? 16.837 30.188 22.285 1.00 83.20 ? 959 PHE C CD1 1 ATOM 3692 C CD2 . PHE C 1 80 ? 14.581 30.933 22.524 1.00 83.58 ? 959 PHE C CD2 1 ATOM 3693 C CE1 . PHE C 1 80 ? 16.440 28.880 22.569 1.00 82.37 ? 959 PHE C CE1 1 ATOM 3694 C CE2 . PHE C 1 80 ? 14.187 29.635 22.823 1.00 84.45 ? 959 PHE C CE2 1 ATOM 3695 C CZ . PHE C 1 80 ? 15.119 28.610 22.823 1.00 81.39 ? 959 PHE C CZ 1 ATOM 3696 N N . SER C 1 81 ? 18.257 35.212 22.477 1.00 86.41 ? 960 SER C N 1 ATOM 3697 C CA . SER C 1 81 ? 18.680 36.510 21.946 1.00 88.26 ? 960 SER C CA 1 ATOM 3698 C C . SER C 1 81 ? 19.900 36.300 21.079 1.00 89.56 ? 960 SER C C 1 ATOM 3699 O O . SER C 1 81 ? 20.617 35.297 21.222 1.00 88.71 ? 960 SER C O 1 ATOM 3700 C CB . SER C 1 81 ? 18.902 37.565 23.035 1.00 96.89 ? 960 SER C CB 1 ATOM 3701 O OG . SER C 1 81 ? 19.293 37.010 24.277 1.00 109.00 ? 960 SER C OG 1 ATOM 3702 N N . VAL C 1 82 ? 20.062 37.191 20.104 1.00 84.79 ? 961 VAL C N 1 ATOM 3703 C CA . VAL C 1 82 ? 21.136 37.122 19.121 1.00 83.12 ? 961 VAL C CA 1 ATOM 3704 C C . VAL C 1 82 ? 21.861 38.455 19.101 1.00 88.16 ? 961 VAL C C 1 ATOM 3705 O O . VAL C 1 82 ? 21.275 39.494 19.417 1.00 89.78 ? 961 VAL C O 1 ATOM 3706 C CB . VAL C 1 82 ? 20.604 36.776 17.680 1.00 85.55 ? 961 VAL C CB 1 ATOM 3707 C CG1 . VAL C 1 82 ? 21.700 36.179 16.801 1.00 84.09 ? 961 VAL C CG1 1 ATOM 3708 C CG2 . VAL C 1 82 ? 19.375 35.849 17.711 1.00 84.19 ? 961 VAL C CG2 1 ATOM 3709 N N . MET C 1 83 ? 23.138 38.410 18.693 1.00 83.41 ? 962 MET C N 1 ATOM 3710 C CA . MET C 1 83 ? 23.989 39.561 18.443 1.00 83.60 ? 962 MET C CA 1 ATOM 3711 C C . MET C 1 83 ? 24.774 39.265 17.161 1.00 86.28 ? 962 MET C C 1 ATOM 3712 O O . MET C 1 83 ? 24.766 38.120 16.690 1.00 82.82 ? 962 MET C O 1 ATOM 3713 C CB . MET C 1 83 ? 24.917 39.857 19.626 1.00 87.91 ? 962 MET C CB 1 ATOM 3714 C CG . MET C 1 83 ? 26.020 38.844 19.788 1.00 90.43 ? 962 MET C CG 1 ATOM 3715 S SD . MET C 1 83 ? 27.279 39.436 20.916 1.00 98.74 ? 962 MET C SD 1 ATOM 3716 C CE . MET C 1 83 ? 28.171 40.555 19.839 1.00 96.07 ? 962 MET C CE 1 ATOM 3717 N N . VAL C 1 84 ? 25.431 40.300 16.605 1.00 84.88 ? 963 VAL C N 1 ATOM 3718 C CA . VAL C 1 84 ? 26.250 40.225 15.405 1.00 83.92 ? 963 VAL C CA 1 ATOM 3719 C C . VAL C 1 84 ? 27.638 40.810 15.698 1.00 90.88 ? 963 VAL C C 1 ATOM 3720 O O . VAL C 1 84 ? 27.762 41.778 16.451 1.00 91.48 ? 963 VAL C O 1 ATOM 3721 C CB . VAL C 1 84 ? 25.550 40.857 14.152 1.00 86.85 ? 963 VAL C CB 1 ATOM 3722 C CG1 . VAL C 1 84 ? 25.272 42.357 14.325 1.00 88.69 ? 963 VAL C CG1 1 ATOM 3723 C CG2 . VAL C 1 84 ? 26.331 40.584 12.874 1.00 86.29 ? 963 VAL C CG2 1 ATOM 3724 N N . THR C 1 85 ? 28.673 40.189 15.109 1.00 88.98 ? 964 THR C N 1 ATOM 3725 C CA . THR C 1 85 ? 30.079 40.580 15.177 1.00 91.23 ? 964 THR C CA 1 ATOM 3726 C C . THR C 1 85 ? 30.649 40.519 13.761 1.00 95.20 ? 964 THR C C 1 ATOM 3727 O O . THR C 1 85 ? 30.386 39.555 13.044 1.00 93.74 ? 964 THR C O 1 ATOM 3728 C CB . THR C 1 85 ? 30.862 39.631 16.107 1.00 104.45 ? 964 THR C CB 1 ATOM 3729 O OG1 . THR C 1 85 ? 30.224 39.560 17.379 1.00 111.85 ? 964 THR C OG1 1 ATOM 3730 C CG2 . THR C 1 85 ? 32.310 40.054 16.296 1.00 107.69 ? 964 THR C CG2 1 ATOM 3731 N N . LYS C 1 86 ? 31.415 41.546 13.365 1.00 94.16 ? 965 LYS C N 1 ATOM 3732 C CA . LYS C 1 86 ? 32.125 41.637 12.079 1.00 95.44 ? 965 LYS C CA 1 ATOM 3733 C C . LYS C 1 86 ? 33.468 42.299 12.386 1.00 104.56 ? 965 LYS C C 1 ATOM 3734 O O . LYS C 1 86 ? 33.585 43.533 12.386 1.00 104.34 ? 965 LYS C O 1 ATOM 3735 C CB . LYS C 1 86 ? 31.327 42.409 11.001 1.00 95.75 ? 965 LYS C CB 1 ATOM 3736 C CG . LYS C 1 86 ? 31.947 42.313 9.605 1.00 92.95 ? 965 LYS C CG 1 ATOM 3737 C CD . LYS C 1 86 ? 31.200 43.157 8.571 1.00 95.21 ? 965 LYS C CD 1 ATOM 3738 C CE . LYS C 1 86 ? 32.092 44.117 7.819 1.00 93.75 ? 965 LYS C CE 1 ATOM 3739 N NZ . LYS C 1 86 ? 33.020 43.410 6.905 1.00 104.97 ? 965 LYS C NZ 1 ATOM 3740 N N . GLY C 1 87 ? 34.441 41.457 12.731 1.00 104.76 ? 966 GLY C N 1 ATOM 3741 C CA . GLY C 1 87 ? 35.780 41.882 13.118 1.00 108.57 ? 966 GLY C CA 1 ATOM 3742 C C . GLY C 1 87 ? 35.795 42.538 14.483 1.00 116.67 ? 966 GLY C C 1 ATOM 3743 O O . GLY C 1 87 ? 35.275 41.971 15.456 1.00 115.55 ? 966 GLY C O 1 ATOM 3744 N N . ARG C 1 88 ? 36.391 43.752 14.551 1.00 118.14 ? 967 ARG C N 1 ATOM 3745 C CA . ARG C 1 88 ? 36.520 44.582 15.760 1.00 121.61 ? 967 ARG C CA 1 ATOM 3746 C C . ARG C 1 88 ? 35.146 45.103 16.246 1.00 124.68 ? 967 ARG C C 1 ATOM 3747 O O . ARG C 1 88 ? 34.965 45.320 17.453 1.00 128.04 ? 967 ARG C O 1 ATOM 3748 C CB . ARG C 1 88 ? 37.496 45.744 15.517 1.00 125.27 ? 967 ARG C CB 1 ATOM 3749 C CG . ARG C 1 88 ? 38.940 45.296 15.248 1.00 138.93 ? 967 ARG C CG 1 ATOM 3750 C CD . ARG C 1 88 ? 39.951 46.440 15.295 1.00 145.19 ? 967 ARG C CD 1 ATOM 3751 N NE . ARG C 1 88 ? 39.852 47.317 14.123 1.00 147.04 ? 967 ARG C NE 1 ATOM 3752 C CZ . ARG C 1 88 ? 40.655 48.351 13.881 1.00 161.45 ? 967 ARG C CZ 1 ATOM 3753 N NH1 . ARG C 1 88 ? 41.637 48.651 14.722 1.00 152.93 ? 967 ARG C NH1 1 ATOM 3754 N NH2 . ARG C 1 88 ? 40.483 49.090 12.794 1.00 143.81 ? 967 ARG C NH2 1 ATOM 3755 N N . ARG C 1 89 ? 34.184 45.272 15.304 1.00 115.66 ? 968 ARG C N 1 ATOM 3756 C CA . ARG C 1 89 ? 32.823 45.741 15.568 1.00 113.24 ? 968 ARG C CA 1 ATOM 3757 C C . ARG C 1 89 ? 31.893 44.610 16.051 1.00 114.95 ? 968 ARG C C 1 ATOM 3758 O O . ARG C 1 89 ? 32.048 43.449 15.662 1.00 112.07 ? 968 ARG C O 1 ATOM 3759 C CB . ARG C 1 89 ? 32.215 46.379 14.312 1.00 109.29 ? 968 ARG C CB 1 ATOM 3760 C CG . ARG C 1 89 ? 32.892 47.648 13.843 1.00 115.80 ? 968 ARG C CG 1 ATOM 3761 C CD . ARG C 1 89 ? 32.151 48.240 12.660 1.00 118.17 ? 968 ARG C CD 1 ATOM 3762 N NE . ARG C 1 89 ? 30.934 48.939 13.084 1.00 124.76 ? 968 ARG C NE 1 ATOM 3763 C CZ . ARG C 1 89 ? 29.812 49.001 12.374 1.00 132.17 ? 968 ARG C CZ 1 ATOM 3764 N NH1 . ARG C 1 89 ? 29.723 48.382 11.201 1.00 113.53 ? 968 ARG C NH1 1 ATOM 3765 N NH2 . ARG C 1 89 ? 28.762 49.668 12.839 1.00 117.93 ? 968 ARG C NH2 1 ATOM 3766 N N . SER C 1 90 ? 30.908 44.977 16.885 1.00 112.65 ? 969 SER C N 1 ATOM 3767 C CA . SER C 1 90 ? 29.876 44.087 17.413 1.00 109.82 ? 969 SER C CA 1 ATOM 3768 C C . SER C 1 90 ? 28.635 44.894 17.836 1.00 112.99 ? 969 SER C C 1 ATOM 3769 O O . SER C 1 90 ? 28.720 46.120 17.996 1.00 116.24 ? 969 SER C O 1 ATOM 3770 C CB . SER C 1 90 ? 30.418 43.198 18.537 1.00 114.68 ? 969 SER C CB 1 ATOM 3771 O OG . SER C 1 90 ? 30.103 43.645 19.846 1.00 126.16 ? 969 SER C OG 1 ATOM 3772 N N . SER C 1 91 ? 27.483 44.207 17.971 1.00 105.51 ? 970 SER C N 1 ATOM 3773 C CA . SER C 1 91 ? 26.213 44.802 18.371 1.00 105.76 ? 970 SER C CA 1 ATOM 3774 C C . SER C 1 91 ? 25.862 44.337 19.784 1.00 111.46 ? 970 SER C C 1 ATOM 3775 O O . SER C 1 91 ? 26.561 43.485 20.352 1.00 111.96 ? 970 SER C O 1 ATOM 3776 C CB . SER C 1 91 ? 25.108 44.368 17.409 1.00 105.17 ? 970 SER C CB 1 ATOM 3777 O OG . SER C 1 91 ? 24.547 43.106 17.735 1.00 114.06 ? 970 SER C OG 1 ATOM 3778 N N . THR C 1 92 ? 24.753 44.872 20.345 1.00 107.73 ? 971 THR C N 1 ATOM 3779 C CA . THR C 1 92 ? 24.241 44.402 21.626 1.00 107.53 ? 971 THR C CA 1 ATOM 3780 C C . THR C 1 92 ? 23.349 43.188 21.336 1.00 104.61 ? 971 THR C C 1 ATOM 3781 O O . THR C 1 92 ? 23.226 42.758 20.184 1.00 100.18 ? 971 THR C O 1 ATOM 3782 C CB . THR C 1 92 ? 23.513 45.510 22.408 1.00 116.01 ? 971 THR C CB 1 ATOM 3783 O OG1 . THR C 1 92 ? 22.660 46.252 21.543 1.00 112.27 ? 971 THR C OG1 1 ATOM 3784 C CG2 . THR C 1 92 ? 24.462 46.430 23.126 1.00 120.18 ? 971 THR C CG2 1 ATOM 3785 N N . TRP C 1 93 ? 22.735 42.632 22.378 1.00 101.76 ? 972 TRP C N 1 ATOM 3786 C CA . TRP C 1 93 ? 21.826 41.511 22.215 1.00 97.62 ? 972 TRP C CA 1 ATOM 3787 C C . TRP C 1 93 ? 20.482 42.022 21.741 1.00 105.16 ? 972 TRP C C 1 ATOM 3788 O O . TRP C 1 93 ? 20.028 43.096 22.162 1.00 110.02 ? 972 TRP C O 1 ATOM 3789 C CB . TRP C 1 93 ? 21.705 40.710 23.506 1.00 95.97 ? 972 TRP C CB 1 ATOM 3790 C CG . TRP C 1 93 ? 22.989 40.039 23.884 1.00 95.70 ? 972 TRP C CG 1 ATOM 3791 C CD1 . TRP C 1 93 ? 23.895 40.471 24.799 1.00 102.38 ? 972 TRP C CD1 1 ATOM 3792 C CD2 . TRP C 1 93 ? 23.542 38.845 23.302 1.00 91.49 ? 972 TRP C CD2 1 ATOM 3793 N NE1 . TRP C 1 93 ? 24.970 39.612 24.850 1.00 100.65 ? 972 TRP C NE1 1 ATOM 3794 C CE2 . TRP C 1 93 ? 24.787 38.609 23.935 1.00 97.15 ? 972 TRP C CE2 1 ATOM 3795 C CE3 . TRP C 1 93 ? 23.104 37.944 22.312 1.00 88.11 ? 972 TRP C CE3 1 ATOM 3796 C CZ2 . TRP C 1 93 ? 25.596 37.506 23.620 1.00 94.56 ? 972 TRP C CZ2 1 ATOM 3797 C CZ3 . TRP C 1 93 ? 23.906 36.854 21.994 1.00 87.88 ? 972 TRP C CZ3 1 ATOM 3798 C CH2 . TRP C 1 93 ? 25.127 36.631 22.655 1.00 90.89 ? 972 TRP C CH2 1 ATOM 3799 N N . SER C 1 94 ? 19.879 41.269 20.820 1.00 98.73 ? 973 SER C N 1 ATOM 3800 C CA . SER C 1 94 ? 18.588 41.561 20.209 1.00 99.57 ? 973 SER C CA 1 ATOM 3801 C C . SER C 1 94 ? 17.465 41.496 21.230 1.00 109.19 ? 973 SER C C 1 ATOM 3802 O O . SER C 1 94 ? 17.693 41.179 22.410 1.00 109.20 ? 973 SER C O 1 ATOM 3803 C CB . SER C 1 94 ? 18.303 40.535 19.112 1.00 97.07 ? 973 SER C CB 1 ATOM 3804 O OG . SER C 1 94 ? 18.006 39.247 19.633 1.00 95.94 ? 973 SER C OG 1 ATOM 3805 N N . MET C 1 95 ? 16.228 41.708 20.741 1.00 109.92 ? 974 MET C N 1 ATOM 3806 C CA . MET C 1 95 ? 15.060 41.516 21.562 1.00 113.56 ? 974 MET C CA 1 ATOM 3807 C C . MET C 1 95 ? 14.984 40.038 21.904 1.00 114.64 ? 974 MET C C 1 ATOM 3808 O O . MET C 1 95 ? 15.600 39.220 21.220 1.00 110.35 ? 974 MET C O 1 ATOM 3809 C CB . MET C 1 95 ? 13.806 41.972 20.847 1.00 118.71 ? 974 MET C CB 1 ATOM 3810 C CG . MET C 1 95 ? 13.038 42.947 21.717 1.00 128.91 ? 974 MET C CG 1 ATOM 3811 S SD . MET C 1 95 ? 11.235 42.938 21.581 1.00 137.34 ? 974 MET C SD 1 ATOM 3812 C CE . MET C 1 95 ? 10.822 41.327 22.364 1.00 130.56 ? 974 MET C CE 1 ATOM 3813 N N . THR C 1 96 ? 14.349 39.695 23.010 1.00 114.21 ? 975 THR C N 1 ATOM 3814 C CA . THR C 1 96 ? 14.289 38.304 23.413 1.00 111.10 ? 975 THR C CA 1 ATOM 3815 C C . THR C 1 96 ? 13.090 37.586 22.855 1.00 113.29 ? 975 THR C C 1 ATOM 3816 O O . THR C 1 96 ? 11.958 38.086 22.916 1.00 116.93 ? 975 THR C O 1 ATOM 3817 C CB . THR C 1 96 ? 14.397 38.152 24.932 1.00 122.20 ? 975 THR C CB 1 ATOM 3818 O OG1 . THR C 1 96 ? 13.337 38.894 25.542 1.00 125.19 ? 975 THR C OG1 1 ATOM 3819 C CG2 . THR C 1 96 ? 15.760 38.597 25.474 1.00 122.61 ? 975 THR C CG2 1 ATOM 3820 N N . ALA C 1 97 ? 13.354 36.390 22.322 1.00 104.23 ? 976 ALA C N 1 ATOM 3821 C CA . ALA C 1 97 ? 12.339 35.469 21.834 1.00 102.02 ? 976 ALA C CA 1 ATOM 3822 C C . ALA C 1 97 ? 12.191 34.402 22.904 1.00 104.81 ? 976 ALA C C 1 ATOM 3823 O O . ALA C 1 97 ? 13.153 34.103 23.609 1.00 103.58 ? 976 ALA C O 1 ATOM 3824 C CB . ALA C 1 97 ? 12.778 34.837 20.532 1.00 99.54 ? 976 ALA C CB 1 ATOM 3825 N N . HIS C 1 98 ? 10.977 33.889 23.082 1.00 102.33 ? 977 HIS C N 1 ATOM 3826 C CA . HIS C 1 98 ? 10.692 32.850 24.067 1.00 100.88 ? 977 HIS C CA 1 ATOM 3827 C C . HIS C 1 98 ? 10.140 31.636 23.377 1.00 98.08 ? 977 HIS C C 1 ATOM 3828 O O . HIS C 1 98 ? 9.397 31.747 22.385 1.00 97.19 ? 977 HIS C O 1 ATOM 3829 C CB . HIS C 1 98 ? 9.718 33.334 25.118 1.00 106.56 ? 977 HIS C CB 1 ATOM 3830 C CG . HIS C 1 98 ? 10.306 34.380 25.992 1.00 114.50 ? 977 HIS C CG 1 ATOM 3831 N ND1 . HIS C 1 98 ? 10.304 35.709 25.616 1.00 120.18 ? 977 HIS C ND1 1 ATOM 3832 C CD2 . HIS C 1 98 ? 10.905 34.263 27.199 1.00 118.19 ? 977 HIS C CD2 1 ATOM 3833 C CE1 . HIS C 1 98 ? 10.889 36.361 26.606 1.00 122.97 ? 977 HIS C CE1 1 ATOM 3834 N NE2 . HIS C 1 98 ? 11.261 35.532 27.585 1.00 122.36 ? 977 HIS C NE2 1 ATOM 3835 N N . GLY C 1 99 ? 10.549 30.484 23.895 1.00 89.12 ? 978 GLY C N 1 ATOM 3836 C CA . GLY C 1 99 ? 10.153 29.196 23.360 1.00 84.79 ? 978 GLY C CA 1 ATOM 3837 C C . GLY C 1 99 ? 10.243 28.121 24.406 1.00 82.43 ? 978 GLY C C 1 ATOM 3838 O O . GLY C 1 99 ? 11.262 28.008 25.105 1.00 80.86 ? 978 GLY C O 1 ATOM 3839 N N . ALA C 1 100 ? 9.147 27.364 24.543 1.00 76.99 ? 979 ALA C N 1 ATOM 3840 C CA . ALA C 1 100 ? 9.057 26.251 25.476 1.00 75.49 ? 979 ALA C CA 1 ATOM 3841 C C . ALA C 1 100 ? 9.078 24.959 24.684 1.00 78.59 ? 979 ALA C C 1 ATOM 3842 O O . ALA C 1 100 ? 8.311 24.808 23.725 1.00 79.82 ? 979 ALA C O 1 ATOM 3843 C CB . ALA C 1 100 ? 7.809 26.355 26.326 1.00 77.70 ? 979 ALA C CB 1 ATOM 3844 N N . THR C 1 101 ? 10.003 24.048 25.039 1.00 72.69 ? 980 THR C N 1 ATOM 3845 C CA . THR C 1 101 ? 10.118 22.749 24.382 1.00 71.62 ? 980 THR C CA 1 ATOM 3846 C C . THR C 1 101 ? 8.879 21.905 24.694 1.00 76.34 ? 980 THR C C 1 ATOM 3847 O O . THR C 1 101 ? 8.235 22.086 25.747 1.00 78.38 ? 980 THR C O 1 ATOM 3848 C CB . THR C 1 101 ? 11.353 22.010 24.863 1.00 75.49 ? 980 THR C CB 1 ATOM 3849 O OG1 . THR C 1 101 ? 11.378 22.024 26.299 1.00 74.87 ? 980 THR C OG1 1 ATOM 3850 C CG2 . THR C 1 101 ? 12.624 22.554 24.269 1.00 69.53 ? 980 THR C CG2 1 ATOM 3851 N N . PHE C 1 102 ? 8.575 20.960 23.800 1.00 69.21 ? 981 PHE C N 1 ATOM 3852 C CA . PHE C 1 102 ? 7.443 20.067 23.985 1.00 68.15 ? 981 PHE C CA 1 ATOM 3853 C C . PHE C 1 102 ? 7.654 19.163 25.206 1.00 72.00 ? 981 PHE C C 1 ATOM 3854 O O . PHE C 1 102 ? 8.781 19.031 25.689 1.00 70.58 ? 981 PHE C O 1 ATOM 3855 C CB . PHE C 1 102 ? 7.224 19.192 22.720 1.00 69.14 ? 981 PHE C CB 1 ATOM 3856 C CG . PHE C 1 102 ? 6.866 19.921 21.445 1.00 70.40 ? 981 PHE C CG 1 ATOM 3857 C CD1 . PHE C 1 102 ? 6.253 21.168 21.486 1.00 73.82 ? 981 PHE C CD1 1 ATOM 3858 C CD2 . PHE C 1 102 ? 7.077 19.326 20.200 1.00 72.58 ? 981 PHE C CD2 1 ATOM 3859 C CE1 . PHE C 1 102 ? 5.879 21.814 20.307 1.00 77.64 ? 981 PHE C CE1 1 ATOM 3860 C CE2 . PHE C 1 102 ? 6.710 19.977 19.020 1.00 77.20 ? 981 PHE C CE2 1 ATOM 3861 C CZ . PHE C 1 102 ? 6.119 21.216 19.077 1.00 76.93 ? 981 PHE C CZ 1 ATOM 3862 N N . GLU C 1 103 ? 6.553 18.551 25.713 1.00 68.99 ? 982 GLU C N 1 ATOM 3863 C CA . GLU C 1 103 ? 6.654 17.576 26.787 1.00 67.64 ? 982 GLU C CA 1 ATOM 3864 C C . GLU C 1 103 ? 7.230 16.317 26.137 1.00 73.44 ? 982 GLU C C 1 ATOM 3865 O O . GLU C 1 103 ? 7.310 16.200 24.899 1.00 73.23 ? 982 GLU C O 1 ATOM 3866 C CB . GLU C 1 103 ? 5.272 17.253 27.429 1.00 70.01 ? 982 GLU C CB 1 ATOM 3867 C CG . GLU C 1 103 ? 4.659 18.359 28.259 1.00 76.16 ? 982 GLU C CG 1 ATOM 3868 C CD . GLU C 1 103 ? 3.472 17.951 29.117 1.00 112.53 ? 982 GLU C CD 1 ATOM 3869 O OE1 . GLU C 1 103 ? 3.022 16.792 28.996 1.00 103.29 ? 982 GLU C OE1 1 ATOM 3870 O OE2 . GLU C 1 103 ? 3.022 18.770 29.953 1.00 120.91 ? 982 GLU C OE2 1 ATOM 3871 N N . LEU C 1 104 ? 7.622 15.374 26.981 1.00 63.67 ? 983 LEU C N 1 ATOM 3872 C CA . LEU C 1 104 ? 8.138 14.085 26.574 1.00 64.48 ? 983 LEU C CA 1 ATOM 3873 C C . LEU C 1 104 ? 7.620 13.142 27.647 1.00 72.11 ? 983 LEU C C 1 ATOM 3874 O O . LEU C 1 104 ? 7.324 13.595 28.755 1.00 72.68 ? 983 LEU C O 1 ATOM 3875 C CB . LEU C 1 104 ? 9.692 14.140 26.564 1.00 65.92 ? 983 LEU C CB 1 ATOM 3876 C CG . LEU C 1 104 ? 10.448 12.854 26.199 1.00 70.63 ? 983 LEU C CG 1 ATOM 3877 C CD1 . LEU C 1 104 ? 10.443 12.592 24.710 1.00 67.66 ? 983 LEU C CD1 1 ATOM 3878 C CD2 . LEU C 1 104 ? 11.863 12.885 26.742 1.00 77.92 ? 983 LEU C CD2 1 ATOM 3879 N N . VAL C 1 105 ? 7.492 11.849 27.332 1.00 70.41 ? 984 VAL C N 1 ATOM 3880 C CA . VAL C 1 105 ? 7.107 10.830 28.308 1.00 70.13 ? 984 VAL C CA 1 ATOM 3881 C C . VAL C 1 105 ? 8.091 10.876 29.497 1.00 75.01 ? 984 VAL C C 1 ATOM 3882 O O . VAL C 1 105 ? 9.278 11.203 29.312 1.00 74.98 ? 984 VAL C O 1 ATOM 3883 C CB . VAL C 1 105 ? 7.096 9.402 27.697 1.00 74.38 ? 984 VAL C CB 1 ATOM 3884 C CG1 . VAL C 1 105 ? 5.872 9.179 26.813 1.00 73.19 ? 984 VAL C CG1 1 ATOM 3885 C CG2 . VAL C 1 105 ? 8.405 9.074 26.973 1.00 75.90 ? 984 VAL C CG2 1 ATOM 3886 N N . PRO C 1 106 ? 7.642 10.533 30.715 1.00 72.14 ? 985 PRO C N 1 ATOM 3887 C CA . PRO C 1 106 ? 8.589 10.491 31.841 1.00 72.52 ? 985 PRO C CA 1 ATOM 3888 C C . PRO C 1 106 ? 9.774 9.577 31.496 1.00 77.16 ? 985 PRO C C 1 ATOM 3889 O O . PRO C 1 106 ? 9.593 8.586 30.789 1.00 77.59 ? 985 PRO C O 1 ATOM 3890 C CB . PRO C 1 106 ? 7.743 9.936 32.981 1.00 73.92 ? 985 PRO C CB 1 ATOM 3891 C CG . PRO C 1 106 ? 6.327 10.243 32.616 1.00 76.81 ? 985 PRO C CG 1 ATOM 3892 C CD . PRO C 1 106 ? 6.289 10.104 31.130 1.00 73.00 ? 985 PRO C CD 1 ATOM 3893 N N . THR C 1 107 ? 10.996 9.958 31.884 1.00 74.12 ? 986 THR C N 1 ATOM 3894 C CA . THR C 1 107 ? 12.168 9.135 31.561 1.00 75.56 ? 986 THR C CA 1 ATOM 3895 C C . THR C 1 107 ? 12.812 8.581 32.806 1.00 82.30 ? 986 THR C C 1 ATOM 3896 O O . THR C 1 107 ? 13.926 8.060 32.753 1.00 87.47 ? 986 THR C O 1 ATOM 3897 C CB . THR C 1 107 ? 13.147 9.867 30.626 1.00 82.26 ? 986 THR C CB 1 ATOM 3898 O OG1 . THR C 1 107 ? 13.525 11.103 31.212 1.00 76.58 ? 986 THR C OG1 1 ATOM 3899 C CG2 . THR C 1 107 ? 12.562 10.105 29.237 1.00 82.90 ? 986 THR C CG2 1 ATOM 3900 N N . SER C 1 108 ? 12.102 8.679 33.931 1.00 76.98 ? 987 SER C N 1 ATOM 3901 C CA . SER C 1 108 ? 12.546 8.213 35.237 1.00 79.18 ? 987 SER C CA 1 ATOM 3902 C C . SER C 1 108 ? 11.343 7.633 36.000 1.00 83.75 ? 987 SER C C 1 ATOM 3903 O O . SER C 1 108 ? 10.198 8.016 35.694 1.00 81.49 ? 987 SER C O 1 ATOM 3904 C CB . SER C 1 108 ? 13.264 9.334 35.992 1.00 82.65 ? 987 SER C CB 1 ATOM 3905 O OG . SER C 1 108 ? 12.557 9.934 37.066 1.00 88.35 ? 987 SER C OG 1 ATOM 3906 N N . PRO C 1 109 ? 11.540 6.657 36.928 1.00 82.78 ? 988 PRO C N 1 ATOM 3907 C CA . PRO C 1 109 ? 10.374 6.081 37.626 1.00 82.77 ? 988 PRO C CA 1 ATOM 3908 C C . PRO C 1 109 ? 9.903 6.921 38.804 1.00 88.58 ? 988 PRO C C 1 ATOM 3909 O O . PRO C 1 109 ? 10.718 7.696 39.347 1.00 90.29 ? 988 PRO C O 1 ATOM 3910 C CB . PRO C 1 109 ? 10.901 4.730 38.136 1.00 86.89 ? 988 PRO C CB 1 ATOM 3911 C CG . PRO C 1 109 ? 12.323 4.908 38.268 1.00 92.37 ? 988 PRO C CG 1 ATOM 3912 C CD . PRO C 1 109 ? 12.793 6.043 37.402 1.00 86.04 ? 988 PRO C CD 1 ATOM 3913 N N . PRO C 1 110 ? 8.652 6.709 39.298 1.00 83.94 ? 989 PRO C N 1 ATOM 3914 C CA . PRO C 1 110 ? 8.259 7.380 40.545 1.00 85.14 ? 989 PRO C CA 1 ATOM 3915 C C . PRO C 1 110 ? 9.259 6.958 41.639 1.00 91.94 ? 989 PRO C C 1 ATOM 3916 O O . PRO C 1 110 ? 9.636 5.777 41.737 1.00 91.18 ? 989 PRO C O 1 ATOM 3917 C CB . PRO C 1 110 ? 6.843 6.840 40.830 1.00 85.62 ? 989 PRO C CB 1 ATOM 3918 C CG . PRO C 1 110 ? 6.361 6.318 39.542 1.00 88.54 ? 989 PRO C CG 1 ATOM 3919 C CD . PRO C 1 110 ? 7.588 5.798 38.831 1.00 84.33 ? 989 PRO C CD 1 ATOM 3920 N N . LYS C 1 111 ? 9.753 7.949 42.378 1.00 90.34 ? 990 LYS C N 1 ATOM 3921 C CA . LYS C 1 111 ? 10.730 7.811 43.446 1.00 94.31 ? 990 LYS C CA 1 ATOM 3922 C C . LYS C 1 111 ? 10.082 7.337 44.769 1.00 103.59 ? 990 LYS C C 1 ATOM 3923 O O . LYS C 1 111 ? 8.868 7.463 44.955 1.00 101.34 ? 990 LYS C O 1 ATOM 3924 C CB . LYS C 1 111 ? 11.379 9.190 43.705 1.00 95.84 ? 990 LYS C CB 1 ATOM 3925 C CG . LYS C 1 111 ? 12.333 9.694 42.651 1.00 94.36 ? 990 LYS C CG 1 ATOM 3926 C CD . LYS C 1 111 ? 12.539 11.202 42.773 1.00 101.89 ? 990 LYS C CD 1 ATOM 3927 C CE . LYS C 1 111 ? 13.616 11.619 43.744 1.00 124.31 ? 990 LYS C CE 1 ATOM 3928 N NZ . LYS C 1 111 ? 14.984 11.279 43.265 1.00 146.17 ? 990 LYS C NZ 1 ATOM 3929 N N . ASP C 1 112 ? 10.932 6.848 45.697 1.00 106.31 ? 991 ASP C N 1 ATOM 3930 C CA . ASP C 1 112 ? 10.644 6.481 47.074 1.00 111.24 ? 991 ASP C CA 1 ATOM 3931 C C . ASP C 1 112 ? 9.372 5.662 47.326 1.00 113.31 ? 991 ASP C C 1 ATOM 3932 O O . ASP C 1 112 ? 8.629 5.931 48.286 1.00 115.12 ? 991 ASP C O 1 ATOM 3933 C CB . ASP C 1 112 ? 10.746 7.736 47.986 1.00 117.08 ? 991 ASP C CB 1 ATOM 3934 C CG . ASP C 1 112 ? 11.911 8.694 47.697 1.00 132.57 ? 991 ASP C CG 1 ATOM 3935 O OD1 . ASP C 1 112 ? 13.084 8.224 47.649 1.00 135.34 ? 991 ASP C OD1 1 ATOM 3936 O OD2 . ASP C 1 112 ? 11.657 9.915 47.565 1.00 138.38 ? 991 ASP C OD2 1 ATOM 3937 N N . VAL C 1 113 ? 9.159 4.623 46.501 1.00 107.16 ? 992 VAL C N 1 ATOM 3938 C CA . VAL C 1 113 ? 7.999 3.726 46.639 1.00 107.21 ? 992 VAL C CA 1 ATOM 3939 C C . VAL C 1 113 ? 8.080 2.913 47.940 1.00 115.88 ? 992 VAL C C 1 ATOM 3940 O O . VAL C 1 113 ? 9.117 2.312 48.211 1.00 118.44 ? 992 VAL C O 1 ATOM 3941 C CB . VAL C 1 113 ? 7.811 2.795 45.408 1.00 108.88 ? 992 VAL C CB 1 ATOM 3942 C CG1 . VAL C 1 113 ? 6.579 1.890 45.563 1.00 108.01 ? 992 VAL C CG1 1 ATOM 3943 C CG2 . VAL C 1 113 ? 7.741 3.597 44.105 1.00 104.21 ? 992 VAL C CG2 1 ATOM 3944 N N . THR C 1 114 ? 6.990 2.921 48.743 1.00 114.49 ? 993 THR C N 1 ATOM 3945 C CA . THR C 1 114 ? 6.848 2.181 50.016 1.00 120.55 ? 993 THR C CA 1 ATOM 3946 C C . THR C 1 114 ? 5.446 1.565 50.136 1.00 124.77 ? 993 THR C C 1 ATOM 3947 O O . THR C 1 114 ? 4.490 2.118 49.587 1.00 120.87 ? 993 THR C O 1 ATOM 3948 C CB . THR C 1 114 ? 7.144 3.071 51.246 1.00 131.19 ? 993 THR C CB 1 ATOM 3949 O OG1 . THR C 1 114 ? 6.208 4.150 51.317 1.00 128.02 ? 993 THR C OG1 1 ATOM 3950 C CG2 . THR C 1 114 ? 8.587 3.590 51.288 1.00 130.90 ? 993 THR C CG2 1 ATOM 3951 N N . VAL C 1 115 ? 5.331 0.426 50.855 1.00 125.48 ? 994 VAL C N 1 ATOM 3952 C CA . VAL C 1 115 ? 4.072 -0.300 51.109 1.00 125.68 ? 994 VAL C CA 1 ATOM 3953 C C . VAL C 1 115 ? 3.927 -0.600 52.617 1.00 137.85 ? 994 VAL C C 1 ATOM 3954 O O . VAL C 1 115 ? 4.850 -1.126 53.253 1.00 142.97 ? 994 VAL C O 1 ATOM 3955 C CB . VAL C 1 115 ? 3.909 -1.601 50.262 1.00 127.74 ? 994 VAL C CB 1 ATOM 3956 C CG1 . VAL C 1 115 ? 2.523 -2.215 50.445 1.00 127.44 ? 994 VAL C CG1 1 ATOM 3957 C CG2 . VAL C 1 115 ? 4.191 -1.351 48.785 1.00 122.05 ? 994 VAL C CG2 1 ATOM 3958 N N . VAL C 1 116 ? 2.766 -0.257 53.179 1.00 134.70 ? 995 VAL C N 1 ATOM 3959 C CA . VAL C 1 116 ? 2.435 -0.494 54.585 1.00 140.59 ? 995 VAL C CA 1 ATOM 3960 C C . VAL C 1 116 ? 1.050 -1.137 54.654 1.00 144.86 ? 995 VAL C C 1 ATOM 3961 O O . VAL C 1 116 ? 0.254 -0.976 53.726 1.00 140.48 ? 995 VAL C O 1 ATOM 3962 C CB . VAL C 1 116 ? 2.521 0.798 55.467 1.00 146.99 ? 995 VAL C CB 1 ATOM 3963 C CG1 . VAL C 1 116 ? 3.941 1.353 55.524 1.00 148.00 ? 995 VAL C CG1 1 ATOM 3964 C CG2 . VAL C 1 116 ? 1.541 1.881 55.012 1.00 142.78 ? 995 VAL C CG2 1 ATOM 3965 N N . SER C 1 117 ? 0.751 -1.843 55.749 1.00 146.76 ? 996 SER C N 1 ATOM 3966 C CA . SER C 1 117 ? -0.581 -2.408 55.936 1.00 147.24 ? 996 SER C CA 1 ATOM 3967 C C . SER C 1 117 ? -1.439 -1.313 56.561 1.00 150.44 ? 996 SER C C 1 ATOM 3968 O O . SER C 1 117 ? -0.945 -0.541 57.394 1.00 152.73 ? 996 SER C O 1 ATOM 3969 C CB . SER C 1 117 ? -0.541 -3.648 56.828 1.00 158.30 ? 996 SER C CB 1 ATOM 3970 O OG . SER C 1 117 ? -0.917 -4.813 56.108 1.00 167.42 ? 996 SER C OG 1 ATOM 3971 N N . LYS C 1 118 ? -2.696 -1.200 56.099 1.00 143.47 ? 997 LYS C N 1 ATOM 3972 C CA . LYS C 1 118 ? -3.648 -0.226 56.624 1.00 143.98 ? 997 LYS C CA 1 ATOM 3973 C C . LYS C 1 118 ? -4.030 -0.624 58.076 1.00 155.69 ? 997 LYS C C 1 ATOM 3974 O O . LYS C 1 118 ? -4.207 -1.817 58.373 1.00 157.59 ? 997 LYS C O 1 ATOM 3975 C CB . LYS C 1 118 ? -4.886 -0.125 55.708 1.00 141.02 ? 997 LYS C CB 1 ATOM 3976 C CG . LYS C 1 118 ? -5.788 1.063 56.013 1.00 142.91 ? 997 LYS C CG 1 ATOM 3977 C CD . LYS C 1 118 ? -7.172 0.870 55.418 1.00 144.12 ? 997 LYS C CD 1 ATOM 3978 C CE . LYS C 1 118 ? -8.092 2.035 55.684 1.00 146.52 ? 997 LYS C CE 1 ATOM 3979 N NZ . LYS C 1 118 ? -9.308 1.969 54.833 1.00 145.14 ? 997 LYS C NZ 1 ATOM 3980 N N . GLU C 1 119 ? -4.112 0.383 58.968 1.00 155.86 ? 998 GLU C N 1 ATOM 3981 C CA . GLU C 1 119 ? -4.454 0.235 60.382 1.00 162.96 ? 998 GLU C CA 1 ATOM 3982 C C . GLU C 1 119 ? -5.774 -0.544 60.559 1.00 168.48 ? 998 GLU C C 1 ATOM 3983 O O . GLU C 1 119 ? -6.817 -0.123 60.042 1.00 165.99 ? 998 GLU C O 1 ATOM 3984 C CB . GLU C 1 119 ? -4.530 1.622 61.057 1.00 166.97 ? 998 GLU C CB 1 ATOM 3985 C CG . GLU C 1 119 ? -4.223 1.624 62.545 1.00 184.38 ? 998 GLU C CG 1 ATOM 3986 C CD . GLU C 1 119 ? -2.785 1.303 62.896 1.00 201.81 ? 998 GLU C CD 1 ATOM 3987 O OE1 . GLU C 1 119 ? -1.903 2.145 62.613 1.00 197.63 ? 998 GLU C OE1 1 ATOM 3988 O OE2 . GLU C 1 119 ? -2.543 0.215 63.467 1.00 183.94 ? 998 GLU C OE2 1 ATOM 3989 N N . GLY C 1 120 ? -5.680 -1.701 61.226 1.00 168.11 ? 999 GLY C N 1 ATOM 3990 C CA . GLY C 1 120 ? -6.798 -2.600 61.504 1.00 169.83 ? 999 GLY C CA 1 ATOM 3991 C C . GLY C 1 120 ? -7.424 -3.305 60.311 1.00 166.02 ? 999 GLY C C 1 ATOM 3992 O O . GLY C 1 120 ? -8.490 -3.912 60.453 1.00 167.48 ? 999 GLY C O 1 ATOM 3993 N N . LYS C 1 121 ? -6.787 -3.221 59.125 1.00 155.04 ? 1000 LYS C N 1 ATOM 3994 C CA . LYS C 1 121 ? -7.273 -3.848 57.892 1.00 149.12 ? 1000 LYS C CA 1 ATOM 3995 C C . LYS C 1 121 ? -6.141 -4.671 57.252 1.00 151.35 ? 1000 LYS C C 1 ATOM 3996 O O . LYS C 1 121 ? -5.368 -4.139 56.461 1.00 144.67 ? 1000 LYS C O 1 ATOM 3997 C CB . LYS C 1 121 ? -7.864 -2.806 56.911 1.00 143.99 ? 1000 LYS C CB 1 ATOM 3998 C CG . LYS C 1 121 ? -9.154 -2.116 57.371 1.00 149.17 ? 1000 LYS C CG 1 ATOM 3999 C CD . LYS C 1 121 ? -10.393 -3.027 57.334 1.00 157.73 ? 1000 LYS C CD 1 ATOM 4000 C CE . LYS C 1 121 ? -11.641 -2.344 57.846 1.00 167.94 ? 1000 LYS C CE 1 ATOM 4001 N NZ . LYS C 1 121 ? -12.742 -3.312 58.127 1.00 173.31 ? 1000 LYS C NZ 1 ATOM 4002 N N . PRO C 1 122 ? -5.997 -5.963 57.629 1.00 154.36 ? 1001 PRO C N 1 ATOM 4003 C CA . PRO C 1 122 ? -4.883 -6.772 57.092 1.00 153.61 ? 1001 PRO C CA 1 ATOM 4004 C C . PRO C 1 122 ? -4.921 -7.051 55.586 1.00 151.77 ? 1001 PRO C C 1 ATOM 4005 O O . PRO C 1 122 ? -3.861 -7.130 54.945 1.00 148.85 ? 1001 PRO C O 1 ATOM 4006 C CB . PRO C 1 122 ? -4.948 -8.060 57.925 1.00 162.00 ? 1001 PRO C CB 1 ATOM 4007 C CG . PRO C 1 122 ? -6.325 -8.137 58.425 1.00 168.81 ? 1001 PRO C CG 1 ATOM 4008 C CD . PRO C 1 122 ? -6.793 -6.730 58.613 1.00 162.50 ? 1001 PRO C CD 1 ATOM 4009 N N . ARG C 1 123 ? -6.138 -7.182 55.020 1.00 146.33 ? 1002 ARG C N 1 ATOM 4010 C CA . ARG C 1 123 ? -6.371 -7.439 53.587 1.00 140.65 ? 1002 ARG C CA 1 ATOM 4011 C C . ARG C 1 123 ? -6.182 -6.172 52.720 1.00 138.69 ? 1002 ARG C C 1 ATOM 4012 O O . ARG C 1 123 ? -6.234 -6.244 51.486 1.00 133.74 ? 1002 ARG C O 1 ATOM 4013 C CB . ARG C 1 123 ? -7.769 -8.062 53.359 1.00 140.99 ? 1002 ARG C CB 1 ATOM 4014 C CG . ARG C 1 123 ? -7.932 -9.469 53.938 1.00 143.36 ? 1002 ARG C CG 1 ATOM 4015 C CD . ARG C 1 123 ? -9.129 -10.199 53.378 1.00 140.21 ? 1002 ARG C CD 1 ATOM 4016 N NE . ARG C 1 123 ? -8.832 -10.680 52.035 1.00 153.51 ? 1002 ARG C NE 1 ATOM 4017 C CZ . ARG C 1 123 ? -9.708 -10.771 51.045 1.00 175.58 ? 1002 ARG C CZ 1 ATOM 4018 N NH1 . ARG C 1 123 ? -10.981 -10.458 51.244 1.00 166.54 ? 1002 ARG C NH1 1 ATOM 4019 N NH2 . ARG C 1 123 ? -9.317 -11.179 49.846 1.00 165.83 ? 1002 ARG C NH2 1 ATOM 4020 N N . THR C 1 124 ? -5.939 -5.022 53.382 1.00 135.36 ? 1003 THR C N 1 ATOM 4021 C CA . THR C 1 124 ? -5.719 -3.708 52.773 1.00 129.69 ? 1003 THR C CA 1 ATOM 4022 C C . THR C 1 124 ? -4.274 -3.236 52.995 1.00 129.99 ? 1003 THR C C 1 ATOM 4023 O O . THR C 1 124 ? -3.725 -3.367 54.090 1.00 132.53 ? 1003 THR C O 1 ATOM 4024 C CB . THR C 1 124 ? -6.722 -2.679 53.338 1.00 140.07 ? 1003 THR C CB 1 ATOM 4025 O OG1 . THR C 1 124 ? -8.013 -3.272 53.477 1.00 144.71 ? 1003 THR C OG1 1 ATOM 4026 C CG2 . THR C 1 124 ? -6.839 -1.452 52.488 1.00 133.09 ? 1003 THR C CG2 1 ATOM 4027 N N . ILE C 1 125 ? -3.676 -2.682 51.933 1.00 122.02 ? 1004 ILE C N 1 ATOM 4028 C CA . ILE C 1 125 ? -2.327 -2.101 51.934 1.00 121.52 ? 1004 ILE C CA 1 ATOM 4029 C C . ILE C 1 125 ? -2.365 -0.659 51.403 1.00 121.04 ? 1004 ILE C C 1 ATOM 4030 O O . ILE C 1 125 ? -3.261 -0.310 50.622 1.00 117.07 ? 1004 ILE C O 1 ATOM 4031 C CB . ILE C 1 125 ? -1.237 -2.968 51.203 1.00 123.46 ? 1004 ILE C CB 1 ATOM 4032 C CG1 . ILE C 1 125 ? -1.443 -3.039 49.671 1.00 118.35 ? 1004 ILE C CG1 1 ATOM 4033 C CG2 . ILE C 1 125 ? -1.064 -4.359 51.825 1.00 128.58 ? 1004 ILE C CG2 1 ATOM 4034 C CD1 . ILE C 1 125 ? -0.805 -1.985 48.905 1.00 119.07 ? 1004 ILE C CD1 1 ATOM 4035 N N . ILE C 1 126 ? -1.360 0.152 51.788 1.00 117.31 ? 1005 ILE C N 1 ATOM 4036 C CA . ILE C 1 126 ? -1.210 1.532 51.324 1.00 113.56 ? 1005 ILE C CA 1 ATOM 4037 C C . ILE C 1 126 ? 0.129 1.723 50.594 1.00 115.53 ? 1005 ILE C C 1 ATOM 4038 O O . ILE C 1 126 ? 1.201 1.490 51.172 1.00 118.36 ? 1005 ILE C O 1 ATOM 4039 C CB . ILE C 1 126 ? -1.402 2.584 52.444 1.00 119.67 ? 1005 ILE C CB 1 ATOM 4040 C CG1 . ILE C 1 126 ? -2.701 2.352 53.214 1.00 123.32 ? 1005 ILE C CG1 1 ATOM 4041 C CG2 . ILE C 1 126 ? -1.348 3.997 51.868 1.00 116.78 ? 1005 ILE C CG2 1 ATOM 4042 C CD1 . ILE C 1 126 ? -2.578 2.697 54.638 1.00 141.36 ? 1005 ILE C CD1 1 ATOM 4043 N N . VAL C 1 127 ? 0.055 2.175 49.327 1.00 106.32 ? 1006 VAL C N 1 ATOM 4044 C CA . VAL C 1 127 ? 1.230 2.458 48.514 1.00 103.50 ? 1006 VAL C CA 1 ATOM 4045 C C . VAL C 1 127 ? 1.508 3.957 48.620 1.00 107.04 ? 1006 VAL C C 1 ATOM 4046 O O . VAL C 1 127 ? 0.573 4.763 48.585 1.00 106.39 ? 1006 VAL C O 1 ATOM 4047 C CB . VAL C 1 127 ? 1.083 1.992 47.051 1.00 103.19 ? 1006 VAL C CB 1 ATOM 4048 C CG1 . VAL C 1 127 ? 2.420 2.045 46.332 1.00 102.10 ? 1006 VAL C CG1 1 ATOM 4049 C CG2 . VAL C 1 127 ? 0.515 0.585 46.969 1.00 103.64 ? 1006 VAL C CG2 1 ATOM 4050 N N . ASN C 1 128 ? 2.787 4.315 48.808 1.00 103.95 ? 1007 ASN C N 1 ATOM 4051 C CA . ASN C 1 128 ? 3.239 5.701 48.924 1.00 103.79 ? 1007 ASN C CA 1 ATOM 4052 C C . ASN C 1 128 ? 4.480 5.899 48.074 1.00 105.89 ? 1007 ASN C C 1 ATOM 4053 O O . ASN C 1 128 ? 5.372 5.045 48.082 1.00 110.43 ? 1007 ASN C O 1 ATOM 4054 C CB . ASN C 1 128 ? 3.523 6.050 50.370 1.00 109.23 ? 1007 ASN C CB 1 ATOM 4055 C CG . ASN C 1 128 ? 2.277 6.130 51.205 1.00 134.98 ? 1007 ASN C CG 1 ATOM 4056 O OD1 . ASN C 1 128 ? 1.456 7.021 51.013 1.00 126.71 ? 1007 ASN C OD1 1 ATOM 4057 N ND2 . ASN C 1 128 ? 2.115 5.195 52.150 1.00 130.94 ? 1007 ASN C ND2 1 ATOM 4058 N N . TRP C 1 129 ? 4.540 7.016 47.337 1.00 93.93 ? 1008 TRP C N 1 ATOM 4059 C CA . TRP C 1 129 ? 5.645 7.310 46.432 1.00 89.47 ? 1008 TRP C CA 1 ATOM 4060 C C . TRP C 1 129 ? 5.815 8.823 46.226 1.00 91.35 ? 1008 TRP C C 1 ATOM 4061 O O . TRP C 1 129 ? 5.040 9.617 46.755 1.00 90.11 ? 1008 TRP C O 1 ATOM 4062 C CB . TRP C 1 129 ? 5.407 6.590 45.075 1.00 82.96 ? 1008 TRP C CB 1 ATOM 4063 C CG . TRP C 1 129 ? 4.189 7.066 44.328 1.00 78.97 ? 1008 TRP C CG 1 ATOM 4064 C CD1 . TRP C 1 129 ? 4.135 8.069 43.406 1.00 78.70 ? 1008 TRP C CD1 1 ATOM 4065 C CD2 . TRP C 1 129 ? 2.837 6.598 44.495 1.00 78.00 ? 1008 TRP C CD2 1 ATOM 4066 N NE1 . TRP C 1 129 ? 2.844 8.239 42.966 1.00 75.72 ? 1008 TRP C NE1 1 ATOM 4067 C CE2 . TRP C 1 129 ? 2.025 7.355 43.621 1.00 77.85 ? 1008 TRP C CE2 1 ATOM 4068 C CE3 . TRP C 1 129 ? 2.220 5.634 45.339 1.00 80.85 ? 1008 TRP C CE3 1 ATOM 4069 C CZ2 . TRP C 1 129 ? 0.639 7.167 43.540 1.00 75.88 ? 1008 TRP C CZ2 1 ATOM 4070 C CZ3 . TRP C 1 129 ? 0.857 5.416 45.215 1.00 80.40 ? 1008 TRP C CZ3 1 ATOM 4071 C CH2 . TRP C 1 129 ? 0.082 6.181 44.330 1.00 77.76 ? 1008 TRP C CH2 1 ATOM 4072 N N . GLN C 1 130 ? 6.832 9.206 45.421 1.00 87.82 ? 1009 GLN C N 1 ATOM 4073 C CA . GLN C 1 130 ? 7.163 10.587 45.058 1.00 86.72 ? 1009 GLN C CA 1 ATOM 4074 C C . GLN C 1 130 ? 7.165 10.750 43.539 1.00 85.38 ? 1009 GLN C C 1 ATOM 4075 O O . GLN C 1 130 ? 7.390 9.764 42.841 1.00 83.25 ? 1009 GLN C O 1 ATOM 4076 C CB . GLN C 1 130 ? 8.520 10.963 45.641 1.00 92.00 ? 1009 GLN C CB 1 ATOM 4077 C CG . GLN C 1 130 ? 8.459 11.310 47.124 1.00 104.29 ? 1009 GLN C CG 1 ATOM 4078 C CD . GLN C 1 130 ? 7.685 12.579 47.368 1.00 107.44 ? 1009 GLN C CD 1 ATOM 4079 O OE1 . GLN C 1 130 ? 7.935 13.645 46.754 1.00 102.98 ? 1009 GLN C OE1 1 ATOM 4080 N NE2 . GLN C 1 130 ? 6.731 12.478 48.276 1.00 80.50 ? 1009 GLN C NE2 1 ATOM 4081 N N . PRO C 1 131 ? 6.936 11.959 42.980 1.00 80.28 ? 1010 PRO C N 1 ATOM 4082 C CA . PRO C 1 131 ? 6.936 12.091 41.513 1.00 76.11 ? 1010 PRO C CA 1 ATOM 4083 C C . PRO C 1 131 ? 8.298 11.788 40.902 1.00 85.25 ? 1010 PRO C C 1 ATOM 4084 O O . PRO C 1 131 ? 9.313 11.992 41.563 1.00 89.44 ? 1010 PRO C O 1 ATOM 4085 C CB . PRO C 1 131 ? 6.542 13.550 41.271 1.00 76.90 ? 1010 PRO C CB 1 ATOM 4086 C CG . PRO C 1 131 ? 5.986 14.031 42.521 1.00 84.59 ? 1010 PRO C CG 1 ATOM 4087 C CD . PRO C 1 131 ? 6.653 13.253 43.624 1.00 83.94 ? 1010 PRO C CD 1 ATOM 4088 N N . PRO C 1 132 ? 8.371 11.333 39.625 1.00 81.12 ? 1011 PRO C N 1 ATOM 4089 C CA . PRO C 1 132 ? 9.684 11.063 39.034 1.00 81.01 ? 1011 PRO C CA 1 ATOM 4090 C C . PRO C 1 132 ? 10.566 12.306 38.949 1.00 87.49 ? 1011 PRO C C 1 ATOM 4091 O O . PRO C 1 132 ? 10.053 13.432 38.888 1.00 86.89 ? 1011 PRO C O 1 ATOM 4092 C CB . PRO C 1 132 ? 9.335 10.532 37.638 1.00 78.48 ? 1011 PRO C CB 1 ATOM 4093 C CG . PRO C 1 132 ? 8.004 11.037 37.343 1.00 80.33 ? 1011 PRO C CG 1 ATOM 4094 C CD . PRO C 1 132 ? 7.289 11.037 38.657 1.00 78.23 ? 1011 PRO C CD 1 ATOM 4095 N N . SER C 1 133 ? 11.897 12.093 38.958 1.00 85.66 ? 1012 SER C N 1 ATOM 4096 C CA . SER C 1 133 ? 12.857 13.176 38.785 1.00 87.17 ? 1012 SER C CA 1 ATOM 4097 C C . SER C 1 133 ? 12.758 13.773 37.358 1.00 90.87 ? 1012 SER C C 1 ATOM 4098 O O . SER C 1 133 ? 12.813 14.994 37.199 1.00 91.16 ? 1012 SER C O 1 ATOM 4099 C CB . SER C 1 133 ? 14.268 12.681 39.058 1.00 92.65 ? 1012 SER C CB 1 ATOM 4100 O OG . SER C 1 133 ? 14.450 12.449 40.444 1.00 105.15 ? 1012 SER C OG 1 ATOM 4101 N N . GLU C 1 134 ? 12.585 12.903 36.338 1.00 85.84 ? 1013 GLU C N 1 ATOM 4102 C CA . GLU C 1 134 ? 12.463 13.286 34.930 1.00 82.96 ? 1013 GLU C CA 1 ATOM 4103 C C . GLU C 1 134 ? 11.033 13.052 34.451 1.00 82.71 ? 1013 GLU C C 1 ATOM 4104 O O . GLU C 1 134 ? 10.768 12.156 33.644 1.00 80.51 ? 1013 GLU C O 1 ATOM 4105 C CB . GLU C 1 134 ? 13.497 12.544 34.074 1.00 85.32 ? 1013 GLU C CB 1 ATOM 4106 C CG . GLU C 1 134 ? 14.942 12.798 34.491 1.00 98.09 ? 1013 GLU C CG 1 ATOM 4107 C CD . GLU C 1 134 ? 16.032 11.896 33.920 1.00 124.15 ? 1013 GLU C CD 1 ATOM 4108 O OE1 . GLU C 1 134 ? 15.717 10.999 33.100 1.00 106.85 ? 1013 GLU C OE1 1 ATOM 4109 O OE2 . GLU C 1 134 ? 17.207 12.072 34.323 1.00 129.43 ? 1013 GLU C OE2 1 ATOM 4110 N N . ALA C 1 135 ? 10.095 13.853 34.998 1.00 77.64 ? 1014 ALA C N 1 ATOM 4111 C CA . ALA C 1 135 ? 8.678 13.824 34.652 1.00 73.83 ? 1014 ALA C CA 1 ATOM 4112 C C . ALA C 1 135 ? 8.449 14.304 33.191 1.00 78.34 ? 1014 ALA C C 1 ATOM 4113 O O . ALA C 1 135 ? 7.517 13.844 32.513 1.00 77.34 ? 1014 ALA C O 1 ATOM 4114 C CB . ALA C 1 135 ? 7.906 14.697 35.615 1.00 74.98 ? 1014 ALA C CB 1 ATOM 4115 N N . ASN C 1 136 ? 9.292 15.253 32.729 1.00 75.68 ? 1015 ASN C N 1 ATOM 4116 C CA . ASN C 1 136 ? 9.305 15.810 31.375 1.00 74.96 ? 1015 ASN C CA 1 ATOM 4117 C C . ASN C 1 136 ? 7.983 16.434 30.886 1.00 80.37 ? 1015 ASN C C 1 ATOM 4118 O O . ASN C 1 136 ? 7.800 16.660 29.682 1.00 80.49 ? 1015 ASN C O 1 ATOM 4119 C CB . ASN C 1 136 ? 9.839 14.778 30.377 1.00 70.26 ? 1015 ASN C CB 1 ATOM 4120 C CG . ASN C 1 136 ? 11.167 14.165 30.727 1.00 81.98 ? 1015 ASN C CG 1 ATOM 4121 O OD1 . ASN C 1 136 ? 11.456 13.034 30.330 1.00 70.34 ? 1015 ASN C OD1 1 ATOM 4122 N ND2 . ASN C 1 136 ? 12.019 14.898 31.438 1.00 79.12 ? 1015 ASN C ND2 1 ATOM 4123 N N . GLY C 1 137 ? 7.111 16.735 31.835 1.00 76.52 ? 1016 GLY C N 1 ATOM 4124 C CA . GLY C 1 137 ? 5.796 17.313 31.612 1.00 75.50 ? 1016 GLY C CA 1 ATOM 4125 C C . GLY C 1 137 ? 4.942 17.180 32.847 1.00 79.72 ? 1016 GLY C C 1 ATOM 4126 O O . GLY C 1 137 ? 5.403 16.661 33.870 1.00 82.05 ? 1016 GLY C O 1 ATOM 4127 N N . LYS C 1 138 ? 3.695 17.651 32.780 1.00 74.47 ? 1017 LYS C N 1 ATOM 4128 C CA . LYS C 1 138 ? 2.800 17.583 33.938 1.00 73.42 ? 1017 LYS C CA 1 ATOM 4129 C C . LYS C 1 138 ? 2.307 16.165 34.130 1.00 73.61 ? 1017 LYS C C 1 ATOM 4130 O O . LYS C 1 138 ? 1.742 15.591 33.188 1.00 75.02 ? 1017 LYS C O 1 ATOM 4131 C CB . LYS C 1 138 ? 1.631 18.592 33.773 1.00 76.68 ? 1017 LYS C CB 1 ATOM 4132 C CG . LYS C 1 138 ? 0.694 18.630 34.960 1.00 91.49 ? 1017 LYS C CG 1 ATOM 4133 C CD . LYS C 1 138 ? -0.115 19.869 35.080 1.00 109.07 ? 1017 LYS C CD 1 ATOM 4134 C CE . LYS C 1 138 ? -0.827 19.806 36.406 1.00 130.61 ? 1017 LYS C CE 1 ATOM 4135 N NZ . LYS C 1 138 ? -0.646 21.059 37.197 1.00 154.15 ? 1017 LYS C NZ 1 ATOM 4136 N N . ILE C 1 139 ? 2.538 15.593 35.314 1.00 67.25 ? 1018 ILE C N 1 ATOM 4137 C CA . ILE C 1 139 ? 2.085 14.227 35.633 1.00 66.32 ? 1018 ILE C CA 1 ATOM 4138 C C . ILE C 1 139 ? 0.571 14.170 35.691 1.00 73.08 ? 1018 ILE C C 1 ATOM 4139 O O . ILE C 1 139 ? -0.046 14.944 36.440 1.00 76.01 ? 1018 ILE C O 1 ATOM 4140 C CB . ILE C 1 139 ? 2.778 13.600 36.888 1.00 69.21 ? 1018 ILE C CB 1 ATOM 4141 C CG1 . ILE C 1 139 ? 4.316 13.518 36.708 1.00 69.43 ? 1018 ILE C CG1 1 ATOM 4142 C CG2 . ILE C 1 139 ? 2.211 12.233 37.227 1.00 67.59 ? 1018 ILE C CG2 1 ATOM 4143 C CD1 . ILE C 1 139 ? 4.884 12.776 35.358 1.00 67.50 ? 1018 ILE C CD1 1 ATOM 4144 N N . THR C 1 140 ? -0.024 13.304 34.848 1.00 68.45 ? 1019 THR C N 1 ATOM 4145 C CA . THR C 1 140 ? -1.475 13.137 34.736 1.00 69.48 ? 1019 THR C CA 1 ATOM 4146 C C . THR C 1 140 ? -2.004 11.930 35.504 1.00 76.82 ? 1019 THR C C 1 ATOM 4147 O O . THR C 1 140 ? -3.214 11.705 35.558 1.00 79.24 ? 1019 THR C O 1 ATOM 4148 C CB . THR C 1 140 ? -1.902 13.066 33.293 1.00 74.03 ? 1019 THR C CB 1 ATOM 4149 O OG1 . THR C 1 140 ? -1.238 11.962 32.675 1.00 77.77 ? 1019 THR C OG1 1 ATOM 4150 C CG2 . THR C 1 140 ? -1.612 14.326 32.572 1.00 73.02 ? 1019 THR C CG2 1 ATOM 4151 N N . GLY C 1 141 ? -1.113 11.161 36.091 1.00 72.30 ? 1020 GLY C N 1 ATOM 4152 C CA . GLY C 1 141 ? -1.524 9.997 36.852 1.00 71.22 ? 1020 GLY C CA 1 ATOM 4153 C C . GLY C 1 141 ? -0.418 8.990 36.985 1.00 72.05 ? 1020 GLY C C 1 ATOM 4154 O O . GLY C 1 141 ? 0.705 9.226 36.541 1.00 70.33 ? 1020 GLY C O 1 ATOM 4155 N N . TYR C 1 142 ? -0.733 7.869 37.611 1.00 68.58 ? 1021 TYR C N 1 ATOM 4156 C CA . TYR C 1 142 ? 0.195 6.762 37.842 1.00 67.22 ? 1021 TYR C CA 1 ATOM 4157 C C . TYR C 1 142 ? -0.511 5.457 37.614 1.00 70.33 ? 1021 TYR C C 1 ATOM 4158 O O . TYR C 1 142 ? -1.735 5.417 37.593 1.00 69.69 ? 1021 TYR C O 1 ATOM 4159 C CB . TYR C 1 142 ? 0.714 6.805 39.281 1.00 70.09 ? 1021 TYR C CB 1 ATOM 4160 C CG . TYR C 1 142 ? 1.554 8.025 39.585 1.00 73.02 ? 1021 TYR C CG 1 ATOM 4161 C CD1 . TYR C 1 142 ? 2.914 8.046 39.301 1.00 74.49 ? 1021 TYR C CD1 1 ATOM 4162 C CD2 . TYR C 1 142 ? 0.988 9.163 40.159 1.00 75.47 ? 1021 TYR C CD2 1 ATOM 4163 C CE1 . TYR C 1 142 ? 3.686 9.171 39.567 1.00 75.49 ? 1021 TYR C CE1 1 ATOM 4164 C CE2 . TYR C 1 142 ? 1.761 10.288 40.450 1.00 77.27 ? 1021 TYR C CE2 1 ATOM 4165 C CZ . TYR C 1 142 ? 3.101 10.291 40.134 1.00 80.50 ? 1021 TYR C CZ 1 ATOM 4166 O OH . TYR C 1 142 ? 3.844 11.407 40.393 1.00 83.99 ? 1021 TYR C OH 1 ATOM 4167 N N . ILE C 1 143 ? 0.246 4.396 37.422 1.00 69.11 ? 1022 ILE C N 1 ATOM 4168 C CA . ILE C 1 143 ? -0.292 3.048 37.316 1.00 70.95 ? 1022 ILE C CA 1 ATOM 4169 C C . ILE C 1 143 ? 0.507 2.136 38.233 1.00 76.56 ? 1022 ILE C C 1 ATOM 4170 O O . ILE C 1 143 ? 1.734 1.986 38.062 1.00 77.01 ? 1022 ILE C O 1 ATOM 4171 C CB . ILE C 1 143 ? -0.416 2.456 35.886 1.00 74.12 ? 1022 ILE C CB 1 ATOM 4172 C CG1 . ILE C 1 143 ? -1.323 3.309 35.002 1.00 72.96 ? 1022 ILE C CG1 1 ATOM 4173 C CG2 . ILE C 1 143 ? -0.971 1.006 35.986 1.00 79.11 ? 1022 ILE C CG2 1 ATOM 4174 C CD1 . ILE C 1 143 ? -1.524 2.792 33.623 1.00 72.13 ? 1022 ILE C CD1 1 ATOM 4175 N N . ILE C 1 144 ? -0.203 1.532 39.200 1.00 74.56 ? 1023 ILE C N 1 ATOM 4176 C CA . ILE C 1 144 ? 0.351 0.564 40.136 1.00 77.48 ? 1023 ILE C CA 1 ATOM 4177 C C . ILE C 1 144 ? 0.091 -0.834 39.568 1.00 84.79 ? 1023 ILE C C 1 ATOM 4178 O O . ILE C 1 144 ? -0.968 -1.088 38.978 1.00 84.68 ? 1023 ILE C O 1 ATOM 4179 C CB . ILE C 1 144 ? -0.246 0.736 41.546 1.00 82.50 ? 1023 ILE C CB 1 ATOM 4180 C CG1 . ILE C 1 144 ? 0.028 2.164 42.089 1.00 82.65 ? 1023 ILE C CG1 1 ATOM 4181 C CG2 . ILE C 1 144 ? 0.246 -0.379 42.517 1.00 85.21 ? 1023 ILE C CG2 1 ATOM 4182 C CD1 . ILE C 1 144 ? -0.513 2.449 43.478 1.00 94.56 ? 1023 ILE C CD1 1 ATOM 4183 N N . TYR C 1 145 ? 1.079 -1.724 39.720 1.00 83.60 ? 1024 TYR C N 1 ATOM 4184 C CA . TYR C 1 145 ? 0.974 -3.115 39.307 1.00 85.58 ? 1024 TYR C CA 1 ATOM 4185 C C . TYR C 1 145 ? 1.378 -3.963 40.497 1.00 95.81 ? 1024 TYR C C 1 ATOM 4186 O O . TYR C 1 145 ? 2.379 -3.650 41.148 1.00 96.76 ? 1024 TYR C O 1 ATOM 4187 C CB . TYR C 1 145 ? 1.923 -3.434 38.156 1.00 85.78 ? 1024 TYR C CB 1 ATOM 4188 C CG . TYR C 1 145 ? 1.694 -2.654 36.896 1.00 83.88 ? 1024 TYR C CG 1 ATOM 4189 C CD1 . TYR C 1 145 ? 2.320 -1.431 36.688 1.00 83.09 ? 1024 TYR C CD1 1 ATOM 4190 C CD2 . TYR C 1 145 ? 0.921 -3.174 35.867 1.00 85.37 ? 1024 TYR C CD2 1 ATOM 4191 C CE1 . TYR C 1 145 ? 2.122 -0.711 35.517 1.00 80.39 ? 1024 TYR C CE1 1 ATOM 4192 C CE2 . TYR C 1 145 ? 0.715 -2.464 34.690 1.00 84.31 ? 1024 TYR C CE2 1 ATOM 4193 C CZ . TYR C 1 145 ? 1.334 -1.244 34.510 1.00 88.15 ? 1024 TYR C CZ 1 ATOM 4194 O OH . TYR C 1 145 ? 1.138 -0.582 33.325 1.00 87.72 ? 1024 TYR C OH 1 ATOM 4195 N N . TYR C 1 146 ? 0.630 -5.047 40.772 1.00 96.21 ? 1025 TYR C N 1 ATOM 4196 C CA . TYR C 1 146 ? 0.994 -5.975 41.844 1.00 100.87 ? 1025 TYR C CA 1 ATOM 4197 C C . TYR C 1 146 ? 0.795 -7.427 41.466 1.00 107.82 ? 1025 TYR C C 1 ATOM 4198 O O . TYR C 1 146 ? -0.065 -7.741 40.637 1.00 107.79 ? 1025 TYR C O 1 ATOM 4199 C CB . TYR C 1 146 ? 0.367 -5.629 43.189 1.00 104.02 ? 1025 TYR C CB 1 ATOM 4200 C CG . TYR C 1 146 ? -1.139 -5.747 43.239 1.00 106.94 ? 1025 TYR C CG 1 ATOM 4201 C CD1 . TYR C 1 146 ? -1.954 -4.673 42.900 1.00 106.32 ? 1025 TYR C CD1 1 ATOM 4202 C CD2 . TYR C 1 146 ? -1.751 -6.911 43.692 1.00 111.29 ? 1025 TYR C CD2 1 ATOM 4203 C CE1 . TYR C 1 146 ? -3.342 -4.763 42.986 1.00 108.50 ? 1025 TYR C CE1 1 ATOM 4204 C CE2 . TYR C 1 146 ? -3.142 -7.018 43.762 1.00 112.24 ? 1025 TYR C CE2 1 ATOM 4205 C CZ . TYR C 1 146 ? -3.930 -5.928 43.443 1.00 116.09 ? 1025 TYR C CZ 1 ATOM 4206 O OH . TYR C 1 146 ? -5.294 -6.010 43.523 1.00 119.12 ? 1025 TYR C OH 1 ATOM 4207 N N . SER C 1 147 ? 1.629 -8.306 42.027 1.00 106.64 ? 1026 SER C N 1 ATOM 4208 C CA . SER C 1 147 ? 1.583 -9.737 41.738 1.00 110.21 ? 1026 SER C CA 1 ATOM 4209 C C . SER C 1 147 ? 2.128 -10.551 42.895 1.00 123.44 ? 1026 SER C C 1 ATOM 4210 O O . SER C 1 147 ? 2.935 -10.057 43.694 1.00 125.54 ? 1026 SER C O 1 ATOM 4211 C CB . SER C 1 147 ? 2.400 -10.055 40.489 1.00 111.62 ? 1026 SER C CB 1 ATOM 4212 O OG . SER C 1 147 ? 2.152 -11.368 40.014 1.00 120.90 ? 1026 SER C OG 1 ATOM 4213 N N . THR C 1 148 ? 1.702 -11.822 42.967 1.00 124.18 ? 1027 THR C N 1 ATOM 4214 C CA . THR C 1 148 ? 2.189 -12.771 43.957 1.00 129.98 ? 1027 THR C CA 1 ATOM 4215 C C . THR C 1 148 ? 3.512 -13.355 43.434 1.00 139.10 ? 1027 THR C C 1 ATOM 4216 O O . THR C 1 148 ? 4.324 -13.853 44.219 1.00 144.79 ? 1027 THR C O 1 ATOM 4217 C CB . THR C 1 148 ? 1.128 -13.837 44.255 1.00 132.97 ? 1027 THR C CB 1 ATOM 4218 O OG1 . THR C 1 148 ? 0.807 -14.541 43.055 1.00 125.85 ? 1027 THR C OG1 1 ATOM 4219 C CG2 . THR C 1 148 ? -0.126 -13.249 44.883 1.00 127.00 ? 1027 THR C CG2 1 ATOM 4220 N N . ASP C 1 149 ? 3.723 -13.274 42.107 1.00 133.36 ? 1028 ASP C N 1 ATOM 4221 C CA . ASP C 1 149 ? 4.930 -13.732 41.430 1.00 136.30 ? 1028 ASP C CA 1 ATOM 4222 C C . ASP C 1 149 ? 5.648 -12.553 40.791 1.00 135.69 ? 1028 ASP C C 1 ATOM 4223 O O . ASP C 1 149 ? 5.119 -11.914 39.878 1.00 131.14 ? 1028 ASP C O 1 ATOM 4224 C CB . ASP C 1 149 ? 4.607 -14.826 40.392 1.00 140.91 ? 1028 ASP C CB 1 ATOM 4225 C CG . ASP C 1 149 ? 5.783 -15.286 39.531 1.00 158.94 ? 1028 ASP C CG 1 ATOM 4226 O OD1 . ASP C 1 149 ? 6.919 -15.390 40.066 1.00 163.92 ? 1028 ASP C OD1 1 ATOM 4227 O OD2 . ASP C 1 149 ? 5.561 -15.586 38.336 1.00 164.67 ? 1028 ASP C OD2 1 ATOM 4228 N N . VAL C 1 150 ? 6.860 -12.280 41.278 1.00 133.98 ? 1029 VAL C N 1 ATOM 4229 C CA . VAL C 1 150 ? 7.731 -11.196 40.822 1.00 130.62 ? 1029 VAL C CA 1 ATOM 4230 C C . VAL C 1 150 ? 8.170 -11.375 39.359 1.00 134.82 ? 1029 VAL C C 1 ATOM 4231 O O . VAL C 1 150 ? 8.354 -10.391 38.643 1.00 130.58 ? 1029 VAL C O 1 ATOM 4232 C CB . VAL C 1 150 ? 8.927 -11.006 41.798 1.00 137.18 ? 1029 VAL C CB 1 ATOM 4233 C CG1 . VAL C 1 150 ? 9.789 -12.258 41.902 1.00 143.60 ? 1029 VAL C CG1 1 ATOM 4234 C CG2 . VAL C 1 150 ? 9.760 -9.770 41.466 1.00 133.76 ? 1029 VAL C CG2 1 ATOM 4235 N N . ASN C 1 151 ? 8.303 -12.625 38.921 1.00 135.81 ? 1030 ASN C N 1 ATOM 4236 C CA . ASN C 1 151 ? 8.758 -12.948 37.576 1.00 136.01 ? 1030 ASN C CA 1 ATOM 4237 C C . ASN C 1 151 ? 7.646 -13.058 36.519 1.00 136.21 ? 1030 ASN C C 1 ATOM 4238 O O . ASN C 1 151 ? 7.957 -13.300 35.348 1.00 137.04 ? 1030 ASN C O 1 ATOM 4239 C CB . ASN C 1 151 ? 9.633 -14.197 37.619 1.00 144.12 ? 1030 ASN C CB 1 ATOM 4240 C CG . ASN C 1 151 ? 10.732 -14.118 38.654 1.00 174.59 ? 1030 ASN C CG 1 ATOM 4241 O OD1 . ASN C 1 151 ? 11.550 -13.186 38.661 1.00 166.04 ? 1030 ASN C OD1 1 ATOM 4242 N ND2 . ASN C 1 151 ? 10.752 -15.078 39.573 1.00 175.10 ? 1030 ASN C ND2 1 ATOM 4243 N N . ALA C 1 152 ? 6.367 -12.850 36.912 1.00 128.32 ? 1031 ALA C N 1 ATOM 4244 C CA . ALA C 1 152 ? 5.220 -12.931 36.000 1.00 125.15 ? 1031 ALA C CA 1 ATOM 4245 C C . ALA C 1 152 ? 5.249 -11.843 34.934 1.00 125.28 ? 1031 ALA C C 1 ATOM 4246 O O . ALA C 1 152 ? 5.730 -10.737 35.200 1.00 121.88 ? 1031 ALA C O 1 ATOM 4247 C CB . ALA C 1 152 ? 3.921 -12.850 36.784 1.00 124.11 ? 1031 ALA C CB 1 ATOM 4248 N N . GLU C 1 153 ? 4.741 -12.157 33.725 1.00 123.09 ? 1032 GLU C N 1 ATOM 4249 C CA . GLU C 1 153 ? 4.675 -11.178 32.631 1.00 120.54 ? 1032 GLU C CA 1 ATOM 4250 C C . GLU C 1 153 ? 3.720 -10.049 33.019 1.00 120.22 ? 1032 GLU C C 1 ATOM 4251 O O . GLU C 1 153 ? 2.773 -10.285 33.775 1.00 120.10 ? 1032 GLU C O 1 ATOM 4252 C CB . GLU C 1 153 ? 4.273 -11.830 31.298 1.00 124.32 ? 1032 GLU C CB 1 ATOM 4253 C CG . GLU C 1 153 ? 5.465 -12.304 30.480 1.00 142.42 ? 1032 GLU C CG 1 ATOM 4254 C CD . GLU C 1 153 ? 5.220 -13.368 29.420 1.00 173.85 ? 1032 GLU C CD 1 ATOM 4255 O OE1 . GLU C 1 153 ? 4.068 -13.846 29.292 1.00 174.89 ? 1032 GLU C OE1 1 ATOM 4256 O OE2 . GLU C 1 153 ? 6.199 -13.757 28.743 1.00 171.74 ? 1032 GLU C OE2 1 ATOM 4257 N N . ILE C 1 154 ? 3.987 -8.827 32.544 1.00 112.33 ? 1033 ILE C N 1 ATOM 4258 C CA . ILE C 1 154 ? 3.211 -7.653 32.927 1.00 107.43 ? 1033 ILE C CA 1 ATOM 4259 C C . ILE C 1 154 ? 1.687 -7.742 32.790 1.00 110.33 ? 1033 ILE C C 1 ATOM 4260 O O . ILE C 1 154 ? 0.972 -7.170 33.621 1.00 109.33 ? 1033 ILE C O 1 ATOM 4261 C CB . ILE C 1 154 ? 3.835 -6.349 32.400 1.00 107.32 ? 1033 ILE C CB 1 ATOM 4262 C CG1 . ILE C 1 154 ? 3.459 -5.119 33.268 1.00 104.29 ? 1033 ILE C CG1 1 ATOM 4263 C CG2 . ILE C 1 154 ? 3.564 -6.147 30.911 1.00 107.68 ? 1033 ILE C CG2 1 ATOM 4264 C CD1 . ILE C 1 154 ? 3.930 -5.177 34.714 1.00 113.19 ? 1033 ILE C CD1 1 ATOM 4265 N N . HIS C 1 155 ? 1.191 -8.485 31.775 1.00 107.17 ? 1034 HIS C N 1 ATOM 4266 C CA . HIS C 1 155 ? -0.249 -8.687 31.573 1.00 106.25 ? 1034 HIS C CA 1 ATOM 4267 C C . HIS C 1 155 ? -0.865 -9.492 32.719 1.00 107.72 ? 1034 HIS C C 1 ATOM 4268 O O . HIS C 1 155 ? -2.033 -9.291 33.042 1.00 106.06 ? 1034 HIS C O 1 ATOM 4269 C CB . HIS C 1 155 ? -0.577 -9.355 30.219 1.00 109.97 ? 1034 HIS C CB 1 ATOM 4270 C CG . HIS C 1 155 ? 0.018 -8.687 29.026 1.00 112.51 ? 1034 HIS C CG 1 ATOM 4271 N ND1 . HIS C 1 155 ? -0.546 -7.550 28.471 1.00 111.74 ? 1034 HIS C ND1 1 ATOM 4272 C CD2 . HIS C 1 155 ? 1.108 -9.030 28.303 1.00 116.70 ? 1034 HIS C CD2 1 ATOM 4273 C CE1 . HIS C 1 155 ? 0.222 -7.234 27.441 1.00 111.55 ? 1034 HIS C CE1 1 ATOM 4274 N NE2 . HIS C 1 155 ? 1.235 -8.090 27.306 1.00 114.74 ? 1034 HIS C NE2 1 ATOM 4275 N N . ASP C 1 156 ? -0.068 -10.373 33.352 1.00 105.70 ? 1035 ASP C N 1 ATOM 4276 C CA . ASP C 1 156 ? -0.485 -11.220 34.475 1.00 108.06 ? 1035 ASP C CA 1 ATOM 4277 C C . ASP C 1 156 ? -0.539 -10.473 35.804 1.00 107.52 ? 1035 ASP C C 1 ATOM 4278 O O . ASP C 1 156 ? -1.168 -10.967 36.740 1.00 108.39 ? 1035 ASP C O 1 ATOM 4279 C CB . ASP C 1 156 ? 0.383 -12.484 34.576 1.00 114.84 ? 1035 ASP C CB 1 ATOM 4280 C CG . ASP C 1 156 ? 0.371 -13.347 33.327 1.00 131.80 ? 1035 ASP C CG 1 ATOM 4281 O OD1 . ASP C 1 156 ? -0.592 -13.235 32.532 1.00 130.84 ? 1035 ASP C OD1 1 ATOM 4282 O OD2 . ASP C 1 156 ? 1.315 -14.144 33.150 1.00 146.72 ? 1035 ASP C OD2 1 ATOM 4283 N N . TRP C 1 157 ? 0.096 -9.280 35.881 1.00 98.86 ? 1036 TRP C N 1 ATOM 4284 C CA . TRP C 1 157 ? 0.081 -8.421 37.068 1.00 95.94 ? 1036 TRP C CA 1 ATOM 4285 C C . TRP C 1 157 ? -1.279 -7.748 37.153 1.00 96.91 ? 1036 TRP C C 1 ATOM 4286 O O . TRP C 1 157 ? -1.962 -7.593 36.139 1.00 93.83 ? 1036 TRP C O 1 ATOM 4287 C CB . TRP C 1 157 ? 1.187 -7.353 36.991 1.00 91.78 ? 1036 TRP C CB 1 ATOM 4288 C CG . TRP C 1 157 ? 2.564 -7.879 37.252 1.00 95.13 ? 1036 TRP C CG 1 ATOM 4289 C CD1 . TRP C 1 157 ? 3.225 -8.843 36.545 1.00 101.17 ? 1036 TRP C CD1 1 ATOM 4290 C CD2 . TRP C 1 157 ? 3.464 -7.449 38.287 1.00 95.99 ? 1036 TRP C CD2 1 ATOM 4291 N NE1 . TRP C 1 157 ? 4.463 -9.075 37.101 1.00 103.55 ? 1036 TRP C NE1 1 ATOM 4292 C CE2 . TRP C 1 157 ? 4.634 -8.237 38.178 1.00 103.58 ? 1036 TRP C CE2 1 ATOM 4293 C CE3 . TRP C 1 157 ? 3.391 -6.483 39.310 1.00 95.61 ? 1036 TRP C CE3 1 ATOM 4294 C CZ2 . TRP C 1 157 ? 5.728 -8.077 39.045 1.00 104.87 ? 1036 TRP C CZ2 1 ATOM 4295 C CZ3 . TRP C 1 157 ? 4.461 -6.341 40.184 1.00 99.28 ? 1036 TRP C CZ3 1 ATOM 4296 C CH2 . TRP C 1 157 ? 5.615 -7.129 40.047 1.00 103.46 ? 1036 TRP C CH2 1 ATOM 4297 N N . VAL C 1 158 ? -1.683 -7.381 38.358 1.00 94.98 ? 1037 VAL C N 1 ATOM 4298 C CA . VAL C 1 158 ? -2.967 -6.723 38.576 1.00 94.82 ? 1037 VAL C CA 1 ATOM 4299 C C . VAL C 1 158 ? -2.736 -5.217 38.414 1.00 97.95 ? 1037 VAL C C 1 ATOM 4300 O O . VAL C 1 158 ? -1.812 -4.682 39.031 1.00 98.16 ? 1037 VAL C O 1 ATOM 4301 C CB . VAL C 1 158 ? -3.578 -7.102 39.963 1.00 101.36 ? 1037 VAL C CB 1 ATOM 4302 C CG1 . VAL C 1 158 ? -4.971 -6.497 40.145 1.00 100.27 ? 1037 VAL C CG1 1 ATOM 4303 C CG2 . VAL C 1 158 ? -3.642 -8.615 40.140 1.00 105.28 ? 1037 VAL C CG2 1 ATOM 4304 N N . ILE C 1 159 ? -3.554 -4.546 37.576 1.00 93.26 ? 1038 ILE C N 1 ATOM 4305 C CA . ILE C 1 159 ? -3.435 -3.103 37.299 1.00 90.42 ? 1038 ILE C CA 1 ATOM 4306 C C . ILE C 1 159 ? -4.322 -2.289 38.263 1.00 94.65 ? 1038 ILE C C 1 ATOM 4307 O O . ILE C 1 159 ? -5.507 -2.605 38.447 1.00 96.06 ? 1038 ILE C O 1 ATOM 4308 C CB . ILE C 1 159 ? -3.711 -2.783 35.787 1.00 91.85 ? 1038 ILE C CB 1 ATOM 4309 C CG1 . ILE C 1 159 ? -2.552 -3.264 34.878 1.00 92.53 ? 1038 ILE C CG1 1 ATOM 4310 C CG2 . ILE C 1 159 ? -3.959 -1.298 35.541 1.00 89.02 ? 1038 ILE C CG2 1 ATOM 4311 C CD1 . ILE C 1 159 ? -2.529 -4.809 34.369 1.00 104.98 ? 1038 ILE C CD1 1 ATOM 4312 N N . GLU C 1 160 ? -3.730 -1.256 38.886 1.00 88.27 ? 1039 GLU C N 1 ATOM 4313 C CA . GLU C 1 160 ? -4.412 -0.337 39.791 1.00 87.11 ? 1039 GLU C CA 1 ATOM 4314 C C . GLU C 1 160 ? -4.072 1.100 39.396 1.00 88.21 ? 1039 GLU C C 1 ATOM 4315 O O . GLU C 1 160 ? -3.018 1.615 39.767 1.00 87.63 ? 1039 GLU C O 1 ATOM 4316 C CB . GLU C 1 160 ? -4.060 -0.619 41.248 1.00 90.57 ? 1039 GLU C CB 1 ATOM 4317 C CG . GLU C 1 160 ? -4.891 -1.740 41.844 1.00 106.78 ? 1039 GLU C CG 1 ATOM 4318 C CD . GLU C 1 160 ? -6.254 -1.406 42.435 1.00 128.05 ? 1039 GLU C CD 1 ATOM 4319 O OE1 . GLU C 1 160 ? -6.662 -0.219 42.427 1.00 105.36 ? 1039 GLU C OE1 1 ATOM 4320 O OE2 . GLU C 1 160 ? -6.914 -2.355 42.919 1.00 124.72 ? 1039 GLU C OE2 1 ATOM 4321 N N . PRO C 1 161 ? -4.928 1.761 38.596 1.00 84.09 ? 1040 PRO C N 1 ATOM 4322 C CA . PRO C 1 161 ? -4.614 3.135 38.161 1.00 81.72 ? 1040 PRO C CA 1 ATOM 4323 C C . PRO C 1 161 ? -4.895 4.202 39.219 1.00 87.36 ? 1040 PRO C C 1 ATOM 4324 O O . PRO C 1 161 ? -5.850 4.099 39.991 1.00 89.57 ? 1040 PRO C O 1 ATOM 4325 C CB . PRO C 1 161 ? -5.518 3.335 36.943 1.00 82.34 ? 1040 PRO C CB 1 ATOM 4326 C CG . PRO C 1 161 ? -6.192 2.020 36.711 1.00 88.00 ? 1040 PRO C CG 1 ATOM 4327 C CD . PRO C 1 161 ? -6.201 1.309 38.007 1.00 85.78 ? 1040 PRO C CD 1 ATOM 4328 N N . VAL C 1 162 ? -4.037 5.221 39.248 1.00 82.59 ? 1041 VAL C N 1 ATOM 4329 C CA . VAL C 1 162 ? -4.094 6.379 40.150 1.00 82.40 ? 1041 VAL C CA 1 ATOM 4330 C C . VAL C 1 162 ? -4.280 7.623 39.262 1.00 82.47 ? 1041 VAL C C 1 ATOM 4331 O O . VAL C 1 162 ? -3.417 7.929 38.433 1.00 78.53 ? 1041 VAL C O 1 ATOM 4332 C CB . VAL C 1 162 ? -2.817 6.503 41.033 1.00 86.29 ? 1041 VAL C CB 1 ATOM 4333 C CG1 . VAL C 1 162 ? -2.952 7.650 42.047 1.00 87.76 ? 1041 VAL C CG1 1 ATOM 4334 C CG2 . VAL C 1 162 ? -2.477 5.175 41.721 1.00 87.36 ? 1041 VAL C CG2 1 ATOM 4335 N N . VAL C 1 163 ? -5.418 8.306 39.418 1.00 79.95 ? 1042 VAL C N 1 ATOM 4336 C CA . VAL C 1 163 ? -5.762 9.496 38.643 1.00 78.96 ? 1042 VAL C CA 1 ATOM 4337 C C . VAL C 1 163 ? -5.279 10.774 39.286 1.00 85.12 ? 1042 VAL C C 1 ATOM 4338 O O . VAL C 1 163 ? -5.545 11.030 40.449 1.00 87.55 ? 1042 VAL C O 1 ATOM 4339 C CB . VAL C 1 163 ? -7.247 9.583 38.216 1.00 83.19 ? 1042 VAL C CB 1 ATOM 4340 C CG1 . VAL C 1 163 ? -7.508 8.752 36.979 1.00 80.97 ? 1042 VAL C CG1 1 ATOM 4341 C CG2 . VAL C 1 163 ? -8.166 9.162 39.352 1.00 86.05 ? 1042 VAL C CG2 1 ATOM 4342 N N . GLY C 1 164 ? -4.559 11.558 38.503 1.00 81.70 ? 1043 GLY C N 1 ATOM 4343 C CA . GLY C 1 164 ? -3.970 12.825 38.914 1.00 83.09 ? 1043 GLY C CA 1 ATOM 4344 C C . GLY C 1 164 ? -2.652 12.625 39.620 1.00 88.64 ? 1043 GLY C C 1 ATOM 4345 O O . GLY C 1 164 ? -2.247 11.479 39.873 1.00 89.60 ? 1043 GLY C O 1 ATOM 4346 N N . ASN C 1 165 ? -1.971 13.734 39.960 1.00 85.36 ? 1044 ASN C N 1 ATOM 4347 C CA . ASN C 1 165 ? -0.718 13.611 40.692 1.00 86.17 ? 1044 ASN C CA 1 ATOM 4348 C C . ASN C 1 165 ? -0.945 13.375 42.214 1.00 93.82 ? 1044 ASN C C 1 ATOM 4349 O O . ASN C 1 165 ? -0.620 14.226 43.054 1.00 95.40 ? 1044 ASN C O 1 ATOM 4350 C CB . ASN C 1 165 ? 0.254 14.752 40.369 1.00 90.70 ? 1044 ASN C CB 1 ATOM 4351 C CG . ASN C 1 165 ? 1.637 14.581 40.979 1.00 115.04 ? 1044 ASN C CG 1 ATOM 4352 O OD1 . ASN C 1 165 ? 2.450 13.764 40.536 1.00 95.64 ? 1044 ASN C OD1 1 ATOM 4353 N ND2 . ASN C 1 165 ? 1.926 15.346 42.027 1.00 121.20 ? 1044 ASN C ND2 1 ATOM 4354 N N . ARG C 1 166 ? -1.547 12.207 42.543 1.00 91.02 ? 1045 ARG C N 1 ATOM 4355 C CA . ARG C 1 166 ? -1.803 11.738 43.910 1.00 93.37 ? 1045 ARG C CA 1 ATOM 4356 C C . ARG C 1 166 ? -0.564 10.925 44.253 1.00 97.53 ? 1045 ARG C C 1 ATOM 4357 O O . ARG C 1 166 ? -0.004 10.267 43.367 1.00 94.28 ? 1045 ARG C O 1 ATOM 4358 C CB . ARG C 1 166 ? -3.045 10.834 43.970 1.00 91.66 ? 1045 ARG C CB 1 ATOM 4359 C CG . ARG C 1 166 ? -4.324 11.579 43.687 1.00 96.72 ? 1045 ARG C CG 1 ATOM 4360 C CD . ARG C 1 166 ? -5.557 10.717 43.764 1.00 100.36 ? 1045 ARG C CD 1 ATOM 4361 N NE . ARG C 1 166 ? -6.746 11.489 43.383 1.00 109.30 ? 1045 ARG C NE 1 ATOM 4362 C CZ . ARG C 1 166 ? -7.444 12.287 44.193 1.00 133.73 ? 1045 ARG C CZ 1 ATOM 4363 N NH1 . ARG C 1 166 ? -7.096 12.426 45.468 1.00 127.96 ? 1045 ARG C NH1 1 ATOM 4364 N NH2 . ARG C 1 166 ? -8.498 12.946 43.734 1.00 129.29 ? 1045 ARG C NH2 1 ATOM 4365 N N . LEU C 1 167 ? -0.108 10.993 45.505 1.00 97.16 ? 1046 LEU C N 1 ATOM 4366 C CA . LEU C 1 167 ? 1.098 10.272 45.888 1.00 97.60 ? 1046 LEU C CA 1 ATOM 4367 C C . LEU C 1 167 ? 0.849 9.085 46.821 1.00 102.19 ? 1046 LEU C C 1 ATOM 4368 O O . LEU C 1 167 ? 1.788 8.476 47.348 1.00 102.24 ? 1046 LEU C O 1 ATOM 4369 C CB . LEU C 1 167 ? 2.191 11.235 46.381 1.00 100.07 ? 1046 LEU C CB 1 ATOM 4370 C CG . LEU C 1 167 ? 2.669 12.284 45.341 1.00 103.07 ? 1046 LEU C CG 1 ATOM 4371 C CD1 . LEU C 1 167 ? 3.674 13.212 45.943 1.00 106.51 ? 1046 LEU C CD1 1 ATOM 4372 C CD2 . LEU C 1 167 ? 3.247 11.635 44.077 1.00 101.26 ? 1046 LEU C CD2 1 ATOM 4373 N N . THR C 1 168 ? -0.438 8.716 46.948 1.00 98.67 ? 1047 THR C N 1 ATOM 4374 C CA . THR C 1 168 ? -0.906 7.590 47.754 1.00 100.70 ? 1047 THR C CA 1 ATOM 4375 C C . THR C 1 168 ? -2.054 6.857 47.052 1.00 103.97 ? 1047 THR C C 1 ATOM 4376 O O . THR C 1 168 ? -2.811 7.459 46.276 1.00 102.18 ? 1047 THR C O 1 ATOM 4377 C CB . THR C 1 168 ? -1.331 8.064 49.145 1.00 110.84 ? 1047 THR C CB 1 ATOM 4378 O OG1 . THR C 1 168 ? -0.431 9.014 49.699 1.00 115.63 ? 1047 THR C OG1 1 ATOM 4379 C CG2 . THR C 1 168 ? -1.608 6.948 50.098 1.00 112.45 ? 1047 THR C CG2 1 ATOM 4380 N N . HIS C 1 169 ? -2.174 5.550 47.330 1.00 102.30 ? 1048 HIS C N 1 ATOM 4381 C CA . HIS C 1 169 ? -3.235 4.704 46.799 1.00 101.81 ? 1048 HIS C CA 1 ATOM 4382 C C . HIS C 1 169 ? -3.397 3.488 47.688 1.00 112.09 ? 1048 HIS C C 1 ATOM 4383 O O . HIS C 1 169 ? -2.423 2.806 48.012 1.00 113.51 ? 1048 HIS C O 1 ATOM 4384 C CB . HIS C 1 169 ? -2.975 4.294 45.339 1.00 98.04 ? 1048 HIS C CB 1 ATOM 4385 C CG . HIS C 1 169 ? -4.095 3.533 44.699 1.00 100.61 ? 1048 HIS C CG 1 ATOM 4386 N ND1 . HIS C 1 169 ? -5.261 4.167 44.291 1.00 102.10 ? 1048 HIS C ND1 1 ATOM 4387 C CD2 . HIS C 1 169 ? -4.182 2.218 44.389 1.00 102.61 ? 1048 HIS C CD2 1 ATOM 4388 C CE1 . HIS C 1 169 ? -6.028 3.215 43.776 1.00 101.60 ? 1048 HIS C CE1 1 ATOM 4389 N NE2 . HIS C 1 169 ? -5.426 2.024 43.822 1.00 102.34 ? 1048 HIS C NE2 1 ATOM 4390 N N . GLN C 1 170 ? -4.640 3.213 48.059 1.00 110.88 ? 1049 GLN C N 1 ATOM 4391 C CA . GLN C 1 170 ? -5.022 2.088 48.885 1.00 113.92 ? 1049 GLN C CA 1 ATOM 4392 C C . GLN C 1 170 ? -5.495 0.922 48.001 1.00 115.33 ? 1049 GLN C C 1 ATOM 4393 O O . GLN C 1 170 ? -6.289 1.127 47.075 1.00 112.78 ? 1049 GLN C O 1 ATOM 4394 C CB . GLN C 1 170 ? -6.168 2.555 49.760 1.00 119.01 ? 1049 GLN C CB 1 ATOM 4395 C CG . GLN C 1 170 ? -6.298 1.811 51.046 1.00 138.32 ? 1049 GLN C CG 1 ATOM 4396 C CD . GLN C 1 170 ? -7.594 2.208 51.690 1.00 158.40 ? 1049 GLN C CD 1 ATOM 4397 O OE1 . GLN C 1 170 ? -8.658 1.629 51.417 1.00 153.92 ? 1049 GLN C OE1 1 ATOM 4398 N NE2 . GLN C 1 170 ? -7.538 3.254 52.502 1.00 151.56 ? 1049 GLN C NE2 1 ATOM 4399 N N . ILE C 1 171 ? -5.007 -0.292 48.284 1.00 112.61 ? 1050 ILE C N 1 ATOM 4400 C CA . ILE C 1 171 ? -5.404 -1.510 47.565 1.00 111.13 ? 1050 ILE C CA 1 ATOM 4401 C C . ILE C 1 171 ? -6.044 -2.470 48.565 1.00 118.98 ? 1050 ILE C C 1 ATOM 4402 O O . ILE C 1 171 ? -5.390 -2.859 49.535 1.00 122.01 ? 1050 ILE C O 1 ATOM 4403 C CB . ILE C 1 171 ? -4.256 -2.179 46.746 1.00 111.42 ? 1050 ILE C CB 1 ATOM 4404 C CG1 . ILE C 1 171 ? -3.613 -1.187 45.768 1.00 106.46 ? 1050 ILE C CG1 1 ATOM 4405 C CG2 . ILE C 1 171 ? -4.762 -3.427 46.004 1.00 111.94 ? 1050 ILE C CG2 1 ATOM 4406 C CD1 . ILE C 1 171 ? -2.228 -1.586 45.261 1.00 103.40 ? 1050 ILE C CD1 1 ATOM 4407 N N . GLN C 1 172 ? -7.317 -2.840 48.330 1.00 115.63 ? 1051 GLN C N 1 ATOM 4408 C CA . GLN C 1 172 ? -8.086 -3.733 49.204 1.00 120.14 ? 1051 GLN C CA 1 ATOM 4409 C C . GLN C 1 172 ? -8.194 -5.165 48.633 1.00 125.22 ? 1051 GLN C C 1 ATOM 4410 O O . GLN C 1 172 ? -7.803 -5.415 47.489 1.00 121.33 ? 1051 GLN C O 1 ATOM 4411 C CB . GLN C 1 172 ? -9.503 -3.160 49.438 1.00 122.71 ? 1051 GLN C CB 1 ATOM 4412 C CG . GLN C 1 172 ? -9.547 -1.715 49.938 1.00 130.58 ? 1051 GLN C CG 1 ATOM 4413 C CD . GLN C 1 172 ? -10.900 -1.090 49.701 1.00 142.10 ? 1051 GLN C CD 1 ATOM 4414 O OE1 . GLN C 1 172 ? -11.686 -0.890 50.620 1.00 135.54 ? 1051 GLN C OE1 1 ATOM 4415 N NE2 . GLN C 1 172 ? -11.200 -0.743 48.458 1.00 135.11 ? 1051 GLN C NE2 1 ATOM 4416 N N . GLU C 1 173 ? -8.746 -6.093 49.445 1.00 127.35 ? 1052 GLU C N 1 ATOM 4417 C CA . GLU C 1 173 ? -9.033 -7.497 49.100 1.00 129.79 ? 1052 GLU C CA 1 ATOM 4418 C C . GLU C 1 173 ? -7.804 -8.371 48.796 1.00 134.19 ? 1052 GLU C C 1 ATOM 4419 O O . GLU C 1 173 ? -7.901 -9.292 47.982 1.00 134.49 ? 1052 GLU C O 1 ATOM 4420 C CB . GLU C 1 173 ? -10.080 -7.587 47.950 1.00 129.24 ? 1052 GLU C CB 1 ATOM 4421 C CG . GLU C 1 173 ? -11.478 -7.145 48.344 1.00 142.34 ? 1052 GLU C CG 1 ATOM 4422 C CD . GLU C 1 173 ? -12.447 -8.304 48.459 1.00 172.99 ? 1052 GLU C CD 1 ATOM 4423 O OE1 . GLU C 1 173 ? -12.621 -9.035 47.456 1.00 157.76 ? 1052 GLU C OE1 1 ATOM 4424 O OE2 . GLU C 1 173 ? -13.018 -8.500 49.558 1.00 189.42 ? 1052 GLU C OE2 1 ATOM 4425 N N . LEU C 1 174 ? -6.679 -8.137 49.484 1.00 130.93 ? 1053 LEU C N 1 ATOM 4426 C CA . LEU C 1 174 ? -5.463 -8.929 49.261 1.00 131.15 ? 1053 LEU C CA 1 ATOM 4427 C C . LEU C 1 174 ? -5.436 -10.178 50.141 1.00 141.26 ? 1053 LEU C C 1 ATOM 4428 O O . LEU C 1 174 ? -5.908 -10.130 51.280 1.00 144.90 ? 1053 LEU C O 1 ATOM 4429 C CB . LEU C 1 174 ? -4.191 -8.077 49.441 1.00 129.11 ? 1053 LEU C CB 1 ATOM 4430 C CG . LEU C 1 174 ? -4.022 -6.942 48.432 1.00 128.06 ? 1053 LEU C CG 1 ATOM 4431 C CD1 . LEU C 1 174 ? -3.373 -5.762 49.042 1.00 128.06 ? 1053 LEU C CD1 1 ATOM 4432 C CD2 . LEU C 1 174 ? -3.213 -7.368 47.278 1.00 126.48 ? 1053 LEU C CD2 1 ATOM 4433 N N . THR C 1 175 ? -4.921 -11.306 49.587 1.00 138.91 ? 1054 THR C N 1 ATOM 4434 C CA . THR C 1 175 ? -4.775 -12.594 50.276 1.00 144.65 ? 1054 THR C CA 1 ATOM 4435 C C . THR C 1 175 ? -3.810 -12.427 51.457 1.00 151.48 ? 1054 THR C C 1 ATOM 4436 O O . THR C 1 175 ? -2.759 -11.802 51.333 1.00 148.54 ? 1054 THR C O 1 ATOM 4437 C CB . THR C 1 175 ? -4.317 -13.713 49.310 1.00 152.49 ? 1054 THR C CB 1 ATOM 4438 O OG1 . THR C 1 175 ? -5.076 -13.651 48.103 1.00 145.14 ? 1054 THR C OG1 1 ATOM 4439 C CG2 . THR C 1 175 ? -4.455 -15.107 49.918 1.00 159.78 ? 1054 THR C CG2 1 ATOM 4440 N N . LEU C 1 176 ? -4.201 -12.952 52.601 1.00 153.26 ? 1055 LEU C N 1 ATOM 4441 C CA . LEU C 1 176 ? -3.433 -12.885 53.842 1.00 156.83 ? 1055 LEU C CA 1 ATOM 4442 C C . LEU C 1 176 ? -2.197 -13.786 53.815 1.00 163.60 ? 1055 LEU C C 1 ATOM 4443 O O . LEU C 1 176 ? -2.175 -14.761 53.054 1.00 163.36 ? 1055 LEU C O 1 ATOM 4444 C CB . LEU C 1 176 ? -4.342 -13.189 55.047 1.00 161.75 ? 1055 LEU C CB 1 ATOM 4445 C CG . LEU C 1 176 ? -5.597 -14.123 54.874 1.00 168.08 ? 1055 LEU C CG 1 ATOM 4446 C CD1 . LEU C 1 176 ? -6.748 -13.455 54.116 1.00 162.63 ? 1055 LEU C CD1 1 ATOM 4447 C CD2 . LEU C 1 176 ? -5.248 -15.501 54.306 1.00 173.04 ? 1055 LEU C CD2 1 ATOM 4448 N N . ASP C 1 177 ? -1.164 -13.436 54.620 1.00 164.18 ? 1056 ASP C N 1 ATOM 4449 C CA . ASP C 1 177 ? 0.113 -14.162 54.734 1.00 169.35 ? 1056 ASP C CA 1 ATOM 4450 C C . ASP C 1 177 ? 0.728 -14.483 53.356 1.00 169.32 ? 1056 ASP C C 1 ATOM 4451 O O . ASP C 1 177 ? 1.281 -15.562 53.128 1.00 172.31 ? 1056 ASP C O 1 ATOM 4452 C CB . ASP C 1 177 ? -0.042 -15.413 55.631 1.00 178.80 ? 1056 ASP C CB 1 ATOM 4453 C CG . ASP C 1 177 ? 1.252 -15.909 56.268 1.00 188.03 ? 1056 ASP C CG 1 ATOM 4454 O OD1 . ASP C 1 177 ? 2.298 -15.249 56.083 1.00 188.71 ? 1056 ASP C OD1 1 ATOM 4455 O OD2 . ASP C 1 177 ? 1.211 -16.946 56.968 1.00 189.57 ? 1056 ASP C OD2 1 ATOM 4456 N N . THR C 1 178 ? 0.603 -13.524 52.433 1.00 159.54 ? 1057 THR C N 1 ATOM 4457 C CA . THR C 1 178 ? 1.076 -13.673 51.073 1.00 155.43 ? 1057 THR C CA 1 ATOM 4458 C C . THR C 1 178 ? 2.084 -12.591 50.758 1.00 155.82 ? 1057 THR C C 1 ATOM 4459 O O . THR C 1 178 ? 1.778 -11.412 50.944 1.00 152.15 ? 1057 THR C O 1 ATOM 4460 C CB . THR C 1 178 ? -0.124 -13.648 50.090 1.00 161.45 ? 1057 THR C CB 1 ATOM 4461 O OG1 . THR C 1 178 ? -1.108 -14.594 50.508 1.00 169.87 ? 1057 THR C OG1 1 ATOM 4462 C CG2 . THR C 1 178 ? 0.274 -13.957 48.659 1.00 157.22 ? 1057 THR C CG2 1 ATOM 4463 N N . PRO C 1 179 ? 3.277 -12.964 50.240 1.00 153.60 ? 1058 PRO C N 1 ATOM 4464 C CA . PRO C 1 179 ? 4.232 -11.938 49.786 1.00 149.51 ? 1058 PRO C CA 1 ATOM 4465 C C . PRO C 1 179 ? 3.737 -11.364 48.461 1.00 144.78 ? 1058 PRO C C 1 ATOM 4466 O O . PRO C 1 179 ? 3.425 -12.117 47.532 1.00 142.40 ? 1058 PRO C O 1 ATOM 4467 C CB . PRO C 1 179 ? 5.546 -12.715 49.585 1.00 156.14 ? 1058 PRO C CB 1 ATOM 4468 C CG . PRO C 1 179 ? 5.266 -14.129 50.036 1.00 167.33 ? 1058 PRO C CG 1 ATOM 4469 C CD . PRO C 1 179 ? 3.784 -14.319 49.954 1.00 160.26 ? 1058 PRO C CD 1 ATOM 4470 N N . TYR C 1 180 ? 3.598 -10.037 48.407 1.00 137.31 ? 1059 TYR C N 1 ATOM 4471 C CA . TYR C 1 180 ? 3.177 -9.301 47.216 1.00 130.34 ? 1059 TYR C CA 1 ATOM 4472 C C . TYR C 1 180 ? 4.314 -8.442 46.703 1.00 131.11 ? 1059 TYR C C 1 ATOM 4473 O O . TYR C 1 180 ? 5.251 -8.135 47.439 1.00 132.78 ? 1059 TYR C O 1 ATOM 4474 C CB . TYR C 1 180 ? 1.938 -8.445 47.495 1.00 128.46 ? 1059 TYR C CB 1 ATOM 4475 C CG . TYR C 1 180 ? 0.642 -9.220 47.451 1.00 131.73 ? 1059 TYR C CG 1 ATOM 4476 C CD1 . TYR C 1 180 ? 0.010 -9.489 46.244 1.00 130.82 ? 1059 TYR C CD1 1 ATOM 4477 C CD2 . TYR C 1 180 ? 0.024 -9.652 48.619 1.00 136.86 ? 1059 TYR C CD2 1 ATOM 4478 C CE1 . TYR C 1 180 ? -1.203 -10.178 46.198 1.00 133.86 ? 1059 TYR C CE1 1 ATOM 4479 C CE2 . TYR C 1 180 ? -1.195 -10.331 48.586 1.00 138.58 ? 1059 TYR C CE2 1 ATOM 4480 C CZ . TYR C 1 180 ? -1.800 -10.603 47.370 1.00 141.91 ? 1059 TYR C CZ 1 ATOM 4481 O OH . TYR C 1 180 ? -3.010 -11.255 47.310 1.00 141.11 ? 1059 TYR C OH 1 ATOM 4482 N N . TYR C 1 181 ? 4.237 -8.082 45.424 1.00 123.81 ? 1060 TYR C N 1 ATOM 4483 C CA . TYR C 1 181 ? 5.237 -7.280 44.730 1.00 121.44 ? 1060 TYR C CA 1 ATOM 4484 C C . TYR C 1 181 ? 4.526 -6.123 44.085 1.00 119.95 ? 1060 TYR C C 1 ATOM 4485 O O . TYR C 1 181 ? 3.486 -6.329 43.463 1.00 117.83 ? 1060 TYR C O 1 ATOM 4486 C CB . TYR C 1 181 ? 5.979 -8.141 43.681 1.00 124.01 ? 1060 TYR C CB 1 ATOM 4487 C CG . TYR C 1 181 ? 6.750 -9.284 44.300 1.00 132.39 ? 1060 TYR C CG 1 ATOM 4488 C CD1 . TYR C 1 181 ? 8.052 -9.106 44.743 1.00 138.03 ? 1060 TYR C CD1 1 ATOM 4489 C CD2 . TYR C 1 181 ? 6.151 -10.525 44.506 1.00 136.64 ? 1060 TYR C CD2 1 ATOM 4490 C CE1 . TYR C 1 181 ? 8.754 -10.143 45.353 1.00 147.71 ? 1060 TYR C CE1 1 ATOM 4491 C CE2 . TYR C 1 181 ? 6.831 -11.562 45.139 1.00 144.30 ? 1060 TYR C CE2 1 ATOM 4492 C CZ . TYR C 1 181 ? 8.138 -11.370 45.553 1.00 158.07 ? 1060 TYR C CZ 1 ATOM 4493 O OH . TYR C 1 181 ? 8.828 -12.399 46.153 1.00 167.82 ? 1060 TYR C OH 1 ATOM 4494 N N . PHE C 1 182 ? 5.064 -4.904 44.249 1.00 114.57 ? 1061 PHE C N 1 ATOM 4495 C CA . PHE C 1 182 ? 4.461 -3.686 43.708 1.00 108.75 ? 1061 PHE C CA 1 ATOM 4496 C C . PHE C 1 182 ? 5.434 -2.870 42.916 1.00 107.47 ? 1061 PHE C C 1 ATOM 4497 O O . PHE C 1 182 ? 6.588 -2.688 43.313 1.00 109.54 ? 1061 PHE C O 1 ATOM 4498 C CB . PHE C 1 182 ? 3.913 -2.794 44.838 1.00 111.34 ? 1061 PHE C CB 1 ATOM 4499 C CG . PHE C 1 182 ? 2.917 -3.474 45.735 1.00 116.11 ? 1061 PHE C CG 1 ATOM 4500 C CD1 . PHE C 1 182 ? 3.341 -4.258 46.804 1.00 124.72 ? 1061 PHE C CD1 1 ATOM 4501 C CD2 . PHE C 1 182 ? 1.554 -3.324 45.522 1.00 116.44 ? 1061 PHE C CD2 1 ATOM 4502 C CE1 . PHE C 1 182 ? 2.418 -4.900 47.630 1.00 128.72 ? 1061 PHE C CE1 1 ATOM 4503 C CE2 . PHE C 1 182 ? 0.629 -3.973 46.342 1.00 122.79 ? 1061 PHE C CE2 1 ATOM 4504 C CZ . PHE C 1 182 ? 1.069 -4.756 47.394 1.00 125.97 ? 1061 PHE C CZ 1 ATOM 4505 N N . LYS C 1 183 ? 4.947 -2.305 41.833 1.00 97.60 ? 1062 LYS C N 1 ATOM 4506 C CA . LYS C 1 183 ? 5.721 -1.376 41.016 1.00 93.70 ? 1062 LYS C CA 1 ATOM 4507 C C . LYS C 1 183 ? 4.803 -0.321 40.409 1.00 91.24 ? 1062 LYS C C 1 ATOM 4508 O O . LYS C 1 183 ? 3.608 -0.571 40.233 1.00 91.20 ? 1062 LYS C O 1 ATOM 4509 C CB . LYS C 1 183 ? 6.665 -2.069 40.013 1.00 96.26 ? 1062 LYS C CB 1 ATOM 4510 C CG . LYS C 1 183 ? 6.015 -3.100 39.113 1.00 99.24 ? 1062 LYS C CG 1 ATOM 4511 C CD . LYS C 1 183 ? 7.097 -3.905 38.471 1.00 108.50 ? 1062 LYS C CD 1 ATOM 4512 C CE . LYS C 1 183 ? 6.554 -4.780 37.367 1.00 126.99 ? 1062 LYS C CE 1 ATOM 4513 N NZ . LYS C 1 183 ? 7.638 -5.514 36.655 1.00 146.07 ? 1062 LYS C NZ 1 ATOM 4514 N N . ILE C 1 184 ? 5.329 0.889 40.208 1.00 83.43 ? 1063 ILE C N 1 ATOM 4515 C CA . ILE C 1 184 ? 4.567 2.028 39.700 1.00 79.62 ? 1063 ILE C CA 1 ATOM 4516 C C . ILE C 1 184 ? 5.271 2.674 38.529 1.00 83.81 ? 1063 ILE C C 1 ATOM 4517 O O . ILE C 1 184 ? 6.508 2.651 38.440 1.00 87.18 ? 1063 ILE C O 1 ATOM 4518 C CB . ILE C 1 184 ? 4.319 3.084 40.819 1.00 83.73 ? 1063 ILE C CB 1 ATOM 4519 C CG1 . ILE C 1 184 ? 4.292 2.462 42.197 1.00 89.36 ? 1063 ILE C CG1 1 ATOM 4520 C CG2 . ILE C 1 184 ? 3.084 3.971 40.592 1.00 81.88 ? 1063 ILE C CG2 1 ATOM 4521 C CD1 . ILE C 1 184 ? 4.124 3.434 43.253 1.00 112.48 ? 1063 ILE C CD1 1 ATOM 4522 N N . GLN C 1 185 ? 4.475 3.246 37.617 1.00 75.60 ? 1064 GLN C N 1 ATOM 4523 C CA . GLN C 1 185 ? 4.955 4.050 36.501 1.00 71.76 ? 1064 GLN C CA 1 ATOM 4524 C C . GLN C 1 185 ? 4.132 5.325 36.443 1.00 73.09 ? 1064 GLN C C 1 ATOM 4525 O O . GLN C 1 185 ? 2.966 5.334 36.838 1.00 69.08 ? 1064 GLN C O 1 ATOM 4526 C CB . GLN C 1 185 ? 4.993 3.310 35.157 1.00 71.37 ? 1064 GLN C CB 1 ATOM 4527 C CG . GLN C 1 185 ? 3.681 2.812 34.656 1.00 71.83 ? 1064 GLN C CG 1 ATOM 4528 C CD . GLN C 1 185 ? 3.777 2.077 33.339 1.00 83.32 ? 1064 GLN C CD 1 ATOM 4529 O OE1 . GLN C 1 185 ? 2.829 1.413 32.923 1.00 84.18 ? 1064 GLN C OE1 1 ATOM 4530 N NE2 . GLN C 1 185 ? 4.867 2.225 32.598 1.00 62.60 ? 1064 GLN C NE2 1 ATOM 4531 N N . ALA C 1 186 ? 4.782 6.418 36.037 1.00 71.29 ? 1065 ALA C N 1 ATOM 4532 C CA . ALA C 1 186 ? 4.164 7.727 35.913 1.00 68.90 ? 1065 ALA C CA 1 ATOM 4533 C C . ALA C 1 186 ? 3.559 7.841 34.546 1.00 70.36 ? 1065 ALA C C 1 ATOM 4534 O O . ALA C 1 186 ? 4.020 7.180 33.610 1.00 71.14 ? 1065 ALA C O 1 ATOM 4535 C CB . ALA C 1 186 ? 5.203 8.822 36.124 1.00 69.48 ? 1065 ALA C CB 1 ATOM 4536 N N . ARG C 1 187 ? 2.551 8.698 34.431 1.00 64.33 ? 1066 ARG C N 1 ATOM 4537 C CA . ARG C 1 187 ? 1.925 8.997 33.171 1.00 64.41 ? 1066 ARG C CA 1 ATOM 4538 C C . ARG C 1 187 ? 1.936 10.518 32.987 1.00 72.46 ? 1066 ARG C C 1 ATOM 4539 O O . ARG C 1 187 ? 1.697 11.275 33.931 1.00 73.63 ? 1066 ARG C O 1 ATOM 4540 C CB . ARG C 1 187 ? 0.430 8.558 33.129 1.00 63.42 ? 1066 ARG C CB 1 ATOM 4541 C CG . ARG C 1 187 ? -0.032 7.212 33.607 1.00 63.11 ? 1066 ARG C CG 1 ATOM 4542 C CD . ARG C 1 187 ? -1.206 6.837 32.728 1.00 74.58 ? 1066 ARG C CD 1 ATOM 4543 N NE . ARG C 1 187 ? -2.320 7.738 32.959 1.00 99.41 ? 1066 ARG C NE 1 ATOM 4544 C CZ . ARG C 1 187 ? -3.319 7.928 32.114 1.00 117.21 ? 1066 ARG C CZ 1 ATOM 4545 N NH1 . ARG C 1 187 ? -3.334 7.308 30.943 1.00 97.55 ? 1066 ARG C NH1 1 ATOM 4546 N NH2 . ARG C 1 187 ? -4.294 8.776 32.414 1.00 108.05 ? 1066 ARG C NH2 1 ATOM 4547 N N . ASN C 1 188 ? 2.149 10.957 31.755 1.00 70.99 ? 1067 ASN C N 1 ATOM 4548 C CA . ASN C 1 188 ? 1.951 12.350 31.391 1.00 70.74 ? 1067 ASN C CA 1 ATOM 4549 C C . ASN C 1 188 ? 1.096 12.404 30.112 1.00 75.82 ? 1067 ASN C C 1 ATOM 4550 O O . ASN C 1 188 ? 0.686 11.342 29.622 1.00 75.44 ? 1067 ASN C O 1 ATOM 4551 C CB . ASN C 1 188 ? 3.227 13.213 31.393 1.00 57.69 ? 1067 ASN C CB 1 ATOM 4552 C CG . ASN C 1 188 ? 4.228 13.006 30.298 1.00 76.83 ? 1067 ASN C CG 1 ATOM 4553 O OD1 . ASN C 1 188 ? 3.941 12.513 29.215 1.00 81.63 ? 1067 ASN C OD1 1 ATOM 4554 N ND2 . ASN C 1 188 ? 5.440 13.459 30.541 1.00 72.93 ? 1067 ASN C ND2 1 ATOM 4555 N N . SER C 1 189 ? 0.804 13.616 29.599 1.00 72.50 ? 1068 SER C N 1 ATOM 4556 C CA . SER C 1 189 ? 0.030 13.808 28.385 1.00 72.91 ? 1068 SER C CA 1 ATOM 4557 C C . SER C 1 189 ? 0.562 12.994 27.195 1.00 76.24 ? 1068 SER C C 1 ATOM 4558 O O . SER C 1 189 ? -0.194 12.750 26.265 1.00 78.39 ? 1068 SER C O 1 ATOM 4559 C CB . SER C 1 189 ? -0.007 15.289 28.028 1.00 79.74 ? 1068 SER C CB 1 ATOM 4560 O OG . SER C 1 189 ? 1.212 15.728 27.449 1.00 97.17 ? 1068 SER C OG 1 ATOM 4561 N N . LYS C 1 190 ? 1.852 12.576 27.231 1.00 71.54 ? 1069 LYS C N 1 ATOM 4562 C CA . LYS C 1 190 ? 2.534 11.870 26.144 1.00 70.66 ? 1069 LYS C CA 1 ATOM 4563 C C . LYS C 1 190 ? 2.571 10.355 26.291 1.00 75.06 ? 1069 LYS C C 1 ATOM 4564 O O . LYS C 1 190 ? 2.726 9.663 25.298 1.00 75.98 ? 1069 LYS C O 1 ATOM 4565 C CB . LYS C 1 190 ? 3.936 12.469 25.894 1.00 72.38 ? 1069 LYS C CB 1 ATOM 4566 C CG . LYS C 1 190 ? 3.950 13.969 25.633 1.00 73.27 ? 1069 LYS C CG 1 ATOM 4567 C CD . LYS C 1 190 ? 3.681 14.314 24.188 1.00 83.25 ? 1069 LYS C CD 1 ATOM 4568 C CE . LYS C 1 190 ? 3.597 15.797 23.934 1.00 100.84 ? 1069 LYS C CE 1 ATOM 4569 N NZ . LYS C 1 190 ? 4.206 16.192 22.608 1.00 118.71 ? 1069 LYS C NZ 1 ATOM 4570 N N . GLY C 1 191 ? 2.418 9.841 27.500 1.00 72.40 ? 1070 GLY C N 1 ATOM 4571 C CA . GLY C 1 191 ? 2.447 8.404 27.701 1.00 72.96 ? 1070 GLY C CA 1 ATOM 4572 C C . GLY C 1 191 ? 3.027 7.960 29.019 1.00 80.04 ? 1070 GLY C C 1 ATOM 4573 O O . GLY C 1 191 ? 3.123 8.742 29.967 1.00 78.97 ? 1070 GLY C O 1 ATOM 4574 N N . MET C 1 192 ? 3.379 6.667 29.079 1.00 79.75 ? 1071 MET C N 1 ATOM 4575 C CA . MET C 1 192 ? 3.904 5.977 30.249 1.00 80.03 ? 1071 MET C CA 1 ATOM 4576 C C . MET C 1 192 ? 5.408 6.125 30.338 1.00 81.48 ? 1071 MET C C 1 ATOM 4577 O O . MET C 1 192 ? 6.114 6.002 29.339 1.00 82.35 ? 1071 MET C O 1 ATOM 4578 C CB . MET C 1 192 ? 3.617 4.458 30.166 1.00 84.61 ? 1071 MET C CB 1 ATOM 4579 C CG . MET C 1 192 ? 2.163 4.041 30.046 1.00 89.86 ? 1071 MET C CG 1 ATOM 4580 S SD . MET C 1 192 ? 1.051 5.003 31.039 1.00 95.96 ? 1071 MET C SD 1 ATOM 4581 C CE . MET C 1 192 ? 1.471 4.495 32.650 1.00 94.20 ? 1071 MET C CE 1 ATOM 4582 N N . GLY C 1 193 ? 5.894 6.321 31.544 1.00 75.50 ? 1072 GLY C N 1 ATOM 4583 C CA . GLY C 1 193 ? 7.323 6.385 31.784 1.00 76.31 ? 1072 GLY C CA 1 ATOM 4584 C C . GLY C 1 193 ? 7.843 5.042 32.278 1.00 79.16 ? 1072 GLY C C 1 ATOM 4585 O O . GLY C 1 193 ? 7.087 4.061 32.292 1.00 78.17 ? 1072 GLY C O 1 ATOM 4586 N N . PRO C 1 194 ? 9.126 4.937 32.704 1.00 74.02 ? 1073 PRO C N 1 ATOM 4587 C CA . PRO C 1 194 ? 9.606 3.646 33.223 1.00 75.98 ? 1073 PRO C CA 1 ATOM 4588 C C . PRO C 1 194 ? 8.984 3.298 34.575 1.00 83.42 ? 1073 PRO C C 1 ATOM 4589 O O . PRO C 1 194 ? 8.375 4.170 35.220 1.00 82.93 ? 1073 PRO C O 1 ATOM 4590 C CB . PRO C 1 194 ? 11.113 3.828 33.318 1.00 79.07 ? 1073 PRO C CB 1 ATOM 4591 C CG . PRO C 1 194 ? 11.304 5.259 33.440 1.00 81.63 ? 1073 PRO C CG 1 ATOM 4592 C CD . PRO C 1 194 ? 10.181 5.963 32.754 1.00 74.25 ? 1073 PRO C CD 1 ATOM 4593 N N . MET C 1 195 ? 9.123 2.019 34.984 1.00 82.39 ? 1074 MET C N 1 ATOM 4594 C CA . MET C 1 195 ? 8.601 1.487 36.239 1.00 83.73 ? 1074 MET C CA 1 ATOM 4595 C C . MET C 1 195 ? 9.633 1.544 37.319 1.00 93.34 ? 1074 MET C C 1 ATOM 4596 O O . MET C 1 195 ? 10.843 1.432 37.067 1.00 95.63 ? 1074 MET C O 1 ATOM 4597 C CB . MET C 1 195 ? 8.229 0.012 36.116 1.00 88.15 ? 1074 MET C CB 1 ATOM 4598 C CG . MET C 1 195 ? 7.418 -0.308 34.974 1.00 91.20 ? 1074 MET C CG 1 ATOM 4599 S SD . MET C 1 195 ? 5.822 -0.808 35.573 1.00 96.12 ? 1074 MET C SD 1 ATOM 4600 C CE . MET C 1 195 ? 5.241 -1.729 34.083 1.00 93.58 ? 1074 MET C CE 1 ATOM 4601 N N . SER C 1 196 ? 9.135 1.590 38.552 1.00 91.50 ? 1075 SER C N 1 ATOM 4602 C CA . SER C 1 196 ? 9.957 1.544 39.736 1.00 94.65 ? 1075 SER C CA 1 ATOM 4603 C C . SER C 1 196 ? 10.454 0.089 39.915 1.00 100.28 ? 1075 SER C C 1 ATOM 4604 O O . SER C 1 196 ? 9.928 -0.836 39.278 1.00 99.27 ? 1075 SER C O 1 ATOM 4605 C CB . SER C 1 196 ? 9.110 1.967 40.934 1.00 97.40 ? 1075 SER C CB 1 ATOM 4606 O OG . SER C 1 196 ? 8.217 0.934 41.333 1.00 103.96 ? 1075 SER C OG 1 ATOM 4607 N N . GLU C 1 197 ? 11.459 -0.103 40.777 1.00 99.89 ? 1076 GLU C N 1 ATOM 4608 C CA . GLU C 1 197 ? 11.944 -1.439 41.157 1.00 104.17 ? 1076 GLU C CA 1 ATOM 4609 C C . GLU C 1 197 ? 10.821 -2.014 42.021 1.00 108.78 ? 1076 GLU C C 1 ATOM 4610 O O . GLU C 1 197 ? 10.263 -1.274 42.852 1.00 107.67 ? 1076 GLU C O 1 ATOM 4611 C CB . GLU C 1 197 ? 13.219 -1.329 42.038 1.00 110.45 ? 1076 GLU C CB 1 ATOM 4612 C CG . GLU C 1 197 ? 14.285 -2.390 41.810 1.00 122.26 ? 1076 GLU C CG 1 ATOM 4613 C CD . GLU C 1 197 ? 15.293 -2.034 40.737 1.00 146.51 ? 1076 GLU C CD 1 ATOM 4614 O OE1 . GLU C 1 197 ? 16.324 -1.392 41.048 1.00 140.96 ? 1076 GLU C OE1 1 ATOM 4615 O OE2 . GLU C 1 197 ? 15.063 -2.434 39.576 1.00 153.76 ? 1076 GLU C OE2 1 ATOM 4616 N N . ALA C 1 198 ? 10.461 -3.299 41.804 1.00 107.29 ? 1077 ALA C N 1 ATOM 4617 C CA . ALA C 1 198 ? 9.403 -3.950 42.592 1.00 108.09 ? 1077 ALA C CA 1 ATOM 4618 C C . ALA C 1 198 ? 9.735 -3.916 44.074 1.00 117.13 ? 1077 ALA C C 1 ATOM 4619 O O . ALA C 1 198 ? 10.864 -4.200 44.470 1.00 121.43 ? 1077 ALA C O 1 ATOM 4620 C CB . ALA C 1 198 ? 9.164 -5.388 42.139 1.00 110.65 ? 1077 ALA C CB 1 ATOM 4621 N N . VAL C 1 199 ? 8.764 -3.489 44.871 1.00 113.67 ? 1078 VAL C N 1 ATOM 4622 C CA . VAL C 1 199 ? 8.857 -3.425 46.321 1.00 118.07 ? 1078 VAL C CA 1 ATOM 4623 C C . VAL C 1 199 ? 8.096 -4.659 46.827 1.00 124.00 ? 1078 VAL C C 1 ATOM 4624 O O . VAL C 1 199 ? 6.969 -4.908 46.391 1.00 120.76 ? 1078 VAL C O 1 ATOM 4625 C CB . VAL C 1 199 ? 8.273 -2.079 46.854 1.00 120.15 ? 1078 VAL C CB 1 ATOM 4626 C CG1 . VAL C 1 199 ? 7.968 -2.137 48.349 1.00 124.66 ? 1078 VAL C CG1 1 ATOM 4627 C CG2 . VAL C 1 199 ? 9.202 -0.915 46.546 1.00 118.84 ? 1078 VAL C CG2 1 ATOM 4628 N N . GLN C 1 200 ? 8.727 -5.447 47.702 1.00 126.27 ? 1079 GLN C N 1 ATOM 4629 C CA . GLN C 1 200 ? 8.077 -6.618 48.272 1.00 129.32 ? 1079 GLN C CA 1 ATOM 4630 C C . GLN C 1 200 ? 7.419 -6.287 49.608 1.00 135.28 ? 1079 GLN C C 1 ATOM 4631 O O . GLN C 1 200 ? 7.994 -5.580 50.441 1.00 135.81 ? 1079 GLN C O 1 ATOM 4632 C CB . GLN C 1 200 ? 9.040 -7.796 48.416 1.00 136.85 ? 1079 GLN C CB 1 ATOM 4633 C CG . GLN C 1 200 ? 8.322 -9.109 48.760 1.00 156.74 ? 1079 GLN C CG 1 ATOM 4634 C CD . GLN C 1 200 ? 9.214 -10.307 49.001 1.00 181.53 ? 1079 GLN C CD 1 ATOM 4635 O OE1 . GLN C 1 200 ? 8.720 -11.398 49.315 1.00 181.58 ? 1079 GLN C OE1 1 ATOM 4636 N NE2 . GLN C 1 200 ? 10.535 -10.155 48.849 1.00 171.50 ? 1079 GLN C NE2 1 ATOM 4637 N N . PHE C 1 201 ? 6.193 -6.799 49.790 1.00 133.11 ? 1080 PHE C N 1 ATOM 4638 C CA . PHE C 1 201 ? 5.417 -6.653 51.013 1.00 135.84 ? 1080 PHE C CA 1 ATOM 4639 C C . PHE C 1 201 ? 4.614 -7.917 51.285 1.00 140.99 ? 1080 PHE C C 1 ATOM 4640 O O . PHE C 1 201 ? 3.856 -8.369 50.429 1.00 137.33 ? 1080 PHE C O 1 ATOM 4641 C CB . PHE C 1 201 ? 4.505 -5.414 50.985 1.00 133.59 ? 1080 PHE C CB 1 ATOM 4642 C CG . PHE C 1 201 ? 3.821 -5.166 52.307 1.00 139.62 ? 1080 PHE C CG 1 ATOM 4643 C CD1 . PHE C 1 201 ? 4.455 -4.448 53.309 1.00 147.40 ? 1080 PHE C CD1 1 ATOM 4644 C CD2 . PHE C 1 201 ? 2.546 -5.671 52.557 1.00 142.80 ? 1080 PHE C CD2 1 ATOM 4645 C CE1 . PHE C 1 201 ? 3.832 -4.246 54.543 1.00 153.08 ? 1080 PHE C CE1 1 ATOM 4646 C CE2 . PHE C 1 201 ? 1.925 -5.472 53.789 1.00 150.33 ? 1080 PHE C CE2 1 ATOM 4647 C CZ . PHE C 1 201 ? 2.570 -4.758 54.774 1.00 152.54 ? 1080 PHE C CZ 1 ATOM 4648 N N . ARG C 1 202 ? 4.769 -8.474 52.482 1.00 143.19 ? 1081 ARG C N 1 ATOM 4649 C CA . ARG C 1 202 ? 4.014 -9.646 52.864 1.00 146.12 ? 1081 ARG C CA 1 ATOM 4650 C C . ARG C 1 202 ? 2.877 -9.226 53.786 1.00 150.25 ? 1081 ARG C C 1 ATOM 4651 O O . ARG C 1 202 ? 3.118 -8.694 54.876 1.00 153.01 ? 1081 ARG C O 1 ATOM 4652 C CB . ARG C 1 202 ? 4.914 -10.686 53.529 1.00 154.18 ? 1081 ARG C CB 1 ATOM 4653 C CG . ARG C 1 202 ? 4.193 -12.003 53.749 1.00 168.08 ? 1081 ARG C CG 1 ATOM 4654 C CD . ARG C 1 202 ? 4.888 -12.883 54.752 1.00 177.16 ? 1081 ARG C CD 1 ATOM 4655 N NE . ARG C 1 202 ? 4.373 -14.242 54.648 1.00 179.68 ? 1081 ARG C NE 1 ATOM 4656 C CZ . ARG C 1 202 ? 4.952 -15.210 53.948 1.00 185.03 ? 1081 ARG C CZ 1 ATOM 4657 N NH1 . ARG C 1 202 ? 6.099 -14.988 53.314 1.00 168.82 ? 1081 ARG C NH1 1 ATOM 4658 N NH2 . ARG C 1 202 ? 4.397 -16.412 53.890 1.00 180.62 ? 1081 ARG C NH2 1 ATOM 4659 N N . THR C 1 203 ? 1.641 -9.483 53.349 1.00 144.68 ? 1082 THR C N 1 ATOM 4660 C CA . THR C 1 203 ? 0.432 -9.176 54.111 1.00 146.62 ? 1082 THR C CA 1 ATOM 4661 C C . THR C 1 203 ? 0.422 -9.945 55.439 1.00 160.36 ? 1082 THR C C 1 ATOM 4662 O O . THR C 1 203 ? 0.857 -11.101 55.468 1.00 164.13 ? 1082 THR C O 1 ATOM 4663 C CB . THR C 1 203 ? -0.834 -9.539 53.313 1.00 154.06 ? 1082 THR C CB 1 ATOM 4664 O OG1 . THR C 1 203 ? -0.717 -10.876 52.813 1.00 156.69 ? 1082 THR C OG1 1 ATOM 4665 C CG2 . THR C 1 203 ? -1.111 -8.570 52.189 1.00 145.64 ? 1082 THR C CG2 1 ATOM 4666 N N . PRO C 1 204 ? -0.073 -9.339 56.546 1.00 160.56 ? 1083 PRO C N 1 ATOM 4667 C CA . PRO C 1 204 ? -0.136 -10.078 57.822 1.00 172.22 ? 1083 PRO C CA 1 ATOM 4668 C C . PRO C 1 204 ? -1.057 -11.309 57.774 1.00 189.38 ? 1083 PRO C C 1 ATOM 4669 O O . PRO C 1 204 ? -1.793 -11.531 56.804 1.00 136.96 ? 1083 PRO C O 1 ATOM 4670 C CB . PRO C 1 204 ? -0.667 -9.033 58.808 1.00 175.11 ? 1083 PRO C CB 1 ATOM 4671 C CG . PRO C 1 204 ? -1.360 -8.022 57.971 1.00 170.93 ? 1083 PRO C CG 1 ATOM 4672 C CD . PRO C 1 204 ? -0.611 -7.969 56.687 1.00 160.02 ? 1083 PRO C CD 1 ATOM 4673 N N . THR D 1 4 ? -4.278 -43.002 15.115 1.00 114.08 ? 883 THR D N 1 ATOM 4674 C CA . THR D 1 4 ? -2.970 -43.612 15.417 1.00 114.28 ? 883 THR D CA 1 ATOM 4675 C C . THR D 1 4 ? -1.895 -42.543 15.809 1.00 115.77 ? 883 THR D C 1 ATOM 4676 O O . THR D 1 4 ? -2.180 -41.340 15.674 1.00 116.36 ? 883 THR D O 1 ATOM 4677 C CB . THR D 1 4 ? -2.529 -44.638 14.323 1.00 130.56 ? 883 THR D CB 1 ATOM 4678 O OG1 . THR D 1 4 ? -2.206 -43.974 13.097 1.00 133.74 ? 883 THR D OG1 1 ATOM 4679 C CG2 . THR D 1 4 ? -3.556 -45.759 14.094 1.00 131.43 ? 883 THR D CG2 1 ATOM 4680 N N . PRO D 1 5 ? -0.676 -42.909 16.316 1.00 145.18 ? 884 PRO D N 1 ATOM 4681 C CA . PRO D 1 5 ? 0.267 -41.853 16.713 1.00 138.08 ? 884 PRO D CA 1 ATOM 4682 C C . PRO D 1 5 ? 1.084 -41.284 15.562 1.00 131.42 ? 884 PRO D C 1 ATOM 4683 O O . PRO D 1 5 ? 1.698 -42.020 14.784 1.00 132.69 ? 884 PRO D O 1 ATOM 4684 C CB . PRO D 1 5 ? 1.129 -42.518 17.791 1.00 143.40 ? 884 PRO D CB 1 ATOM 4685 C CG . PRO D 1 5 ? 1.114 -43.960 17.444 1.00 154.87 ? 884 PRO D CG 1 ATOM 4686 C CD . PRO D 1 5 ? -0.114 -44.249 16.602 1.00 151.90 ? 884 PRO D CD 1 ATOM 4687 N N . MET D 1 6 ? 1.076 -39.955 15.464 1.00 118.86 ? 885 MET D N 1 ATOM 4688 C CA . MET D 1 6 ? 1.832 -39.235 14.457 1.00 114.57 ? 885 MET D CA 1 ATOM 4689 C C . MET D 1 6 ? 3.299 -39.192 14.846 1.00 121.19 ? 885 MET D C 1 ATOM 4690 O O . MET D 1 6 ? 3.633 -39.218 16.036 1.00 122.00 ? 885 MET D O 1 ATOM 4691 C CB . MET D 1 6 ? 1.283 -37.819 14.289 1.00 111.65 ? 885 MET D CB 1 ATOM 4692 C CG . MET D 1 6 ? -0.033 -37.764 13.536 1.00 114.64 ? 885 MET D CG 1 ATOM 4693 S SD . MET D 1 6 ? -0.553 -36.098 13.039 1.00 113.84 ? 885 MET D SD 1 ATOM 4694 C CE . MET D 1 6 ? 0.608 -35.771 11.689 1.00 108.99 ? 885 MET D CE 1 ATOM 4695 N N . MET D 1 7 ? 4.178 -39.140 13.843 1.00 119.18 ? 886 MET D N 1 ATOM 4696 C CA . MET D 1 7 ? 5.621 -39.064 14.057 1.00 119.88 ? 886 MET D CA 1 ATOM 4697 C C . MET D 1 7 ? 6.005 -37.645 14.528 1.00 117.19 ? 886 MET D C 1 ATOM 4698 O O . MET D 1 7 ? 5.643 -36.673 13.847 1.00 114.03 ? 886 MET D O 1 ATOM 4699 C CB . MET D 1 7 ? 6.355 -39.384 12.757 1.00 124.49 ? 886 MET D CB 1 ATOM 4700 C CG . MET D 1 7 ? 6.813 -40.800 12.637 1.00 134.28 ? 886 MET D CG 1 ATOM 4701 S SD . MET D 1 7 ? 8.186 -40.816 11.451 1.00 140.95 ? 886 MET D SD 1 ATOM 4702 C CE . MET D 1 7 ? 9.518 -40.059 12.443 1.00 135.72 ? 886 MET D CE 1 ATOM 4703 N N . PRO D 1 8 ? 6.709 -37.493 15.681 1.00 111.11 ? 887 PRO D N 1 ATOM 4704 C CA . PRO D 1 8 ? 7.077 -36.142 16.134 1.00 105.86 ? 887 PRO D CA 1 ATOM 4705 C C . PRO D 1 8 ? 8.100 -35.460 15.219 1.00 105.96 ? 887 PRO D C 1 ATOM 4706 O O . PRO D 1 8 ? 8.913 -36.163 14.608 1.00 110.78 ? 887 PRO D O 1 ATOM 4707 C CB . PRO D 1 8 ? 7.640 -36.377 17.540 1.00 108.81 ? 887 PRO D CB 1 ATOM 4708 C CG . PRO D 1 8 ? 8.134 -37.758 17.523 1.00 118.36 ? 887 PRO D CG 1 ATOM 4709 C CD . PRO D 1 8 ? 7.215 -38.523 16.611 1.00 116.17 ? 887 PRO D CD 1 ATOM 4710 N N . PRO D 1 9 ? 8.097 -34.107 15.118 1.00 92.74 ? 888 PRO D N 1 ATOM 4711 C CA . PRO D 1 9 ? 9.093 -33.429 14.280 1.00 90.01 ? 888 PRO D CA 1 ATOM 4712 C C . PRO D 1 9 ? 10.547 -33.732 14.672 1.00 94.17 ? 888 PRO D C 1 ATOM 4713 O O . PRO D 1 9 ? 10.814 -34.171 15.796 1.00 94.51 ? 888 PRO D O 1 ATOM 4714 C CB . PRO D 1 9 ? 8.742 -31.953 14.461 1.00 87.42 ? 888 PRO D CB 1 ATOM 4715 C CG . PRO D 1 9 ? 7.310 -31.955 14.837 1.00 90.41 ? 888 PRO D CG 1 ATOM 4716 C CD . PRO D 1 9 ? 7.182 -33.129 15.736 1.00 89.43 ? 888 PRO D CD 1 ATOM 4717 N N . VAL D 1 10 ? 11.479 -33.551 13.718 1.00 91.10 ? 889 VAL D N 1 ATOM 4718 C CA . VAL D 1 10 ? 12.920 -33.803 13.900 1.00 93.30 ? 889 VAL D CA 1 ATOM 4719 C C . VAL D 1 10 ? 13.736 -32.592 13.443 1.00 94.69 ? 889 VAL D C 1 ATOM 4720 O O . VAL D 1 10 ? 13.160 -31.656 12.878 1.00 92.67 ? 889 VAL D O 1 ATOM 4721 C CB . VAL D 1 10 ? 13.396 -35.094 13.174 1.00 102.48 ? 889 VAL D CB 1 ATOM 4722 C CG1 . VAL D 1 10 ? 12.858 -36.351 13.849 1.00 105.03 ? 889 VAL D CG1 1 ATOM 4723 C CG2 . VAL D 1 10 ? 13.049 -35.072 11.680 1.00 103.08 ? 889 VAL D CG2 1 ATOM 4724 N N . GLY D 1 11 ? 15.058 -32.641 13.653 1.00 90.63 ? 890 GLY D N 1 ATOM 4725 C CA . GLY D 1 11 ? 16.000 -31.608 13.224 1.00 88.52 ? 890 GLY D CA 1 ATOM 4726 C C . GLY D 1 11 ? 15.657 -30.209 13.674 1.00 83.98 ? 890 GLY D C 1 ATOM 4727 O O . GLY D 1 11 ? 15.799 -29.243 12.911 1.00 81.81 ? 890 GLY D O 1 ATOM 4728 N N . VAL D 1 12 ? 15.184 -30.117 14.928 1.00 77.03 ? 891 VAL D N 1 ATOM 4729 C CA . VAL D 1 12 ? 14.788 -28.871 15.582 1.00 72.24 ? 891 VAL D CA 1 ATOM 4730 C C . VAL D 1 12 ? 16.024 -28.006 15.856 1.00 76.54 ? 891 VAL D C 1 ATOM 4731 O O . VAL D 1 12 ? 16.992 -28.461 16.470 1.00 78.29 ? 891 VAL D O 1 ATOM 4732 C CB . VAL D 1 12 ? 13.928 -29.101 16.852 1.00 73.56 ? 891 VAL D CB 1 ATOM 4733 C CG1 . VAL D 1 12 ? 13.354 -27.786 17.372 1.00 69.34 ? 891 VAL D CG1 1 ATOM 4734 C CG2 . VAL D 1 12 ? 12.808 -30.104 16.583 1.00 74.09 ? 891 VAL D CG2 1 ATOM 4735 N N . GLN D 1 13 ? 16.007 -26.776 15.358 1.00 71.15 ? 892 GLN D N 1 ATOM 4736 C CA . GLN D 1 13 ? 17.124 -25.866 15.563 1.00 70.29 ? 892 GLN D CA 1 ATOM 4737 C C . GLN D 1 13 ? 16.631 -24.524 16.024 1.00 74.19 ? 892 GLN D C 1 ATOM 4738 O O . GLN D 1 13 ? 15.515 -24.119 15.674 1.00 72.89 ? 892 GLN D O 1 ATOM 4739 C CB . GLN D 1 13 ? 17.958 -25.693 14.299 1.00 73.07 ? 892 GLN D CB 1 ATOM 4740 C CG . GLN D 1 13 ? 18.809 -26.891 13.972 1.00 81.02 ? 892 GLN D CG 1 ATOM 4741 C CD . GLN D 1 13 ? 19.619 -26.619 12.744 1.00 97.14 ? 892 GLN D CD 1 ATOM 4742 O OE1 . GLN D 1 13 ? 19.349 -27.150 11.660 1.00 94.10 ? 892 GLN D OE1 1 ATOM 4743 N N . ALA D 1 14 ? 17.469 -23.835 16.834 1.00 70.41 ? 893 ALA D N 1 ATOM 4744 C CA . ALA D 1 14 ? 17.212 -22.486 17.315 1.00 66.79 ? 893 ALA D CA 1 ATOM 4745 C C . ALA D 1 14 ? 18.241 -21.562 16.686 1.00 72.77 ? 893 ALA D C 1 ATOM 4746 O O . ALA D 1 14 ? 19.415 -21.908 16.639 1.00 75.36 ? 893 ALA D O 1 ATOM 4747 C CB . ALA D 1 14 ? 17.308 -22.440 18.812 1.00 66.49 ? 893 ALA D CB 1 ATOM 4748 N N . SER D 1 15 ? 17.789 -20.449 16.099 1.00 69.36 ? 894 SER D N 1 ATOM 4749 C CA . SER D 1 15 ? 18.650 -19.448 15.490 1.00 71.20 ? 894 SER D CA 1 ATOM 4750 C C . SER D 1 15 ? 18.389 -18.165 16.237 1.00 71.42 ? 894 SER D C 1 ATOM 4751 O O . SER D 1 15 ? 17.254 -17.681 16.256 1.00 70.42 ? 894 SER D O 1 ATOM 4752 C CB . SER D 1 15 ? 18.326 -19.266 14.014 1.00 79.78 ? 894 SER D CB 1 ATOM 4753 O OG . SER D 1 15 ? 19.331 -18.458 13.422 1.00 97.09 ? 894 SER D OG 1 ATOM 4754 N N . ILE D 1 16 ? 19.414 -17.642 16.902 1.00 66.70 ? 895 ILE D N 1 ATOM 4755 C CA . ILE D 1 16 ? 19.294 -16.432 17.709 1.00 65.07 ? 895 ILE D CA 1 ATOM 4756 C C . ILE D 1 16 ? 19.335 -15.199 16.835 1.00 69.73 ? 895 ILE D C 1 ATOM 4757 O O . ILE D 1 16 ? 20.274 -15.003 16.042 1.00 73.15 ? 895 ILE D O 1 ATOM 4758 C CB . ILE D 1 16 ? 20.304 -16.373 18.869 1.00 69.21 ? 895 ILE D CB 1 ATOM 4759 C CG1 . ILE D 1 16 ? 20.640 -17.756 19.486 1.00 70.16 ? 895 ILE D CG1 1 ATOM 4760 C CG2 . ILE D 1 16 ? 19.850 -15.378 19.910 1.00 70.80 ? 895 ILE D CG2 1 ATOM 4761 C CD1 . ILE D 1 16 ? 19.462 -18.595 20.032 1.00 79.63 ? 895 ILE D CD1 1 ATOM 4762 N N . LEU D 1 17 ? 18.307 -14.366 16.986 1.00 63.00 ? 896 LEU D N 1 ATOM 4763 C CA . LEU D 1 17 ? 18.145 -13.164 16.182 1.00 62.28 ? 896 LEU D CA 1 ATOM 4764 C C . LEU D 1 17 ? 18.328 -11.880 16.935 1.00 63.95 ? 896 LEU D C 1 ATOM 4765 O O . LEU D 1 17 ? 18.879 -10.930 16.378 1.00 67.71 ? 896 LEU D O 1 ATOM 4766 C CB . LEU D 1 17 ? 16.821 -13.176 15.416 1.00 60.72 ? 896 LEU D CB 1 ATOM 4767 C CG . LEU D 1 17 ? 16.647 -14.327 14.442 1.00 64.12 ? 896 LEU D CG 1 ATOM 4768 C CD1 . LEU D 1 17 ? 15.271 -14.316 13.893 1.00 65.83 ? 896 LEU D CD1 1 ATOM 4769 C CD2 . LEU D 1 17 ? 17.667 -14.318 13.338 1.00 61.46 ? 896 LEU D CD2 1 ATOM 4770 N N . SER D 1 18 ? 17.845 -11.823 18.160 1.00 57.22 ? 897 SER D N 1 ATOM 4771 C CA . SER D 1 18 ? 17.966 -10.628 18.985 1.00 59.08 ? 897 SER D CA 1 ATOM 4772 C C . SER D 1 18 ? 17.998 -11.018 20.454 1.00 62.72 ? 897 SER D C 1 ATOM 4773 O O . SER D 1 18 ? 18.144 -12.204 20.780 1.00 61.06 ? 897 SER D O 1 ATOM 4774 C CB . SER D 1 18 ? 16.833 -9.636 18.692 1.00 62.39 ? 897 SER D CB 1 ATOM 4775 O OG . SER D 1 18 ? 15.573 -10.051 19.182 1.00 68.90 ? 897 SER D OG 1 ATOM 4776 N N . HIS D 1 19 ? 17.843 -10.016 21.332 1.00 59.18 ? 898 HIS D N 1 ATOM 4777 C CA . HIS D 1 19 ? 17.738 -10.204 22.770 1.00 57.48 ? 898 HIS D CA 1 ATOM 4778 C C . HIS D 1 19 ? 16.341 -10.742 23.150 1.00 67.66 ? 898 HIS D C 1 ATOM 4779 O O . HIS D 1 19 ? 16.122 -11.125 24.300 1.00 71.05 ? 898 HIS D O 1 ATOM 4780 C CB . HIS D 1 19 ? 17.935 -8.866 23.457 1.00 59.04 ? 898 HIS D CB 1 ATOM 4781 C CG . HIS D 1 19 ? 16.966 -7.832 23.036 1.00 63.27 ? 898 HIS D CG 1 ATOM 4782 N ND1 . HIS D 1 19 ? 17.226 -7.010 21.956 1.00 67.08 ? 898 HIS D ND1 1 ATOM 4783 C CD2 . HIS D 1 19 ? 15.743 -7.549 23.533 1.00 65.83 ? 898 HIS D CD2 1 ATOM 4784 C CE1 . HIS D 1 19 ? 16.163 -6.232 21.830 1.00 68.51 ? 898 HIS D CE1 1 ATOM 4785 N NE2 . HIS D 1 19 ? 15.228 -6.529 22.740 1.00 68.14 ? 898 HIS D NE2 1 ATOM 4786 N N . ASP D 1 20 ? 15.386 -10.749 22.201 1.00 62.39 ? 899 ASP D N 1 ATOM 4787 C CA . ASP D 1 20 ? 14.028 -11.188 22.468 1.00 60.47 ? 899 ASP D CA 1 ATOM 4788 C C . ASP D 1 20 ? 13.481 -12.120 21.402 1.00 63.13 ? 899 ASP D C 1 ATOM 4789 O O . ASP D 1 20 ? 12.361 -12.574 21.536 1.00 63.01 ? 899 ASP D O 1 ATOM 4790 C CB . ASP D 1 20 ? 13.102 -9.972 22.672 1.00 63.51 ? 899 ASP D CB 1 ATOM 4791 C CG . ASP D 1 20 ? 12.713 -9.190 21.437 1.00 77.76 ? 899 ASP D CG 1 ATOM 4792 O OD1 . ASP D 1 20 ? 13.621 -8.784 20.671 1.00 77.81 ? 899 ASP D OD1 1 ATOM 4793 O OD2 . ASP D 1 20 ? 11.512 -8.899 21.284 1.00 95.79 ? 899 ASP D OD2 1 ATOM 4794 N N . THR D 1 21 ? 14.266 -12.432 20.375 1.00 59.80 ? 900 THR D N 1 ATOM 4795 C CA . THR D 1 21 ? 13.834 -13.266 19.259 1.00 59.71 ? 900 THR D CA 1 ATOM 4796 C C . THR D 1 21 ? 14.760 -14.442 18.924 1.00 65.21 ? 900 THR D C 1 ATOM 4797 O O . THR D 1 21 ? 15.977 -14.281 18.761 1.00 67.93 ? 900 THR D O 1 ATOM 4798 C CB . THR D 1 21 ? 13.497 -12.390 18.031 1.00 74.75 ? 900 THR D CB 1 ATOM 4799 O OG1 . THR D 1 21 ? 12.499 -11.448 18.408 1.00 81.50 ? 900 THR D OG1 1 ATOM 4800 C CG2 . THR D 1 21 ? 12.978 -13.197 16.840 1.00 79.85 ? 900 THR D CG2 1 ATOM 4801 N N . ILE D 1 22 ? 14.150 -15.629 18.801 1.00 59.70 ? 901 ILE D N 1 ATOM 4802 C CA . ILE D 1 22 ? 14.782 -16.881 18.388 1.00 58.76 ? 901 ILE D CA 1 ATOM 4803 C C . ILE D 1 22 ? 13.898 -17.536 17.318 1.00 62.86 ? 901 ILE D C 1 ATOM 4804 O O . ILE D 1 22 ? 12.694 -17.699 17.533 1.00 60.29 ? 901 ILE D O 1 ATOM 4805 C CB . ILE D 1 22 ? 15.065 -17.850 19.586 1.00 59.42 ? 901 ILE D CB 1 ATOM 4806 C CG1 . ILE D 1 22 ? 16.019 -17.202 20.639 1.00 59.29 ? 901 ILE D CG1 1 ATOM 4807 C CG2 . ILE D 1 22 ? 15.652 -19.178 19.068 1.00 59.65 ? 901 ILE D CG2 1 ATOM 4808 C CD1 . ILE D 1 22 ? 16.275 -17.985 21.904 1.00 55.92 ? 901 ILE D CD1 1 ATOM 4809 N N . ARG D 1 23 ? 14.487 -17.899 16.174 1.00 62.52 ? 902 ARG D N 1 ATOM 4810 C CA . ARG D 1 23 ? 13.766 -18.598 15.109 1.00 62.52 ? 902 ARG D CA 1 ATOM 4811 C C . ARG D 1 23 ? 13.915 -20.093 15.279 1.00 66.14 ? 902 ARG D C 1 ATOM 4812 O O . ARG D 1 23 ? 15.029 -20.616 15.358 1.00 67.11 ? 902 ARG D O 1 ATOM 4813 C CB . ARG D 1 23 ? 14.264 -18.176 13.733 1.00 61.41 ? 902 ARG D CB 1 ATOM 4814 C CG . ARG D 1 23 ? 13.164 -18.112 12.716 1.00 60.00 ? 902 ARG D CG 1 ATOM 4815 C CD . ARG D 1 23 ? 13.804 -18.267 11.369 1.00 74.58 ? 902 ARG D CD 1 ATOM 4816 N NE . ARG D 1 23 ? 12.865 -18.735 10.356 1.00 84.32 ? 902 ARG D NE 1 ATOM 4817 C CZ . ARG D 1 23 ? 13.219 -19.400 9.263 1.00 93.49 ? 902 ARG D CZ 1 ATOM 4818 N NH1 . ARG D 1 23 ? 14.498 -19.658 9.019 1.00 70.39 ? 902 ARG D NH1 1 ATOM 4819 N NH2 . ARG D 1 23 ? 12.304 -19.770 8.382 1.00 86.53 ? 902 ARG D NH2 1 ATOM 4820 N N . ILE D 1 24 ? 12.789 -20.781 15.345 1.00 62.82 ? 903 ILE D N 1 ATOM 4821 C CA . ILE D 1 24 ? 12.781 -22.235 15.468 1.00 63.38 ? 903 ILE D CA 1 ATOM 4822 C C . ILE D 1 24 ? 12.462 -22.863 14.123 1.00 70.46 ? 903 ILE D C 1 ATOM 4823 O O . ILE D 1 24 ? 11.541 -22.418 13.435 1.00 69.95 ? 903 ILE D O 1 ATOM 4824 C CB . ILE D 1 24 ? 11.855 -22.742 16.608 1.00 64.45 ? 903 ILE D CB 1 ATOM 4825 C CG1 . ILE D 1 24 ? 12.169 -22.062 17.951 1.00 63.09 ? 903 ILE D CG1 1 ATOM 4826 C CG2 . ILE D 1 24 ? 11.866 -24.289 16.724 1.00 66.24 ? 903 ILE D CG2 1 ATOM 4827 C CD1 . ILE D 1 24 ? 13.597 -22.153 18.380 1.00 68.63 ? 903 ILE D CD1 1 ATOM 4828 N N . THR D 1 25 ? 13.251 -23.861 13.735 1.00 69.54 ? 904 THR D N 1 ATOM 4829 C CA . THR D 1 25 ? 13.025 -24.607 12.500 1.00 71.23 ? 904 THR D CA 1 ATOM 4830 C C . THR D 1 25 ? 13.036 -26.090 12.835 1.00 77.03 ? 904 THR D C 1 ATOM 4831 O O . THR D 1 25 ? 13.685 -26.521 13.794 1.00 75.25 ? 904 THR D O 1 ATOM 4832 C CB . THR D 1 25 ? 14.079 -24.275 11.437 1.00 73.53 ? 904 THR D CB 1 ATOM 4833 O OG1 . THR D 1 25 ? 15.353 -24.702 11.923 1.00 72.10 ? 904 THR D OG1 1 ATOM 4834 C CG2 . THR D 1 25 ? 14.058 -22.782 10.995 1.00 71.18 ? 904 THR D CG2 1 ATOM 4835 N N . TRP D 1 26 ? 12.316 -26.861 12.036 1.00 76.68 ? 905 TRP D N 1 ATOM 4836 C CA . TRP D 1 26 ? 12.248 -28.306 12.167 1.00 79.21 ? 905 TRP D CA 1 ATOM 4837 C C . TRP D 1 26 ? 11.900 -28.924 10.829 1.00 87.08 ? 905 TRP D C 1 ATOM 4838 O O . TRP D 1 26 ? 11.645 -28.221 9.842 1.00 86.94 ? 905 TRP D O 1 ATOM 4839 C CB . TRP D 1 26 ? 11.208 -28.710 13.225 1.00 76.28 ? 905 TRP D CB 1 ATOM 4840 C CG . TRP D 1 26 ? 9.834 -28.208 12.913 1.00 75.02 ? 905 TRP D CG 1 ATOM 4841 C CD1 . TRP D 1 26 ? 8.870 -28.853 12.209 1.00 78.58 ? 905 TRP D CD1 1 ATOM 4842 C CD2 . TRP D 1 26 ? 9.301 -26.915 13.241 1.00 72.46 ? 905 TRP D CD2 1 ATOM 4843 N NE1 . TRP D 1 26 ? 7.754 -28.059 12.100 1.00 76.23 ? 905 TRP D NE1 1 ATOM 4844 C CE2 . TRP D 1 26 ? 7.987 -26.866 12.737 1.00 75.33 ? 905 TRP D CE2 1 ATOM 4845 C CE3 . TRP D 1 26 ? 9.785 -25.815 13.978 1.00 72.15 ? 905 TRP D CE3 1 ATOM 4846 C CZ2 . TRP D 1 26 ? 7.154 -25.764 12.931 1.00 72.69 ? 905 TRP D CZ2 1 ATOM 4847 C CZ3 . TRP D 1 26 ? 8.954 -24.725 14.171 1.00 71.52 ? 905 TRP D CZ3 1 ATOM 4848 C CH2 . TRP D 1 26 ? 7.662 -24.701 13.635 1.00 71.98 ? 905 TRP D CH2 1 ATOM 4849 N N . ALA D 1 27 ? 11.879 -30.259 10.818 1.00 87.44 ? 906 ALA D N 1 ATOM 4850 C CA . ALA D 1 27 ? 11.511 -31.105 9.690 1.00 89.98 ? 906 ALA D CA 1 ATOM 4851 C C . ALA D 1 27 ? 10.374 -32.015 10.186 1.00 96.10 ? 906 ALA D C 1 ATOM 4852 O O . ALA D 1 27 ? 10.307 -32.341 11.375 1.00 94.48 ? 906 ALA D O 1 ATOM 4853 C CB . ALA D 1 27 ? 12.706 -31.946 9.258 1.00 94.41 ? 906 ALA D CB 1 ATOM 4854 N N . ASP D 1 28 ? 9.468 -32.382 9.288 1.00 96.02 ? 907 ASP D N 1 ATOM 4855 C CA . ASP D 1 28 ? 8.367 -33.288 9.581 1.00 97.32 ? 907 ASP D CA 1 ATOM 4856 C C . ASP D 1 28 ? 8.551 -34.503 8.664 1.00 105.42 ? 907 ASP D C 1 ATOM 4857 O O . ASP D 1 28 ? 8.517 -34.362 7.444 1.00 105.90 ? 907 ASP D O 1 ATOM 4858 C CB . ASP D 1 28 ? 7.015 -32.593 9.343 1.00 97.50 ? 907 ASP D CB 1 ATOM 4859 C CG . ASP D 1 28 ? 5.767 -33.390 9.713 1.00 113.28 ? 907 ASP D CG 1 ATOM 4860 O OD1 . ASP D 1 28 ? 5.905 -34.551 10.179 1.00 117.05 ? 907 ASP D OD1 1 ATOM 4861 O OD2 . ASP D 1 28 ? 4.661 -32.850 9.560 1.00 118.31 ? 907 ASP D OD2 1 ATOM 4862 N N . ASN D 1 29 ? 8.802 -35.675 9.249 1.00 105.45 ? 908 ASN D N 1 ATOM 4863 C CA . ASN D 1 29 ? 9.027 -36.882 8.462 1.00 110.74 ? 908 ASN D CA 1 ATOM 4864 C C . ASN D 1 29 ? 7.805 -37.400 7.708 1.00 117.16 ? 908 ASN D C 1 ATOM 4865 O O . ASN D 1 29 ? 7.967 -37.941 6.621 1.00 118.79 ? 908 ASN D O 1 ATOM 4866 C CB . ASN D 1 29 ? 9.748 -37.957 9.271 1.00 114.72 ? 908 ASN D CB 1 ATOM 4867 C CG . ASN D 1 29 ? 11.231 -37.668 9.464 1.00 119.04 ? 908 ASN D CG 1 ATOM 4868 O OD1 . ASN D 1 29 ? 11.846 -36.846 8.753 1.00 97.36 ? 908 ASN D OD1 1 ATOM 4869 N ND2 . ASN D 1 29 ? 11.841 -38.357 10.425 1.00 109.88 ? 908 ASN D ND2 1 ATOM 4870 N N . SER D 1 30 ? 6.587 -37.150 8.240 1.00 114.32 ? 909 SER D N 1 ATOM 4871 C CA . SER D 1 30 ? 5.288 -37.500 7.643 1.00 116.21 ? 909 SER D CA 1 ATOM 4872 C C . SER D 1 30 ? 4.944 -36.633 6.411 1.00 125.25 ? 909 SER D C 1 ATOM 4873 O O . SER D 1 30 ? 3.809 -36.651 5.941 1.00 125.98 ? 909 SER D O 1 ATOM 4874 C CB . SER D 1 30 ? 4.164 -37.469 8.683 1.00 117.71 ? 909 SER D CB 1 ATOM 4875 O OG . SER D 1 30 ? 4.430 -36.673 9.830 1.00 127.81 ? 909 SER D OG 1 ATOM 4876 N N . LEU D 1 31 ? 5.941 -35.902 5.878 1.00 125.52 ? 910 LEU D N 1 ATOM 4877 C CA . LEU D 1 31 ? 5.873 -35.060 4.677 1.00 127.41 ? 910 LEU D CA 1 ATOM 4878 C C . LEU D 1 31 ? 6.929 -35.583 3.665 1.00 139.40 ? 910 LEU D C 1 ATOM 4879 O O . LEU D 1 31 ? 7.930 -36.154 4.116 1.00 140.72 ? 910 LEU D O 1 ATOM 4880 C CB . LEU D 1 31 ? 6.247 -33.598 5.028 1.00 124.06 ? 910 LEU D CB 1 ATOM 4881 C CG . LEU D 1 31 ? 5.289 -32.724 5.835 1.00 125.15 ? 910 LEU D CG 1 ATOM 4882 C CD1 . LEU D 1 31 ? 5.902 -31.344 6.029 1.00 122.56 ? 910 LEU D CD1 1 ATOM 4883 C CD2 . LEU D 1 31 ? 3.912 -32.595 5.152 1.00 127.96 ? 910 LEU D CD2 1 ATOM 4884 N N . PRO D 1 32 ? 6.817 -35.329 2.327 1.00 140.89 ? 911 PRO D N 1 ATOM 4885 C CA . PRO D 1 32 ? 7.878 -35.790 1.402 1.00 146.08 ? 911 PRO D CA 1 ATOM 4886 C C . PRO D 1 32 ? 9.198 -35.009 1.540 1.00 150.94 ? 911 PRO D C 1 ATOM 4887 O O . PRO D 1 32 ? 9.228 -33.981 2.217 1.00 146.05 ? 911 PRO D O 1 ATOM 4888 C CB . PRO D 1 32 ? 7.240 -35.630 0.010 1.00 150.55 ? 911 PRO D CB 1 ATOM 4889 C CG . PRO D 1 32 ? 5.770 -35.375 0.264 1.00 151.86 ? 911 PRO D CG 1 ATOM 4890 C CD . PRO D 1 32 ? 5.732 -34.665 1.579 1.00 142.22 ? 911 PRO D CD 1 ATOM 4891 N N . LYS D 1 33 ? 10.296 -35.511 0.922 1.00 153.65 ? 912 LYS D N 1 ATOM 4892 C CA . LYS D 1 33 ? 11.653 -34.925 0.971 1.00 154.85 ? 912 LYS D CA 1 ATOM 4893 C C . LYS D 1 33 ? 11.733 -33.416 0.639 1.00 157.70 ? 912 LYS D C 1 ATOM 4894 O O . LYS D 1 33 ? 12.614 -32.730 1.170 1.00 155.77 ? 912 LYS D O 1 ATOM 4895 C CB . LYS D 1 33 ? 12.629 -35.726 0.092 1.00 163.84 ? 912 LYS D CB 1 ATOM 4896 C CG . LYS D 1 33 ? 13.826 -36.312 0.837 1.00 170.98 ? 912 LYS D CG 1 ATOM 4897 C CD . LYS D 1 33 ? 14.682 -37.137 -0.118 1.00 186.03 ? 912 LYS D CD 1 ATOM 4898 C CE . LYS D 1 33 ? 15.625 -38.078 0.583 1.00 193.72 ? 912 LYS D CE 1 ATOM 4899 N NZ . LYS D 1 33 ? 16.308 -38.977 -0.383 1.00 204.01 ? 912 LYS D NZ 1 ATOM 4900 N N . HIS D 1 34 ? 10.810 -32.907 -0.226 1.00 155.18 ? 913 HIS D N 1 ATOM 4901 C CA . HIS D 1 34 ? 10.722 -31.490 -0.623 1.00 153.81 ? 913 HIS D CA 1 ATOM 4902 C C . HIS D 1 34 ? 10.271 -30.573 0.525 1.00 149.49 ? 913 HIS D C 1 ATOM 4903 O O . HIS D 1 34 ? 10.452 -29.352 0.447 1.00 147.91 ? 913 HIS D O 1 ATOM 4904 C CB . HIS D 1 34 ? 9.857 -31.291 -1.889 1.00 158.04 ? 913 HIS D CB 1 ATOM 4905 C CG . HIS D 1 34 ? 8.503 -31.946 -1.872 1.00 160.78 ? 913 HIS D CG 1 ATOM 4906 N ND1 . HIS D 1 34 ? 8.132 -32.861 -2.851 1.00 167.11 ? 913 HIS D ND1 1 ATOM 4907 C CD2 . HIS D 1 34 ? 7.457 -31.760 -1.032 1.00 158.29 ? 913 HIS D CD2 1 ATOM 4908 C CE1 . HIS D 1 34 ? 6.887 -33.207 -2.567 1.00 164.66 ? 913 HIS D CE1 1 ATOM 4909 N NE2 . HIS D 1 34 ? 6.438 -32.569 -1.482 1.00 159.85 ? 913 HIS D NE2 1 ATOM 4910 N N . GLN D 1 35 ? 9.697 -31.186 1.593 1.00 140.76 ? 914 GLN D N 1 ATOM 4911 C CA . GLN D 1 35 ? 9.215 -30.577 2.842 1.00 133.80 ? 914 GLN D CA 1 ATOM 4912 C C . GLN D 1 35 ? 8.141 -29.494 2.638 1.00 131.27 ? 914 GLN D C 1 ATOM 4913 O O . GLN D 1 35 ? 8.308 -28.337 3.050 1.00 126.75 ? 914 GLN D O 1 ATOM 4914 C CB . GLN D 1 35 ? 10.389 -30.144 3.748 1.00 133.51 ? 914 GLN D CB 1 ATOM 4915 C CG . GLN D 1 35 ? 11.208 -31.311 4.318 1.00 151.43 ? 914 GLN D CG 1 ATOM 4916 C CD . GLN D 1 35 ? 10.480 -32.083 5.398 1.00 170.72 ? 914 GLN D CD 1 ATOM 4917 O OE1 . GLN D 1 35 ? 10.353 -31.627 6.534 1.00 161.78 ? 914 GLN D OE1 1 ATOM 4918 N NE2 . GLN D 1 35 ? 10.012 -33.282 5.074 1.00 169.16 ? 914 GLN D NE2 1 ATOM 4919 N N . LYS D 1 36 ? 7.021 -29.903 1.993 1.00 127.91 ? 915 LYS D N 1 ATOM 4920 C CA . LYS D 1 36 ? 5.892 -29.032 1.662 1.00 126.13 ? 915 LYS D CA 1 ATOM 4921 C C . LYS D 1 36 ? 4.547 -29.489 2.259 1.00 126.09 ? 915 LYS D C 1 ATOM 4922 O O . LYS D 1 36 ? 4.090 -30.601 1.951 1.00 128.09 ? 915 LYS D O 1 ATOM 4923 C CB . LYS D 1 36 ? 5.798 -28.829 0.128 1.00 132.04 ? 915 LYS D CB 1 ATOM 4924 C CG . LYS D 1 36 ? 6.783 -27.804 -0.412 1.00 134.04 ? 915 LYS D CG 1 ATOM 4925 C CD . LYS D 1 36 ? 7.402 -28.258 -1.707 1.00 142.00 ? 915 LYS D CD 1 ATOM 4926 C CE . LYS D 1 36 ? 7.934 -27.070 -2.460 1.00 143.97 ? 915 LYS D CE 1 ATOM 4927 N NZ . LYS D 1 36 ? 7.782 -27.210 -3.926 1.00 151.68 ? 915 LYS D NZ 1 ATOM 4928 N N . ILE D 1 37 ? 3.916 -28.612 3.107 1.00 116.89 ? 916 ILE D N 1 ATOM 4929 C CA . ILE D 1 37 ? 2.586 -28.844 3.718 1.00 114.18 ? 916 ILE D CA 1 ATOM 4930 C C . ILE D 1 37 ? 1.462 -28.593 2.679 1.00 116.21 ? 916 ILE D C 1 ATOM 4931 O O . ILE D 1 37 ? 1.350 -27.513 2.084 1.00 117.25 ? 916 ILE D O 1 ATOM 4932 C CB . ILE D 1 37 ? 2.310 -28.160 5.104 1.00 113.57 ? 916 ILE D CB 1 ATOM 4933 C CG1 . ILE D 1 37 ? 3.457 -28.392 6.105 1.00 111.96 ? 916 ILE D CG1 1 ATOM 4934 C CG2 . ILE D 1 37 ? 0.956 -28.617 5.734 1.00 112.77 ? 916 ILE D CG2 1 ATOM 4935 C CD1 . ILE D 1 37 ? 4.445 -27.253 6.196 1.00 117.42 ? 916 ILE D CD1 1 ATOM 4936 N N . THR D 1 38 ? 0.648 -29.625 2.476 1.00 107.89 ? 917 THR D N 1 ATOM 4937 C CA . THR D 1 38 ? -0.437 -29.599 1.543 1.00 107.55 ? 917 THR D CA 1 ATOM 4938 C C . THR D 1 38 ? -1.763 -29.818 2.287 1.00 105.52 ? 917 THR D C 1 ATOM 4939 O O . THR D 1 38 ? -2.804 -29.453 1.760 1.00 108.02 ? 917 THR D O 1 ATOM 4940 C CB . THR D 1 38 ? -0.137 -30.612 0.412 1.00 116.40 ? 917 THR D CB 1 ATOM 4941 O OG1 . THR D 1 38 ? 0.312 -31.853 0.960 1.00 111.32 ? 917 THR D OG1 1 ATOM 4942 C CG2 . THR D 1 38 ? 0.915 -30.098 -0.576 1.00 115.38 ? 917 THR D CG2 1 ATOM 4943 N N . ASP D 1 39 ? -1.728 -30.382 3.519 1.00 95.09 ? 918 ASP D N 1 ATOM 4944 C CA . ASP D 1 39 ? -2.928 -30.686 4.316 1.00 92.93 ? 918 ASP D CA 1 ATOM 4945 C C . ASP D 1 39 ? -3.240 -29.730 5.472 1.00 93.32 ? 918 ASP D C 1 ATOM 4946 O O . ASP D 1 39 ? -2.600 -28.678 5.589 1.00 92.89 ? 918 ASP D O 1 ATOM 4947 C CB . ASP D 1 39 ? -2.972 -32.174 4.760 1.00 94.51 ? 918 ASP D CB 1 ATOM 4948 C CG . ASP D 1 39 ? -1.792 -32.676 5.574 1.00 94.42 ? 918 ASP D CG 1 ATOM 4949 O OD1 . ASP D 1 39 ? -1.426 -32.009 6.566 1.00 90.54 ? 918 ASP D OD1 1 ATOM 4950 O OD2 . ASP D 1 39 ? -1.304 -33.790 5.283 1.00 98.71 ? 918 ASP D OD2 1 ATOM 4951 N N . SER D 1 40 ? -4.230 -30.116 6.328 1.00 87.23 ? 919 SER D N 1 ATOM 4952 C CA . SER D 1 40 ? -4.721 -29.387 7.509 1.00 83.75 ? 919 SER D CA 1 ATOM 4953 C C . SER D 1 40 ? -3.843 -29.495 8.753 1.00 81.64 ? 919 SER D C 1 ATOM 4954 O O . SER D 1 40 ? -4.239 -28.994 9.811 1.00 81.95 ? 919 SER D O 1 ATOM 4955 C CB . SER D 1 40 ? -6.152 -29.808 7.846 1.00 89.19 ? 919 SER D CB 1 ATOM 4956 O OG . SER D 1 40 ? -6.239 -31.109 8.415 1.00 95.94 ? 919 SER D OG 1 ATOM 4957 N N . ARG D 1 41 ? -2.670 -30.139 8.661 1.00 74.90 ? 920 ARG D N 1 ATOM 4958 C CA . ARG D 1 41 ? -1.792 -30.238 9.842 1.00 72.38 ? 920 ARG D CA 1 ATOM 4959 C C . ARG D 1 41 ? -1.255 -28.887 10.312 1.00 74.12 ? 920 ARG D C 1 ATOM 4960 O O . ARG D 1 41 ? -1.075 -27.969 9.509 1.00 75.71 ? 920 ARG D O 1 ATOM 4961 C CB . ARG D 1 41 ? -0.627 -31.240 9.651 1.00 71.42 ? 920 ARG D CB 1 ATOM 4962 C CG . ARG D 1 41 ? 0.592 -30.694 8.888 1.00 71.42 ? 920 ARG D CG 1 ATOM 4963 C CD . ARG D 1 41 ? 1.599 -31.761 8.550 1.00 79.37 ? 920 ARG D CD 1 ATOM 4964 N NE . ARG D 1 41 ? 1.011 -32.858 7.782 1.00 89.72 ? 920 ARG D NE 1 ATOM 4965 C CZ . ARG D 1 41 ? 1.564 -34.058 7.635 1.00 106.20 ? 920 ARG D CZ 1 ATOM 4966 N NH1 . ARG D 1 41 ? 2.733 -34.334 8.205 1.00 89.31 ? 920 ARG D NH1 1 ATOM 4967 N NH2 . ARG D 1 41 ? 0.944 -34.998 6.931 1.00 95.09 ? 920 ARG D NH2 1 ATOM 4968 N N . TYR D 1 42 ? -1.007 -28.785 11.603 1.00 68.94 ? 921 TYR D N 1 ATOM 4969 C CA . TYR D 1 42 ? -0.417 -27.624 12.237 1.00 67.54 ? 921 TYR D CA 1 ATOM 4970 C C . TYR D 1 42 ? 0.559 -28.058 13.278 1.00 72.72 ? 921 TYR D C 1 ATOM 4971 O O . TYR D 1 42 ? 0.389 -29.130 13.876 1.00 74.95 ? 921 TYR D O 1 ATOM 4972 C CB . TYR D 1 42 ? -1.460 -26.663 12.807 1.00 69.23 ? 921 TYR D CB 1 ATOM 4973 C CG . TYR D 1 42 ? -2.200 -27.132 14.034 1.00 71.77 ? 921 TYR D CG 1 ATOM 4974 C CD1 . TYR D 1 42 ? -3.414 -27.798 13.925 1.00 75.67 ? 921 TYR D CD1 1 ATOM 4975 C CD2 . TYR D 1 42 ? -1.759 -26.790 15.311 1.00 71.86 ? 921 TYR D CD2 1 ATOM 4976 C CE1 . TYR D 1 42 ? -4.141 -28.177 15.053 1.00 75.22 ? 921 TYR D CE1 1 ATOM 4977 C CE2 . TYR D 1 42 ? -2.485 -27.157 16.446 1.00 73.76 ? 921 TYR D CE2 1 ATOM 4978 C CZ . TYR D 1 42 ? -3.689 -27.832 16.305 1.00 80.34 ? 921 TYR D CZ 1 ATOM 4979 O OH . TYR D 1 42 ? -4.439 -28.202 17.383 1.00 88.10 ? 921 TYR D OH 1 ATOM 4980 N N . TYR D 1 43 ? 1.584 -27.233 13.497 1.00 67.57 ? 922 TYR D N 1 ATOM 4981 C CA . TYR D 1 43 ? 2.620 -27.505 14.481 1.00 66.61 ? 922 TYR D CA 1 ATOM 4982 C C . TYR D 1 43 ? 2.438 -26.618 15.650 1.00 72.45 ? 922 TYR D C 1 ATOM 4983 O O . TYR D 1 43 ? 1.999 -25.477 15.507 1.00 71.79 ? 922 TYR D O 1 ATOM 4984 C CB . TYR D 1 43 ? 4.016 -27.293 13.897 1.00 66.69 ? 922 TYR D CB 1 ATOM 4985 C CG . TYR D 1 43 ? 4.231 -28.065 12.622 1.00 70.83 ? 922 TYR D CG 1 ATOM 4986 C CD1 . TYR D 1 43 ? 4.556 -29.420 12.652 1.00 74.00 ? 922 TYR D CD1 1 ATOM 4987 C CD2 . TYR D 1 43 ? 4.053 -27.458 11.377 1.00 71.32 ? 922 TYR D CD2 1 ATOM 4988 C CE1 . TYR D 1 43 ? 4.709 -30.150 11.476 1.00 75.96 ? 922 TYR D CE1 1 ATOM 4989 C CE2 . TYR D 1 43 ? 4.228 -28.173 10.201 1.00 73.59 ? 922 TYR D CE2 1 ATOM 4990 C CZ . TYR D 1 43 ? 4.548 -29.522 10.255 1.00 81.88 ? 922 TYR D CZ 1 ATOM 4991 O OH . TYR D 1 43 ? 4.727 -30.232 9.096 1.00 86.90 ? 922 TYR D OH 1 ATOM 4992 N N . THR D 1 44 ? 2.785 -27.141 16.817 1.00 70.83 ? 923 THR D N 1 ATOM 4993 C CA . THR D 1 44 ? 2.726 -26.381 18.043 1.00 70.05 ? 923 THR D CA 1 ATOM 4994 C C . THR D 1 44 ? 4.137 -26.295 18.601 1.00 73.60 ? 923 THR D C 1 ATOM 4995 O O . THR D 1 44 ? 4.779 -27.312 18.828 1.00 73.62 ? 923 THR D O 1 ATOM 4996 C CB . THR D 1 44 ? 1.670 -26.933 18.986 1.00 78.51 ? 923 THR D CB 1 ATOM 4997 O OG1 . THR D 1 44 ? 0.430 -27.072 18.278 1.00 83.11 ? 923 THR D OG1 1 ATOM 4998 C CG2 . THR D 1 44 ? 1.475 -26.043 20.194 1.00 78.32 ? 923 THR D CG2 1 ATOM 4999 N N . VAL D 1 45 ? 4.641 -25.072 18.745 1.00 69.97 ? 924 VAL D N 1 ATOM 5000 C CA . VAL D 1 45 ? 5.976 -24.823 19.283 1.00 69.03 ? 924 VAL D CA 1 ATOM 5001 C C . VAL D 1 45 ? 5.773 -24.455 20.743 1.00 72.43 ? 924 VAL D C 1 ATOM 5002 O O . VAL D 1 45 ? 4.870 -23.680 21.049 1.00 72.36 ? 924 VAL D O 1 ATOM 5003 C CB . VAL D 1 45 ? 6.703 -23.675 18.521 1.00 72.26 ? 924 VAL D CB 1 ATOM 5004 C CG1 . VAL D 1 45 ? 8.110 -23.440 19.068 1.00 71.43 ? 924 VAL D CG1 1 ATOM 5005 C CG2 . VAL D 1 45 ? 6.751 -23.948 17.019 1.00 72.66 ? 924 VAL D CG2 1 ATOM 5006 N N . ARG D 1 46 ? 6.617 -24.994 21.636 1.00 67.23 ? 925 ARG D N 1 ATOM 5007 C CA . ARG D 1 46 ? 6.568 -24.652 23.038 1.00 65.54 ? 925 ARG D CA 1 ATOM 5008 C C . ARG D 1 46 ? 7.956 -24.280 23.528 1.00 67.24 ? 925 ARG D C 1 ATOM 5009 O O . ARG D 1 46 ? 8.965 -24.798 23.045 1.00 67.18 ? 925 ARG D O 1 ATOM 5010 C CB . ARG D 1 46 ? 5.939 -25.764 23.867 1.00 67.16 ? 925 ARG D CB 1 ATOM 5011 C CG . ARG D 1 46 ? 6.808 -26.990 23.951 1.00 70.58 ? 925 ARG D CG 1 ATOM 5012 C CD . ARG D 1 46 ? 6.280 -27.915 24.981 1.00 65.15 ? 925 ARG D CD 1 ATOM 5013 N NE . ARG D 1 46 ? 7.180 -29.047 25.103 1.00 69.68 ? 925 ARG D NE 1 ATOM 5014 C CZ . ARG D 1 46 ? 7.009 -30.042 25.959 1.00 81.65 ? 925 ARG D CZ 1 ATOM 5015 N NH1 . ARG D 1 46 ? 5.947 -30.063 26.763 1.00 59.07 ? 925 ARG D NH1 1 ATOM 5016 N NH2 . ARG D 1 46 ? 7.887 -31.035 26.012 1.00 69.99 ? 925 ARG D NH2 1 ATOM 5017 N N . TRP D 1 47 ? 7.996 -23.369 24.487 1.00 63.50 ? 926 TRP D N 1 ATOM 5018 C CA . TRP D 1 47 ? 9.235 -22.883 25.062 1.00 63.52 ? 926 TRP D CA 1 ATOM 5019 C C . TRP D 1 47 ? 9.019 -22.433 26.468 1.00 70.74 ? 926 TRP D C 1 ATOM 5020 O O . TRP D 1 47 ? 7.925 -21.991 26.839 1.00 70.42 ? 926 TRP D O 1 ATOM 5021 C CB . TRP D 1 47 ? 9.849 -21.730 24.222 1.00 60.48 ? 926 TRP D CB 1 ATOM 5022 C CG . TRP D 1 47 ? 9.008 -20.480 24.148 1.00 60.34 ? 926 TRP D CG 1 ATOM 5023 C CD1 . TRP D 1 47 ? 9.095 -19.385 24.962 1.00 63.34 ? 926 TRP D CD1 1 ATOM 5024 C CD2 . TRP D 1 47 ? 7.871 -20.257 23.295 1.00 59.98 ? 926 TRP D CD2 1 ATOM 5025 N NE1 . TRP D 1 47 ? 8.091 -18.488 24.661 1.00 62.80 ? 926 TRP D NE1 1 ATOM 5026 C CE2 . TRP D 1 47 ? 7.326 -18.999 23.638 1.00 64.29 ? 926 TRP D CE2 1 ATOM 5027 C CE3 . TRP D 1 47 ? 7.272 -20.989 22.253 1.00 61.14 ? 926 TRP D CE3 1 ATOM 5028 C CZ2 . TRP D 1 47 ? 6.256 -18.428 22.924 1.00 63.81 ? 926 TRP D CZ2 1 ATOM 5029 C CZ3 . TRP D 1 47 ? 6.184 -20.442 21.580 1.00 62.44 ? 926 TRP D CZ3 1 ATOM 5030 C CH2 . TRP D 1 47 ? 5.684 -19.183 21.924 1.00 63.56 ? 926 TRP D CH2 1 ATOM 5031 N N . LYS D 1 48 ? 10.091 -22.535 27.242 1.00 70.98 ? 927 LYS D N 1 ATOM 5032 C CA . LYS D 1 48 ? 10.153 -22.126 28.626 1.00 74.14 ? 927 LYS D CA 1 ATOM 5033 C C . LYS D 1 48 ? 11.611 -21.861 28.937 1.00 82.18 ? 927 LYS D C 1 ATOM 5034 O O . LYS D 1 48 ? 12.501 -22.453 28.320 1.00 82.63 ? 927 LYS D O 1 ATOM 5035 C CB . LYS D 1 48 ? 9.538 -23.201 29.577 1.00 79.27 ? 927 LYS D CB 1 ATOM 5036 C CG . LYS D 1 48 ? 10.407 -24.428 29.887 1.00 75.42 ? 927 LYS D CG 1 ATOM 5037 C CD . LYS D 1 48 ? 9.757 -25.308 30.949 1.00 74.83 ? 927 LYS D CD 1 ATOM 5038 C CE . LYS D 1 48 ? 10.771 -26.182 31.666 1.00 89.55 ? 927 LYS D CE 1 ATOM 5039 N NZ . LYS D 1 48 ? 11.352 -25.549 32.911 1.00 102.05 ? 927 LYS D NZ 1 ATOM 5040 N N . THR D 1 49 ? 11.855 -20.976 29.885 1.00 81.14 ? 928 THR D N 1 ATOM 5041 C CA . THR D 1 49 ? 13.213 -20.730 30.309 1.00 82.28 ? 928 THR D CA 1 ATOM 5042 C C . THR D 1 49 ? 13.677 -21.910 31.154 1.00 93.75 ? 928 THR D C 1 ATOM 5043 O O . THR D 1 49 ? 12.910 -22.454 31.981 1.00 93.51 ? 928 THR D O 1 ATOM 5044 C CB . THR D 1 49 ? 13.339 -19.411 31.039 1.00 84.70 ? 928 THR D CB 1 ATOM 5045 O OG1 . THR D 1 49 ? 14.709 -19.227 31.322 1.00 86.34 ? 928 THR D OG1 1 ATOM 5046 C CG2 . THR D 1 49 ? 12.454 -19.294 32.256 1.00 87.38 ? 928 THR D CG2 1 ATOM 5047 N N . ASN D 1 50 ? 14.941 -22.294 30.945 1.00 95.77 ? 929 ASN D N 1 ATOM 5048 C CA . ASN D 1 50 ? 15.607 -23.389 31.643 1.00 100.32 ? 929 ASN D CA 1 ATOM 5049 C C . ASN D 1 50 ? 15.470 -23.254 33.205 1.00 106.44 ? 929 ASN D C 1 ATOM 5050 O O . ASN D 1 50 ? 15.177 -24.234 33.897 1.00 109.12 ? 929 ASN D O 1 ATOM 5051 C CB . ASN D 1 50 ? 17.088 -23.406 31.194 1.00 108.50 ? 929 ASN D CB 1 ATOM 5052 C CG . ASN D 1 50 ? 17.678 -24.793 31.055 1.00 161.47 ? 929 ASN D CG 1 ATOM 5053 O OD1 . ASN D 1 50 ? 17.256 -25.602 30.207 1.00 161.87 ? 929 ASN D OD1 1 ATOM 5054 N ND2 . ASN D 1 50 ? 18.706 -25.075 31.853 1.00 159.48 ? 929 ASN D ND2 1 ATOM 5055 N N . ILE D 1 51 ? 15.661 -22.007 33.716 1.00 101.33 ? 930 ILE D N 1 ATOM 5056 C CA . ILE D 1 51 ? 15.648 -21.559 35.122 1.00 102.54 ? 930 ILE D CA 1 ATOM 5057 C C . ILE D 1 51 ? 14.839 -20.222 35.253 1.00 103.36 ? 930 ILE D C 1 ATOM 5058 O O . ILE D 1 51 ? 15.090 -19.282 34.482 1.00 99.78 ? 930 ILE D O 1 ATOM 5059 C CB . ILE D 1 51 ? 17.117 -21.432 35.651 1.00 106.94 ? 930 ILE D CB 1 ATOM 5060 C CG1 . ILE D 1 51 ? 17.812 -22.812 35.723 1.00 111.47 ? 930 ILE D CG1 1 ATOM 5061 C CG2 . ILE D 1 51 ? 17.217 -20.689 36.965 1.00 107.79 ? 930 ILE D CG2 1 ATOM 5062 C CD1 . ILE D 1 51 ? 18.813 -23.092 34.644 1.00 124.34 ? 930 ILE D CD1 1 ATOM 5063 N N . PRO D 1 52 ? 13.905 -20.078 36.231 1.00 100.89 ? 931 PRO D N 1 ATOM 5064 C CA . PRO D 1 52 ? 13.500 -21.061 37.254 1.00 104.74 ? 931 PRO D CA 1 ATOM 5065 C C . PRO D 1 52 ? 12.948 -22.351 36.664 1.00 111.77 ? 931 PRO D C 1 ATOM 5066 O O . PRO D 1 52 ? 12.417 -22.359 35.547 1.00 108.63 ? 931 PRO D O 1 ATOM 5067 C CB . PRO D 1 52 ? 12.494 -20.288 38.121 1.00 107.31 ? 931 PRO D CB 1 ATOM 5068 C CG . PRO D 1 52 ? 11.986 -19.197 37.243 1.00 107.66 ? 931 PRO D CG 1 ATOM 5069 C CD . PRO D 1 52 ? 13.151 -18.816 36.373 1.00 100.45 ? 931 PRO D CD 1 ATOM 5070 N N . ALA D 1 53 ? 13.121 -23.453 37.412 1.00 113.98 ? 932 ALA D N 1 ATOM 5071 C CA . ALA D 1 53 ? 12.673 -24.789 37.025 1.00 115.06 ? 932 ALA D CA 1 ATOM 5072 C C . ALA D 1 53 ? 11.136 -24.897 36.894 1.00 117.50 ? 932 ALA D C 1 ATOM 5073 O O . ALA D 1 53 ? 10.644 -25.695 36.085 1.00 117.89 ? 932 ALA D O 1 ATOM 5074 C CB . ALA D 1 53 ? 13.201 -25.817 38.024 1.00 121.35 ? 932 ALA D CB 1 ATOM 5075 N N . ASN D 1 54 ? 10.401 -24.057 37.661 1.00 112.19 ? 933 ASN D N 1 ATOM 5076 C CA . ASN D 1 54 ? 8.936 -23.985 37.747 1.00 112.25 ? 933 ASN D CA 1 ATOM 5077 C C . ASN D 1 54 ? 8.220 -23.229 36.613 1.00 110.17 ? 933 ASN D C 1 ATOM 5078 O O . ASN D 1 54 ? 6.993 -23.102 36.671 1.00 110.02 ? 933 ASN D O 1 ATOM 5079 C CB . ASN D 1 54 ? 8.524 -23.372 39.096 1.00 117.89 ? 933 ASN D CB 1 ATOM 5080 C CG . ASN D 1 54 ? 8.937 -21.930 39.253 1.00 145.27 ? 933 ASN D CG 1 ATOM 5081 O OD1 . ASN D 1 54 ? 8.306 -21.011 38.698 1.00 135.20 ? 933 ASN D OD1 1 ATOM 5082 N ND2 . ASN D 1 54 ? 10.001 -21.695 40.027 1.00 140.64 ? 933 ASN D ND2 1 ATOM 5083 N N . THR D 1 55 ? 8.968 -22.709 35.622 1.00 101.72 ? 934 THR D N 1 ATOM 5084 C CA . THR D 1 55 ? 8.397 -21.917 34.547 1.00 97.34 ? 934 THR D CA 1 ATOM 5085 C C . THR D 1 55 ? 7.394 -22.682 33.709 1.00 101.49 ? 934 THR D C 1 ATOM 5086 O O . THR D 1 55 ? 7.710 -23.769 33.225 1.00 104.37 ? 934 THR D O 1 ATOM 5087 C CB . THR D 1 55 ? 9.501 -21.195 33.758 1.00 96.16 ? 934 THR D CB 1 ATOM 5088 O OG1 . THR D 1 55 ? 10.036 -20.160 34.605 1.00 83.75 ? 934 THR D OG1 1 ATOM 5089 C CG2 . THR D 1 55 ? 8.983 -20.588 32.422 1.00 92.74 ? 934 THR D CG2 1 ATOM 5090 N N . LYS D 1 56 ? 6.186 -22.122 33.540 1.00 94.61 ? 935 LYS D N 1 ATOM 5091 C CA . LYS D 1 56 ? 5.139 -22.736 32.723 1.00 92.57 ? 935 LYS D CA 1 ATOM 5092 C C . LYS D 1 56 ? 5.461 -22.531 31.237 1.00 86.18 ? 935 LYS D C 1 ATOM 5093 O O . LYS D 1 56 ? 6.015 -21.490 30.881 1.00 85.00 ? 935 LYS D O 1 ATOM 5094 C CB . LYS D 1 56 ? 3.734 -22.223 33.117 1.00 99.09 ? 935 LYS D CB 1 ATOM 5095 C CG . LYS D 1 56 ? 3.634 -20.704 33.335 1.00 128.29 ? 935 LYS D CG 1 ATOM 5096 C CD . LYS D 1 56 ? 2.210 -20.258 33.671 1.00 147.55 ? 935 LYS D CD 1 ATOM 5097 C CE . LYS D 1 56 ? 2.010 -18.771 33.446 1.00 156.87 ? 935 LYS D CE 1 ATOM 5098 N NZ . LYS D 1 56 ? 0.579 -18.365 33.570 1.00 163.37 ? 935 LYS D NZ 1 ATOM 5099 N N . TYR D 1 57 ? 5.182 -23.527 30.386 1.00 75.67 ? 936 TYR D N 1 ATOM 5100 C CA . TYR D 1 57 ? 5.474 -23.405 28.968 1.00 69.90 ? 936 TYR D CA 1 ATOM 5101 C C . TYR D 1 57 ? 4.550 -22.389 28.298 1.00 75.55 ? 936 TYR D C 1 ATOM 5102 O O . TYR D 1 57 ? 3.355 -22.279 28.628 1.00 78.41 ? 936 TYR D O 1 ATOM 5103 C CB . TYR D 1 57 ? 5.280 -24.745 28.239 1.00 69.31 ? 936 TYR D CB 1 ATOM 5104 C CG . TYR D 1 57 ? 6.413 -25.734 28.340 1.00 68.50 ? 936 TYR D CG 1 ATOM 5105 C CD1 . TYR D 1 57 ? 7.538 -25.620 27.526 1.00 68.69 ? 936 TYR D CD1 1 ATOM 5106 C CD2 . TYR D 1 57 ? 6.294 -26.874 29.126 1.00 70.95 ? 936 TYR D CD2 1 ATOM 5107 C CE1 . TYR D 1 57 ? 8.570 -26.556 27.583 1.00 71.81 ? 936 TYR D CE1 1 ATOM 5108 C CE2 . TYR D 1 57 ? 7.305 -27.828 29.175 1.00 72.99 ? 936 TYR D CE2 1 ATOM 5109 C CZ . TYR D 1 57 ? 8.454 -27.653 28.422 1.00 83.22 ? 936 TYR D CZ 1 ATOM 5110 O OH . TYR D 1 57 ? 9.471 -28.578 28.495 1.00 90.01 ? 936 TYR D OH 1 ATOM 5111 N N . LYS D 1 58 ? 5.110 -21.650 27.353 1.00 69.22 ? 937 LYS D N 1 ATOM 5112 C CA . LYS D 1 58 ? 4.357 -20.747 26.506 1.00 68.94 ? 937 LYS D CA 1 ATOM 5113 C C . LYS D 1 58 ? 4.351 -21.498 25.192 1.00 74.36 ? 937 LYS D C 1 ATOM 5114 O O . LYS D 1 58 ? 5.312 -22.214 24.903 1.00 73.66 ? 937 LYS D O 1 ATOM 5115 C CB . LYS D 1 58 ? 5.053 -19.386 26.349 1.00 70.19 ? 937 LYS D CB 1 ATOM 5116 C CG . LYS D 1 58 ? 4.270 -18.252 26.992 1.00 100.71 ? 937 LYS D CG 1 ATOM 5117 C CD . LYS D 1 58 ? 4.945 -16.895 26.833 1.00 123.12 ? 937 LYS D CD 1 ATOM 5118 C CE . LYS D 1 58 ? 3.917 -15.799 26.613 1.00 145.71 ? 937 LYS D CE 1 ATOM 5119 N NZ . LYS D 1 58 ? 4.492 -14.634 25.880 1.00 154.31 ? 937 LYS D NZ 1 ATOM 5120 N N . ASN D 1 59 ? 3.264 -21.409 24.430 1.00 72.54 ? 938 ASN D N 1 ATOM 5121 C CA . ASN D 1 59 ? 3.223 -22.080 23.143 1.00 72.29 ? 938 ASN D CA 1 ATOM 5122 C C . ASN D 1 59 ? 2.486 -21.361 22.014 1.00 76.92 ? 938 ASN D C 1 ATOM 5123 O O . ASN D 1 59 ? 1.684 -20.456 22.255 1.00 79.47 ? 938 ASN D O 1 ATOM 5124 C CB . ASN D 1 59 ? 2.923 -23.577 23.237 1.00 77.71 ? 938 ASN D CB 1 ATOM 5125 C CG . ASN D 1 59 ? 1.604 -23.948 23.814 1.00 104.06 ? 938 ASN D CG 1 ATOM 5126 O OD1 . ASN D 1 59 ? 0.565 -23.372 23.484 1.00 91.74 ? 938 ASN D OD1 1 ATOM 5127 N ND2 . ASN D 1 59 ? 1.621 -24.992 24.633 1.00 104.15 ? 938 ASN D ND2 1 ATOM 5128 N N . ALA D 1 60 ? 2.808 -21.732 20.775 1.00 69.63 ? 939 ALA D N 1 ATOM 5129 C CA . ALA D 1 60 ? 2.244 -21.097 19.603 1.00 68.48 ? 939 ALA D CA 1 ATOM 5130 C C . ALA D 1 60 ? 2.052 -22.089 18.474 1.00 72.06 ? 939 ALA D C 1 ATOM 5131 O O . ALA D 1 60 ? 2.813 -23.062 18.371 1.00 70.84 ? 939 ALA D O 1 ATOM 5132 C CB . ALA D 1 60 ? 3.166 -19.993 19.150 1.00 67.76 ? 939 ALA D CB 1 ATOM 5133 N N . ASN D 1 61 ? 1.050 -21.822 17.605 1.00 68.08 ? 940 ASN D N 1 ATOM 5134 C CA . ASN D 1 61 ? 0.777 -22.657 16.445 1.00 67.92 ? 940 ASN D CA 1 ATOM 5135 C C . ASN D 1 61 ? 1.431 -22.099 15.205 1.00 71.94 ? 940 ASN D C 1 ATOM 5136 O O . ASN D 1 61 ? 1.521 -20.875 15.048 1.00 73.20 ? 940 ASN D O 1 ATOM 5137 C CB . ASN D 1 61 ? -0.717 -22.814 16.201 1.00 69.42 ? 940 ASN D CB 1 ATOM 5138 C CG . ASN D 1 61 ? -1.449 -23.609 17.240 1.00 91.25 ? 940 ASN D CG 1 ATOM 5139 O OD1 . ASN D 1 61 ? -0.906 -24.498 17.925 1.00 80.73 ? 940 ASN D OD1 1 ATOM 5140 N ND2 . ASN D 1 61 ? -2.707 -23.271 17.337 1.00 90.14 ? 940 ASN D ND2 1 ATOM 5141 N N . ALA D 1 62 ? 1.867 -23.001 14.310 1.00 67.49 ? 941 ALA D N 1 ATOM 5142 C CA . ALA D 1 62 ? 2.495 -22.654 13.043 1.00 67.84 ? 941 ALA D CA 1 ATOM 5143 C C . ALA D 1 62 ? 2.014 -23.563 11.946 1.00 73.67 ? 941 ALA D C 1 ATOM 5144 O O . ALA D 1 62 ? 1.771 -24.741 12.206 1.00 73.88 ? 941 ALA D O 1 ATOM 5145 C CB . ALA D 1 62 ? 4.008 -22.755 13.178 1.00 67.25 ? 941 ALA D CB 1 ATOM 5146 N N . THR D 1 63 ? 1.879 -23.036 10.718 1.00 72.68 ? 942 THR D N 1 ATOM 5147 C CA . THR D 1 63 ? 1.453 -23.870 9.580 1.00 74.53 ? 942 THR D CA 1 ATOM 5148 C C . THR D 1 63 ? 2.605 -24.114 8.604 1.00 78.37 ? 942 THR D C 1 ATOM 5149 O O . THR D 1 63 ? 2.420 -24.699 7.542 1.00 81.64 ? 942 THR D O 1 ATOM 5150 C CB . THR D 1 63 ? 0.151 -23.364 8.936 1.00 86.41 ? 942 THR D CB 1 ATOM 5151 O OG1 . THR D 1 63 ? 0.333 -22.030 8.487 1.00 97.23 ? 942 THR D OG1 1 ATOM 5152 C CG2 . THR D 1 63 ? -1.027 -23.435 9.881 1.00 83.66 ? 942 THR D CG2 1 ATOM 5153 N N . THR D 1 64 ? 3.797 -23.677 8.976 1.00 72.75 ? 943 THR D N 1 ATOM 5154 C CA . THR D 1 64 ? 5.032 -23.843 8.206 1.00 72.94 ? 943 THR D CA 1 ATOM 5155 C C . THR D 1 64 ? 6.068 -24.585 9.079 1.00 73.13 ? 943 THR D C 1 ATOM 5156 O O . THR D 1 64 ? 5.845 -24.764 10.273 1.00 69.91 ? 943 THR D O 1 ATOM 5157 C CB . THR D 1 64 ? 5.534 -22.465 7.701 1.00 77.47 ? 943 THR D CB 1 ATOM 5158 O OG1 . THR D 1 64 ? 5.762 -21.588 8.821 1.00 87.47 ? 943 THR D OG1 1 ATOM 5159 C CG2 . THR D 1 64 ? 4.567 -21.825 6.744 1.00 65.67 ? 943 THR D CG2 1 ATOM 5160 N N . LEU D 1 65 ? 7.190 -25.002 8.480 1.00 70.49 ? 944 LEU D N 1 ATOM 5161 C CA . LEU D 1 65 ? 8.284 -25.694 9.155 1.00 68.50 ? 944 LEU D CA 1 ATOM 5162 C C . LEU D 1 65 ? 9.258 -24.754 9.873 1.00 72.16 ? 944 LEU D C 1 ATOM 5163 O O . LEU D 1 65 ? 10.453 -25.053 9.987 1.00 75.10 ? 944 LEU D O 1 ATOM 5164 C CB . LEU D 1 65 ? 9.011 -26.645 8.204 1.00 71.38 ? 944 LEU D CB 1 ATOM 5165 C CG . LEU D 1 65 ? 8.195 -27.793 7.640 1.00 78.98 ? 944 LEU D CG 1 ATOM 5166 C CD1 . LEU D 1 65 ? 8.981 -28.477 6.596 1.00 83.24 ? 944 LEU D CD1 1 ATOM 5167 C CD2 . LEU D 1 65 ? 7.810 -28.809 8.733 1.00 80.31 ? 944 LEU D CD2 1 ATOM 5168 N N . SER D 1 66 ? 8.729 -23.628 10.384 1.00 65.58 ? 945 SER D N 1 ATOM 5169 C CA . SER D 1 66 ? 9.441 -22.650 11.194 1.00 64.58 ? 945 SER D CA 1 ATOM 5170 C C . SER D 1 66 ? 8.479 -21.762 12.002 1.00 68.11 ? 945 SER D C 1 ATOM 5171 O O . SER D 1 66 ? 7.321 -21.574 11.608 1.00 70.08 ? 945 SER D O 1 ATOM 5172 C CB . SER D 1 66 ? 10.358 -21.787 10.342 1.00 70.53 ? 945 SER D CB 1 ATOM 5173 O OG . SER D 1 66 ? 9.589 -20.887 9.569 1.00 81.37 ? 945 SER D OG 1 ATOM 5174 N N . TYR D 1 67 ? 8.982 -21.211 13.120 1.00 61.05 ? 946 TYR D N 1 ATOM 5175 C CA . TYR D 1 67 ? 8.256 -20.286 13.976 1.00 58.78 ? 946 TYR D CA 1 ATOM 5176 C C . TYR D 1 67 ? 9.215 -19.267 14.591 1.00 60.53 ? 946 TYR D C 1 ATOM 5177 O O . TYR D 1 67 ? 10.302 -19.616 15.054 1.00 60.09 ? 946 TYR D O 1 ATOM 5178 C CB . TYR D 1 67 ? 7.415 -21.007 15.065 1.00 57.80 ? 946 TYR D CB 1 ATOM 5179 C CG . TYR D 1 67 ? 6.533 -20.046 15.839 1.00 56.68 ? 946 TYR D CG 1 ATOM 5180 C CD1 . TYR D 1 67 ? 5.365 -19.543 15.282 1.00 58.87 ? 946 TYR D CD1 1 ATOM 5181 C CD2 . TYR D 1 67 ? 6.927 -19.547 17.074 1.00 57.26 ? 946 TYR D CD2 1 ATOM 5182 C CE1 . TYR D 1 67 ? 4.601 -18.581 15.940 1.00 59.59 ? 946 TYR D CE1 1 ATOM 5183 C CE2 . TYR D 1 67 ? 6.172 -18.578 17.745 1.00 58.84 ? 946 TYR D CE2 1 ATOM 5184 C CZ . TYR D 1 67 ? 5.011 -18.096 17.169 1.00 69.22 ? 946 TYR D CZ 1 ATOM 5185 O OH . TYR D 1 67 ? 4.237 -17.161 17.806 1.00 74.61 ? 946 TYR D OH 1 ATOM 5186 N N . LEU D 1 68 ? 8.785 -18.014 14.609 1.00 56.26 ? 947 LEU D N 1 ATOM 5187 C CA . LEU D 1 68 ? 9.549 -16.921 15.170 1.00 55.37 ? 947 LEU D CA 1 ATOM 5188 C C . LEU D 1 68 ? 9.108 -16.670 16.594 1.00 59.33 ? 947 LEU D C 1 ATOM 5189 O O . LEU D 1 68 ? 8.040 -16.114 16.825 1.00 59.41 ? 947 LEU D O 1 ATOM 5190 C CB . LEU D 1 68 ? 9.356 -15.683 14.305 1.00 57.54 ? 947 LEU D CB 1 ATOM 5191 C CG . LEU D 1 68 ? 10.350 -14.597 14.487 1.00 64.07 ? 947 LEU D CG 1 ATOM 5192 C CD1 . LEU D 1 68 ? 11.670 -14.981 13.903 1.00 66.63 ? 947 LEU D CD1 1 ATOM 5193 C CD2 . LEU D 1 68 ? 9.833 -13.344 13.864 1.00 67.51 ? 947 LEU D CD2 1 ATOM 5194 N N . VAL D 1 69 ? 9.910 -17.126 17.554 1.00 57.52 ? 948 VAL D N 1 ATOM 5195 C CA . VAL D 1 69 ? 9.582 -16.924 18.967 1.00 57.16 ? 948 VAL D CA 1 ATOM 5196 C C . VAL D 1 69 ? 10.022 -15.532 19.395 1.00 62.33 ? 948 VAL D C 1 ATOM 5197 O O . VAL D 1 69 ? 11.216 -15.250 19.372 1.00 62.12 ? 948 VAL D O 1 ATOM 5198 C CB . VAL D 1 69 ? 10.106 -18.000 19.919 1.00 58.24 ? 948 VAL D CB 1 ATOM 5199 C CG1 . VAL D 1 69 ? 9.548 -17.756 21.310 1.00 57.14 ? 948 VAL D CG1 1 ATOM 5200 C CG2 . VAL D 1 69 ? 9.764 -19.402 19.413 1.00 57.79 ? 948 VAL D CG2 1 ATOM 5201 N N . THR D 1 70 ? 9.045 -14.664 19.727 1.00 58.49 ? 949 THR D N 1 ATOM 5202 C CA . THR D 1 70 ? 9.267 -13.285 20.133 1.00 58.69 ? 949 THR D CA 1 ATOM 5203 C C . THR D 1 70 ? 8.944 -13.073 21.621 1.00 60.92 ? 949 THR D C 1 ATOM 5204 O O . THR D 1 70 ? 8.534 -13.986 22.313 1.00 60.53 ? 949 THR D O 1 ATOM 5205 C CB . THR D 1 70 ? 8.510 -12.333 19.182 1.00 73.90 ? 949 THR D CB 1 ATOM 5206 O OG1 . THR D 1 70 ? 7.116 -12.552 19.300 1.00 79.18 ? 949 THR D OG1 1 ATOM 5207 C CG2 . THR D 1 70 ? 8.918 -12.490 17.725 1.00 69.78 ? 949 THR D CG2 1 ATOM 5208 N N . GLY D 1 71 ? 9.195 -11.877 22.109 1.00 59.74 ? 950 GLY D N 1 ATOM 5209 C CA . GLY D 1 71 ? 8.925 -11.486 23.486 1.00 60.68 ? 950 GLY D CA 1 ATOM 5210 C C . GLY D 1 71 ? 9.723 -12.188 24.557 1.00 66.78 ? 950 GLY D C 1 ATOM 5211 O O . GLY D 1 71 ? 9.300 -12.227 25.716 1.00 70.05 ? 950 GLY D O 1 ATOM 5212 N N . LEU D 1 72 ? 10.875 -12.752 24.190 1.00 60.69 ? 951 LEU D N 1 ATOM 5213 C CA . LEU D 1 72 ? 11.737 -13.468 25.126 1.00 57.14 ? 951 LEU D CA 1 ATOM 5214 C C . LEU D 1 72 ? 12.533 -12.485 25.978 1.00 63.42 ? 951 LEU D C 1 ATOM 5215 O O . LEU D 1 72 ? 12.574 -11.292 25.652 1.00 65.93 ? 951 LEU D O 1 ATOM 5216 C CB . LEU D 1 72 ? 12.653 -14.428 24.349 1.00 54.84 ? 951 LEU D CB 1 ATOM 5217 C CG . LEU D 1 72 ? 11.944 -15.525 23.525 1.00 56.62 ? 951 LEU D CG 1 ATOM 5218 C CD1 . LEU D 1 72 ? 12.898 -16.203 22.569 1.00 56.46 ? 951 LEU D CD1 1 ATOM 5219 C CD2 . LEU D 1 72 ? 11.259 -16.554 24.419 1.00 54.42 ? 951 LEU D CD2 1 ATOM 5220 N N . LYS D 1 73 ? 13.120 -12.953 27.095 1.00 59.57 ? 952 LYS D N 1 ATOM 5221 C CA . LYS D 1 73 ? 13.915 -12.081 27.968 1.00 60.83 ? 952 LYS D CA 1 ATOM 5222 C C . LYS D 1 73 ? 15.345 -12.021 27.456 1.00 65.10 ? 952 LYS D C 1 ATOM 5223 O O . LYS D 1 73 ? 15.844 -13.046 26.988 1.00 64.27 ? 952 LYS D O 1 ATOM 5224 C CB . LYS D 1 73 ? 13.910 -12.587 29.426 1.00 64.05 ? 952 LYS D CB 1 ATOM 5225 C CG . LYS D 1 73 ? 12.623 -12.288 30.197 1.00 79.31 ? 952 LYS D CG 1 ATOM 5226 C CD . LYS D 1 73 ? 12.658 -12.770 31.653 1.00 89.02 ? 952 LYS D CD 1 ATOM 5227 C CE . LYS D 1 73 ? 13.395 -11.868 32.625 1.00 108.69 ? 952 LYS D CE 1 ATOM 5228 N NZ . LYS D 1 73 ? 14.871 -12.107 32.601 1.00 121.44 ? 952 LYS D NZ 1 ATOM 5229 N N . PRO D 1 74 ? 16.055 -10.881 27.550 1.00 63.09 ? 953 PRO D N 1 ATOM 5230 C CA . PRO D 1 74 ? 17.472 -10.874 27.101 1.00 63.48 ? 953 PRO D CA 1 ATOM 5231 C C . PRO D 1 74 ? 18.399 -11.746 27.946 1.00 65.31 ? 953 PRO D C 1 ATOM 5232 O O . PRO D 1 74 ? 18.105 -11.992 29.118 1.00 65.13 ? 953 PRO D O 1 ATOM 5233 C CB . PRO D 1 74 ? 17.889 -9.396 27.191 1.00 66.86 ? 953 PRO D CB 1 ATOM 5234 C CG . PRO D 1 74 ? 16.935 -8.779 28.124 1.00 71.77 ? 953 PRO D CG 1 ATOM 5235 C CD . PRO D 1 74 ? 15.647 -9.566 28.085 1.00 66.01 ? 953 PRO D CD 1 ATOM 5236 N N . ASN D 1 75 ? 19.498 -12.230 27.345 1.00 61.32 ? 954 ASN D N 1 ATOM 5237 C CA . ASN D 1 75 ? 20.503 -13.041 28.032 1.00 63.41 ? 954 ASN D CA 1 ATOM 5238 C C . ASN D 1 75 ? 19.877 -14.212 28.826 1.00 69.05 ? 954 ASN D C 1 ATOM 5239 O O . ASN D 1 75 ? 20.244 -14.447 29.976 1.00 73.10 ? 954 ASN D O 1 ATOM 5240 C CB . ASN D 1 75 ? 21.388 -12.140 28.927 1.00 62.91 ? 954 ASN D CB 1 ATOM 5241 C CG . ASN D 1 75 ? 22.670 -12.751 29.346 1.00 81.50 ? 954 ASN D CG 1 ATOM 5242 O OD1 . ASN D 1 75 ? 23.417 -13.286 28.540 1.00 85.04 ? 954 ASN D OD1 1 ATOM 5243 N ND2 . ASN D 1 75 ? 22.975 -12.646 30.614 1.00 83.16 ? 954 ASN D ND2 1 ATOM 5244 N N . THR D 1 76 ? 18.936 -14.929 28.205 1.00 62.47 ? 955 THR D N 1 ATOM 5245 C CA . THR D 1 76 ? 18.204 -16.030 28.823 1.00 62.93 ? 955 THR D CA 1 ATOM 5246 C C . THR D 1 76 ? 18.222 -17.277 27.949 1.00 66.34 ? 955 THR D C 1 ATOM 5247 O O . THR D 1 76 ? 17.931 -17.201 26.743 1.00 63.55 ? 955 THR D O 1 ATOM 5248 C CB . THR D 1 76 ? 16.752 -15.580 29.154 1.00 71.58 ? 955 THR D CB 1 ATOM 5249 O OG1 . THR D 1 76 ? 16.801 -14.423 29.992 1.00 74.57 ? 955 THR D OG1 1 ATOM 5250 C CG2 . THR D 1 76 ? 15.917 -16.664 29.832 1.00 67.24 ? 955 THR D CG2 1 ATOM 5251 N N . LEU D 1 77 ? 18.516 -18.428 28.587 1.00 64.34 ? 956 LEU D N 1 ATOM 5252 C CA . LEU D 1 77 ? 18.499 -19.744 27.966 1.00 64.33 ? 956 LEU D CA 1 ATOM 5253 C C . LEU D 1 77 ? 17.067 -20.297 27.988 1.00 67.07 ? 956 LEU D C 1 ATOM 5254 O O . LEU D 1 77 ? 16.408 -20.297 29.044 1.00 69.23 ? 956 LEU D O 1 ATOM 5255 C CB . LEU D 1 77 ? 19.459 -20.702 28.695 1.00 67.15 ? 956 LEU D CB 1 ATOM 5256 C CG . LEU D 1 77 ? 19.612 -22.095 28.065 1.00 72.38 ? 956 LEU D CG 1 ATOM 5257 C CD1 . LEU D 1 77 ? 20.256 -22.024 26.678 1.00 71.21 ? 956 LEU D CD1 1 ATOM 5258 C CD2 . LEU D 1 77 ? 20.406 -23.005 28.958 1.00 77.90 ? 956 LEU D CD2 1 ATOM 5259 N N . TYR D 1 78 ? 16.599 -20.732 26.810 1.00 60.02 ? 957 TYR D N 1 ATOM 5260 C CA . TYR D 1 78 ? 15.277 -21.289 26.564 1.00 58.15 ? 957 TYR D CA 1 ATOM 5261 C C . TYR D 1 78 ? 15.423 -22.666 25.957 1.00 64.19 ? 957 TYR D C 1 ATOM 5262 O O . TYR D 1 78 ? 16.416 -22.954 25.272 1.00 59.60 ? 957 TYR D O 1 ATOM 5263 C CB . TYR D 1 78 ? 14.454 -20.393 25.605 1.00 56.24 ? 957 TYR D CB 1 ATOM 5264 C CG . TYR D 1 78 ? 13.987 -19.093 26.214 1.00 56.90 ? 957 TYR D CG 1 ATOM 5265 C CD1 . TYR D 1 78 ? 12.793 -19.021 26.929 1.00 59.37 ? 957 TYR D CD1 1 ATOM 5266 C CD2 . TYR D 1 78 ? 14.729 -17.927 26.071 1.00 57.69 ? 957 TYR D CD2 1 ATOM 5267 C CE1 . TYR D 1 78 ? 12.377 -17.828 27.533 1.00 59.99 ? 957 TYR D CE1 1 ATOM 5268 C CE2 . TYR D 1 78 ? 14.327 -16.732 26.673 1.00 59.11 ? 957 TYR D CE2 1 ATOM 5269 C CZ . TYR D 1 78 ? 13.169 -16.697 27.441 1.00 65.36 ? 957 TYR D CZ 1 ATOM 5270 O OH . TYR D 1 78 ? 12.762 -15.552 28.085 1.00 64.09 ? 957 TYR D OH 1 ATOM 5271 N N . GLU D 1 79 ? 14.415 -23.524 26.237 1.00 68.06 ? 958 GLU D N 1 ATOM 5272 C CA . GLU D 1 79 ? 14.264 -24.884 25.710 1.00 70.62 ? 958 GLU D CA 1 ATOM 5273 C C . GLU D 1 79 ? 13.088 -24.787 24.730 1.00 74.56 ? 958 GLU D C 1 ATOM 5274 O O . GLU D 1 79 ? 12.076 -24.148 25.049 1.00 74.17 ? 958 GLU D O 1 ATOM 5275 C CB . GLU D 1 79 ? 13.850 -25.879 26.811 1.00 75.01 ? 958 GLU D CB 1 ATOM 5276 C CG . GLU D 1 79 ? 14.652 -25.903 28.100 1.00 88.40 ? 958 GLU D CG 1 ATOM 5277 C CD . GLU D 1 79 ? 14.138 -26.882 29.148 1.00 121.93 ? 958 GLU D CD 1 ATOM 5278 O OE1 . GLU D 1 79 ? 13.656 -27.975 28.767 1.00 109.06 ? 958 GLU D OE1 1 ATOM 5279 O OE2 . GLU D 1 79 ? 14.234 -26.564 30.357 1.00 139.72 ? 958 GLU D OE2 1 ATOM 5280 N N . PHE D 1 80 ? 13.205 -25.425 23.567 1.00 70.89 ? 959 PHE D N 1 ATOM 5281 C CA . PHE D 1 80 ? 12.136 -25.426 22.571 1.00 69.46 ? 959 PHE D CA 1 ATOM 5282 C C . PHE D 1 80 ? 11.887 -26.834 22.098 1.00 80.78 ? 959 PHE D C 1 ATOM 5283 O O . PHE D 1 80 ? 12.833 -27.622 21.956 1.00 82.67 ? 959 PHE D O 1 ATOM 5284 C CB . PHE D 1 80 ? 12.490 -24.567 21.354 1.00 68.40 ? 959 PHE D CB 1 ATOM 5285 C CG . PHE D 1 80 ? 12.930 -23.166 21.675 1.00 67.93 ? 959 PHE D CG 1 ATOM 5286 C CD1 . PHE D 1 80 ? 14.271 -22.884 21.935 1.00 70.40 ? 959 PHE D CD1 1 ATOM 5287 C CD2 . PHE D 1 80 ? 12.016 -22.113 21.669 1.00 67.45 ? 959 PHE D CD2 1 ATOM 5288 C CE1 . PHE D 1 80 ? 14.682 -21.584 22.207 1.00 69.89 ? 959 PHE D CE1 1 ATOM 5289 C CE2 . PHE D 1 80 ? 12.430 -20.810 21.941 1.00 68.81 ? 959 PHE D CE2 1 ATOM 5290 C CZ . PHE D 1 80 ? 13.761 -20.557 22.218 1.00 67.20 ? 959 PHE D CZ 1 ATOM 5291 N N . SER D 1 81 ? 10.604 -27.150 21.847 1.00 78.26 ? 960 SER D N 1 ATOM 5292 C CA . SER D 1 81 ? 10.157 -28.436 21.323 1.00 79.13 ? 960 SER D CA 1 ATOM 5293 C C . SER D 1 81 ? 8.910 -28.199 20.517 1.00 81.60 ? 960 SER D C 1 ATOM 5294 O O . SER D 1 81 ? 8.223 -27.182 20.701 1.00 79.55 ? 960 SER D O 1 ATOM 5295 C CB . SER D 1 81 ? 9.979 -29.497 22.408 1.00 83.83 ? 960 SER D CB 1 ATOM 5296 O OG . SER D 1 81 ? 9.644 -28.955 23.675 1.00 95.07 ? 960 SER D OG 1 ATOM 5297 N N . VAL D 1 82 ? 8.698 -29.078 19.526 1.00 77.77 ? 961 VAL D N 1 ATOM 5298 C CA . VAL D 1 82 ? 7.593 -28.990 18.570 1.00 75.04 ? 961 VAL D CA 1 ATOM 5299 C C . VAL D 1 82 ? 6.871 -30.313 18.560 1.00 77.71 ? 961 VAL D C 1 ATOM 5300 O O . VAL D 1 82 ? 7.466 -31.357 18.834 1.00 77.99 ? 961 VAL D O 1 ATOM 5301 C CB . VAL D 1 82 ? 8.064 -28.623 17.107 1.00 76.69 ? 961 VAL D CB 1 ATOM 5302 C CG1 . VAL D 1 82 ? 6.946 -27.986 16.300 1.00 74.01 ? 961 VAL D CG1 1 ATOM 5303 C CG2 . VAL D 1 82 ? 9.301 -27.725 17.097 1.00 75.63 ? 961 VAL D CG2 1 ATOM 5304 N N . MET D 1 83 ? 5.584 -30.257 18.196 1.00 72.68 ? 962 MET D N 1 ATOM 5305 C CA . MET D 1 83 ? 4.704 -31.396 17.966 1.00 72.64 ? 962 MET D CA 1 ATOM 5306 C C . MET D 1 83 ? 3.859 -31.068 16.725 1.00 73.82 ? 962 MET D C 1 ATOM 5307 O O . MET D 1 83 ? 3.833 -29.918 16.281 1.00 69.53 ? 962 MET D O 1 ATOM 5308 C CB . MET D 1 83 ? 3.831 -31.700 19.184 1.00 75.53 ? 962 MET D CB 1 ATOM 5309 C CG . MET D 1 83 ? 2.739 -30.683 19.421 1.00 77.29 ? 962 MET D CG 1 ATOM 5310 S SD . MET D 1 83 ? 1.502 -31.282 20.590 1.00 84.20 ? 962 MET D SD 1 ATOM 5311 C CE . MET D 1 83 ? 0.575 -32.321 19.537 1.00 83.80 ? 962 MET D CE 1 ATOM 5312 N N . VAL D 1 84 ? 3.190 -32.083 16.175 1.00 72.88 ? 963 VAL D N 1 ATOM 5313 C CA . VAL D 1 84 ? 2.312 -31.971 15.029 1.00 73.54 ? 963 VAL D CA 1 ATOM 5314 C C . VAL D 1 84 ? 0.927 -32.516 15.377 1.00 83.64 ? 963 VAL D C 1 ATOM 5315 O O . VAL D 1 84 ? 0.816 -33.486 16.129 1.00 85.39 ? 963 VAL D O 1 ATOM 5316 C CB . VAL D 1 84 ? 2.933 -32.601 13.745 1.00 78.03 ? 963 VAL D CB 1 ATOM 5317 C CG1 . VAL D 1 84 ? 3.174 -34.098 13.883 1.00 80.20 ? 963 VAL D CG1 1 ATOM 5318 C CG2 . VAL D 1 84 ? 2.108 -32.291 12.507 1.00 78.30 ? 963 VAL D CG2 1 ATOM 5319 N N . THR D 1 85 ? -0.120 -31.860 14.849 1.00 82.50 ? 964 THR D N 1 ATOM 5320 C CA . THR D 1 85 ? -1.529 -32.230 14.985 1.00 84.86 ? 964 THR D CA 1 ATOM 5321 C C . THR D 1 85 ? -2.163 -32.154 13.593 1.00 90.79 ? 964 THR D C 1 ATOM 5322 O O . THR D 1 85 ? -1.914 -31.196 12.870 1.00 89.84 ? 964 THR D O 1 ATOM 5323 C CB . THR D 1 85 ? -2.253 -31.271 15.953 1.00 92.35 ? 964 THR D CB 1 ATOM 5324 O OG1 . THR D 1 85 ? -1.543 -31.210 17.192 1.00 94.98 ? 964 THR D OG1 1 ATOM 5325 C CG2 . THR D 1 85 ? -3.704 -31.675 16.204 1.00 93.80 ? 964 THR D CG2 1 ATOM 5326 N N . LYS D 1 86 ? -2.970 -33.154 13.226 1.00 90.55 ? 965 LYS D N 1 ATOM 5327 C CA . LYS D 1 86 ? -3.734 -33.202 11.978 1.00 92.13 ? 965 LYS D CA 1 ATOM 5328 C C . LYS D 1 86 ? -5.069 -33.831 12.349 1.00 99.75 ? 965 LYS D C 1 ATOM 5329 O O . LYS D 1 86 ? -5.218 -35.063 12.345 1.00 101.66 ? 965 LYS D O 1 ATOM 5330 C CB . LYS D 1 86 ? -3.002 -33.982 10.862 1.00 95.34 ? 965 LYS D CB 1 ATOM 5331 C CG . LYS D 1 86 ? -3.671 -33.859 9.487 1.00 107.40 ? 965 LYS D CG 1 ATOM 5332 C CD . LYS D 1 86 ? -2.977 -34.704 8.419 1.00 112.42 ? 965 LYS D CD 1 ATOM 5333 C CE . LYS D 1 86 ? -3.939 -35.612 7.701 1.00 117.56 ? 965 LYS D CE 1 ATOM 5334 N NZ . LYS D 1 86 ? -4.871 -34.851 6.837 1.00 121.49 ? 965 LYS D NZ 1 ATOM 5335 N N . GLY D 1 87 ? -5.992 -32.965 12.760 1.00 97.16 ? 966 GLY D N 1 ATOM 5336 C CA . GLY D 1 87 ? -7.318 -33.367 13.200 1.00 100.90 ? 966 GLY D CA 1 ATOM 5337 C C . GLY D 1 87 ? -7.298 -34.054 14.547 1.00 107.27 ? 966 GLY D C 1 ATOM 5338 O O . GLY D 1 87 ? -6.750 -33.504 15.507 1.00 105.47 ? 966 GLY D O 1 ATOM 5339 N N . ARG D 1 88 ? -7.902 -35.263 14.621 1.00 108.31 ? 967 ARG D N 1 ATOM 5340 C CA . ARG D 1 88 ? -7.992 -36.079 15.845 1.00 110.90 ? 967 ARG D CA 1 ATOM 5341 C C . ARG D 1 88 ? -6.614 -36.617 16.262 1.00 112.14 ? 967 ARG D C 1 ATOM 5342 O O . ARG D 1 88 ? -6.377 -36.831 17.451 1.00 112.34 ? 967 ARG D O 1 ATOM 5343 C CB . ARG D 1 88 ? -8.994 -37.251 15.689 1.00 118.02 ? 967 ARG D CB 1 ATOM 5344 C CG . ARG D 1 88 ? -10.365 -36.909 15.066 1.00 133.74 ? 967 ARG D CG 1 ATOM 5345 C CD . ARG D 1 88 ? -11.476 -37.895 15.413 1.00 149.49 ? 967 ARG D CD 1 ATOM 5346 N NE . ARG D 1 88 ? -11.281 -39.224 14.824 1.00 161.25 ? 967 ARG D NE 1 ATOM 5347 C CZ . ARG D 1 88 ? -12.120 -40.250 14.979 1.00 182.35 ? 967 ARG D CZ 1 ATOM 5348 N NH1 . ARG D 1 88 ? -13.230 -40.110 15.695 1.00 172.87 ? 967 ARG D NH1 1 ATOM 5349 N NH2 . ARG D 1 88 ? -11.856 -41.422 14.414 1.00 171.16 ? 967 ARG D NH2 1 ATOM 5350 N N . ARG D 1 89 ? -5.709 -36.817 15.275 1.00 106.77 ? 968 ARG D N 1 ATOM 5351 C CA . ARG D 1 89 ? -4.346 -37.324 15.469 1.00 105.79 ? 968 ARG D CA 1 ATOM 5352 C C . ARG D 1 89 ? -3.364 -36.224 15.910 1.00 106.59 ? 968 ARG D C 1 ATOM 5353 O O . ARG D 1 89 ? -3.509 -35.053 15.545 1.00 104.58 ? 968 ARG D O 1 ATOM 5354 C CB . ARG D 1 89 ? -3.817 -37.968 14.179 1.00 105.20 ? 968 ARG D CB 1 ATOM 5355 C CG . ARG D 1 89 ? -4.551 -39.224 13.739 1.00 112.18 ? 968 ARG D CG 1 ATOM 5356 C CD . ARG D 1 89 ? -3.880 -39.846 12.532 1.00 109.82 ? 968 ARG D CD 1 ATOM 5357 N NE . ARG D 1 89 ? -2.666 -40.576 12.910 1.00 110.78 ? 968 ARG D NE 1 ATOM 5358 C CZ . ARG D 1 89 ? -1.578 -40.661 12.153 1.00 115.75 ? 968 ARG D CZ 1 ATOM 5359 N NH1 . ARG D 1 89 ? -1.530 -40.046 10.975 1.00 97.73 ? 968 ARG D NH1 1 ATOM 5360 N NH2 . ARG D 1 89 ? -0.519 -41.346 12.575 1.00 95.90 ? 968 ARG D NH2 1 ATOM 5361 N N . SER D 1 90 ? -2.349 -36.625 16.681 1.00 101.79 ? 969 SER D N 1 ATOM 5362 C CA . SER D 1 90 ? -1.280 -35.759 17.163 1.00 97.00 ? 969 SER D CA 1 ATOM 5363 C C . SER D 1 90 ? -0.030 -36.583 17.516 1.00 99.99 ? 969 SER D C 1 ATOM 5364 O O . SER D 1 90 ? -0.127 -37.796 17.672 1.00 103.76 ? 969 SER D O 1 ATOM 5365 C CB . SER D 1 90 ? -1.757 -34.884 18.322 1.00 98.58 ? 969 SER D CB 1 ATOM 5366 O OG . SER D 1 90 ? -1.384 -35.347 19.606 1.00 106.25 ? 969 SER D OG 1 ATOM 5367 N N . SER D 1 91 ? 1.134 -35.933 17.592 1.00 92.38 ? 970 SER D N 1 ATOM 5368 C CA . SER D 1 91 ? 2.403 -36.568 17.932 1.00 93.99 ? 970 SER D CA 1 ATOM 5369 C C . SER D 1 91 ? 2.835 -36.138 19.343 1.00 98.97 ? 970 SER D C 1 ATOM 5370 O O . SER D 1 91 ? 2.191 -35.274 19.961 1.00 97.56 ? 970 SER D O 1 ATOM 5371 C CB . SER D 1 91 ? 3.476 -36.141 16.930 1.00 95.55 ? 970 SER D CB 1 ATOM 5372 O OG . SER D 1 91 ? 4.088 -34.900 17.260 1.00 97.89 ? 970 SER D OG 1 ATOM 5373 N N . THR D 1 92 ? 3.953 -36.703 19.835 1.00 96.69 ? 971 THR D N 1 ATOM 5374 C CA . THR D 1 92 ? 4.533 -36.258 21.099 1.00 95.58 ? 971 THR D CA 1 ATOM 5375 C C . THR D 1 92 ? 5.439 -35.059 20.783 1.00 93.45 ? 971 THR D C 1 ATOM 5376 O O . THR D 1 92 ? 5.508 -34.607 19.635 1.00 90.59 ? 971 THR D O 1 ATOM 5377 C CB . THR D 1 92 ? 5.272 -37.389 21.843 1.00 103.41 ? 971 THR D CB 1 ATOM 5378 O OG1 . THR D 1 92 ? 6.065 -38.147 20.929 1.00 101.41 ? 971 THR D OG1 1 ATOM 5379 C CG2 . THR D 1 92 ? 4.331 -38.286 22.590 1.00 106.51 ? 971 THR D CG2 1 ATOM 5380 N N . TRP D 1 93 ? 6.117 -34.540 21.800 1.00 88.81 ? 972 TRP D N 1 ATOM 5381 C CA . TRP D 1 93 ? 7.029 -33.425 21.624 1.00 83.78 ? 972 TRP D CA 1 ATOM 5382 C C . TRP D 1 93 ? 8.340 -33.942 21.063 1.00 92.33 ? 972 TRP D C 1 ATOM 5383 O O . TRP D 1 93 ? 8.791 -35.038 21.401 1.00 95.92 ? 972 TRP D O 1 ATOM 5384 C CB . TRP D 1 93 ? 7.208 -32.639 22.934 1.00 79.45 ? 972 TRP D CB 1 ATOM 5385 C CG . TRP D 1 93 ? 5.934 -31.972 23.376 1.00 77.26 ? 972 TRP D CG 1 ATOM 5386 C CD1 . TRP D 1 93 ? 5.055 -32.426 24.314 1.00 82.27 ? 972 TRP D CD1 1 ATOM 5387 C CD2 . TRP D 1 93 ? 5.358 -30.771 22.835 1.00 73.17 ? 972 TRP D CD2 1 ATOM 5388 N NE1 . TRP D 1 93 ? 3.978 -31.570 24.412 1.00 79.08 ? 972 TRP D NE1 1 ATOM 5389 C CE2 . TRP D 1 93 ? 4.136 -30.550 23.513 1.00 77.03 ? 972 TRP D CE2 1 ATOM 5390 C CE3 . TRP D 1 93 ? 5.763 -29.848 21.846 1.00 70.60 ? 972 TRP D CE3 1 ATOM 5391 C CZ2 . TRP D 1 93 ? 3.317 -29.443 23.238 1.00 74.26 ? 972 TRP D CZ2 1 ATOM 5392 C CZ3 . TRP D 1 93 ? 4.948 -28.756 21.573 1.00 69.23 ? 972 TRP D CZ3 1 ATOM 5393 C CH2 . TRP D 1 93 ? 3.751 -28.550 22.274 1.00 70.57 ? 972 TRP D CH2 1 ATOM 5394 N N . SER D 1 94 ? 8.907 -33.172 20.150 1.00 89.07 ? 973 SER D N 1 ATOM 5395 C CA . SER D 1 94 ? 10.166 -33.454 19.479 1.00 91.69 ? 973 SER D CA 1 ATOM 5396 C C . SER D 1 94 ? 11.338 -33.401 20.464 1.00 101.50 ? 973 SER D C 1 ATOM 5397 O O . SER D 1 94 ? 11.166 -33.107 21.652 1.00 99.98 ? 973 SER D O 1 ATOM 5398 C CB . SER D 1 94 ? 10.400 -32.404 18.388 1.00 90.48 ? 973 SER D CB 1 ATOM 5399 O OG . SER D 1 94 ? 10.722 -31.126 18.922 1.00 85.56 ? 973 SER D OG 1 ATOM 5400 N N . MET D 1 95 ? 12.546 -33.620 19.927 1.00 104.70 ? 974 MET D N 1 ATOM 5401 C CA . MET D 1 95 ? 13.814 -33.439 20.624 1.00 108.33 ? 974 MET D CA 1 ATOM 5402 C C . MET D 1 95 ? 13.829 -31.967 21.062 1.00 107.48 ? 974 MET D C 1 ATOM 5403 O O . MET D 1 95 ? 13.166 -31.131 20.438 1.00 103.76 ? 974 MET D O 1 ATOM 5404 C CB . MET D 1 95 ? 15.001 -33.700 19.657 1.00 114.36 ? 974 MET D CB 1 ATOM 5405 C CG . MET D 1 95 ? 14.922 -32.890 18.333 1.00 116.84 ? 974 MET D CG 1 ATOM 5406 S SD . MET D 1 95 ? 16.494 -32.459 17.524 1.00 124.34 ? 974 MET D SD 1 ATOM 5407 C CE . MET D 1 95 ? 16.624 -33.869 16.378 1.00 126.12 ? 974 MET D CE 1 ATOM 5408 N N . THR D 1 96 ? 14.551 -31.649 22.120 1.00 104.51 ? 975 THR D N 1 ATOM 5409 C CA . THR D 1 96 ? 14.592 -30.261 22.567 1.00 100.38 ? 975 THR D CA 1 ATOM 5410 C C . THR D 1 96 ? 15.767 -29.522 21.974 1.00 100.19 ? 975 THR D C 1 ATOM 5411 O O . THR D 1 96 ? 16.897 -30.023 21.981 1.00 104.62 ? 975 THR D O 1 ATOM 5412 C CB . THR D 1 96 ? 14.533 -30.123 24.093 1.00 113.05 ? 975 THR D CB 1 ATOM 5413 O OG1 . THR D 1 96 ? 15.601 -30.886 24.653 1.00 122.67 ? 975 THR D OG1 1 ATOM 5414 C CG2 . THR D 1 96 ? 13.190 -30.562 24.675 1.00 113.17 ? 975 THR D CG2 1 ATOM 5415 N N . ALA D 1 97 ? 15.489 -28.330 21.453 1.00 87.75 ? 976 ALA D N 1 ATOM 5416 C CA . ALA D 1 97 ? 16.494 -27.424 20.946 1.00 85.06 ? 976 ALA D CA 1 ATOM 5417 C C . ALA D 1 97 ? 16.692 -26.364 22.050 1.00 87.00 ? 976 ALA D C 1 ATOM 5418 O O . ALA D 1 97 ? 15.761 -26.064 22.808 1.00 86.85 ? 976 ALA D O 1 ATOM 5419 C CB . ALA D 1 97 ? 16.003 -26.778 19.665 1.00 83.12 ? 976 ALA D CB 1 ATOM 5420 N N . HIS D 1 98 ? 17.913 -25.864 22.188 1.00 82.40 ? 977 HIS D N 1 ATOM 5421 C CA . HIS D 1 98 ? 18.224 -24.855 23.189 1.00 80.68 ? 977 HIS D CA 1 ATOM 5422 C C . HIS D 1 98 ? 18.762 -23.628 22.508 1.00 77.89 ? 977 HIS D C 1 ATOM 5423 O O . HIS D 1 98 ? 19.439 -23.718 21.477 1.00 76.20 ? 977 HIS D O 1 ATOM 5424 C CB . HIS D 1 98 ? 19.226 -25.371 24.211 1.00 85.51 ? 977 HIS D CB 1 ATOM 5425 C CG . HIS D 1 98 ? 18.661 -26.422 25.098 1.00 91.52 ? 977 HIS D CG 1 ATOM 5426 N ND1 . HIS D 1 98 ? 18.637 -27.747 24.706 1.00 96.40 ? 977 HIS D ND1 1 ATOM 5427 C CD2 . HIS D 1 98 ? 18.119 -26.316 26.336 1.00 94.05 ? 977 HIS D CD2 1 ATOM 5428 C CE1 . HIS D 1 98 ? 18.077 -28.406 25.709 1.00 97.68 ? 977 HIS D CE1 1 ATOM 5429 N NE2 . HIS D 1 98 ? 17.759 -27.589 26.720 1.00 96.72 ? 977 HIS D NE2 1 ATOM 5430 N N . GLY D 1 99 ? 18.436 -22.491 23.095 1.00 69.97 ? 978 GLY D N 1 ATOM 5431 C CA . GLY D 1 99 ? 18.814 -21.211 22.551 1.00 67.86 ? 978 GLY D CA 1 ATOM 5432 C C . GLY D 1 99 ? 18.754 -20.147 23.611 1.00 71.00 ? 978 GLY D C 1 ATOM 5433 O O . GLY D 1 99 ? 17.752 -20.019 24.331 1.00 70.27 ? 978 GLY D O 1 ATOM 5434 N N . ALA D 1 100 ? 19.856 -19.392 23.714 1.00 67.19 ? 979 ALA D N 1 ATOM 5435 C CA . ALA D 1 100 ? 19.961 -18.284 24.636 1.00 66.24 ? 979 ALA D CA 1 ATOM 5436 C C . ALA D 1 100 ? 19.910 -16.972 23.839 1.00 68.02 ? 979 ALA D C 1 ATOM 5437 O O . ALA D 1 100 ? 20.641 -16.811 22.852 1.00 65.87 ? 979 ALA D O 1 ATOM 5438 C CB . ALA D 1 100 ? 21.249 -18.387 25.439 1.00 69.14 ? 979 ALA D CB 1 ATOM 5439 N N . THR D 1 101 ? 19.008 -16.055 24.254 1.00 63.48 ? 980 THR D N 1 ATOM 5440 C CA . THR D 1 101 ? 18.848 -14.744 23.622 1.00 62.20 ? 980 THR D CA 1 ATOM 5441 C C . THR D 1 101 ? 20.085 -13.916 23.875 1.00 66.35 ? 980 THR D C 1 ATOM 5442 O O . THR D 1 101 ? 20.788 -14.116 24.871 1.00 66.38 ? 980 THR D O 1 ATOM 5443 C CB . THR D 1 101 ? 17.633 -14.001 24.189 1.00 67.03 ? 980 THR D CB 1 ATOM 5444 O OG1 . THR D 1 101 ? 17.678 -14.027 25.609 1.00 72.45 ? 980 THR D OG1 1 ATOM 5445 C CG2 . THR D 1 101 ? 16.324 -14.547 23.684 1.00 59.03 ? 980 THR D CG2 1 ATOM 5446 N N . PHE D 1 102 ? 20.340 -12.961 22.984 1.00 62.45 ? 981 PHE D N 1 ATOM 5447 C CA . PHE D 1 102 ? 21.472 -12.047 23.110 1.00 61.54 ? 981 PHE D CA 1 ATOM 5448 C C . PHE D 1 102 ? 21.270 -11.102 24.290 1.00 64.69 ? 981 PHE D C 1 ATOM 5449 O O . PHE D 1 102 ? 20.187 -11.004 24.886 1.00 63.55 ? 981 PHE D O 1 ATOM 5450 C CB . PHE D 1 102 ? 21.617 -11.208 21.846 1.00 64.09 ? 981 PHE D CB 1 ATOM 5451 C CG . PHE D 1 102 ? 21.921 -11.933 20.567 1.00 65.53 ? 981 PHE D CG 1 ATOM 5452 C CD1 . PHE D 1 102 ? 22.590 -13.152 20.579 1.00 66.35 ? 981 PHE D CD1 1 ATOM 5453 C CD2 . PHE D 1 102 ? 21.634 -11.349 19.339 1.00 68.36 ? 981 PHE D CD2 1 ATOM 5454 C CE1 . PHE D 1 102 ? 22.920 -13.801 19.384 1.00 67.06 ? 981 PHE D CE1 1 ATOM 5455 C CE2 . PHE D 1 102 ? 21.955 -12.005 18.144 1.00 70.48 ? 981 PHE D CE2 1 ATOM 5456 C CZ . PHE D 1 102 ? 22.596 -13.223 18.178 1.00 67.31 ? 981 PHE D CZ 1 ATOM 5457 N N . GLU D 1 103 ? 22.335 -10.414 24.634 1.00 63.17 ? 982 GLU D N 1 ATOM 5458 C CA . GLU D 1 103 ? 22.319 -9.446 25.694 1.00 62.59 ? 982 GLU D CA 1 ATOM 5459 C C . GLU D 1 103 ? 21.625 -8.196 25.161 1.00 68.59 ? 982 GLU D C 1 ATOM 5460 O O . GLU D 1 103 ? 21.374 -8.085 23.956 1.00 67.14 ? 982 GLU D O 1 ATOM 5461 C CB . GLU D 1 103 ? 23.728 -9.108 26.110 1.00 65.71 ? 982 GLU D CB 1 ATOM 5462 C CG . GLU D 1 103 ? 24.450 -10.236 26.816 1.00 73.41 ? 982 GLU D CG 1 ATOM 5463 C CD . GLU D 1 103 ? 25.757 -9.824 27.442 1.00 90.18 ? 982 GLU D CD 1 ATOM 5464 O OE1 . GLU D 1 103 ? 26.146 -8.641 27.271 1.00 79.29 ? 982 GLU D OE1 1 ATOM 5465 O OE2 . GLU D 1 103 ? 26.367 -10.671 28.140 1.00 98.43 ? 982 GLU D OE2 1 ATOM 5466 N N . LEU D 1 104 ? 21.292 -7.283 26.077 1.00 61.20 ? 983 LEU D N 1 ATOM 5467 C CA . LEU D 1 104 ? 20.645 -6.015 25.817 1.00 58.77 ? 983 LEU D CA 1 ATOM 5468 C C . LEU D 1 104 ? 21.227 -5.089 26.841 1.00 62.41 ? 983 LEU D C 1 ATOM 5469 O O . LEU D 1 104 ? 21.713 -5.565 27.865 1.00 61.65 ? 983 LEU D O 1 ATOM 5470 C CB . LEU D 1 104 ? 19.129 -6.158 26.032 1.00 58.55 ? 983 LEU D CB 1 ATOM 5471 C CG . LEU D 1 104 ? 18.217 -4.891 25.870 1.00 60.54 ? 983 LEU D CG 1 ATOM 5472 C CD1 . LEU D 1 104 ? 17.988 -4.539 24.438 1.00 59.70 ? 983 LEU D CD1 1 ATOM 5473 C CD2 . LEU D 1 104 ? 16.895 -5.046 26.576 1.00 55.74 ? 983 LEU D CD2 1 ATOM 5474 N N . VAL D 1 105 ? 21.224 -3.771 26.563 1.00 59.70 ? 984 VAL D N 1 ATOM 5475 C CA . VAL D 1 105 ? 21.730 -2.751 27.482 1.00 58.02 ? 984 VAL D CA 1 ATOM 5476 C C . VAL D 1 105 ? 21.017 -2.899 28.802 1.00 60.89 ? 984 VAL D C 1 ATOM 5477 O O . VAL D 1 105 ? 19.845 -3.288 28.813 1.00 61.55 ? 984 VAL D O 1 ATOM 5478 C CB . VAL D 1 105 ? 21.569 -1.299 26.955 1.00 61.17 ? 984 VAL D CB 1 ATOM 5479 C CG1 . VAL D 1 105 ? 22.631 -0.968 25.928 1.00 62.15 ? 984 VAL D CG1 1 ATOM 5480 C CG2 . VAL D 1 105 ? 20.164 -1.052 26.405 1.00 61.28 ? 984 VAL D CG2 1 ATOM 5481 N N . PRO D 1 106 ? 21.669 -2.560 29.930 1.00 57.70 ? 985 PRO D N 1 ATOM 5482 C CA . PRO D 1 106 ? 20.944 -2.602 31.206 1.00 57.13 ? 985 PRO D CA 1 ATOM 5483 C C . PRO D 1 106 ? 19.681 -1.735 31.110 1.00 61.33 ? 985 PRO D C 1 ATOM 5484 O O . PRO D 1 106 ? 19.678 -0.707 30.415 1.00 58.77 ? 985 PRO D O 1 ATOM 5485 C CB . PRO D 1 106 ? 21.978 -2.045 32.193 1.00 58.50 ? 985 PRO D CB 1 ATOM 5486 C CG . PRO D 1 106 ? 23.308 -2.263 31.568 1.00 61.59 ? 985 PRO D CG 1 ATOM 5487 C CD . PRO D 1 106 ? 23.063 -2.075 30.122 1.00 58.40 ? 985 PRO D CD 1 ATOM 5488 N N . THR D 1 107 ? 18.565 -2.205 31.687 1.00 62.60 ? 986 THR D N 1 ATOM 5489 C CA . THR D 1 107 ? 17.303 -1.436 31.599 1.00 63.68 ? 986 THR D CA 1 ATOM 5490 C C . THR D 1 107 ? 16.853 -0.940 32.967 1.00 67.97 ? 986 THR D C 1 ATOM 5491 O O . THR D 1 107 ? 15.713 -0.476 33.136 1.00 67.07 ? 986 THR D O 1 ATOM 5492 C CB . THR D 1 107 ? 16.226 -2.175 30.821 1.00 68.50 ? 986 THR D CB 1 ATOM 5493 O OG1 . THR D 1 107 ? 16.030 -3.434 31.437 1.00 71.09 ? 986 THR D OG1 1 ATOM 5494 C CG2 . THR D 1 107 ? 16.586 -2.350 29.349 1.00 64.45 ? 986 THR D CG2 1 ATOM 5495 N N . SER D 1 108 ? 17.783 -1.031 33.941 1.00 63.04 ? 987 SER D N 1 ATOM 5496 C CA . SER D 1 108 ? 17.585 -0.648 35.320 1.00 62.70 ? 987 SER D CA 1 ATOM 5497 C C . SER D 1 108 ? 18.909 -0.063 35.852 1.00 66.11 ? 987 SER D C 1 ATOM 5498 O O . SER D 1 108 ? 19.994 -0.384 35.342 1.00 65.21 ? 987 SER D O 1 ATOM 5499 C CB . SER D 1 108 ? 17.076 -1.846 36.130 1.00 67.03 ? 987 SER D CB 1 ATOM 5500 O OG . SER D 1 108 ? 17.968 -2.446 37.057 1.00 74.81 ? 987 SER D OG 1 ATOM 5501 N N . PRO D 1 109 ? 18.858 0.852 36.829 1.00 62.95 ? 988 PRO D N 1 ATOM 5502 C CA . PRO D 1 109 ? 20.117 1.438 37.331 1.00 60.74 ? 988 PRO D CA 1 ATOM 5503 C C . PRO D 1 109 ? 20.815 0.573 38.381 1.00 66.38 ? 988 PRO D C 1 ATOM 5504 O O . PRO D 1 109 ? 20.148 -0.247 39.026 1.00 65.84 ? 988 PRO D O 1 ATOM 5505 C CB . PRO D 1 109 ? 19.633 2.729 37.990 1.00 61.99 ? 988 PRO D CB 1 ATOM 5506 C CG . PRO D 1 109 ? 18.241 2.472 38.397 1.00 67.63 ? 988 PRO D CG 1 ATOM 5507 C CD . PRO D 1 109 ? 17.677 1.385 37.553 1.00 64.30 ? 988 PRO D CD 1 ATOM 5508 N N . PRO D 1 110 ? 22.124 0.834 38.681 1.00 65.96 ? 989 PRO D N 1 ATOM 5509 C CA . PRO D 1 110 ? 22.759 0.136 39.811 1.00 66.62 ? 989 PRO D CA 1 ATOM 5510 C C . PRO D 1 110 ? 21.940 0.448 41.076 1.00 73.49 ? 989 PRO D C 1 ATOM 5511 O O . PRO D 1 110 ? 21.505 1.591 41.280 1.00 72.57 ? 989 PRO D O 1 ATOM 5512 C CB . PRO D 1 110 ? 24.160 0.756 39.877 1.00 67.22 ? 989 PRO D CB 1 ATOM 5513 C CG . PRO D 1 110 ? 24.392 1.342 38.527 1.00 70.08 ? 989 PRO D CG 1 ATOM 5514 C CD . PRO D 1 110 ? 23.057 1.812 38.072 1.00 66.03 ? 989 PRO D CD 1 ATOM 5515 N N . LYS D 1 111 ? 21.632 -0.605 41.847 1.00 71.11 ? 990 LYS D N 1 ATOM 5516 C CA . LYS D 1 111 ? 20.842 -0.583 43.074 1.00 71.53 ? 990 LYS D CA 1 ATOM 5517 C C . LYS D 1 111 ? 21.662 -0.182 44.289 1.00 79.84 ? 990 LYS D C 1 ATOM 5518 O O . LYS D 1 111 ? 22.896 -0.249 44.252 1.00 81.80 ? 990 LYS D O 1 ATOM 5519 C CB . LYS D 1 111 ? 20.325 -1.995 43.348 1.00 74.68 ? 990 LYS D CB 1 ATOM 5520 C CG . LYS D 1 111 ? 19.196 -2.446 42.462 1.00 76.41 ? 990 LYS D CG 1 ATOM 5521 C CD . LYS D 1 111 ? 19.031 -3.960 42.523 1.00 85.74 ? 990 LYS D CD 1 ATOM 5522 C CE . LYS D 1 111 ? 18.139 -4.446 43.647 1.00 98.19 ? 990 LYS D CE 1 ATOM 5523 N NZ . LYS D 1 111 ? 16.712 -4.079 43.453 1.00 107.97 ? 990 LYS D NZ 1 ATOM 5524 N N . ASP D 1 112 ? 20.950 0.181 45.394 1.00 77.04 ? 991 ASP D N 1 ATOM 5525 C CA . ASP D 1 112 ? 21.449 0.476 46.734 1.00 78.64 ? 991 ASP D CA 1 ATOM 5526 C C . ASP D 1 112 ? 22.690 1.369 46.805 1.00 82.45 ? 991 ASP D C 1 ATOM 5527 O O . ASP D 1 112 ? 23.618 1.096 47.581 1.00 86.01 ? 991 ASP D O 1 ATOM 5528 C CB . ASP D 1 112 ? 21.619 -0.828 47.559 1.00 84.43 ? 991 ASP D CB 1 ATOM 5529 C CG . ASP D 1 112 ? 20.502 -1.863 47.424 1.00 110.32 ? 991 ASP D CG 1 ATOM 5530 O OD1 . ASP D 1 112 ? 19.320 -1.501 47.647 1.00 114.23 ? 991 ASP D OD1 1 ATOM 5531 O OD2 . ASP D 1 112 ? 20.816 -3.050 47.134 1.00 121.49 ? 991 ASP D OD2 1 ATOM 5532 N N . VAL D 1 113 ? 22.687 2.463 46.019 1.00 75.82 ? 992 VAL D N 1 ATOM 5533 C CA . VAL D 1 113 ? 23.783 3.445 45.993 1.00 74.30 ? 992 VAL D CA 1 ATOM 5534 C C . VAL D 1 113 ? 23.865 4.163 47.353 1.00 79.26 ? 992 VAL D C 1 ATOM 5535 O O . VAL D 1 113 ? 22.840 4.632 47.860 1.00 78.56 ? 992 VAL D O 1 ATOM 5536 C CB . VAL D 1 113 ? 23.679 4.451 44.816 1.00 75.17 ? 992 VAL D CB 1 ATOM 5537 C CG1 . VAL D 1 113 ? 24.837 5.431 44.823 1.00 74.31 ? 992 VAL D CG1 1 ATOM 5538 C CG2 . VAL D 1 113 ? 23.605 3.731 43.473 1.00 73.74 ? 992 VAL D CG2 1 ATOM 5539 N N . THR D 1 114 ? 25.080 4.189 47.956 1.00 76.46 ? 993 THR D N 1 ATOM 5540 C CA . THR D 1 114 ? 25.373 4.850 49.227 1.00 77.90 ? 993 THR D CA 1 ATOM 5541 C C . THR D 1 114 ? 26.726 5.564 49.141 1.00 83.55 ? 993 THR D C 1 ATOM 5542 O O . THR D 1 114 ? 27.610 5.131 48.396 1.00 82.49 ? 993 THR D O 1 ATOM 5543 C CB . THR D 1 114 ? 25.379 3.857 50.422 1.00 78.96 ? 993 THR D CB 1 ATOM 5544 O OG1 . THR D 1 114 ? 26.412 2.876 50.268 1.00 76.58 ? 993 THR D OG1 1 ATOM 5545 C CG2 . THR D 1 114 ? 24.021 3.204 50.677 1.00 71.09 ? 993 THR D CG2 1 ATOM 5546 N N . VAL D 1 115 ? 26.880 6.657 49.927 1.00 81.35 ? 994 VAL D N 1 ATOM 5547 C CA . VAL D 1 115 ? 28.106 7.453 50.011 1.00 80.24 ? 994 VAL D CA 1 ATOM 5548 C C . VAL D 1 115 ? 28.486 7.652 51.487 1.00 88.60 ? 994 VAL D C 1 ATOM 5549 O O . VAL D 1 115 ? 27.650 8.038 52.297 1.00 90.04 ? 994 VAL D O 1 ATOM 5550 C CB . VAL D 1 115 ? 28.027 8.803 49.242 1.00 79.85 ? 994 VAL D CB 1 ATOM 5551 C CG1 . VAL D 1 115 ? 29.384 9.512 49.241 1.00 79.91 ? 994 VAL D CG1 1 ATOM 5552 C CG2 . VAL D 1 115 ? 27.523 8.614 47.810 1.00 76.68 ? 994 VAL D CG2 1 ATOM 5553 N N . VAL D 1 116 ? 29.744 7.368 51.829 1.00 87.00 ? 995 VAL D N 1 ATOM 5554 C CA . VAL D 1 116 ? 30.282 7.546 53.177 1.00 89.61 ? 995 VAL D CA 1 ATOM 5555 C C . VAL D 1 116 ? 31.609 8.298 53.071 1.00 94.05 ? 995 VAL D C 1 ATOM 5556 O O . VAL D 1 116 ? 32.251 8.279 52.024 1.00 92.66 ? 995 VAL D O 1 ATOM 5557 C CB . VAL D 1 116 ? 30.440 6.215 53.973 1.00 96.82 ? 995 VAL D CB 1 ATOM 5558 C CG1 . VAL D 1 116 ? 29.086 5.554 54.237 1.00 96.04 ? 995 VAL D CG1 1 ATOM 5559 C CG2 . VAL D 1 116 ? 31.414 5.245 53.293 1.00 98.13 ? 995 VAL D CG2 1 ATOM 5560 N N . SER D 1 117 ? 32.025 8.952 54.149 1.00 92.34 ? 996 SER D N 1 ATOM 5561 C CA . SER D 1 117 ? 33.313 9.637 54.176 1.00 91.83 ? 996 SER D CA 1 ATOM 5562 C C . SER D 1 117 ? 34.333 8.593 54.573 1.00 98.44 ? 996 SER D C 1 ATOM 5563 O O . SER D 1 117 ? 34.035 7.724 55.407 1.00 100.11 ? 996 SER D O 1 ATOM 5564 C CB . SER D 1 117 ? 33.304 10.797 55.171 1.00 92.68 ? 996 SER D CB 1 ATOM 5565 O OG . SER D 1 117 ? 33.433 12.034 54.486 1.00 91.80 ? 996 SER D OG 1 ATOM 5566 N N . LYS D 1 118 ? 35.504 8.626 53.915 1.00 95.60 ? 997 LYS D N 1 ATOM 5567 C CA . LYS D 1 118 ? 36.606 7.719 54.209 1.00 99.94 ? 997 LYS D CA 1 ATOM 5568 C C . LYS D 1 118 ? 37.162 8.060 55.620 1.00 112.35 ? 997 LYS D C 1 ATOM 5569 O O . LYS D 1 118 ? 37.270 9.243 55.994 1.00 111.50 ? 997 LYS D O 1 ATOM 5570 C CB . LYS D 1 118 ? 37.684 7.805 53.120 1.00 100.75 ? 997 LYS D CB 1 ATOM 5571 C CG . LYS D 1 118 ? 38.720 6.696 53.208 1.00 112.18 ? 997 LYS D CG 1 ATOM 5572 C CD . LYS D 1 118 ? 39.956 7.059 52.406 1.00 122.03 ? 997 LYS D CD 1 ATOM 5573 C CE . LYS D 1 118 ? 40.996 5.975 52.412 1.00 130.13 ? 997 LYS D CE 1 ATOM 5574 N NZ . LYS D 1 118 ? 42.036 6.221 51.381 1.00 137.13 ? 997 LYS D NZ 1 ATOM 5575 N N . GLU D 1 119 ? 37.444 7.016 56.424 1.00 115.29 ? 998 GLU D N 1 ATOM 5576 C CA . GLU D 1 119 ? 37.929 7.161 57.801 1.00 120.09 ? 998 GLU D CA 1 ATOM 5577 C C . GLU D 1 119 ? 39.213 7.994 57.849 1.00 125.95 ? 998 GLU D C 1 ATOM 5578 O O . GLU D 1 119 ? 40.185 7.674 57.159 1.00 127.27 ? 998 GLU D O 1 ATOM 5579 C CB . GLU D 1 119 ? 38.119 5.781 58.462 1.00 126.71 ? 998 GLU D CB 1 ATOM 5580 C CG . GLU D 1 119 ? 37.860 5.747 59.966 1.00 144.94 ? 998 GLU D CG 1 ATOM 5581 C CD . GLU D 1 119 ? 36.434 6.048 60.402 1.00 170.58 ? 998 GLU D CD 1 ATOM 5582 O OE1 . GLU D 1 119 ? 35.526 5.230 60.124 1.00 156.63 ? 998 GLU D OE1 1 ATOM 5583 O OE2 . GLU D 1 119 ? 36.229 7.109 61.034 1.00 181.83 ? 998 GLU D OE2 1 ATOM 5584 N N . GLY D 1 120 ? 39.153 9.102 58.593 1.00 121.84 ? 999 GLY D N 1 ATOM 5585 C CA . GLY D 1 120 ? 40.250 10.048 58.770 1.00 123.06 ? 999 GLY D CA 1 ATOM 5586 C C . GLY D 1 120 ? 40.615 10.888 57.558 1.00 122.54 ? 999 GLY D C 1 ATOM 5587 O O . GLY D 1 120 ? 41.633 11.584 57.594 1.00 124.52 ? 999 GLY D O 1 ATOM 5588 N N . LYS D 1 121 ? 39.798 10.827 56.471 1.00 112.72 ? 1000 LYS D N 1 ATOM 5589 C CA . LYS D 1 121 ? 40.025 11.580 55.232 1.00 108.60 ? 1000 LYS D CA 1 ATOM 5590 C C . LYS D 1 121 ? 38.745 12.324 54.835 1.00 104.93 ? 1000 LYS D C 1 ATOM 5591 O O . LYS D 1 121 ? 37.929 11.777 54.104 1.00 99.70 ? 1000 LYS D O 1 ATOM 5592 C CB . LYS D 1 121 ? 40.532 10.667 54.093 1.00 110.98 ? 1000 LYS D CB 1 ATOM 5593 C CG . LYS D 1 121 ? 41.944 10.095 54.286 1.00 129.45 ? 1000 LYS D CG 1 ATOM 5594 C CD . LYS D 1 121 ? 43.095 11.134 54.198 1.00 141.75 ? 1000 LYS D CD 1 ATOM 5595 C CE . LYS D 1 121 ? 42.884 12.296 53.240 1.00 154.06 ? 1000 LYS D CE 1 ATOM 5596 N NZ . LYS D 1 121 ? 43.699 13.487 53.603 1.00 166.79 ? 1000 LYS D NZ 1 ATOM 5597 N N . PRO D 1 122 ? 38.530 13.557 55.352 1.00 100.55 ? 1001 PRO D N 1 ATOM 5598 C CA . PRO D 1 122 ? 37.274 14.278 55.054 1.00 95.92 ? 1001 PRO D CA 1 ATOM 5599 C C . PRO D 1 122 ? 37.052 14.671 53.589 1.00 97.26 ? 1001 PRO D C 1 ATOM 5600 O O . PRO D 1 122 ? 35.898 14.693 53.127 1.00 94.05 ? 1001 PRO D O 1 ATOM 5601 C CB . PRO D 1 122 ? 37.342 15.493 55.977 1.00 98.76 ? 1001 PRO D CB 1 ATOM 5602 C CG . PRO D 1 122 ? 38.780 15.678 56.283 1.00 106.66 ? 1001 PRO D CG 1 ATOM 5603 C CD . PRO D 1 122 ? 39.383 14.320 56.289 1.00 104.54 ? 1001 PRO D CD 1 ATOM 5604 N N . ARG D 1 123 ? 38.152 14.960 52.856 1.00 94.08 ? 1002 ARG D N 1 ATOM 5605 C CA . ARG D 1 123 ? 38.111 15.348 51.442 1.00 91.32 ? 1002 ARG D CA 1 ATOM 5606 C C . ARG D 1 123 ? 37.911 14.129 50.491 1.00 94.01 ? 1002 ARG D C 1 ATOM 5607 O O . ARG D 1 123 ? 37.769 14.292 49.270 1.00 91.87 ? 1002 ARG D O 1 ATOM 5608 C CB . ARG D 1 123 ? 39.375 16.138 51.073 1.00 94.54 ? 1002 ARG D CB 1 ATOM 5609 C CG . ARG D 1 123 ? 39.437 17.516 51.700 1.00 105.66 ? 1002 ARG D CG 1 ATOM 5610 C CD . ARG D 1 123 ? 40.505 18.436 51.121 1.00 129.31 ? 1002 ARG D CD 1 ATOM 5611 N NE . ARG D 1 123 ? 40.554 18.579 49.661 1.00 144.22 ? 1002 ARG D NE 1 ATOM 5612 C CZ . ARG D 1 123 ? 39.928 19.514 48.950 1.00 160.59 ? 1002 ARG D CZ 1 ATOM 5613 N NH1 . ARG D 1 123 ? 39.080 20.351 49.537 1.00 147.71 ? 1002 ARG D NH1 1 ATOM 5614 N NH2 . ARG D 1 123 ? 40.086 19.568 47.635 1.00 151.24 ? 1002 ARG D NH2 1 ATOM 5615 N N . THR D 1 124 ? 37.889 12.915 51.073 1.00 91.87 ? 1003 THR D N 1 ATOM 5616 C CA . THR D 1 124 ? 37.714 11.640 50.382 1.00 91.11 ? 1003 THR D CA 1 ATOM 5617 C C . THR D 1 124 ? 36.373 11.007 50.778 1.00 93.99 ? 1003 THR D C 1 ATOM 5618 O O . THR D 1 124 ? 35.993 11.020 51.959 1.00 94.44 ? 1003 THR D O 1 ATOM 5619 C CB . THR D 1 124 ? 38.876 10.680 50.693 1.00 106.00 ? 1003 THR D CB 1 ATOM 5620 O OG1 . THR D 1 124 ? 40.123 11.386 50.692 1.00 115.53 ? 1003 THR D OG1 1 ATOM 5621 C CG2 . THR D 1 124 ? 38.941 9.524 49.733 1.00 102.54 ? 1003 THR D CG2 1 ATOM 5622 N N . ILE D 1 125 ? 35.658 10.457 49.768 1.00 87.99 ? 1004 ILE D N 1 ATOM 5623 C CA . ILE D 1 125 ? 34.390 9.748 49.935 1.00 85.95 ? 1004 ILE D CA 1 ATOM 5624 C C . ILE D 1 125 ? 34.467 8.349 49.297 1.00 91.15 ? 1004 ILE D C 1 ATOM 5625 O O . ILE D 1 125 ? 35.242 8.140 48.359 1.00 92.51 ? 1004 ILE D O 1 ATOM 5626 C CB . ILE D 1 125 ? 33.126 10.558 49.449 1.00 85.54 ? 1004 ILE D CB 1 ATOM 5627 C CG1 . ILE D 1 125 ? 33.060 10.740 47.915 1.00 83.39 ? 1004 ILE D CG1 1 ATOM 5628 C CG2 . ILE D 1 125 ? 32.927 11.881 50.198 1.00 86.30 ? 1004 ILE D CG2 1 ATOM 5629 C CD1 . ILE D 1 125 ? 32.403 9.682 47.181 1.00 80.31 ? 1004 ILE D CD1 1 ATOM 5630 N N . ILE D 1 126 ? 33.618 7.417 49.771 1.00 86.48 ? 1005 ILE D N 1 ATOM 5631 C CA . ILE D 1 126 ? 33.491 6.071 49.222 1.00 85.02 ? 1005 ILE D CA 1 ATOM 5632 C C . ILE D 1 126 ? 32.065 5.825 48.709 1.00 86.48 ? 1005 ILE D C 1 ATOM 5633 O O . ILE D 1 126 ? 31.088 5.937 49.473 1.00 86.82 ? 1005 ILE D O 1 ATOM 5634 C CB . ILE D 1 126 ? 33.926 4.982 50.213 1.00 91.09 ? 1005 ILE D CB 1 ATOM 5635 C CG1 . ILE D 1 126 ? 35.328 5.275 50.793 1.00 95.02 ? 1005 ILE D CG1 1 ATOM 5636 C CG2 . ILE D 1 126 ? 33.885 3.617 49.536 1.00 92.82 ? 1005 ILE D CG2 1 ATOM 5637 C CD1 . ILE D 1 126 ? 35.480 4.818 52.197 1.00 105.00 ? 1005 ILE D CD1 1 ATOM 5638 N N . VAL D 1 127 ? 31.957 5.460 47.417 1.00 79.35 ? 1006 VAL D N 1 ATOM 5639 C CA . VAL D 1 127 ? 30.674 5.130 46.789 1.00 75.55 ? 1006 VAL D CA 1 ATOM 5640 C C . VAL D 1 127 ? 30.528 3.614 46.831 1.00 78.16 ? 1006 VAL D C 1 ATOM 5641 O O . VAL D 1 127 ? 31.517 2.893 46.608 1.00 79.06 ? 1006 VAL D O 1 ATOM 5642 C CB . VAL D 1 127 ? 30.527 5.686 45.353 1.00 76.72 ? 1006 VAL D CB 1 ATOM 5643 C CG1 . VAL D 1 127 ? 29.097 5.556 44.866 1.00 74.48 ? 1006 VAL D CG1 1 ATOM 5644 C CG2 . VAL D 1 127 ? 30.982 7.134 45.266 1.00 75.81 ? 1006 VAL D CG2 1 ATOM 5645 N N . ASN D 1 128 ? 29.320 3.140 47.184 1.00 71.76 ? 1007 ASN D N 1 ATOM 5646 C CA . ASN D 1 128 ? 28.992 1.722 47.278 1.00 72.49 ? 1007 ASN D CA 1 ATOM 5647 C C . ASN D 1 128 ? 27.648 1.482 46.644 1.00 74.69 ? 1007 ASN D C 1 ATOM 5648 O O . ASN D 1 128 ? 26.714 2.243 46.882 1.00 74.79 ? 1007 ASN D O 1 ATOM 5649 C CB . ASN D 1 128 ? 28.990 1.255 48.738 1.00 74.25 ? 1007 ASN D CB 1 ATOM 5650 C CG . ASN D 1 128 ? 30.352 1.236 49.347 1.00 86.70 ? 1007 ASN D CG 1 ATOM 5651 O OD1 . ASN D 1 128 ? 31.194 0.436 48.950 1.00 83.69 ? 1007 ASN D OD1 1 ATOM 5652 N ND2 . ASN D 1 128 ? 30.604 2.133 50.309 1.00 82.64 ? 1007 ASN D ND2 1 ATOM 5653 N N . TRP D 1 129 ? 27.538 0.424 45.854 1.00 70.51 ? 1008 TRP D N 1 ATOM 5654 C CA . TRP D 1 129 ? 26.315 0.088 45.129 1.00 69.29 ? 1008 TRP D CA 1 ATOM 5655 C C . TRP D 1 129 ? 26.217 -1.420 44.853 1.00 74.42 ? 1008 TRP D C 1 ATOM 5656 O O . TRP D 1 129 ? 27.132 -2.179 45.168 1.00 75.83 ? 1008 TRP D O 1 ATOM 5657 C CB . TRP D 1 129 ? 26.266 0.896 43.800 1.00 65.55 ? 1008 TRP D CB 1 ATOM 5658 C CG . TRP D 1 129 ? 27.374 0.560 42.829 1.00 66.41 ? 1008 TRP D CG 1 ATOM 5659 C CD1 . TRP D 1 129 ? 27.337 -0.383 41.847 1.00 69.48 ? 1008 TRP D CD1 1 ATOM 5660 C CD2 . TRP D 1 129 ? 28.702 1.122 42.798 1.00 67.01 ? 1008 TRP D CD2 1 ATOM 5661 N NE1 . TRP D 1 129 ? 28.547 -0.433 41.190 1.00 69.60 ? 1008 TRP D NE1 1 ATOM 5662 C CE2 . TRP D 1 129 ? 29.403 0.483 41.752 1.00 71.29 ? 1008 TRP D CE2 1 ATOM 5663 C CE3 . TRP D 1 129 ? 29.383 2.090 43.578 1.00 68.89 ? 1008 TRP D CE3 1 ATOM 5664 C CZ2 . TRP D 1 129 ? 30.747 0.797 41.442 1.00 71.33 ? 1008 TRP D CZ2 1 ATOM 5665 C CZ3 . TRP D 1 129 ? 30.685 2.433 43.239 1.00 70.38 ? 1008 TRP D CZ3 1 ATOM 5666 C CH2 . TRP D 1 129 ? 31.353 1.789 42.183 1.00 71.42 ? 1008 TRP D CH2 1 ATOM 5667 N N . GLN D 1 130 ? 25.118 -1.829 44.236 1.00 71.05 ? 1009 GLN D N 1 ATOM 5668 C CA . GLN D 1 130 ? 24.823 -3.200 43.852 1.00 73.11 ? 1009 GLN D CA 1 ATOM 5669 C C . GLN D 1 130 ? 24.553 -3.288 42.353 1.00 74.58 ? 1009 GLN D C 1 ATOM 5670 O O . GLN D 1 130 ? 24.114 -2.296 41.765 1.00 71.53 ? 1009 GLN D O 1 ATOM 5671 C CB . GLN D 1 130 ? 23.593 -3.709 44.631 1.00 76.71 ? 1009 GLN D CB 1 ATOM 5672 C CG . GLN D 1 130 ? 23.943 -4.166 46.051 1.00 92.19 ? 1009 GLN D CG 1 ATOM 5673 C CD . GLN D 1 130 ? 24.871 -5.364 46.077 1.00 98.48 ? 1009 GLN D CD 1 ATOM 5674 O OE1 . GLN D 1 130 ? 24.612 -6.419 45.454 1.00 94.41 ? 1009 GLN D OE1 1 ATOM 5675 N NE2 . GLN D 1 130 ? 25.975 -5.219 46.797 1.00 74.24 ? 1009 GLN D NE2 1 ATOM 5676 N N . PRO D 1 131 ? 24.776 -4.446 41.692 1.00 72.78 ? 1010 PRO D N 1 ATOM 5677 C CA . PRO D 1 131 ? 24.486 -4.523 40.253 1.00 70.52 ? 1010 PRO D CA 1 ATOM 5678 C C . PRO D 1 131 ? 23.005 -4.272 39.943 1.00 74.62 ? 1010 PRO D C 1 ATOM 5679 O O . PRO D 1 131 ? 22.139 -4.549 40.787 1.00 76.48 ? 1010 PRO D O 1 ATOM 5680 C CB . PRO D 1 131 ? 24.906 -5.953 39.880 1.00 73.68 ? 1010 PRO D CB 1 ATOM 5681 C CG . PRO D 1 131 ? 25.784 -6.390 40.943 1.00 81.42 ? 1010 PRO D CG 1 ATOM 5682 C CD . PRO D 1 131 ? 25.285 -5.736 42.188 1.00 77.78 ? 1010 PRO D CD 1 ATOM 5683 N N . PRO D 1 132 ? 22.675 -3.763 38.738 1.00 69.44 ? 1011 PRO D N 1 ATOM 5684 C CA . PRO D 1 132 ? 21.254 -3.533 38.416 1.00 68.48 ? 1011 PRO D CA 1 ATOM 5685 C C . PRO D 1 132 ? 20.409 -4.800 38.441 1.00 73.34 ? 1011 PRO D C 1 ATOM 5686 O O . PRO D 1 132 ? 20.929 -5.902 38.245 1.00 73.77 ? 1011 PRO D O 1 ATOM 5687 C CB . PRO D 1 132 ? 21.299 -2.941 37.000 1.00 68.34 ? 1011 PRO D CB 1 ATOM 5688 C CG . PRO D 1 132 ? 22.604 -3.370 36.441 1.00 72.57 ? 1011 PRO D CG 1 ATOM 5689 C CD . PRO D 1 132 ? 23.552 -3.370 37.609 1.00 69.18 ? 1011 PRO D CD 1 ATOM 5690 N N . SER D 1 133 ? 19.099 -4.629 38.670 1.00 71.15 ? 1012 SER D N 1 ATOM 5691 C CA . SER D 1 133 ? 18.139 -5.725 38.622 1.00 74.07 ? 1012 SER D CA 1 ATOM 5692 C C . SER D 1 133 ? 18.011 -6.271 37.190 1.00 75.88 ? 1012 SER D C 1 ATOM 5693 O O . SER D 1 133 ? 17.987 -7.488 36.989 1.00 76.76 ? 1012 SER D O 1 ATOM 5694 C CB . SER D 1 133 ? 16.779 -5.257 39.129 1.00 81.96 ? 1012 SER D CB 1 ATOM 5695 O OG . SER D 1 133 ? 16.805 -5.104 40.538 1.00 105.76 ? 1012 SER D OG 1 ATOM 5696 N N . GLU D 1 134 ? 17.952 -5.352 36.205 1.00 69.06 ? 1013 GLU D N 1 ATOM 5697 C CA . GLU D 1 134 ? 17.832 -5.680 34.804 1.00 68.43 ? 1013 GLU D CA 1 ATOM 5698 C C . GLU D 1 134 ? 19.142 -5.368 34.080 1.00 68.67 ? 1013 GLU D C 1 ATOM 5699 O O . GLU D 1 134 ? 19.222 -4.443 33.266 1.00 66.00 ? 1013 GLU D O 1 ATOM 5700 C CB . GLU D 1 134 ? 16.614 -4.975 34.176 1.00 70.88 ? 1013 GLU D CB 1 ATOM 5701 C CG . GLU D 1 134 ? 15.281 -5.354 34.802 1.00 88.69 ? 1013 GLU D CG 1 ATOM 5702 C CD . GLU D 1 134 ? 14.077 -4.484 34.489 1.00 125.59 ? 1013 GLU D CD 1 ATOM 5703 O OE1 . GLU D 1 134 ? 14.206 -3.527 33.691 1.00 126.31 ? 1013 GLU D OE1 1 ATOM 5704 O OE2 . GLU D 1 134 ? 13.004 -4.744 35.082 1.00 134.70 ? 1013 GLU D OE2 1 ATOM 5705 N N . ALA D 1 135 ? 20.184 -6.150 34.412 1.00 65.35 ? 1014 ALA D N 1 ATOM 5706 C CA . ALA D 1 135 ? 21.519 -6.037 33.828 1.00 63.93 ? 1014 ALA D CA 1 ATOM 5707 C C . ALA D 1 135 ? 21.498 -6.457 32.351 1.00 64.88 ? 1014 ALA D C 1 ATOM 5708 O O . ALA D 1 135 ? 22.284 -5.940 31.551 1.00 62.56 ? 1014 ALA D O 1 ATOM 5709 C CB . ALA D 1 135 ? 22.502 -6.895 34.606 1.00 66.69 ? 1014 ALA D CB 1 ATOM 5710 N N . ASN D 1 136 ? 20.600 -7.416 32.005 1.00 60.44 ? 1015 ASN D N 1 ATOM 5711 C CA . ASN D 1 136 ? 20.336 -7.958 30.667 1.00 58.08 ? 1015 ASN D CA 1 ATOM 5712 C C . ASN D 1 136 ? 21.571 -8.528 29.962 1.00 59.80 ? 1015 ASN D C 1 ATOM 5713 O O . ASN D 1 136 ? 21.565 -8.703 28.748 1.00 57.53 ? 1015 ASN D O 1 ATOM 5714 C CB . ASN D 1 136 ? 19.620 -6.915 29.823 1.00 54.31 ? 1015 ASN D CB 1 ATOM 5715 C CG . ASN D 1 136 ? 18.340 -6.370 30.409 1.00 70.93 ? 1015 ASN D CG 1 ATOM 5716 O OD1 . ASN D 1 136 ? 17.941 -5.232 30.115 1.00 52.87 ? 1015 ASN D OD1 1 ATOM 5717 N ND2 . ASN D 1 136 ? 17.627 -7.178 31.197 1.00 69.45 ? 1015 ASN D ND2 1 ATOM 5718 N N . GLY D 1 137 ? 22.614 -8.803 30.745 1.00 57.32 ? 1016 GLY D N 1 ATOM 5719 C CA . GLY D 1 137 ? 23.894 -9.335 30.301 1.00 58.75 ? 1016 GLY D CA 1 ATOM 5720 C C . GLY D 1 137 ? 24.957 -9.197 31.365 1.00 65.18 ? 1016 GLY D C 1 ATOM 5721 O O . GLY D 1 137 ? 24.666 -8.749 32.475 1.00 64.29 ? 1016 GLY D O 1 ATOM 5722 N N . LYS D 1 138 ? 26.198 -9.580 31.042 1.00 66.12 ? 1017 LYS D N 1 ATOM 5723 C CA . LYS D 1 138 ? 27.315 -9.489 31.994 1.00 68.19 ? 1017 LYS D CA 1 ATOM 5724 C C . LYS D 1 138 ? 27.808 -8.061 32.112 1.00 72.61 ? 1017 LYS D C 1 ATOM 5725 O O . LYS D 1 138 ? 28.129 -7.449 31.091 1.00 73.96 ? 1017 LYS D O 1 ATOM 5726 C CB . LYS D 1 138 ? 28.433 -10.488 31.644 1.00 72.53 ? 1017 LYS D CB 1 ATOM 5727 C CG . LYS D 1 138 ? 28.108 -11.919 32.133 1.00 83.67 ? 1017 LYS D CG 1 ATOM 5728 C CD . LYS D 1 138 ? 29.115 -13.006 31.708 1.00 91.93 ? 1017 LYS D CD 1 ATOM 5729 C CE . LYS D 1 138 ? 28.583 -14.029 30.719 1.00 95.22 ? 1017 LYS D CE 1 ATOM 5730 N NZ . LYS D 1 138 ? 28.343 -13.438 29.375 1.00 100.79 ? 1017 LYS D NZ 1 ATOM 5731 N N . ILE D 1 139 ? 27.827 -7.515 33.348 1.00 67.46 ? 1018 ILE D N 1 ATOM 5732 C CA . ILE D 1 139 ? 28.274 -6.146 33.600 1.00 65.41 ? 1018 ILE D CA 1 ATOM 5733 C C . ILE D 1 139 ? 29.765 -5.992 33.356 1.00 73.47 ? 1018 ILE D C 1 ATOM 5734 O O . ILE D 1 139 ? 30.566 -6.713 33.960 1.00 77.75 ? 1018 ILE D O 1 ATOM 5735 C CB . ILE D 1 139 ? 27.803 -5.591 34.979 1.00 67.07 ? 1018 ILE D CB 1 ATOM 5736 C CG1 . ILE D 1 139 ? 26.252 -5.604 35.101 1.00 65.42 ? 1018 ILE D CG1 1 ATOM 5737 C CG2 . ILE D 1 139 ? 28.372 -4.182 35.253 1.00 66.92 ? 1018 ILE D CG2 1 ATOM 5738 C CD1 . ILE D 1 139 ? 25.384 -4.859 33.909 1.00 71.18 ? 1018 ILE D CD1 1 ATOM 5739 N N . THR D 1 140 ? 30.131 -5.069 32.451 1.00 68.16 ? 1019 THR D N 1 ATOM 5740 C CA . THR D 1 140 ? 31.531 -4.795 32.076 1.00 69.29 ? 1019 THR D CA 1 ATOM 5741 C C . THR D 1 140 ? 32.155 -3.555 32.768 1.00 71.79 ? 1019 THR D C 1 ATOM 5742 O O . THR D 1 140 ? 33.335 -3.242 32.569 1.00 73.89 ? 1019 THR D O 1 ATOM 5743 C CB . THR D 1 140 ? 31.639 -4.711 30.561 1.00 76.25 ? 1019 THR D CB 1 ATOM 5744 O OG1 . THR D 1 140 ? 30.820 -3.642 30.094 1.00 82.55 ? 1019 THR D OG1 1 ATOM 5745 C CG2 . THR D 1 140 ? 31.226 -5.992 29.893 1.00 75.65 ? 1019 THR D CG2 1 ATOM 5746 N N . GLY D 1 141 ? 31.354 -2.829 33.532 1.00 64.98 ? 1020 GLY D N 1 ATOM 5747 C CA . GLY D 1 141 ? 31.846 -1.632 34.197 1.00 64.06 ? 1020 GLY D CA 1 ATOM 5748 C C . GLY D 1 141 ? 30.734 -0.724 34.633 1.00 64.44 ? 1020 GLY D C 1 ATOM 5749 O O . GLY D 1 141 ? 29.574 -1.054 34.444 1.00 60.95 ? 1020 GLY D O 1 ATOM 5750 N N . TYR D 1 142 ? 31.096 0.407 35.242 1.00 64.18 ? 1021 TYR D N 1 ATOM 5751 C CA . TYR D 1 142 ? 30.189 1.434 35.734 1.00 62.13 ? 1021 TYR D CA 1 ATOM 5752 C C . TYR D 1 142 ? 30.773 2.800 35.468 1.00 69.00 ? 1021 TYR D C 1 ATOM 5753 O O . TYR D 1 142 ? 31.972 2.936 35.195 1.00 72.95 ? 1021 TYR D O 1 ATOM 5754 C CB . TYR D 1 142 ? 29.959 1.290 37.262 1.00 62.66 ? 1021 TYR D CB 1 ATOM 5755 C CG . TYR D 1 142 ? 29.259 0.005 37.659 1.00 64.53 ? 1021 TYR D CG 1 ATOM 5756 C CD1 . TYR D 1 142 ? 27.866 -0.098 37.631 1.00 63.30 ? 1021 TYR D CD1 1 ATOM 5757 C CD2 . TYR D 1 142 ? 29.986 -1.115 38.041 1.00 68.30 ? 1021 TYR D CD2 1 ATOM 5758 C CE1 . TYR D 1 142 ? 27.219 -1.285 37.973 1.00 62.16 ? 1021 TYR D CE1 1 ATOM 5759 C CE2 . TYR D 1 142 ? 29.348 -2.300 38.410 1.00 70.20 ? 1021 TYR D CE2 1 ATOM 5760 C CZ . TYR D 1 142 ? 27.963 -2.380 38.371 1.00 72.43 ? 1021 TYR D CZ 1 ATOM 5761 O OH . TYR D 1 142 ? 27.342 -3.550 38.719 1.00 74.30 ? 1021 TYR D OH 1 ATOM 5762 N N . ILE D 1 143 ? 29.934 3.822 35.555 1.00 63.54 ? 1022 ILE D N 1 ATOM 5763 C CA . ILE D 1 143 ? 30.377 5.209 35.453 1.00 63.65 ? 1022 ILE D CA 1 ATOM 5764 C C . ILE D 1 143 ? 29.661 6.003 36.535 1.00 67.72 ? 1022 ILE D C 1 ATOM 5765 O O . ILE D 1 143 ? 28.412 6.073 36.559 1.00 65.75 ? 1022 ILE D O 1 ATOM 5766 C CB . ILE D 1 143 ? 30.257 5.887 34.048 1.00 66.56 ? 1022 ILE D CB 1 ATOM 5767 C CG1 . ILE D 1 143 ? 31.045 5.114 32.959 1.00 67.55 ? 1022 ILE D CG1 1 ATOM 5768 C CG2 . ILE D 1 143 ? 30.706 7.375 34.121 1.00 66.84 ? 1022 ILE D CG2 1 ATOM 5769 C CD1 . ILE D 1 143 ? 30.899 5.635 31.564 1.00 78.36 ? 1022 ILE D CD1 1 ATOM 5770 N N . ILE D 1 144 ? 30.467 6.604 37.428 1.00 63.60 ? 1023 ILE D N 1 ATOM 5771 C CA . ILE D 1 144 ? 29.995 7.493 38.484 1.00 62.68 ? 1023 ILE D CA 1 ATOM 5772 C C . ILE D 1 144 ? 30.057 8.944 37.963 1.00 69.91 ? 1023 ILE D C 1 ATOM 5773 O O . ILE D 1 144 ? 30.995 9.328 37.243 1.00 71.98 ? 1023 ILE D O 1 ATOM 5774 C CB . ILE D 1 144 ? 30.828 7.314 39.784 1.00 66.34 ? 1023 ILE D CB 1 ATOM 5775 C CG1 . ILE D 1 144 ? 30.753 5.865 40.275 1.00 67.04 ? 1023 ILE D CG1 1 ATOM 5776 C CG2 . ILE D 1 144 ? 30.430 8.330 40.877 1.00 63.55 ? 1023 ILE D CG2 1 ATOM 5777 C CD1 . ILE D 1 144 ? 31.516 5.573 41.541 1.00 73.36 ? 1023 ILE D CD1 1 ATOM 5778 N N . TYR D 1 145 ? 29.068 9.733 38.337 1.00 66.67 ? 1024 TYR D N 1 ATOM 5779 C CA . TYR D 1 145 ? 28.996 11.154 38.030 1.00 67.76 ? 1024 TYR D CA 1 ATOM 5780 C C . TYR D 1 145 ? 28.720 11.896 39.334 1.00 70.57 ? 1024 TYR D C 1 ATOM 5781 O O . TYR D 1 145 ? 27.865 11.457 40.114 1.00 69.13 ? 1024 TYR D O 1 ATOM 5782 C CB . TYR D 1 145 ? 27.844 11.446 37.052 1.00 68.90 ? 1024 TYR D CB 1 ATOM 5783 C CG . TYR D 1 145 ? 27.955 10.752 35.718 1.00 72.24 ? 1024 TYR D CG 1 ATOM 5784 C CD1 . TYR D 1 145 ? 27.422 9.479 35.525 1.00 75.11 ? 1024 TYR D CD1 1 ATOM 5785 C CD2 . TYR D 1 145 ? 28.521 11.395 34.618 1.00 74.07 ? 1024 TYR D CD2 1 ATOM 5786 C CE1 . TYR D 1 145 ? 27.492 8.838 34.277 1.00 76.45 ? 1024 TYR D CE1 1 ATOM 5787 C CE2 . TYR D 1 145 ? 28.589 10.770 33.367 1.00 75.45 ? 1024 TYR D CE2 1 ATOM 5788 C CZ . TYR D 1 145 ? 28.054 9.499 33.193 1.00 82.37 ? 1024 TYR D CZ 1 ATOM 5789 O OH . TYR D 1 145 ? 28.096 8.890 31.953 1.00 80.33 ? 1024 TYR D OH 1 ATOM 5790 N N . TYR D 1 146 ? 29.403 13.019 39.567 1.00 66.78 ? 1025 TYR D N 1 ATOM 5791 C CA . TYR D 1 146 ? 29.128 13.847 40.758 1.00 65.96 ? 1025 TYR D CA 1 ATOM 5792 C C . TYR D 1 146 ? 29.133 15.331 40.467 1.00 70.41 ? 1025 TYR D C 1 ATOM 5793 O O . TYR D 1 146 ? 29.806 15.780 39.534 1.00 73.68 ? 1025 TYR D O 1 ATOM 5794 C CB . TYR D 1 146 ? 29.985 13.496 41.968 1.00 67.56 ? 1025 TYR D CB 1 ATOM 5795 C CG . TYR D 1 146 ? 31.464 13.759 41.807 1.00 70.55 ? 1025 TYR D CG 1 ATOM 5796 C CD1 . TYR D 1 146 ? 32.303 12.795 41.262 1.00 73.37 ? 1025 TYR D CD1 1 ATOM 5797 C CD2 . TYR D 1 146 ? 32.034 14.948 42.255 1.00 72.55 ? 1025 TYR D CD2 1 ATOM 5798 C CE1 . TYR D 1 146 ? 33.667 13.018 41.131 1.00 78.15 ? 1025 TYR D CE1 1 ATOM 5799 C CE2 . TYR D 1 146 ? 33.401 15.187 42.123 1.00 76.28 ? 1025 TYR D CE2 1 ATOM 5800 C CZ . TYR D 1 146 ? 34.219 14.202 41.596 1.00 83.43 ? 1025 TYR D CZ 1 ATOM 5801 O OH . TYR D 1 146 ? 35.570 14.405 41.491 1.00 86.19 ? 1025 TYR D OH 1 ATOM 5802 N N . SER D 1 147 ? 28.351 16.085 41.222 1.00 65.68 ? 1026 SER D N 1 ATOM 5803 C CA . SER D 1 147 ? 28.247 17.521 41.040 1.00 68.26 ? 1026 SER D CA 1 ATOM 5804 C C . SER D 1 147 ? 27.847 18.206 42.353 1.00 76.08 ? 1026 SER D C 1 ATOM 5805 O O . SER D 1 147 ? 27.228 17.579 43.227 1.00 75.48 ? 1026 SER D O 1 ATOM 5806 C CB . SER D 1 147 ? 27.208 17.833 39.960 1.00 72.64 ? 1026 SER D CB 1 ATOM 5807 O OG . SER D 1 147 ? 27.268 19.189 39.545 1.00 90.11 ? 1026 SER D OG 1 ATOM 5808 N N . THR D 1 148 ? 28.175 19.508 42.466 1.00 74.09 ? 1027 THR D N 1 ATOM 5809 C CA . THR D 1 148 ? 27.763 20.335 43.588 1.00 73.97 ? 1027 THR D CA 1 ATOM 5810 C C . THR D 1 148 ? 26.338 20.830 43.297 1.00 80.22 ? 1027 THR D C 1 ATOM 5811 O O . THR D 1 148 ? 25.626 21.210 44.213 1.00 82.71 ? 1027 THR D O 1 ATOM 5812 C CB . THR D 1 148 ? 28.739 21.467 43.817 1.00 76.06 ? 1027 THR D CB 1 ATOM 5813 O OG1 . THR D 1 148 ? 28.845 22.243 42.622 1.00 80.14 ? 1027 THR D OG1 1 ATOM 5814 C CG2 . THR D 1 148 ? 30.094 20.984 44.268 1.00 70.09 ? 1027 THR D CG2 1 ATOM 5815 N N . ASP D 1 149 ? 25.925 20.805 42.027 1.00 77.99 ? 1028 ASP D N 1 ATOM 5816 C CA . ASP D 1 149 ? 24.595 21.204 41.571 1.00 79.82 ? 1028 ASP D CA 1 ATOM 5817 C C . ASP D 1 149 ? 23.887 20.010 40.957 1.00 83.23 ? 1028 ASP D C 1 ATOM 5818 O O . ASP D 1 149 ? 24.306 19.483 39.929 1.00 82.30 ? 1028 ASP D O 1 ATOM 5819 C CB . ASP D 1 149 ? 24.675 22.373 40.563 1.00 84.65 ? 1028 ASP D CB 1 ATOM 5820 C CG . ASP D 1 149 ? 23.356 22.792 39.928 1.00 98.52 ? 1028 ASP D CG 1 ATOM 5821 O OD1 . ASP D 1 149 ? 22.322 22.786 40.640 1.00 101.77 ? 1028 ASP D OD1 1 ATOM 5822 O OD2 . ASP D 1 149 ? 23.365 23.169 38.729 1.00 103.08 ? 1028 ASP D OD2 1 ATOM 5823 N N . VAL D 1 150 ? 22.808 19.591 41.603 1.00 82.39 ? 1029 VAL D N 1 ATOM 5824 C CA . VAL D 1 150 ? 21.961 18.463 41.215 1.00 82.39 ? 1029 VAL D CA 1 ATOM 5825 C C . VAL D 1 150 ? 21.272 18.692 39.881 1.00 90.99 ? 1029 VAL D C 1 ATOM 5826 O O . VAL D 1 150 ? 21.022 17.737 39.150 1.00 91.62 ? 1029 VAL D O 1 ATOM 5827 C CB . VAL D 1 150 ? 20.959 18.117 42.362 1.00 87.19 ? 1029 VAL D CB 1 ATOM 5828 C CG1 . VAL D 1 150 ? 20.023 19.283 42.711 1.00 89.76 ? 1029 VAL D CG1 1 ATOM 5829 C CG2 . VAL D 1 150 ? 20.187 16.831 42.086 1.00 86.02 ? 1029 VAL D CG2 1 ATOM 5830 N N . ASN D 1 151 ? 20.976 19.955 39.562 1.00 91.07 ? 1030 ASN D N 1 ATOM 5831 C CA . ASN D 1 151 ? 20.261 20.332 38.347 1.00 93.09 ? 1030 ASN D CA 1 ATOM 5832 C C . ASN D 1 151 ? 21.157 20.578 37.135 1.00 98.63 ? 1030 ASN D C 1 ATOM 5833 O O . ASN D 1 151 ? 20.630 20.839 36.051 1.00 101.74 ? 1030 ASN D O 1 ATOM 5834 C CB . ASN D 1 151 ? 19.336 21.521 38.642 1.00 95.01 ? 1030 ASN D CB 1 ATOM 5835 C CG . ASN D 1 151 ? 18.441 21.288 39.847 1.00 105.66 ? 1030 ASN D CG 1 ATOM 5836 O OD1 . ASN D 1 151 ? 17.685 20.298 39.911 1.00 91.64 ? 1030 ASN D OD1 1 ATOM 5837 N ND2 . ASN D 1 151 ? 18.547 22.167 40.850 1.00 91.84 ? 1030 ASN D ND2 1 ATOM 5838 N N . ALA D 1 152 ? 22.497 20.454 37.292 1.00 92.97 ? 1031 ALA D N 1 ATOM 5839 C CA . ALA D 1 152 ? 23.452 20.664 36.194 1.00 93.12 ? 1031 ALA D CA 1 ATOM 5840 C C . ALA D 1 152 ? 23.305 19.617 35.065 1.00 93.96 ? 1031 ALA D C 1 ATOM 5841 O O . ALA D 1 152 ? 22.957 18.464 35.326 1.00 91.15 ? 1031 ALA D O 1 ATOM 5842 C CB . ALA D 1 152 ? 24.875 20.671 36.735 1.00 92.61 ? 1031 ALA D CB 1 ATOM 5843 N N . GLU D 1 153 ? 23.547 20.026 33.814 1.00 91.50 ? 1032 GLU D N 1 ATOM 5844 C CA . GLU D 1 153 ? 23.504 19.105 32.678 1.00 90.80 ? 1032 GLU D CA 1 ATOM 5845 C C . GLU D 1 153 ? 24.629 18.081 32.818 1.00 93.29 ? 1032 GLU D C 1 ATOM 5846 O O . GLU D 1 153 ? 25.677 18.386 33.397 1.00 93.89 ? 1032 GLU D O 1 ATOM 5847 C CB . GLU D 1 153 ? 23.607 19.856 31.345 1.00 95.65 ? 1032 GLU D CB 1 ATOM 5848 C CG . GLU D 1 153 ? 22.261 20.196 30.733 1.00 110.42 ? 1032 GLU D CG 1 ATOM 5849 C CD . GLU D 1 153 ? 22.326 21.080 29.499 1.00 149.15 ? 1032 GLU D CD 1 ATOM 5850 O OE1 . GLU D 1 153 ? 23.039 22.109 29.547 1.00 157.96 ? 1032 GLU D OE1 1 ATOM 5851 O OE2 . GLU D 1 153 ? 21.658 20.750 28.490 1.00 143.28 ? 1032 GLU D OE2 1 ATOM 5852 N N . ILE D 1 154 ? 24.397 16.864 32.335 1.00 88.11 ? 1033 ILE D N 1 ATOM 5853 C CA . ILE D 1 154 ? 25.338 15.764 32.479 1.00 85.84 ? 1033 ILE D CA 1 ATOM 5854 C C . ILE D 1 154 ? 26.801 16.017 32.087 1.00 96.97 ? 1033 ILE D C 1 ATOM 5855 O O . ILE D 1 154 ? 27.702 15.477 32.738 1.00 96.75 ? 1033 ILE D O 1 ATOM 5856 C CB . ILE D 1 154 ? 24.761 14.440 31.963 1.00 85.62 ? 1033 ILE D CB 1 ATOM 5857 C CG1 . ILE D 1 154 ? 25.411 13.222 32.660 1.00 82.15 ? 1033 ILE D CG1 1 ATOM 5858 C CG2 . ILE D 1 154 ? 24.761 14.355 30.427 1.00 86.03 ? 1033 ILE D CG2 1 ATOM 5859 C CD1 . ILE D 1 154 ? 25.178 13.156 34.131 1.00 79.26 ? 1033 ILE D CD1 1 ATOM 5860 N N . HIS D 1 155 ? 27.038 16.848 31.055 1.00 98.37 ? 1034 HIS D N 1 ATOM 5861 C CA . HIS D 1 155 ? 28.386 17.204 30.616 1.00 101.37 ? 1034 HIS D CA 1 ATOM 5862 C C . HIS D 1 155 ? 29.127 18.002 31.681 1.00 105.21 ? 1034 HIS D C 1 ATOM 5863 O O . HIS D 1 155 ? 30.354 17.893 31.779 1.00 107.57 ? 1034 HIS D O 1 ATOM 5864 C CB . HIS D 1 155 ? 28.406 17.926 29.259 1.00 107.12 ? 1034 HIS D CB 1 ATOM 5865 C CG . HIS D 1 155 ? 27.281 18.889 29.008 1.00 113.74 ? 1034 HIS D CG 1 ATOM 5866 N ND1 . HIS D 1 155 ? 26.207 18.553 28.176 1.00 116.51 ? 1034 HIS D ND1 1 ATOM 5867 C CD2 . HIS D 1 155 ? 27.115 20.161 29.443 1.00 118.50 ? 1034 HIS D CD2 1 ATOM 5868 C CE1 . HIS D 1 155 ? 25.433 19.628 28.142 1.00 119.03 ? 1034 HIS D CE1 1 ATOM 5869 N NE2 . HIS D 1 155 ? 25.945 20.629 28.875 1.00 120.56 ? 1034 HIS D NE2 1 ATOM 5870 N N . ASP D 1 156 ? 28.370 18.771 32.507 1.00 98.03 ? 1035 ASP D N 1 ATOM 5871 C CA . ASP D 1 156 ? 28.904 19.597 33.594 1.00 95.76 ? 1035 ASP D CA 1 ATOM 5872 C C . ASP D 1 156 ? 29.284 18.789 34.835 1.00 89.25 ? 1035 ASP D C 1 ATOM 5873 O O . ASP D 1 156 ? 30.052 19.281 35.663 1.00 90.00 ? 1035 ASP D O 1 ATOM 5874 C CB . ASP D 1 156 ? 27.946 20.753 33.925 1.00 99.55 ? 1035 ASP D CB 1 ATOM 5875 C CG . ASP D 1 156 ? 27.661 21.684 32.762 1.00 121.56 ? 1035 ASP D CG 1 ATOM 5876 O OD1 . ASP D 1 156 ? 28.477 21.718 31.813 1.00 126.87 ? 1035 ASP D OD1 1 ATOM 5877 O OD2 . ASP D 1 156 ? 26.622 22.384 32.801 1.00 130.96 ? 1035 ASP D OD2 1 ATOM 5878 N N . TRP D 1 157 ? 28.768 17.551 34.955 1.00 77.93 ? 1036 TRP D N 1 ATOM 5879 C CA . TRP D 1 157 ? 29.057 16.645 36.071 1.00 73.78 ? 1036 TRP D CA 1 ATOM 5880 C C . TRP D 1 157 ? 30.461 16.113 35.898 1.00 78.06 ? 1036 TRP D C 1 ATOM 5881 O O . TRP D 1 157 ? 30.982 16.087 34.773 1.00 79.63 ? 1036 TRP D O 1 ATOM 5882 C CB . TRP D 1 157 ? 28.048 15.472 36.106 1.00 69.25 ? 1036 TRP D CB 1 ATOM 5883 C CG . TRP D 1 157 ? 26.687 15.854 36.629 1.00 68.81 ? 1036 TRP D CG 1 ATOM 5884 C CD1 . TRP D 1 157 ? 25.847 16.802 36.118 1.00 73.00 ? 1036 TRP D CD1 1 ATOM 5885 C CD2 . TRP D 1 157 ? 25.998 15.269 37.742 1.00 66.80 ? 1036 TRP D CD2 1 ATOM 5886 N NE1 . TRP D 1 157 ? 24.709 16.887 36.882 1.00 71.62 ? 1036 TRP D NE1 1 ATOM 5887 C CE2 . TRP D 1 157 ? 24.772 15.954 37.885 1.00 71.34 ? 1036 TRP D CE2 1 ATOM 5888 C CE3 . TRP D 1 157 ? 26.309 14.251 38.655 1.00 66.26 ? 1036 TRP D CE3 1 ATOM 5889 C CZ2 . TRP D 1 157 ? 23.862 15.658 38.913 1.00 70.27 ? 1036 TRP D CZ2 1 ATOM 5890 C CZ3 . TRP D 1 157 ? 25.413 13.965 39.672 1.00 67.16 ? 1036 TRP D CZ3 1 ATOM 5891 C CH2 . TRP D 1 157 ? 24.207 14.663 39.797 1.00 68.69 ? 1036 TRP D CH2 1 ATOM 5892 N N . VAL D 1 158 ? 31.089 15.713 37.006 1.00 72.10 ? 1037 VAL D N 1 ATOM 5893 C CA . VAL D 1 158 ? 32.436 15.157 36.977 1.00 72.38 ? 1037 VAL D CA 1 ATOM 5894 C C . VAL D 1 158 ? 32.295 13.658 36.731 1.00 76.28 ? 1037 VAL D C 1 ATOM 5895 O O . VAL D 1 158 ? 31.504 13.016 37.424 1.00 71.85 ? 1037 VAL D O 1 ATOM 5896 C CB . VAL D 1 158 ? 33.209 15.495 38.287 1.00 76.14 ? 1037 VAL D CB 1 ATOM 5897 C CG1 . VAL D 1 158 ? 34.648 15.015 38.217 1.00 78.27 ? 1037 VAL D CG1 1 ATOM 5898 C CG2 . VAL D 1 158 ? 33.178 16.990 38.563 1.00 76.93 ? 1037 VAL D CG2 1 ATOM 5899 N N . ILE D 1 159 ? 33.022 13.115 35.721 1.00 79.26 ? 1038 ILE D N 1 ATOM 5900 C CA . ILE D 1 159 ? 32.992 11.686 35.336 1.00 80.71 ? 1038 ILE D CA 1 ATOM 5901 C C . ILE D 1 159 ? 34.055 10.880 36.081 1.00 87.40 ? 1038 ILE D C 1 ATOM 5902 O O . ILE D 1 159 ? 35.220 11.279 36.104 1.00 91.67 ? 1038 ILE D O 1 ATOM 5903 C CB . ILE D 1 159 ? 33.060 11.492 33.782 1.00 86.80 ? 1038 ILE D CB 1 ATOM 5904 C CG1 . ILE D 1 159 ? 31.739 11.931 33.103 1.00 88.29 ? 1038 ILE D CG1 1 ATOM 5905 C CG2 . ILE D 1 159 ? 33.344 10.019 33.361 1.00 87.86 ? 1038 ILE D CG2 1 ATOM 5906 C CD1 . ILE D 1 159 ? 31.519 13.507 32.754 1.00 104.68 ? 1038 ILE D CD1 1 ATOM 5907 N N . GLU D 1 160 ? 33.647 9.755 36.704 1.00 81.02 ? 1039 GLU D N 1 ATOM 5908 C CA . GLU D 1 160 ? 34.542 8.853 37.436 1.00 80.96 ? 1039 GLU D CA 1 ATOM 5909 C C . GLU D 1 160 ? 34.259 7.411 37.008 1.00 82.61 ? 1039 GLU D C 1 ATOM 5910 O O . GLU D 1 160 ? 33.331 6.788 37.522 1.00 80.48 ? 1039 GLU D O 1 ATOM 5911 C CB . GLU D 1 160 ? 34.407 9.040 38.961 1.00 81.53 ? 1039 GLU D CB 1 ATOM 5912 C CG . GLU D 1 160 ? 35.210 10.204 39.514 1.00 90.87 ? 1039 GLU D CG 1 ATOM 5913 C CD . GLU D 1 160 ? 36.675 9.966 39.848 1.00 119.49 ? 1039 GLU D CD 1 ATOM 5914 O OE1 . GLU D 1 160 ? 37.160 8.818 39.706 1.00 107.17 ? 1039 GLU D OE1 1 ATOM 5915 O OE2 . GLU D 1 160 ? 37.335 10.939 40.281 1.00 124.89 ? 1039 GLU D OE2 1 ATOM 5916 N N . PRO D 1 161 ? 35.011 6.874 36.027 1.00 79.81 ? 1040 PRO D N 1 ATOM 5917 C CA . PRO D 1 161 ? 34.743 5.501 35.556 1.00 78.40 ? 1040 PRO D CA 1 ATOM 5918 C C . PRO D 1 161 ? 35.257 4.403 36.480 1.00 87.53 ? 1040 PRO D C 1 ATOM 5919 O O . PRO D 1 161 ? 36.294 4.546 37.111 1.00 90.13 ? 1040 PRO D O 1 ATOM 5920 C CB . PRO D 1 161 ? 35.441 5.448 34.194 1.00 81.01 ? 1040 PRO D CB 1 ATOM 5921 C CG . PRO D 1 161 ? 35.929 6.842 33.923 1.00 86.74 ? 1040 PRO D CG 1 ATOM 5922 C CD . PRO D 1 161 ? 36.105 7.481 35.254 1.00 83.71 ? 1040 PRO D CD 1 ATOM 5923 N N . VAL D 1 162 ? 34.500 3.318 36.565 1.00 86.59 ? 1041 VAL D N 1 ATOM 5924 C CA . VAL D 1 162 ? 34.781 2.123 37.356 1.00 89.50 ? 1041 VAL D CA 1 ATOM 5925 C C . VAL D 1 162 ? 34.871 0.945 36.323 1.00 102.26 ? 1041 VAL D C 1 ATOM 5926 O O . VAL D 1 162 ? 33.891 0.589 35.619 1.00 97.23 ? 1041 VAL D O 1 ATOM 5927 C CB . VAL D 1 162 ? 33.678 1.856 38.428 1.00 89.38 ? 1041 VAL D CB 1 ATOM 5928 C CG1 . VAL D 1 162 ? 34.045 0.687 39.326 1.00 91.16 ? 1041 VAL D CG1 1 ATOM 5929 C CG2 . VAL D 1 162 ? 33.384 3.091 39.261 1.00 87.62 ? 1041 VAL D CG2 1 ATOM 5930 N N . VAL D 1 163 ? 36.072 0.361 36.234 1.00 108.20 ? 1042 VAL D N 1 ATOM 5931 C CA . VAL D 1 163 ? 36.313 -0.764 35.319 1.00 111.38 ? 1042 VAL D CA 1 ATOM 5932 C C . VAL D 1 163 ? 36.051 -2.115 35.970 1.00 117.89 ? 1042 VAL D C 1 ATOM 5933 O O . VAL D 1 163 ? 36.573 -2.413 37.058 1.00 119.21 ? 1042 VAL D O 1 ATOM 5934 C CB . VAL D 1 163 ? 37.685 -0.708 34.611 1.00 119.73 ? 1042 VAL D CB 1 ATOM 5935 C CG1 . VAL D 1 163 ? 37.621 0.172 33.371 1.00 118.27 ? 1042 VAL D CG1 1 ATOM 5936 C CG2 . VAL D 1 163 ? 38.784 -0.244 35.574 1.00 123.27 ? 1042 VAL D CG2 1 ATOM 5937 N N . GLY D 1 164 ? 35.241 -2.906 35.277 1.00 114.23 ? 1043 GLY D N 1 ATOM 5938 C CA . GLY D 1 164 ? 34.823 -4.229 35.707 1.00 115.20 ? 1043 GLY D CA 1 ATOM 5939 C C . GLY D 1 164 ? 33.661 -4.175 36.665 1.00 115.71 ? 1043 GLY D C 1 ATOM 5940 O O . GLY D 1 164 ? 33.251 -3.077 37.063 1.00 111.31 ? 1043 GLY D O 1 ATOM 5941 N N . ASN D 1 165 ? 33.143 -5.357 37.072 1.00 113.33 ? 1044 ASN D N 1 ATOM 5942 C CA . ASN D 1 165 ? 32.055 -5.375 38.035 1.00 111.03 ? 1044 ASN D CA 1 ATOM 5943 C C . ASN D 1 165 ? 32.574 -5.182 39.493 1.00 112.70 ? 1044 ASN D C 1 ATOM 5944 O O . ASN D 1 165 ? 32.495 -6.097 40.323 1.00 115.56 ? 1044 ASN D O 1 ATOM 5945 C CB . ASN D 1 165 ? 31.130 -6.586 37.843 1.00 115.88 ? 1044 ASN D CB 1 ATOM 5946 C CG . ASN D 1 165 ? 29.866 -6.548 38.707 1.00 144.13 ? 1044 ASN D CG 1 ATOM 5947 O OD1 . ASN D 1 165 ? 28.921 -5.779 38.467 1.00 123.10 ? 1044 ASN D OD1 1 ATOM 5948 N ND2 . ASN D 1 165 ? 29.827 -7.384 39.740 1.00 145.37 ? 1044 ASN D ND2 1 ATOM 5949 N N . ARG D 1 166 ? 33.130 -3.981 39.776 1.00 103.79 ? 1045 ARG D N 1 ATOM 5950 C CA . ARG D 1 166 ? 33.580 -3.554 41.112 1.00 103.62 ? 1045 ARG D CA 1 ATOM 5951 C C . ARG D 1 166 ? 32.361 -2.867 41.710 1.00 97.75 ? 1045 ARG D C 1 ATOM 5952 O O . ARG D 1 166 ? 31.620 -2.211 40.972 1.00 93.75 ? 1045 ARG D O 1 ATOM 5953 C CB . ARG D 1 166 ? 34.745 -2.551 41.038 1.00 106.11 ? 1045 ARG D CB 1 ATOM 5954 C CG . ARG D 1 166 ? 36.023 -3.120 40.471 1.00 123.97 ? 1045 ARG D CG 1 ATOM 5955 C CD . ARG D 1 166 ? 37.086 -2.061 40.326 1.00 133.70 ? 1045 ARG D CD 1 ATOM 5956 N NE . ARG D 1 166 ? 38.297 -2.659 39.769 1.00 145.32 ? 1045 ARG D NE 1 ATOM 5957 C CZ . ARG D 1 166 ? 39.360 -3.000 40.489 1.00 156.61 ? 1045 ARG D CZ 1 ATOM 5958 N NH1 . ARG D 1 166 ? 39.394 -2.756 41.796 1.00 130.34 ? 1045 ARG D NH1 1 ATOM 5959 N NH2 . ARG D 1 166 ? 40.407 -3.575 39.907 1.00 149.13 ? 1045 ARG D NH2 1 ATOM 5960 N N . LEU D 1 167 ? 32.111 -3.046 43.012 1.00 90.69 ? 1046 LEU D N 1 ATOM 5961 C CA . LEU D 1 167 ? 30.923 -2.452 43.632 1.00 85.93 ? 1046 LEU D CA 1 ATOM 5962 C C . LEU D 1 167 ? 31.228 -1.301 44.576 1.00 85.61 ? 1046 LEU D C 1 ATOM 5963 O O . LEU D 1 167 ? 30.350 -0.809 45.286 1.00 82.32 ? 1046 LEU D O 1 ATOM 5964 C CB . LEU D 1 167 ? 30.009 -3.526 44.241 1.00 87.00 ? 1046 LEU D CB 1 ATOM 5965 C CG . LEU D 1 167 ? 29.447 -4.560 43.242 1.00 89.91 ? 1046 LEU D CG 1 ATOM 5966 C CD1 . LEU D 1 167 ? 28.626 -5.588 43.954 1.00 92.56 ? 1046 LEU D CD1 1 ATOM 5967 C CD2 . LEU D 1 167 ? 28.605 -3.901 42.142 1.00 85.32 ? 1046 LEU D CD2 1 ATOM 5968 N N . THR D 1 168 ? 32.482 -0.839 44.519 1.00 82.82 ? 1047 THR D N 1 ATOM 5969 C CA . THR D 1 168 ? 33.003 0.270 45.301 1.00 82.86 ? 1047 THR D CA 1 ATOM 5970 C C . THR D 1 168 ? 33.959 1.154 44.480 1.00 85.08 ? 1047 THR D C 1 ATOM 5971 O O . THR D 1 168 ? 34.583 0.680 43.529 1.00 85.02 ? 1047 THR D O 1 ATOM 5972 C CB . THR D 1 168 ? 33.605 -0.224 46.612 1.00 93.87 ? 1047 THR D CB 1 ATOM 5973 O OG1 . THR D 1 168 ? 33.949 0.923 47.398 1.00 97.89 ? 1047 THR D OG1 1 ATOM 5974 C CG2 . THR D 1 168 ? 34.795 -1.145 46.413 1.00 93.42 ? 1047 THR D CG2 1 ATOM 5975 N N . HIS D 1 169 ? 34.053 2.438 44.845 1.00 80.04 ? 1048 HIS D N 1 ATOM 5976 C CA . HIS D 1 169 ? 34.941 3.394 44.198 1.00 80.40 ? 1048 HIS D CA 1 ATOM 5977 C C . HIS D 1 169 ? 35.165 4.564 45.126 1.00 87.61 ? 1048 HIS D C 1 ATOM 5978 O O . HIS D 1 169 ? 34.202 5.131 45.650 1.00 87.79 ? 1048 HIS D O 1 ATOM 5979 C CB . HIS D 1 169 ? 34.397 3.861 42.829 1.00 77.83 ? 1048 HIS D CB 1 ATOM 5980 C CG . HIS D 1 169 ? 35.330 4.758 42.063 1.00 82.37 ? 1048 HIS D CG 1 ATOM 5981 N ND1 . HIS D 1 169 ? 36.457 4.251 41.410 1.00 87.16 ? 1048 HIS D ND1 1 ATOM 5982 C CD2 . HIS D 1 169 ? 35.275 6.097 41.859 1.00 82.21 ? 1048 HIS D CD2 1 ATOM 5983 C CE1 . HIS D 1 169 ? 37.048 5.298 40.852 1.00 86.43 ? 1048 HIS D CE1 1 ATOM 5984 N NE2 . HIS D 1 169 ? 36.382 6.432 41.099 1.00 84.03 ? 1048 HIS D NE2 1 ATOM 5985 N N . GLN D 1 170 ? 36.432 4.926 45.318 1.00 85.72 ? 1049 GLN D N 1 ATOM 5986 C CA . GLN D 1 170 ? 36.859 6.030 46.153 1.00 86.11 ? 1049 GLN D CA 1 ATOM 5987 C C . GLN D 1 170 ? 37.080 7.288 45.308 1.00 90.28 ? 1049 GLN D C 1 ATOM 5988 O O . GLN D 1 170 ? 37.719 7.221 44.259 1.00 92.37 ? 1049 GLN D O 1 ATOM 5989 C CB . GLN D 1 170 ? 38.168 5.627 46.805 1.00 92.27 ? 1049 GLN D CB 1 ATOM 5990 C CG . GLN D 1 170 ? 38.440 6.303 48.121 1.00 107.23 ? 1049 GLN D CG 1 ATOM 5991 C CD . GLN D 1 170 ? 39.849 6.020 48.529 1.00 128.90 ? 1049 GLN D CD 1 ATOM 5992 O OE1 . GLN D 1 170 ? 40.786 6.724 48.138 1.00 123.07 ? 1049 GLN D OE1 1 ATOM 5993 N NE2 . GLN D 1 170 ? 40.027 4.937 49.266 1.00 128.36 ? 1049 GLN D NE2 1 ATOM 5994 N N . ILE D 1 171 ? 36.554 8.432 45.763 1.00 85.08 ? 1050 ILE D N 1 ATOM 5995 C CA . ILE D 1 171 ? 36.725 9.737 45.093 1.00 83.26 ? 1050 ILE D CA 1 ATOM 5996 C C . ILE D 1 171 ? 37.437 10.697 46.075 1.00 90.97 ? 1050 ILE D C 1 ATOM 5997 O O . ILE D 1 171 ? 36.936 10.944 47.167 1.00 89.70 ? 1050 ILE D O 1 ATOM 5998 C CB . ILE D 1 171 ? 35.402 10.340 44.515 1.00 80.29 ? 1050 ILE D CB 1 ATOM 5999 C CG1 . ILE D 1 171 ? 34.693 9.344 43.567 1.00 77.07 ? 1050 ILE D CG1 1 ATOM 6000 C CG2 . ILE D 1 171 ? 35.685 11.659 43.785 1.00 79.79 ? 1050 ILE D CG2 1 ATOM 6001 C CD1 . ILE D 1 171 ? 33.216 9.619 43.315 1.00 70.19 ? 1050 ILE D CD1 1 ATOM 6002 N N . GLN D 1 172 ? 38.596 11.223 45.673 1.00 91.68 ? 1051 GLN D N 1 ATOM 6003 C CA . GLN D 1 172 ? 39.417 12.120 46.483 1.00 95.16 ? 1051 GLN D CA 1 ATOM 6004 C C . GLN D 1 172 ? 39.317 13.601 46.041 1.00 99.74 ? 1051 GLN D C 1 ATOM 6005 O O . GLN D 1 172 ? 38.739 13.907 44.991 1.00 96.03 ? 1051 GLN D O 1 ATOM 6006 C CB . GLN D 1 172 ? 40.890 11.663 46.416 1.00 101.69 ? 1051 GLN D CB 1 ATOM 6007 C CG . GLN D 1 172 ? 41.142 10.206 46.810 1.00 118.48 ? 1051 GLN D CG 1 ATOM 6008 C CD . GLN D 1 172 ? 42.484 9.742 46.324 1.00 142.98 ? 1051 GLN D CD 1 ATOM 6009 O OE1 . GLN D 1 172 ? 43.445 9.618 47.091 1.00 139.40 ? 1051 GLN D OE1 1 ATOM 6010 N NE2 . GLN D 1 172 ? 42.576 9.467 45.030 1.00 142.08 ? 1051 GLN D NE2 1 ATOM 6011 N N . GLU D 1 173 ? 39.909 14.509 46.866 1.00 100.82 ? 1052 GLU D N 1 ATOM 6012 C CA . GLU D 1 173 ? 40.037 15.962 46.657 1.00 102.38 ? 1052 GLU D CA 1 ATOM 6013 C C . GLU D 1 173 ? 38.717 16.753 46.593 1.00 105.40 ? 1052 GLU D C 1 ATOM 6014 O O . GLU D 1 173 ? 38.623 17.744 45.857 1.00 105.87 ? 1052 GLU D O 1 ATOM 6015 C CB . GLU D 1 173 ? 40.970 16.296 45.451 1.00 106.41 ? 1052 GLU D CB 1 ATOM 6016 C CG . GLU D 1 173 ? 42.409 15.791 45.528 1.00 125.82 ? 1052 GLU D CG 1 ATOM 6017 C CD . GLU D 1 173 ? 43.319 16.269 46.654 1.00 162.88 ? 1052 GLU D CD 1 ATOM 6018 O OE1 . GLU D 1 173 ? 43.483 17.499 46.833 1.00 155.75 ? 1052 GLU D OE1 1 ATOM 6019 O OE2 . GLU D 1 173 ? 43.922 15.396 47.319 1.00 167.58 ? 1052 GLU D OE2 1 ATOM 6020 N N . LEU D 1 174 ? 37.714 16.348 47.391 1.00 99.91 ? 1053 LEU D N 1 ATOM 6021 C CA . LEU D 1 174 ? 36.417 17.038 47.417 1.00 96.84 ? 1053 LEU D CA 1 ATOM 6022 C C . LEU D 1 174 ? 36.423 18.219 48.423 1.00 103.47 ? 1053 LEU D C 1 ATOM 6023 O O . LEU D 1 174 ? 37.082 18.142 49.470 1.00 105.54 ? 1053 LEU D O 1 ATOM 6024 C CB . LEU D 1 174 ? 35.280 16.050 47.705 1.00 94.17 ? 1053 LEU D CB 1 ATOM 6025 C CG . LEU D 1 174 ? 35.066 14.957 46.624 1.00 97.59 ? 1053 LEU D CG 1 ATOM 6026 C CD1 . LEU D 1 174 ? 34.615 13.682 47.223 1.00 97.45 ? 1053 LEU D CD1 1 ATOM 6027 C CD2 . LEU D 1 174 ? 34.046 15.353 45.628 1.00 95.63 ? 1053 LEU D CD2 1 ATOM 6028 N N . THR D 1 175 ? 35.723 19.329 48.077 1.00 97.54 ? 1054 THR D N 1 ATOM 6029 C CA . THR D 1 175 ? 35.603 20.542 48.913 1.00 96.04 ? 1054 THR D CA 1 ATOM 6030 C C . THR D 1 175 ? 34.841 20.190 50.190 1.00 95.11 ? 1054 THR D C 1 ATOM 6031 O O . THR D 1 175 ? 33.843 19.469 50.165 1.00 90.99 ? 1054 THR D O 1 ATOM 6032 C CB . THR D 1 175 ? 34.898 21.688 48.140 1.00 100.13 ? 1054 THR D CB 1 ATOM 6033 O OG1 . THR D 1 175 ? 35.431 21.810 46.824 1.00 106.39 ? 1054 THR D OG1 1 ATOM 6034 C CG2 . THR D 1 175 ? 34.995 23.031 48.839 1.00 95.10 ? 1054 THR D CG2 1 ATOM 6035 N N . LEU D 1 176 ? 35.339 20.685 51.311 1.00 93.60 ? 1055 LEU D N 1 ATOM 6036 C CA . LEU D 1 176 ? 34.757 20.433 52.629 1.00 92.54 ? 1055 LEU D CA 1 ATOM 6037 C C . LEU D 1 176 ? 33.466 21.202 52.854 1.00 93.52 ? 1055 LEU D C 1 ATOM 6038 O O . LEU D 1 176 ? 33.243 22.210 52.182 1.00 93.21 ? 1055 LEU D O 1 ATOM 6039 C CB . LEU D 1 176 ? 35.790 20.704 53.729 1.00 94.77 ? 1055 LEU D CB 1 ATOM 6040 C CG . LEU D 1 176 ? 36.974 19.749 53.723 1.00 100.14 ? 1055 LEU D CG 1 ATOM 6041 C CD1 . LEU D 1 176 ? 37.963 20.106 54.815 1.00 103.38 ? 1055 LEU D CD1 1 ATOM 6042 C CD2 . LEU D 1 176 ? 36.511 18.295 53.856 1.00 100.43 ? 1055 LEU D CD2 1 ATOM 6043 N N . ASP D 1 177 ? 32.590 20.691 53.750 1.00 87.67 ? 1056 ASP D N 1 ATOM 6044 C CA . ASP D 1 177 ? 31.283 21.272 54.101 1.00 86.64 ? 1056 ASP D CA 1 ATOM 6045 C C . ASP D 1 177 ? 30.443 21.611 52.849 1.00 89.60 ? 1056 ASP D C 1 ATOM 6046 O O . ASP D 1 177 ? 29.762 22.639 52.772 1.00 91.19 ? 1056 ASP D O 1 ATOM 6047 C CB . ASP D 1 177 ? 31.465 22.482 55.032 1.00 90.22 ? 1056 ASP D CB 1 ATOM 6048 C CG . ASP D 1 177 ? 30.247 22.833 55.848 1.00 96.66 ? 1056 ASP D CG 1 ATOM 6049 O OD1 . ASP D 1 177 ? 29.266 22.045 55.818 1.00 92.74 ? 1056 ASP D OD1 1 ATOM 6050 O OD2 . ASP D 1 177 ? 30.281 23.888 56.543 1.00 106.41 ? 1056 ASP D OD2 1 ATOM 6051 N N . THR D 1 178 ? 30.526 20.741 51.860 1.00 83.51 ? 1057 THR D N 1 ATOM 6052 C CA . THR D 1 178 ? 29.846 20.927 50.598 1.00 81.68 ? 1057 THR D CA 1 ATOM 6053 C C . THR D 1 178 ? 28.915 19.766 50.345 1.00 85.17 ? 1057 THR D C 1 ATOM 6054 O O . THR D 1 178 ? 29.361 18.608 50.370 1.00 82.34 ? 1057 THR D O 1 ATOM 6055 C CB . THR D 1 178 ? 30.882 21.092 49.440 1.00 83.31 ? 1057 THR D CB 1 ATOM 6056 O OG1 . THR D 1 178 ? 31.815 22.114 49.783 1.00 89.32 ? 1057 THR D OG1 1 ATOM 6057 C CG2 . THR D 1 178 ? 30.239 21.462 48.116 1.00 77.42 ? 1057 THR D CG2 1 ATOM 6058 N N . PRO D 1 179 ? 27.626 20.055 50.046 1.00 84.09 ? 1058 PRO D N 1 ATOM 6059 C CA . PRO D 1 179 ? 26.725 18.980 49.635 1.00 82.44 ? 1058 PRO D CA 1 ATOM 6060 C C . PRO D 1 179 ? 27.070 18.554 48.194 1.00 83.43 ? 1058 PRO D C 1 ATOM 6061 O O . PRO D 1 179 ? 27.167 19.391 47.293 1.00 83.41 ? 1058 PRO D O 1 ATOM 6062 C CB . PRO D 1 179 ? 25.335 19.634 49.695 1.00 85.19 ? 1058 PRO D CB 1 ATOM 6063 C CG . PRO D 1 179 ? 25.535 21.022 50.261 1.00 91.47 ? 1058 PRO D CG 1 ATOM 6064 C CD . PRO D 1 179 ? 26.945 21.366 49.971 1.00 87.27 ? 1058 PRO D CD 1 ATOM 6065 N N . TYR D 1 180 ? 27.331 17.254 48.007 1.00 77.42 ? 1059 TYR D N 1 ATOM 6066 C CA . TYR D 1 180 ? 27.614 16.638 46.719 1.00 74.60 ? 1059 TYR D CA 1 ATOM 6067 C C . TYR D 1 180 ? 26.481 15.712 46.305 1.00 76.84 ? 1059 TYR D C 1 ATOM 6068 O O . TYR D 1 180 ? 25.701 15.270 47.146 1.00 78.20 ? 1059 TYR D O 1 ATOM 6069 C CB . TYR D 1 180 ? 28.940 15.890 46.737 1.00 74.85 ? 1059 TYR D CB 1 ATOM 6070 C CG . TYR D 1 180 ? 30.134 16.799 46.567 1.00 77.24 ? 1059 TYR D CG 1 ATOM 6071 C CD1 . TYR D 1 180 ? 30.558 17.193 45.302 1.00 79.34 ? 1059 TYR D CD1 1 ATOM 6072 C CD2 . TYR D 1 180 ? 30.882 17.220 47.672 1.00 78.78 ? 1059 TYR D CD2 1 ATOM 6073 C CE1 . TYR D 1 180 ? 31.683 18.003 45.141 1.00 81.04 ? 1059 TYR D CE1 1 ATOM 6074 C CE2 . TYR D 1 180 ? 32.016 18.018 47.521 1.00 79.93 ? 1059 TYR D CE2 1 ATOM 6075 C CZ . TYR D 1 180 ? 32.399 18.427 46.259 1.00 81.75 ? 1059 TYR D CZ 1 ATOM 6076 O OH . TYR D 1 180 ? 33.513 19.225 46.137 1.00 76.80 ? 1059 TYR D OH 1 ATOM 6077 N N . TYR D 1 181 ? 26.378 15.449 45.004 1.00 70.21 ? 1060 TYR D N 1 ATOM 6078 C CA . TYR D 1 181 ? 25.355 14.607 44.414 1.00 68.98 ? 1060 TYR D CA 1 ATOM 6079 C C . TYR D 1 181 ? 26.041 13.554 43.563 1.00 69.54 ? 1060 TYR D C 1 ATOM 6080 O O . TYR D 1 181 ? 26.939 13.888 42.788 1.00 69.42 ? 1060 TYR D O 1 ATOM 6081 C CB . TYR D 1 181 ? 24.396 15.466 43.561 1.00 71.31 ? 1060 TYR D CB 1 ATOM 6082 C CG . TYR D 1 181 ? 23.639 16.490 44.382 1.00 75.11 ? 1060 TYR D CG 1 ATOM 6083 C CD1 . TYR D 1 181 ? 22.439 16.163 45.005 1.00 78.99 ? 1060 TYR D CD1 1 ATOM 6084 C CD2 . TYR D 1 181 ? 24.157 17.760 44.596 1.00 76.58 ? 1060 TYR D CD2 1 ATOM 6085 C CE1 . TYR D 1 181 ? 21.757 17.086 45.794 1.00 83.87 ? 1060 TYR D CE1 1 ATOM 6086 C CE2 . TYR D 1 181 ? 23.500 18.682 45.403 1.00 79.48 ? 1060 TYR D CE2 1 ATOM 6087 C CZ . TYR D 1 181 ? 22.292 18.346 45.994 1.00 94.13 ? 1060 TYR D CZ 1 ATOM 6088 O OH . TYR D 1 181 ? 21.615 19.260 46.777 1.00 101.75 ? 1060 TYR D OH 1 ATOM 6089 N N . PHE D 1 182 ? 25.636 12.284 43.719 1.00 61.82 ? 1061 PHE D N 1 ATOM 6090 C CA . PHE D 1 182 ? 26.237 11.168 42.992 1.00 59.34 ? 1061 PHE D CA 1 ATOM 6091 C C . PHE D 1 182 ? 25.229 10.320 42.294 1.00 62.31 ? 1061 PHE D C 1 ATOM 6092 O O . PHE D 1 182 ? 24.174 10.018 42.833 1.00 64.53 ? 1061 PHE D O 1 ATOM 6093 C CB . PHE D 1 182 ? 27.032 10.266 43.955 1.00 61.46 ? 1061 PHE D CB 1 ATOM 6094 C CG . PHE D 1 182 ? 28.103 10.972 44.739 1.00 62.48 ? 1061 PHE D CG 1 ATOM 6095 C CD1 . PHE D 1 182 ? 27.796 11.641 45.915 1.00 63.88 ? 1061 PHE D CD1 1 ATOM 6096 C CD2 . PHE D 1 182 ? 29.414 10.973 44.300 1.00 65.66 ? 1061 PHE D CD2 1 ATOM 6097 C CE1 . PHE D 1 182 ? 28.779 12.329 46.622 1.00 67.63 ? 1061 PHE D CE1 1 ATOM 6098 C CE2 . PHE D 1 182 ? 30.406 11.662 45.013 1.00 70.61 ? 1061 PHE D CE2 1 ATOM 6099 C CZ . PHE D 1 182 ? 30.083 12.337 46.170 1.00 68.39 ? 1061 PHE D CZ 1 ATOM 6100 N N . LYS D 1 183 ? 25.578 9.871 41.119 1.00 58.95 ? 1062 LYS D N 1 ATOM 6101 C CA . LYS D 1 183 ? 24.767 8.936 40.357 1.00 58.38 ? 1062 LYS D CA 1 ATOM 6102 C C . LYS D 1 183 ? 25.638 7.992 39.563 1.00 61.45 ? 1062 LYS D C 1 ATOM 6103 O O . LYS D 1 183 ? 26.767 8.342 39.231 1.00 63.06 ? 1062 LYS D O 1 ATOM 6104 C CB . LYS D 1 183 ? 23.628 9.596 39.550 1.00 60.85 ? 1062 LYS D CB 1 ATOM 6105 C CG . LYS D 1 183 ? 24.021 10.701 38.619 1.00 67.47 ? 1062 LYS D CG 1 ATOM 6106 C CD . LYS D 1 183 ? 22.779 11.420 38.199 1.00 71.53 ? 1062 LYS D CD 1 ATOM 6107 C CE . LYS D 1 183 ? 23.040 12.402 37.095 1.00 84.46 ? 1062 LYS D CE 1 ATOM 6108 N NZ . LYS D 1 183 ? 21.774 13.046 36.652 1.00 86.33 ? 1062 LYS D NZ 1 ATOM 6109 N N . ILE D 1 184 ? 25.171 6.758 39.364 1.00 57.97 ? 1063 ILE D N 1 ATOM 6110 C CA . ILE D 1 184 ? 25.921 5.718 38.646 1.00 58.57 ? 1063 ILE D CA 1 ATOM 6111 C C . ILE D 1 184 ? 25.079 5.088 37.561 1.00 62.43 ? 1063 ILE D C 1 ATOM 6112 O O . ILE D 1 184 ? 23.852 5.039 37.675 1.00 64.34 ? 1063 ILE D O 1 ATOM 6113 C CB . ILE D 1 184 ? 26.395 4.633 39.640 1.00 64.40 ? 1063 ILE D CB 1 ATOM 6114 C CG1 . ILE D 1 184 ? 26.570 5.187 41.057 1.00 68.19 ? 1063 ILE D CG1 1 ATOM 6115 C CG2 . ILE D 1 184 ? 27.656 3.872 39.157 1.00 65.58 ? 1063 ILE D CG2 1 ATOM 6116 C CD1 . ILE D 1 184 ? 26.985 4.218 42.018 1.00 91.88 ? 1063 ILE D CD1 1 ATOM 6117 N N . GLN D 1 185 ? 25.734 4.609 36.501 1.00 56.06 ? 1064 GLN D N 1 ATOM 6118 C CA . GLN D 1 185 ? 25.126 3.812 35.433 1.00 52.56 ? 1064 GLN D CA 1 ATOM 6119 C C . GLN D 1 185 ? 25.988 2.608 35.178 1.00 59.09 ? 1064 GLN D C 1 ATOM 6120 O O . GLN D 1 185 ? 27.207 2.660 35.351 1.00 58.72 ? 1064 GLN D O 1 ATOM 6121 C CB . GLN D 1 185 ? 24.830 4.588 34.145 1.00 52.17 ? 1064 GLN D CB 1 ATOM 6122 C CG . GLN D 1 185 ? 26.022 5.212 33.474 1.00 59.66 ? 1064 GLN D CG 1 ATOM 6123 C CD . GLN D 1 185 ? 25.677 5.987 32.232 1.00 73.62 ? 1064 GLN D CD 1 ATOM 6124 O OE1 . GLN D 1 185 ? 26.511 6.726 31.697 1.00 68.79 ? 1064 GLN D OE1 1 ATOM 6125 N NE2 . GLN D 1 185 ? 24.491 5.774 31.692 1.00 63.29 ? 1064 GLN D NE2 1 ATOM 6126 N N . ALA D 1 186 ? 25.342 1.500 34.820 1.00 59.18 ? 1065 ALA D N 1 ATOM 6127 C CA . ALA D 1 186 ? 25.993 0.221 34.537 1.00 59.03 ? 1065 ALA D CA 1 ATOM 6128 C C . ALA D 1 186 ? 26.302 0.175 33.097 1.00 63.10 ? 1065 ALA D C 1 ATOM 6129 O O . ALA D 1 186 ? 25.637 0.843 32.292 1.00 62.56 ? 1065 ALA D O 1 ATOM 6130 C CB . ALA D 1 186 ? 25.060 -0.942 34.889 1.00 59.52 ? 1065 ALA D CB 1 ATOM 6131 N N . ARG D 1 187 ? 27.280 -0.649 32.752 1.00 61.35 ? 1066 ARG D N 1 ATOM 6132 C CA . ARG D 1 187 ? 27.661 -0.885 31.371 1.00 62.59 ? 1066 ARG D CA 1 ATOM 6133 C C . ARG D 1 187 ? 27.706 -2.369 31.125 1.00 68.61 ? 1066 ARG D C 1 ATOM 6134 O O . ARG D 1 187 ? 28.174 -3.131 31.973 1.00 71.04 ? 1066 ARG D O 1 ATOM 6135 C CB . ARG D 1 187 ? 29.058 -0.305 31.107 1.00 65.89 ? 1066 ARG D CB 1 ATOM 6136 C CG . ARG D 1 187 ? 29.423 -0.186 29.638 1.00 72.71 ? 1066 ARG D CG 1 ATOM 6137 C CD . ARG D 1 187 ? 30.928 -0.204 29.404 1.00 66.00 ? 1066 ARG D CD 1 ATOM 6138 N NE . ARG D 1 187 ? 31.668 0.672 30.313 1.00 76.58 ? 1066 ARG D NE 1 ATOM 6139 C CZ . ARG D 1 187 ? 32.106 1.882 29.984 1.00 93.34 ? 1066 ARG D CZ 1 ATOM 6140 N NH1 . ARG D 1 187 ? 31.855 2.377 28.780 1.00 77.61 ? 1066 ARG D NH1 1 ATOM 6141 N NH2 . ARG D 1 187 ? 32.807 2.606 30.860 1.00 77.99 ? 1066 ARG D NH2 1 ATOM 6142 N N . ASN D 1 188 ? 27.266 -2.782 29.951 1.00 65.32 ? 1067 ASN D N 1 ATOM 6143 C CA . ASN D 1 188 ? 27.436 -4.160 29.494 1.00 65.37 ? 1067 ASN D CA 1 ATOM 6144 C C . ASN D 1 188 ? 27.993 -4.157 28.065 1.00 68.29 ? 1067 ASN D C 1 ATOM 6145 O O . ASN D 1 188 ? 28.236 -3.075 27.514 1.00 66.50 ? 1067 ASN D O 1 ATOM 6146 C CB . ASN D 1 188 ? 26.217 -5.078 29.732 1.00 54.22 ? 1067 ASN D CB 1 ATOM 6147 C CG . ASN D 1 188 ? 25.020 -4.905 28.845 1.00 70.11 ? 1067 ASN D CG 1 ATOM 6148 O OD1 . ASN D 1 188 ? 25.071 -4.371 27.743 1.00 73.75 ? 1067 ASN D OD1 1 ATOM 6149 N ND2 . ASN D 1 188 ? 23.902 -5.419 29.301 1.00 58.58 ? 1067 ASN D ND2 1 ATOM 6150 N N . SER D 1 189 ? 28.199 -5.347 27.477 1.00 65.36 ? 1068 SER D N 1 ATOM 6151 C CA . SER D 1 189 ? 28.710 -5.490 26.114 1.00 66.19 ? 1068 SER D CA 1 ATOM 6152 C C . SER D 1 189 ? 27.908 -4.685 25.069 1.00 69.96 ? 1068 SER D C 1 ATOM 6153 O O . SER D 1 189 ? 28.399 -4.465 23.956 1.00 72.46 ? 1068 SER D O 1 ATOM 6154 C CB . SER D 1 189 ? 28.745 -6.961 25.726 1.00 70.50 ? 1068 SER D CB 1 ATOM 6155 O OG . SER D 1 189 ? 27.456 -7.424 25.352 1.00 75.25 ? 1068 SER D OG 1 ATOM 6156 N N . LYS D 1 190 ? 26.676 -4.261 25.418 1.00 64.08 ? 1069 LYS D N 1 ATOM 6157 C CA . LYS D 1 190 ? 25.799 -3.529 24.510 1.00 63.05 ? 1069 LYS D CA 1 ATOM 6158 C C . LYS D 1 190 ? 25.721 -2.011 24.739 1.00 65.10 ? 1069 LYS D C 1 ATOM 6159 O O . LYS D 1 190 ? 25.282 -1.274 23.858 1.00 66.47 ? 1069 LYS D O 1 ATOM 6160 C CB . LYS D 1 190 ? 24.406 -4.167 24.482 1.00 66.11 ? 1069 LYS D CB 1 ATOM 6161 C CG . LYS D 1 190 ? 24.406 -5.666 24.133 1.00 79.31 ? 1069 LYS D CG 1 ATOM 6162 C CD . LYS D 1 190 ? 24.414 -5.938 22.623 1.00 84.88 ? 1069 LYS D CD 1 ATOM 6163 C CE . LYS D 1 190 ? 24.650 -7.397 22.331 1.00 99.53 ? 1069 LYS D CE 1 ATOM 6164 N NZ . LYS D 1 190 ? 23.924 -7.815 21.126 1.00 112.64 ? 1069 LYS D NZ 1 ATOM 6165 N N . GLY D 1 191 ? 26.172 -1.540 25.884 1.00 59.92 ? 1070 GLY D N 1 ATOM 6166 C CA . GLY D 1 191 ? 26.143 -0.112 26.142 1.00 60.36 ? 1070 GLY D CA 1 ATOM 6167 C C . GLY D 1 191 ? 25.770 0.277 27.556 1.00 67.76 ? 1070 GLY D C 1 ATOM 6168 O O . GLY D 1 191 ? 25.832 -0.550 28.473 1.00 67.73 ? 1070 GLY D O 1 ATOM 6169 N N . MET D 1 192 ? 25.428 1.571 27.734 1.00 66.91 ? 1071 MET D N 1 ATOM 6170 C CA . MET D 1 192 ? 25.095 2.191 29.015 1.00 67.65 ? 1071 MET D CA 1 ATOM 6171 C C . MET D 1 192 ? 23.659 1.988 29.355 1.00 72.63 ? 1071 MET D C 1 ATOM 6172 O O . MET D 1 192 ? 22.794 2.110 28.484 1.00 75.81 ? 1071 MET D O 1 ATOM 6173 C CB . MET D 1 192 ? 25.366 3.708 29.000 1.00 71.54 ? 1071 MET D CB 1 ATOM 6174 C CG . MET D 1 192 ? 26.799 4.126 28.659 1.00 77.65 ? 1071 MET D CG 1 ATOM 6175 S SD . MET D 1 192 ? 28.034 3.113 29.489 1.00 83.61 ? 1071 MET D SD 1 ATOM 6176 C CE . MET D 1 192 ? 27.946 3.663 31.083 1.00 78.90 ? 1071 MET D CE 1 ATOM 6177 N N . GLY D 1 193 ? 23.398 1.695 30.620 1.00 66.45 ? 1072 GLY D N 1 ATOM 6178 C CA . GLY D 1 193 ? 22.027 1.549 31.093 1.00 65.08 ? 1072 GLY D CA 1 ATOM 6179 C C . GLY D 1 193 ? 21.552 2.849 31.704 1.00 66.76 ? 1072 GLY D C 1 ATOM 6180 O O . GLY D 1 193 ? 22.273 3.857 31.656 1.00 68.15 ? 1072 GLY D O 1 ATOM 6181 N N . PRO D 1 194 ? 20.364 2.874 32.331 1.00 60.52 ? 1073 PRO D N 1 ATOM 6182 C CA . PRO D 1 194 ? 19.941 4.119 32.994 1.00 60.77 ? 1073 PRO D CA 1 ATOM 6183 C C . PRO D 1 194 ? 20.785 4.428 34.243 1.00 66.56 ? 1073 PRO D C 1 ATOM 6184 O O . PRO D 1 194 ? 21.529 3.573 34.755 1.00 65.25 ? 1073 PRO D O 1 ATOM 6185 C CB . PRO D 1 194 ? 18.473 3.857 33.340 1.00 62.61 ? 1073 PRO D CB 1 ATOM 6186 C CG . PRO D 1 194 ? 18.345 2.412 33.416 1.00 66.05 ? 1073 PRO D CG 1 ATOM 6187 C CD . PRO D 1 194 ? 19.376 1.791 32.529 1.00 61.17 ? 1073 PRO D CD 1 ATOM 6188 N N . MET D 1 195 ? 20.661 5.663 34.725 1.00 65.77 ? 1074 MET D N 1 ATOM 6189 C CA . MET D 1 195 ? 21.362 6.161 35.908 1.00 65.69 ? 1074 MET D CA 1 ATOM 6190 C C . MET D 1 195 ? 20.534 6.007 37.130 1.00 70.37 ? 1074 MET D C 1 ATOM 6191 O O . MET D 1 195 ? 19.312 6.086 37.075 1.00 73.25 ? 1074 MET D O 1 ATOM 6192 C CB . MET D 1 195 ? 21.633 7.651 35.806 1.00 69.28 ? 1074 MET D CB 1 ATOM 6193 C CG . MET D 1 195 ? 22.233 8.060 34.550 1.00 74.94 ? 1074 MET D CG 1 ATOM 6194 S SD . MET D 1 195 ? 23.874 8.591 34.888 1.00 81.56 ? 1074 MET D SD 1 ATOM 6195 C CE . MET D 1 195 ? 24.112 9.637 33.442 1.00 80.29 ? 1074 MET D CE 1 ATOM 6196 N N . SER D 1 196 ? 21.213 5.913 38.268 1.00 65.71 ? 1075 SER D N 1 ATOM 6197 C CA . SER D 1 196 ? 20.590 5.843 39.563 1.00 65.28 ? 1075 SER D CA 1 ATOM 6198 C C . SER D 1 196 ? 20.023 7.228 39.909 1.00 70.24 ? 1075 SER D C 1 ATOM 6199 O O . SER D 1 196 ? 20.361 8.218 39.261 1.00 69.49 ? 1075 SER D O 1 ATOM 6200 C CB . SER D 1 196 ? 21.626 5.404 40.595 1.00 66.46 ? 1075 SER D CB 1 ATOM 6201 O OG . SER D 1 196 ? 22.504 6.464 40.912 1.00 77.10 ? 1075 SER D OG 1 ATOM 6202 N N . GLU D 1 197 ? 19.129 7.296 40.899 1.00 69.31 ? 1076 GLU D N 1 ATOM 6203 C CA . GLU D 1 197 ? 18.659 8.587 41.374 1.00 70.31 ? 1076 GLU D CA 1 ATOM 6204 C C . GLU D 1 197 ? 19.844 9.168 42.149 1.00 73.71 ? 1076 GLU D C 1 ATOM 6205 O O . GLU D 1 197 ? 20.589 8.418 42.821 1.00 72.80 ? 1076 GLU D O 1 ATOM 6206 C CB . GLU D 1 197 ? 17.438 8.442 42.268 1.00 74.13 ? 1076 GLU D CB 1 ATOM 6207 C CG . GLU D 1 197 ? 16.225 7.901 41.524 1.00 95.98 ? 1076 GLU D CG 1 ATOM 6208 C CD . GLU D 1 197 ? 15.382 8.886 40.733 1.00 128.67 ? 1076 GLU D CD 1 ATOM 6209 O OE1 . GLU D 1 197 ? 15.608 10.112 40.864 1.00 126.69 ? 1076 GLU D OE1 1 ATOM 6210 O OE2 . GLU D 1 197 ? 14.510 8.421 39.962 1.00 129.46 ? 1076 GLU D OE2 1 ATOM 6211 N N . ALA D 1 198 ? 20.089 10.476 41.975 1.00 68.94 ? 1077 ALA D N 1 ATOM 6212 C CA . ALA D 1 198 ? 21.202 11.125 42.666 1.00 66.91 ? 1077 ALA D CA 1 ATOM 6213 C C . ALA D 1 198 ? 21.089 10.957 44.172 1.00 69.92 ? 1077 ALA D C 1 ATOM 6214 O O . ALA D 1 198 ? 20.006 11.138 44.751 1.00 70.91 ? 1077 ALA D O 1 ATOM 6215 C CB . ALA D 1 198 ? 21.267 12.596 42.318 1.00 67.97 ? 1077 ALA D CB 1 ATOM 6216 N N . VAL D 1 199 ? 22.198 10.544 44.782 1.00 64.09 ? 1078 VAL D N 1 ATOM 6217 C CA . VAL D 1 199 ? 22.337 10.394 46.217 1.00 64.41 ? 1078 VAL D CA 1 ATOM 6218 C C . VAL D 1 199 ? 23.086 11.622 46.692 1.00 68.61 ? 1078 VAL D C 1 ATOM 6219 O O . VAL D 1 199 ? 24.125 11.976 46.105 1.00 66.56 ? 1078 VAL D O 1 ATOM 6220 C CB . VAL D 1 199 ? 23.079 9.084 46.562 1.00 68.03 ? 1078 VAL D CB 1 ATOM 6221 C CG1 . VAL D 1 199 ? 23.620 9.083 47.999 1.00 68.06 ? 1078 VAL D CG1 1 ATOM 6222 C CG2 . VAL D 1 199 ? 22.158 7.890 46.331 1.00 68.87 ? 1078 VAL D CG2 1 ATOM 6223 N N . GLN D 1 200 ? 22.538 12.301 47.716 1.00 66.41 ? 1079 GLN D N 1 ATOM 6224 C CA . GLN D 1 200 ? 23.189 13.466 48.285 1.00 66.49 ? 1079 GLN D CA 1 ATOM 6225 C C . GLN D 1 200 ? 24.107 13.097 49.476 1.00 70.54 ? 1079 GLN D C 1 ATOM 6226 O O . GLN D 1 200 ? 23.748 12.289 50.344 1.00 72.48 ? 1079 GLN D O 1 ATOM 6227 C CB . GLN D 1 200 ? 22.165 14.525 48.678 1.00 69.19 ? 1079 GLN D CB 1 ATOM 6228 C CG . GLN D 1 200 ? 22.823 15.861 49.020 1.00 91.36 ? 1079 GLN D CG 1 ATOM 6229 C CD . GLN D 1 200 ? 21.884 16.943 49.514 1.00 117.55 ? 1079 GLN D CD 1 ATOM 6230 O OE1 . GLN D 1 200 ? 22.321 18.044 49.839 1.00 112.44 ? 1079 GLN D OE1 1 ATOM 6231 N NE2 . GLN D 1 200 ? 20.580 16.686 49.575 1.00 111.32 ? 1079 GLN D NE2 1 ATOM 6232 N N . PHE D 1 201 ? 25.290 13.705 49.503 1.00 64.41 ? 1080 PHE D N 1 ATOM 6233 C CA . PHE D 1 201 ? 26.241 13.550 50.585 1.00 65.18 ? 1080 PHE D CA 1 ATOM 6234 C C . PHE D 1 201 ? 26.957 14.862 50.859 1.00 74.10 ? 1080 PHE D C 1 ATOM 6235 O O . PHE D 1 201 ? 27.544 15.446 49.947 1.00 76.55 ? 1080 PHE D O 1 ATOM 6236 C CB . PHE D 1 201 ? 27.250 12.431 50.329 1.00 65.46 ? 1080 PHE D CB 1 ATOM 6237 C CG . PHE D 1 201 ? 28.159 12.185 51.525 1.00 68.24 ? 1080 PHE D CG 1 ATOM 6238 C CD1 . PHE D 1 201 ? 27.757 11.349 52.566 1.00 72.46 ? 1080 PHE D CD1 1 ATOM 6239 C CD2 . PHE D 1 201 ? 29.409 12.787 51.604 1.00 69.78 ? 1080 PHE D CD2 1 ATOM 6240 C CE1 . PHE D 1 201 ? 28.584 11.119 53.658 1.00 75.92 ? 1080 PHE D CE1 1 ATOM 6241 C CE2 . PHE D 1 201 ? 30.235 12.567 52.705 1.00 75.79 ? 1080 PHE D CE2 1 ATOM 6242 C CZ . PHE D 1 201 ? 29.821 11.731 53.727 1.00 76.15 ? 1080 PHE D CZ 1 ATOM 6243 N N . ARG D 1 202 ? 26.928 15.310 52.108 1.00 71.36 ? 1081 ARG D N 1 ATOM 6244 C CA . ARG D 1 202 ? 27.612 16.525 52.474 1.00 73.02 ? 1081 ARG D CA 1 ATOM 6245 C C . ARG D 1 202 ? 28.919 16.175 53.198 1.00 78.75 ? 1081 ARG D C 1 ATOM 6246 O O . ARG D 1 202 ? 28.897 15.562 54.280 1.00 77.89 ? 1081 ARG D O 1 ATOM 6247 C CB . ARG D 1 202 ? 26.733 17.404 53.361 1.00 73.60 ? 1081 ARG D CB 1 ATOM 6248 C CG . ARG D 1 202 ? 27.356 18.765 53.578 1.00 75.90 ? 1081 ARG D CG 1 ATOM 6249 C CD . ARG D 1 202 ? 26.733 19.488 54.736 1.00 81.41 ? 1081 ARG D CD 1 ATOM 6250 N NE . ARG D 1 202 ? 27.078 20.896 54.678 1.00 84.86 ? 1081 ARG D NE 1 ATOM 6251 C CZ . ARG D 1 202 ? 26.303 21.836 54.160 1.00 91.15 ? 1081 ARG D CZ 1 ATOM 6252 N NH1 . ARG D 1 202 ? 25.091 21.537 53.709 1.00 68.49 ? 1081 ARG D NH1 1 ATOM 6253 N NH2 . ARG D 1 202 ? 26.718 23.084 54.117 1.00 84.20 ? 1081 ARG D NH2 1 ATOM 6254 N N . THR D 1 203 ? 30.053 16.573 52.589 1.00 76.80 ? 1082 THR D N 1 ATOM 6255 C CA . THR D 1 203 ? 31.387 16.344 53.132 1.00 79.51 ? 1082 THR D CA 1 ATOM 6256 C C . THR D 1 203 ? 31.522 17.020 54.507 1.00 88.45 ? 1082 THR D C 1 ATOM 6257 O O . THR D 1 203 ? 30.986 18.120 54.693 1.00 89.80 ? 1082 THR D O 1 ATOM 6258 C CB . THR D 1 203 ? 32.465 16.884 52.185 1.00 94.11 ? 1082 THR D CB 1 ATOM 6259 O OG1 . THR D 1 203 ? 32.148 18.227 51.830 1.00 99.70 ? 1082 THR D OG1 1 ATOM 6260 C CG2 . THR D 1 203 ? 32.640 16.033 50.941 1.00 93.25 ? 1082 THR D CG2 1 ATOM 6261 N N . PRO D 1 204 ? 32.224 16.389 55.484 1.00 86.39 ? 1083 PRO D N 1 ATOM 6262 C CA . PRO D 1 204 ? 32.404 17.032 56.793 1.00 87.90 ? 1083 PRO D CA 1 ATOM 6263 C C . PRO D 1 204 ? 33.123 18.382 56.732 1.00 89.63 ? 1083 PRO D C 1 ATOM 6264 O O . PRO D 1 204 ? 33.726 18.742 55.707 1.00 87.82 ? 1083 PRO D O 1 ATOM 6265 C CB . PRO D 1 204 ? 33.237 16.010 57.580 1.00 92.97 ? 1083 PRO D CB 1 ATOM 6266 C CG . PRO D 1 204 ? 33.855 15.136 56.571 1.00 97.03 ? 1083 PRO D CG 1 ATOM 6267 C CD . PRO D 1 204 ? 32.904 15.078 55.432 1.00 89.34 ? 1083 PRO D CD 1 ATOM 6268 N N . LYS D 1 205 ? 32.998 19.148 57.820 1.00 86.00 ? 1084 LYS D N 1 ATOM 6269 C CA . LYS D 1 205 ? 33.629 20.437 57.977 1.00 86.69 ? 1084 LYS D CA 1 ATOM 6270 C C . LYS D 1 205 ? 34.865 20.167 58.881 1.00 98.38 ? 1084 LYS D C 1 ATOM 6271 O O . LYS D 1 205 ? 34.711 19.490 59.914 1.00 101.75 ? 1084 LYS D O 1 ATOM 6272 C CB . LYS D 1 205 ? 32.610 21.368 58.640 1.00 88.19 ? 1084 LYS D CB 1 ATOM 6273 C CG . LYS D 1 205 ? 33.161 22.725 59.053 1.00 94.41 ? 1084 LYS D CG 1 ATOM 6274 C CD . LYS D 1 205 ? 32.113 23.632 59.679 1.00 90.87 ? 1084 LYS D CD 1 ATOM 6275 C CE . LYS D 1 205 ? 32.662 25.028 59.819 1.00 105.40 ? 1084 LYS D CE 1 ATOM 6276 N NZ . LYS D 1 205 ? 33.222 25.539 58.528 1.00 121.86 ? 1084 LYS D NZ 1 ATOM 6277 N N . ALA D 1 206 ? 36.083 20.646 58.494 1.00 95.73 ? 1085 ALA D N 1 ATOM 6278 C CA . ALA D 1 206 ? 37.296 20.424 59.309 1.00 107.17 ? 1085 ALA D CA 1 ATOM 6279 C C . ALA D 1 206 ? 37.282 21.188 60.643 1.00 143.03 ? 1085 ALA D C 1 ATOM 6280 O O . ALA D 1 206 ? 37.860 20.731 61.635 1.00 125.85 ? 1085 ALA D O 1 ATOM 6281 C CB . ALA D 1 206 ? 38.542 20.773 58.516 1.00 108.98 ? 1085 ALA D CB 1 HETATM 6282 C C1 . NAG E 2 . ? -7.424 -18.734 26.111 1.00 129.07 ? 2084 NAG A C1 1 HETATM 6283 C C2 . NAG E 2 . ? -6.387 -19.042 25.031 1.00 132.34 ? 2084 NAG A C2 1 HETATM 6284 C C3 . NAG E 2 . ? -7.064 -20.053 24.097 1.00 133.84 ? 2084 NAG A C3 1 HETATM 6285 C C4 . NAG E 2 . ? -7.512 -21.301 24.862 1.00 132.32 ? 2084 NAG A C4 1 HETATM 6286 C C5 . NAG E 2 . ? -8.328 -20.938 26.105 1.00 131.02 ? 2084 NAG A C5 1 HETATM 6287 C C6 . NAG E 2 . ? -8.561 -22.100 27.043 1.00 129.95 ? 2084 NAG A C6 1 HETATM 6288 C C7 . NAG E 2 . ? -4.941 -17.589 23.619 1.00 134.70 ? 2084 NAG A C7 1 HETATM 6289 C C8 . NAG E 2 . ? -4.685 -16.166 23.229 1.00 133.82 ? 2084 NAG A C8 1 HETATM 6290 N N2 . NAG E 2 . ? -6.074 -17.810 24.322 1.00 133.78 ? 2084 NAG A N2 1 HETATM 6291 O O3 . NAG E 2 . ? -6.169 -20.429 23.052 1.00 134.94 ? 2084 NAG A O3 1 HETATM 6292 O O4 . NAG E 2 . ? -8.321 -22.107 24.011 1.00 131.09 ? 2084 NAG A O4 1 HETATM 6293 O O5 . NAG E 2 . ? -7.655 -19.922 26.865 1.00 129.96 ? 2084 NAG A O5 1 HETATM 6294 O O6 . NAG E 2 . ? -7.388 -22.431 27.772 1.00 129.52 ? 2084 NAG A O6 1 HETATM 6295 O O7 . NAG E 2 . ? -4.171 -18.497 23.308 1.00 135.94 ? 2084 NAG A O7 1 HETATM 6296 C C1 . NAG F 2 . ? 39.410 28.586 24.436 1.00 88.76 ? 2084 NAG B C1 1 HETATM 6297 C C2 . NAG F 2 . ? 38.495 28.843 23.241 1.00 91.62 ? 2084 NAG B C2 1 HETATM 6298 C C3 . NAG F 2 . ? 39.049 30.003 22.408 1.00 92.58 ? 2084 NAG B C3 1 HETATM 6299 C C4 . NAG F 2 . ? 39.326 31.242 23.259 1.00 91.48 ? 2084 NAG B C4 1 HETATM 6300 C C5 . NAG F 2 . ? 40.037 30.923 24.574 1.00 92.82 ? 2084 NAG B C5 1 HETATM 6301 C C6 . NAG F 2 . ? 39.922 32.041 25.590 1.00 95.51 ? 2084 NAG B C6 1 HETATM 6302 C C7 . NAG F 2 . ? 37.497 26.720 22.491 1.00 96.30 ? 2084 NAG B C7 1 HETATM 6303 C C8 . NAG F 2 . ? 37.634 25.569 21.545 1.00 97.15 ? 2084 NAG B C8 1 HETATM 6304 N N2 . NAG F 2 . ? 38.473 27.629 22.443 1.00 94.19 ? 2084 NAG B N2 1 HETATM 6305 O O3 . NAG F 2 . ? 38.129 30.336 21.370 1.00 92.58 ? 2084 NAG B O3 1 HETATM 6306 O O4 . NAG F 2 . ? 40.183 32.087 22.497 1.00 90.90 ? 2084 NAG B O4 1 HETATM 6307 O O5 . NAG F 2 . ? 39.448 29.776 25.202 1.00 92.39 ? 2084 NAG B O5 1 HETATM 6308 O O6 . NAG F 2 . ? 39.380 31.591 26.842 1.00 95.80 ? 2084 NAG B O6 1 HETATM 6309 O O7 . NAG F 2 . ? 36.548 26.817 23.263 1.00 97.74 ? 2084 NAG B O7 1 HETATM 6310 C C1 . NAG G 2 . ? 32.391 32.335 18.235 1.00 116.72 ? 2084 NAG C C1 1 HETATM 6311 C C2 . NAG G 2 . ? 32.904 31.436 19.359 1.00 120.18 ? 2084 NAG C C2 1 HETATM 6312 C C3 . NAG G 2 . ? 34.003 32.205 20.093 1.00 121.09 ? 2084 NAG C C3 1 HETATM 6313 C C4 . NAG G 2 . ? 35.130 32.564 19.123 1.00 120.22 ? 2084 NAG C C4 1 HETATM 6314 C C5 . NAG G 2 . ? 34.609 33.399 17.956 1.00 116.95 ? 2084 NAG C C5 1 HETATM 6315 C C6 . NAG G 2 . ? 35.613 33.498 16.830 1.00 113.01 ? 2084 NAG C C6 1 HETATM 6316 C C7 . NAG G 2 . ? 31.311 29.863 20.419 1.00 118.70 ? 2084 NAG C C7 1 HETATM 6317 C C8 . NAG G 2 . ? 30.047 29.767 21.225 1.00 118.25 ? 2084 NAG C C8 1 HETATM 6318 N N2 . NAG G 2 . ? 31.813 31.103 20.272 1.00 121.21 ? 2084 NAG C N2 1 HETATM 6319 O O3 . NAG G 2 . ? 34.505 31.424 21.175 1.00 120.59 ? 2084 NAG C O3 1 HETATM 6320 O O4 . NAG G 2 . ? 36.168 33.270 19.798 1.00 120.14 ? 2084 NAG C O4 1 HETATM 6321 O O5 . NAG G 2 . ? 33.443 32.787 17.370 1.00 117.79 ? 2084 NAG C O5 1 HETATM 6322 O O6 . NAG G 2 . ? 35.644 32.290 16.066 1.00 111.14 ? 2084 NAG C O6 1 HETATM 6323 O O7 . NAG G 2 . ? 31.839 28.872 19.925 1.00 116.52 ? 2084 NAG C O7 1 HETATM 6324 C C1 . NAG H 2 . ? -3.593 -23.853 18.287 1.00 91.68 ? 2086 NAG D C1 1 HETATM 6325 C C2 . NAG H 2 . ? -4.186 -22.758 19.176 1.00 94.49 ? 2086 NAG D C2 1 HETATM 6326 C C3 . NAG H 2 . ? -5.253 -23.379 20.075 1.00 96.54 ? 2086 NAG D C3 1 HETATM 6327 C C4 . NAG H 2 . ? -6.276 -24.154 19.245 1.00 100.71 ? 2086 NAG D C4 1 HETATM 6328 C C5 . NAG H 2 . ? -5.610 -25.191 18.334 1.00 96.96 ? 2086 NAG D C5 1 HETATM 6329 C C6 . NAG H 2 . ? -6.562 -25.804 17.333 1.00 95.89 ? 2086 NAG D C6 1 HETATM 6330 C C7 . NAG H 2 . ? -2.920 -20.873 20.150 1.00 96.60 ? 2086 NAG D C7 1 HETATM 6331 C C8 . NAG H 2 . ? -1.698 -20.492 20.925 1.00 95.84 ? 2086 NAG D C8 1 HETATM 6332 N N2 . NAG H 2 . ? -3.109 -22.191 19.971 1.00 96.30 ? 2086 NAG D N2 1 HETATM 6333 O O3 . NAG H 2 . ? -5.906 -22.342 20.805 1.00 95.06 ? 2086 NAG D O3 1 HETATM 6334 O O4 . NAG H 2 . ? -7.188 -24.796 20.132 1.00 105.51 ? 2086 NAG D O4 1 HETATM 6335 O O5 . NAG H 2 . ? -4.572 -24.582 17.548 1.00 94.20 ? 2086 NAG D O5 1 HETATM 6336 O O6 . NAG H 2 . ? -6.782 -24.934 16.224 1.00 94.81 ? 2086 NAG D O6 1 HETATM 6337 O O7 . NAG H 2 . ? -3.707 -20.032 19.720 1.00 97.30 ? 2086 NAG D 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 5 ? 1.7658 1.2285 2.2599 -0.6399 0.4704 0.1658 884 PRO A N 2 C CA . PRO A 5 ? 1.6565 1.1725 2.1329 -0.5802 0.4214 0.1596 884 PRO A CA 3 C C . PRO A 5 ? 1.5930 1.1627 2.0674 -0.5145 0.4277 0.1929 884 PRO A C 4 O O . PRO A 5 ? 1.5512 1.1971 2.0864 -0.5223 0.4448 0.2083 884 PRO A O 5 C CB . PRO A 5 ? 1.6206 1.2502 2.1759 -0.6212 0.3689 0.1262 884 PRO A CB 6 C CG . PRO A 5 ? 1.7103 1.4024 2.3574 -0.6845 0.3907 0.1283 884 PRO A CG 7 C CD . PRO A 5 ? 1.7619 1.3384 2.3671 -0.7049 0.4572 0.1491 884 PRO A CD 8 N N . MET A 6 ? 1.4979 1.0255 1.9012 -0.4513 0.4160 0.2033 885 MET A N 9 C CA . MET A 6 ? 1.4168 0.9854 1.8035 -0.3910 0.4169 0.2315 885 MET A CA 10 C C . MET A 6 ? 1.3467 1.0418 1.7925 -0.3784 0.3740 0.2170 885 MET A C 11 O O . MET A 6 ? 1.2999 1.0332 1.7724 -0.3961 0.3340 0.1873 885 MET A O 12 C CB . MET A 6 ? 1.4583 0.9478 1.7568 -0.3317 0.4151 0.2476 885 MET A CB 13 C CG . MET A 6 ? 1.6126 0.9809 1.8469 -0.3259 0.4627 0.2760 885 MET A CG 14 S SD . MET A 6 ? 1.6740 0.9748 1.8187 -0.2456 0.4580 0.3056 885 MET A SD 15 C CE . MET A 6 ? 1.5645 0.9459 1.7057 -0.2065 0.4537 0.3353 885 MET A CE 16 N N . MET A 7 ? 1.2643 1.0164 1.7232 -0.3478 0.3845 0.2385 886 MET A N 17 C CA . MET A 7 ? 1.1647 1.0256 1.6722 -0.3285 0.3523 0.2298 886 MET A CA 18 C C . MET A 7 ? 1.1550 1.0082 1.6082 -0.2802 0.3148 0.2227 886 MET A C 19 O O . MET A 7 ? 1.1623 0.9598 1.5464 -0.2408 0.3254 0.2420 886 MET A O 20 C CB . MET A 7 ? 1.1858 1.0866 1.7073 -0.3093 0.3851 0.2552 886 MET A CB 21 C CG . MET A 7 ? 1.2403 1.2162 1.8577 -0.3499 0.4061 0.2543 886 MET A CG 22 S SD . MET A 7 ? 1.2629 1.3049 1.8940 -0.3089 0.4308 0.2752 886 MET A SD 23 C CE . MET A 7 ? 1.1127 1.2355 1.7654 -0.2751 0.3688 0.2530 886 MET A CE 24 N N . PRO A 8 ? 1.0447 0.9540 1.5274 -0.2830 0.2705 0.1967 887 PRO A N 25 C CA . PRO A 8 ? 0.9959 0.8968 1.4288 -0.2404 0.2400 0.1898 887 PRO A CA 26 C C . PRO A 8 ? 0.9740 0.9145 1.3908 -0.1960 0.2408 0.2068 887 PRO A C 27 O O . PRO A 8 ? 0.9391 0.9356 1.3973 -0.1986 0.2549 0.2157 887 PRO A O 28 C CB . PRO A 8 ? 0.9804 0.9300 1.4483 -0.2613 0.1975 0.1593 887 PRO A CB 29 C CG . PRO A 8 ? 1.0237 1.0485 1.5751 -0.2989 0.1983 0.1569 887 PRO A CG 30 C CD . PRO A 8 ? 1.0360 1.0199 1.5966 -0.3247 0.2454 0.1745 887 PRO A CD 31 N N . PRO A 9 ? 0.9179 0.8301 1.2759 -0.1563 0.2276 0.2109 888 PRO A N 32 C CA . PRO A 9 ? 0.8716 0.8183 1.2076 -0.1204 0.2248 0.2228 888 PRO A CA 33 C C . PRO A 9 ? 0.8288 0.8553 1.2103 -0.1195 0.2054 0.2088 888 PRO A C 34 O O . PRO A 9 ? 0.8003 0.8601 1.2240 -0.1393 0.1814 0.1887 888 PRO A O 35 C CB . PRO A 9 ? 0.8857 0.7972 1.1653 -0.0877 0.2058 0.2233 888 PRO A CB 36 C CG . PRO A 9 ? 1.0007 0.8398 1.2619 -0.0978 0.2175 0.2257 888 PRO A CG 37 C CD . PRO A 9 ? 0.9565 0.8056 1.2675 -0.1428 0.2171 0.2050 888 PRO A CD 38 N N . VAL A 10 ? 0.7527 0.8049 1.1214 -0.0969 0.2173 0.2206 889 VAL A N 39 C CA . VAL A 10 ? 0.7153 0.8336 1.1203 -0.0880 0.2070 0.2118 889 VAL A CA 40 C C . VAL A 10 ? 0.7741 0.8866 1.1213 -0.0544 0.1968 0.2118 889 VAL A C 41 O O . VAL A 10 ? 0.8207 0.8893 1.1081 -0.0405 0.1977 0.2209 889 VAL A O 42 C CB . VAL A 10 ? 0.7866 0.9458 1.2457 -0.0987 0.2417 0.2238 889 VAL A CB 43 C CG1 . VAL A 10 ? 0.7986 0.9877 1.3353 -0.1383 0.2438 0.2189 889 VAL A CG1 44 C CG2 . VAL A 10 ? 0.8393 0.9547 1.2488 -0.0896 0.2838 0.2467 889 VAL A CG2 45 N N . GLY A 11 ? 0.6802 0.8364 1.0460 -0.0422 0.1879 0.2031 890 GLY A N 46 C CA . GLY A 11 ? 0.6491 0.7990 0.9623 -0.0164 0.1821 0.2002 890 GLY A CA 47 C C . GLY A 11 ? 0.6963 0.8186 0.9615 -0.0078 0.1539 0.1916 890 GLY A C 48 O O . GLY A 11 ? 0.7354 0.8357 0.9434 0.0065 0.1543 0.1963 890 GLY A O 49 N N . VAL A 12 ? 0.6159 0.7405 0.9045 -0.0185 0.1300 0.1787 891 VAL A N 50 C CA . VAL A 12 ? 0.5905 0.6927 0.8451 -0.0106 0.1073 0.1692 891 VAL A CA 51 C C . VAL A 12 ? 0.6641 0.7828 0.8960 0.0037 0.0917 0.1573 891 VAL A C 52 O O . VAL A 12 ? 0.6569 0.8013 0.9124 0.0027 0.0835 0.1475 891 VAL A O 53 C CB . VAL A 12 ? 0.5837 0.6720 0.8601 -0.0273 0.0932 0.1571 891 VAL A CB 54 C CG1 . VAL A 12 ? 0.5642 0.6239 0.8060 -0.0152 0.0807 0.1511 891 VAL A CG1 55 C CG2 . VAL A 12 ? 0.6047 0.6714 0.9035 -0.0473 0.1123 0.1668 891 VAL A CG2 56 N N . GLN A 13 ? 0.6414 0.7454 0.8281 0.0161 0.0872 0.1595 892 GLN A N 57 C CA . GLN A 13 ? 0.6178 0.7306 0.7784 0.0240 0.0753 0.1472 892 GLN A CA 58 C C . GLN A 13 ? 0.6879 0.7935 0.8290 0.0279 0.0586 0.1414 892 GLN A C 59 O O . GLN A 13 ? 0.7154 0.8095 0.8523 0.0320 0.0585 0.1526 892 GLN A O 60 C CB . GLN A 13 ? 0.6426 0.7520 0.7658 0.0308 0.0902 0.1530 892 GLN A CB 61 C CG . GLN A 13 ? 0.5625 0.6839 0.7095 0.0324 0.1106 0.1551 892 GLN A CG 62 C CD . GLN A 13 ? 0.7174 0.8285 0.8232 0.0413 0.1221 0.1497 892 GLN A CD 63 O OE1 . GLN A 13 ? 0.7023 0.7954 0.7711 0.0439 0.1438 0.1577 892 GLN A OE1 64 N N . ALA A 14 ? 0.6368 0.7491 0.7675 0.0283 0.0471 0.1259 893 ALA A N 65 C CA . ALA A 14 ? 0.6051 0.7186 0.7242 0.0303 0.0349 0.1187 893 ALA A CA 66 C C . ALA A 14 ? 0.6970 0.8172 0.7803 0.0292 0.0323 0.1141 893 ALA A C 67 O O . ALA A 14 ? 0.6956 0.8096 0.7625 0.0271 0.0388 0.1070 893 ALA A O 68 C CB . ALA A 14 ? 0.5825 0.6909 0.7147 0.0259 0.0276 0.1027 893 ALA A CB 69 N N . SER A 15 ? 0.6822 0.8144 0.7532 0.0307 0.0232 0.1197 894 SER A N 70 C CA . SER A 15 ? 0.6863 0.8275 0.7226 0.0224 0.0164 0.1131 894 SER A CA 71 C C . SER A 15 ? 0.6628 0.8263 0.7179 0.0192 0.0044 0.1048 894 SER A C 72 O O . SER A 15 ? 0.6948 0.8765 0.7769 0.0291 -0.0023 0.1160 894 SER A O 73 C CB . SER A 15 ? 0.7871 0.9316 0.7922 0.0236 0.0123 0.1290 894 SER A CB 74 O OG . SER A 15 ? 0.8762 1.0223 0.8369 0.0091 0.0055 0.1188 894 SER A OG 75 N N . ILE A 16 ? 0.5410 0.7004 0.5839 0.0071 0.0059 0.0867 895 ILE A N 76 C CA . ILE A 16 ? 0.5147 0.6954 0.5772 0.0006 0.0009 0.0772 895 ILE A CA 77 C C . ILE A 16 ? 0.6238 0.8408 0.6802 -0.0114 -0.0140 0.0791 895 ILE A C 78 O O . ILE A 16 ? 0.6733 0.8812 0.6873 -0.0282 -0.0166 0.0717 895 ILE A O 79 C CB . ILE A 16 ? 0.5269 0.6829 0.5768 -0.0088 0.0113 0.0584 895 ILE A CB 80 C CG1 . ILE A 16 ? 0.5052 0.6279 0.5492 0.0005 0.0191 0.0577 895 ILE A CG1 81 C CG2 . ILE A 16 ? 0.5299 0.7022 0.6075 -0.0113 0.0139 0.0514 895 ILE A CG2 82 C CD1 . ILE A 16 ? 0.5045 0.6261 0.5803 0.0125 0.0181 0.0659 895 ILE A CD1 83 N N . LEU A 17 ? 0.5645 0.8223 0.6633 -0.0028 -0.0236 0.0889 896 LEU A N 84 C CA . LEU A 17 ? 0.5813 0.8901 0.6887 -0.0121 -0.0445 0.0951 896 LEU A CA 85 C C . LEU A 17 ? 0.6532 1.0020 0.7979 -0.0261 -0.0449 0.0830 896 LEU A C 86 O O . LEU A 17 ? 0.6774 1.0590 0.8147 -0.0504 -0.0597 0.0763 896 LEU A O 87 C CB . LEU A 17 ? 0.5771 0.9131 0.7074 0.0122 -0.0590 0.1232 896 LEU A CB 88 C CG . LEU A 17 ? 0.6348 0.9323 0.7243 0.0220 -0.0565 0.1372 896 LEU A CG 89 C CD1 . LEU A 17 ? 0.6427 0.9558 0.7514 0.0475 -0.0661 0.1660 896 LEU A CD1 90 C CD2 . LEU A 17 ? 0.7010 0.9872 0.7291 0.0012 -0.0648 0.1314 896 LEU A CD2 91 N N . SER A 18 ? 0.5944 0.9395 0.7769 -0.0136 -0.0274 0.0797 897 SER A N 92 C CA . SER A 18 ? 0.5777 0.9579 0.7991 -0.0256 -0.0192 0.0686 897 SER A CA 93 C C . SER A 18 ? 0.6060 0.9404 0.8264 -0.0189 0.0093 0.0562 897 SER A C 94 O O . SER A 18 ? 0.6131 0.8921 0.7982 -0.0113 0.0165 0.0534 897 SER A O 95 C CB . SER A 18 ? 0.5885 1.0420 0.8777 -0.0091 -0.0318 0.0875 897 SER A CB 96 O OG . SER A 18 ? 0.5966 1.0356 0.9160 0.0258 -0.0177 0.1013 897 SER A OG 97 N N . HIS A 19 ? 0.5296 0.8897 0.7885 -0.0229 0.0250 0.0492 898 HIS A N 98 C CA . HIS A 19 ? 0.5146 0.8318 0.7682 -0.0169 0.0540 0.0377 898 HIS A CA 99 C C . HIS A 19 ? 0.5625 0.8672 0.8416 0.0163 0.0625 0.0504 898 HIS A C 100 O O . HIS A 19 ? 0.5686 0.8250 0.8297 0.0223 0.0840 0.0408 898 HIS A O 101 C CB . HIS A 19 ? 0.5196 0.8717 0.8080 -0.0332 0.0729 0.0275 898 HIS A CB 102 C CG . HIS A 19 ? 0.5436 0.9794 0.9125 -0.0206 0.0667 0.0429 898 HIS A CG 103 N ND1 . HIS A 19 ? 0.5498 1.0550 0.9466 -0.0380 0.0393 0.0493 898 HIS A ND1 104 C CD2 . HIS A 19 ? 0.5561 1.0139 0.9799 0.0102 0.0831 0.0548 898 HIS A CD2 105 C CE1 . HIS A 19 ? 0.5302 1.1071 1.0054 -0.0163 0.0367 0.0668 898 HIS A CE1 106 N NE2 . HIS A 19 ? 0.5377 1.0864 1.0325 0.0157 0.0653 0.0714 898 HIS A NE2 107 N N . ASP A 20 ? 0.5393 0.8803 0.8521 0.0367 0.0463 0.0719 899 ASP A N 108 C CA . ASP A 20 ? 0.5539 0.8753 0.8881 0.0685 0.0577 0.0853 899 ASP A CA 109 C C . ASP A 20 ? 0.6388 0.9466 0.9577 0.0823 0.0392 0.1044 899 ASP A C 110 O O . ASP A 20 ? 0.6603 0.9421 0.9906 0.1071 0.0496 0.1169 899 ASP A O 111 C CB . ASP A 20 ? 0.5791 0.9570 0.9849 0.0897 0.0700 0.0971 899 ASP A CB 112 C CG . ASP A 20 ? 0.7331 1.1923 1.1880 0.1003 0.0417 0.1215 899 ASP A CG 113 O OD1 . ASP A 20 ? 0.7442 1.2420 1.1885 0.0737 0.0163 0.1180 899 ASP A OD1 114 O OD2 . ASP A 20 ? 0.8273 1.3112 1.3305 0.1352 0.0457 0.1440 899 ASP A OD2 115 N N . THR A 21 ? 0.5933 0.9105 0.8812 0.0656 0.0163 0.1062 900 THR A N 116 C CA . THR A 21 ? 0.6048 0.9093 0.8730 0.0762 0.0021 0.1251 900 THR A CA 117 C C . THR A 21 ? 0.6287 0.8912 0.8439 0.0586 -0.0005 0.1157 900 THR A C 118 O O . THR A 21 ? 0.6094 0.8755 0.7978 0.0369 -0.0058 0.1019 900 THR A O 119 C CB . THR A 21 ? 0.7932 1.1587 1.0827 0.0844 -0.0229 0.1474 900 THR A CB 120 O OG1 . THR A 21 ? 0.8092 1.2165 1.1603 0.1088 -0.0180 0.1606 900 THR A OG1 121 C CG2 . THR A 21 ? 0.8414 1.1861 1.1006 0.0969 -0.0346 0.1701 900 THR A CG2 122 N N . ILE A 22 ? 0.5823 0.8043 0.7854 0.0688 0.0061 0.1243 901 ILE A N 123 C CA . ILE A 22 ? 0.5554 0.7455 0.7237 0.0580 0.0066 0.1215 901 ILE A CA 124 C C . ILE A 22 ? 0.6590 0.8389 0.8228 0.0713 0.0053 0.1457 901 ILE A C 125 O O . ILE A 22 ? 0.6658 0.8281 0.8489 0.0878 0.0140 0.1578 901 ILE A O 126 C CB . ILE A 22 ? 0.5748 0.7256 0.7369 0.0502 0.0187 0.1046 901 ILE A CB 127 C CG1 . ILE A 22 ? 0.5655 0.7183 0.7197 0.0382 0.0214 0.0836 901 ILE A CG1 128 C CG2 . ILE A 22 ? 0.5851 0.7165 0.7272 0.0421 0.0190 0.1058 901 ILE A CG2 129 C CD1 . ILE A 22 ? 0.6468 0.7613 0.7873 0.0318 0.0288 0.0683 901 ILE A CD1 130 N N . ARG A 23 ? 0.6425 0.8244 0.7738 0.0641 -0.0012 0.1527 902 ARG A N 131 C CA . ARG A 23 ? 0.6746 0.8373 0.7905 0.0734 0.0028 0.1751 902 ARG A CA 132 C C . ARG A 23 ? 0.7121 0.8389 0.8256 0.0647 0.0207 0.1698 902 ARG A C 133 O O . ARG A 23 ? 0.6660 0.7915 0.7673 0.0517 0.0243 0.1559 902 ARG A O 134 C CB . ARG A 23 ? 0.7092 0.8855 0.7828 0.0689 -0.0092 0.1857 902 ARG A CB 135 C CG . ARG A 23 ? 0.8308 1.0091 0.8958 0.0879 -0.0174 0.2162 902 ARG A CG 136 C CD . ARG A 23 ? 0.9367 1.0809 0.9622 0.0921 -0.0071 0.2372 902 ARG A CD 137 N NE . ARG A 23 ? 1.0820 1.2234 1.0514 0.0768 -0.0100 0.2332 902 ARG A NE 138 C CZ . ARG A 23 ? 1.3550 1.4665 1.2756 0.0788 -0.0001 0.2519 902 ARG A CZ 139 N NH1 . ARG A 23 ? 1.1506 1.2352 1.0737 0.0953 0.0106 0.2778 902 ARG A NH1 140 N NH2 . ARG A 23 ? 1.2964 1.3959 1.1600 0.0639 0.0039 0.2443 902 ARG A NH2 141 N N . ILE A 24 ? 0.7024 0.8010 0.8288 0.0722 0.0327 0.1828 903 ILE A N 142 C CA . ILE A 24 ? 0.6779 0.7496 0.8101 0.0599 0.0489 0.1803 903 ILE A CA 143 C C . ILE A 24 ? 0.7036 0.7600 0.8130 0.0619 0.0606 0.2025 903 ILE A C 144 O O . ILE A 24 ? 0.7247 0.7694 0.8194 0.0769 0.0600 0.2243 903 ILE A O 145 C CB . ILE A 24 ? 0.7181 0.7601 0.8763 0.0569 0.0576 0.1735 903 ILE A CB 146 C CG1 . ILE A 24 ? 0.6938 0.7445 0.8630 0.0553 0.0490 0.1511 903 ILE A CG1 147 C CG2 . ILE A 24 ? 0.7311 0.7549 0.9024 0.0373 0.0703 0.1700 903 ILE A CG2 148 C CD1 . ILE A 24 ? 0.7411 0.8146 0.9046 0.0426 0.0396 0.1325 903 ILE A CD1 149 N N . THR A 25 ? 0.6746 0.7315 0.7794 0.0494 0.0726 0.1988 904 THR A N 150 C CA . THR A 25 ? 0.7240 0.7620 0.8050 0.0486 0.0920 0.2186 904 THR A CA 151 C C . THR A 25 ? 0.7322 0.7632 0.8484 0.0327 0.1129 0.2151 904 THR A C 152 O O . THR A 25 ? 0.6653 0.7171 0.8161 0.0227 0.1073 0.1959 904 THR A O 153 C CB . THR A 25 ? 0.8827 0.9306 0.9178 0.0494 0.0920 0.2193 904 THR A CB 154 O OG1 . THR A 25 ? 0.9350 1.0009 0.9849 0.0409 0.0946 0.1983 904 THR A OG1 155 C CG2 . THR A 25 ? 0.8191 0.8805 0.8187 0.0590 0.0668 0.2233 904 THR A CG2 156 N N . TRP A 26 ? 0.7303 0.7337 0.8382 0.0294 0.1364 0.2350 905 TRP A N 157 C CA . TRP A 26 ? 0.7303 0.7320 0.8780 0.0098 0.1598 0.2345 905 TRP A CA 158 C C . TRP A 26 ? 0.8040 0.7783 0.9223 0.0090 0.1909 0.2585 905 TRP A C 159 O O . TRP A 26 ? 0.8175 0.7695 0.8774 0.0247 0.1901 0.2756 905 TRP A O 160 C CB . TRP A 26 ? 0.7262 0.7081 0.9098 -0.0041 0.1576 0.2280 905 TRP A CB 161 C CG . TRP A 26 ? 0.7981 0.7289 0.9520 0.0073 0.1640 0.2469 905 TRP A CG 162 C CD1 . TRP A 26 ? 0.8921 0.7773 1.0326 0.0019 0.1913 0.2685 905 TRP A CD1 163 C CD2 . TRP A 26 ? 0.7992 0.7188 0.9335 0.0299 0.1450 0.2488 905 TRP A CD2 164 N NE1 . TRP A 26 ? 0.9300 0.7713 1.0393 0.0230 0.1892 0.2854 905 TRP A NE1 165 C CE2 . TRP A 26 ? 0.9068 0.7733 1.0173 0.0415 0.1608 0.2739 905 TRP A CE2 166 C CE3 . TRP A 26 ? 0.7698 0.7193 0.9083 0.0416 0.1191 0.2326 905 TRP A CE3 167 C CZ2 . TRP A 26 ? 0.9144 0.7626 1.0111 0.0688 0.1502 0.2847 905 TRP A CZ2 168 C CZ3 . TRP A 26 ? 0.8089 0.7444 0.9372 0.0644 0.1104 0.2416 905 TRP A CZ3 169 C CH2 . TRP A 26 ? 0.8803 0.7688 0.9906 0.0802 0.1250 0.2682 905 TRP A CH2 170 N N . ALA A 27 ? 0.7734 0.7520 0.9329 -0.0110 0.2177 0.2601 906 ALA A N 171 C CA . ALA A 27 ? 0.8138 0.7654 0.9581 -0.0186 0.2570 0.2816 906 ALA A CA 172 C C . ALA A 27 ? 0.8958 0.8222 1.0794 -0.0424 0.2727 0.2858 906 ALA A C 173 O O . ALA A 27 ? 0.8593 0.8075 1.0958 -0.0589 0.2558 0.2664 906 ALA A O 174 C CB . ALA A 27 ? 0.7988 0.7882 0.9694 -0.0238 0.2807 0.2770 906 ALA A CB 175 N N . ASP A 28 ? 0.9320 0.8052 1.0813 -0.0460 0.3048 0.3109 907 ASP A N 176 C CA . ASP A 28 ? 0.9784 0.8137 1.1557 -0.0727 0.3276 0.3167 907 ASP A CA 177 C C . ASP A 28 ? 1.1202 0.9561 1.3124 -0.0922 0.3740 0.3306 907 ASP A C 178 O O . ASP A 28 ? 1.1877 0.9878 1.3165 -0.0776 0.3989 0.3542 907 ASP A O 179 C CB . ASP A 28 ? 1.0657 0.8243 1.1847 -0.0568 0.3284 0.3371 907 ASP A CB 180 C CG . ASP A 28 ? 1.3166 1.0167 1.4528 -0.0842 0.3536 0.3413 907 ASP A CG 181 O OD1 . ASP A 28 ? 1.3188 1.0438 1.5181 -0.1232 0.3685 0.3263 907 ASP A OD1 182 O OD2 . ASP A 28 ? 1.4546 1.0842 1.5427 -0.0671 0.3583 0.3599 907 ASP A OD2 183 N N . ASN A 29 ? 1.0872 0.9687 1.3638 -0.1256 0.3852 0.3162 908 ASN A N 184 C CA . ASN A 29 ? 1.1384 1.0346 1.4488 -0.1467 0.4339 0.3285 908 ASN A CA 185 C C . ASN A 29 ? 1.2993 1.1182 1.5750 -0.1649 0.4775 0.3530 908 ASN A C 186 O O . ASN A 29 ? 1.3267 1.1319 1.5823 -0.1662 0.5223 0.3723 908 ASN A O 187 C CB . ASN A 29 ? 1.0824 1.0651 1.5035 -0.1749 0.4311 0.3091 908 ASN A CB 188 C CG . ASN A 29 ? 1.2833 1.3370 1.7291 -0.1500 0.4074 0.2955 908 ASN A CG 189 O OD1 . ASN A 29 ? 1.0422 1.0810 1.4240 -0.1171 0.4073 0.3012 908 ASN A OD1 190 N ND2 . ASN A 29 ? 1.2653 1.3952 1.8015 -0.1663 0.3871 0.2781 908 ASN A ND2 191 N N . SER A 30 ? 1.3348 1.0928 1.5917 -0.1750 0.4674 0.3534 909 SER A N 192 C CA . SER A 30 ? 1.4511 1.1167 1.6645 -0.1896 0.5070 0.3775 909 SER A CA 193 C C . SER A 30 ? 1.5661 1.1619 1.6700 -0.1497 0.5197 0.4114 909 SER A C 194 O O . SER A 30 ? 1.6489 1.1558 1.6987 -0.1500 0.5454 0.4359 909 SER A O 195 C CB . SER A 30 ? 1.5409 1.1571 1.7647 -0.2100 0.4929 0.3648 909 SER A CB 196 O OG . SER A 30 ? 1.6083 1.2570 1.8453 -0.1942 0.4412 0.3396 909 SER A OG 197 N N . LEU A 31 ? 1.4971 1.1300 1.5644 -0.1168 0.5014 0.4131 910 LEU A N 198 C CA . LEU A 31 ? 1.5650 1.1469 1.5263 -0.0818 0.5057 0.4425 910 LEU A CA 199 C C . LEU A 31 ? 1.6810 1.2810 1.6240 -0.0859 0.5447 0.4501 910 LEU A C 200 O O . LEU A 31 ? 1.6338 1.3094 1.6471 -0.0971 0.5451 0.4267 910 LEU A O 201 C CB . LEU A 31 ? 1.5043 1.1138 1.4318 -0.0442 0.4493 0.4343 910 LEU A CB 202 C CG . LEU A 31 ? 1.5442 1.1287 1.4696 -0.0269 0.4133 0.4334 910 LEU A CG 203 C CD1 . LEU A 31 ? 1.4749 1.1024 1.3785 0.0058 0.3628 0.4247 910 LEU A CD1 204 C CD2 . LEU A 31 ? 1.6960 1.1859 1.5525 -0.0117 0.4332 0.4706 910 LEU A CD2 205 N N . PRO A 32 ? 1.7341 1.2638 1.5807 -0.0746 0.5789 0.4829 911 PRO A N 206 C CA . PRO A 32 ? 1.8038 1.3429 1.6228 -0.0776 0.6213 0.4881 911 PRO A CA 207 C C . PRO A 32 ? 2.1909 1.7653 1.9613 -0.0493 0.5888 0.4756 911 PRO A C 208 O O . PRO A 32 ? 1.5681 1.1579 1.3186 -0.0273 0.5327 0.4671 911 PRO A O 209 C CB . PRO A 32 ? 1.9587 1.3979 1.6766 -0.0760 0.6663 0.5279 911 PRO A CB 210 C CG . PRO A 32 ? 2.0355 1.4134 1.7350 -0.0701 0.6459 0.5448 911 PRO A CG 211 C CD . PRO A 32 ? 1.8622 1.2975 1.6149 -0.0558 0.5816 0.5182 911 PRO A CD 212 N N . THR A 38 ? 2.1178 1.3824 1.6763 0.1347 0.4013 0.6204 917 THR A N 213 C CA . THR A 38 ? 2.2541 1.4218 1.7233 0.1614 0.4227 0.6724 917 THR A CA 214 C C . THR A 38 ? 2.3546 1.4383 1.8444 0.1663 0.4506 0.6843 917 THR A C 215 O O . THR A 38 ? 2.4552 1.4612 1.8809 0.2032 0.4572 0.7289 917 THR A O 216 C CB . THR A 38 ? 2.4001 1.5230 1.7983 0.1388 0.4669 0.6906 917 THR A CB 217 O OG1 . THR A 38 ? 2.3568 1.4924 1.8232 0.0869 0.5097 0.6581 917 THR A OG1 218 C CG2 . THR A 38 ? 2.3496 1.5213 1.6828 0.1504 0.4376 0.6942 917 THR A CG2 219 N N . ASP A 39 ? 2.2407 1.3379 1.8158 0.1299 0.4651 0.6441 918 ASP A N 220 C CA . ASP A 39 ? 2.2837 1.2980 1.8796 0.1237 0.4942 0.6443 918 ASP A CA 221 C C . ASP A 39 ? 2.2496 1.2882 1.8947 0.1514 0.4604 0.6262 918 ASP A C 222 O O . ASP A 39 ? 2.1813 1.3023 1.8429 0.1816 0.4119 0.6204 918 ASP A O 223 C CB . ASP A 39 ? 2.3053 1.2963 1.9482 0.0575 0.5411 0.6156 918 ASP A CB 224 C CG . ASP A 39 ? 2.2665 1.3644 1.9984 0.0163 0.5225 0.5642 918 ASP A CG 225 O OD1 . ASP A 39 ? 2.1897 1.3454 1.9698 0.0266 0.4829 0.5358 918 ASP A OD1 226 O OD2 . ASP A 39 ? 2.3019 1.4206 2.0582 -0.0267 0.5516 0.5535 918 ASP A OD2 227 N N . SER A 40 ? 2.2111 1.1723 1.8762 0.1378 0.4903 0.6162 919 SER A N 228 C CA . SER A 40 ? 2.1655 1.1212 1.8680 0.1603 0.4747 0.5987 919 SER A CA 229 C C . SER A 40 ? 2.0370 1.0796 1.8187 0.1258 0.4492 0.5415 919 SER A C 230 O O . SER A 40 ? 2.0106 1.0408 1.8190 0.1380 0.4424 0.5226 919 SER A O 231 C CB . SER A 40 ? 2.3387 1.1566 2.0127 0.1586 0.5236 0.6117 919 SER A CB 232 O OG . SER A 40 ? 2.4692 1.2482 2.1675 0.0893 0.5600 0.5791 919 SER A OG 233 N N . ARG A 41 ? 1.8790 1.0039 1.6939 0.0861 0.4375 0.5160 920 ARG A N 234 C CA . ARG A 41 ? 1.7521 0.9569 1.6363 0.0563 0.4117 0.4662 920 ARG A CA 235 C C . ARG A 41 ? 1.7286 1.0077 1.6323 0.0960 0.3651 0.4571 920 ARG A C 236 O O . ARG A 41 ? 1.7297 1.0395 1.6042 0.1383 0.3422 0.4853 920 ARG A O 237 C CB . ARG A 41 ? 1.6501 0.9253 1.5710 0.0095 0.4125 0.4442 920 ARG A CB 238 C CG . ARG A 41 ? 1.6072 0.9717 1.5210 0.0297 0.3820 0.4496 920 ARG A CG 239 C CD . ARG A 41 ? 1.5693 0.9876 1.5166 -0.0112 0.3944 0.4328 920 ARG A CD 240 N NE . ARG A 41 ? 1.7645 1.1189 1.6892 -0.0371 0.4441 0.4539 920 ARG A NE 241 C CZ . ARG A 41 ? 1.9731 1.3577 1.9408 -0.0807 0.4698 0.4408 920 ARG A CZ 242 N NH1 . ARG A 41 ? 1.7562 1.2343 1.7904 -0.0993 0.4477 0.4085 920 ARG A NH1 243 N NH2 . ARG A 41 ? 1.9012 1.2238 1.8477 -0.1047 0.5195 0.4620 920 ARG A NH2 244 N N . TYR A 42 ? 1.6121 0.9202 1.5635 0.0785 0.3509 0.4170 921 TYR A N 245 C CA . TYR A 42 ? 1.5120 0.8918 1.4901 0.1058 0.3123 0.4012 921 TYR A CA 246 C C . TYR A 42 ? 1.4364 0.8748 1.4626 0.0650 0.2960 0.3547 921 TYR A C 247 O O . TYR A 42 ? 1.4303 0.8369 1.4727 0.0205 0.3143 0.3323 921 TYR A O 248 C CB . TYR A 42 ? 1.5747 0.9036 1.5457 0.1479 0.3173 0.4114 921 TYR A CB 249 C CG . TYR A 42 ? 1.6308 0.8852 1.6099 0.1233 0.3437 0.3827 921 TYR A CG 250 C CD1 . TYR A 42 ? 1.5866 0.8760 1.5981 0.1113 0.3272 0.3428 921 TYR A CD1 251 C CD2 . TYR A 42 ? 1.7552 0.8936 1.6994 0.1148 0.3867 0.3966 921 TYR A CD2 252 C CE1 . TYR A 42 ? 1.6581 0.8702 1.6631 0.0886 0.3511 0.3152 921 TYR A CE1 253 C CE2 . TYR A 42 ? 1.8067 0.8654 1.7475 0.0907 0.4120 0.3682 921 TYR A CE2 254 C CZ . TYR A 42 ? 1.8738 0.9699 1.8429 0.0774 0.3931 0.3268 921 TYR A CZ 255 O OH . TYR A 42 ? 1.9744 0.9853 1.9278 0.0496 0.4178 0.2961 921 TYR A OH 256 N N . TYR A 43 ? 1.2975 0.8214 1.3452 0.0790 0.2602 0.3413 922 TYR A N 257 C CA . TYR A 43 ? 1.1920 0.7749 1.2794 0.0490 0.2402 0.3014 922 TYR A CA 258 C C . TYR A 43 ? 1.2054 0.7870 1.3042 0.0647 0.2285 0.2819 922 TYR A C 259 O O . TYR A 43 ? 1.2099 0.7884 1.2994 0.1071 0.2241 0.3002 922 TYR A O 260 C CB . TYR A 43 ? 1.1192 0.7890 1.2158 0.0504 0.2145 0.2992 922 TYR A CB 261 C CG . TYR A 43 ? 1.1605 0.8287 1.2377 0.0403 0.2311 0.3207 922 TYR A CG 262 C CD1 . TYR A 43 ? 1.1808 0.8526 1.2837 -0.0005 0.2495 0.3086 922 TYR A CD1 263 C CD2 . TYR A 43 ? 1.2015 0.8642 1.2337 0.0707 0.2299 0.3543 922 TYR A CD2 264 C CE1 . TYR A 43 ? 1.2201 0.8871 1.3063 -0.0094 0.2730 0.3290 922 TYR A CE1 265 C CE2 . TYR A 43 ? 1.2540 0.9044 1.2562 0.0611 0.2503 0.3742 922 TYR A CE2 266 C CZ . TYR A 43 ? 1.3456 0.9962 1.3759 0.0215 0.2755 0.3613 922 TYR A CZ 267 O OH . TYR A 43 ? 1.4264 1.0637 1.4290 0.0123 0.3027 0.3810 922 TYR A OH 268 N N . THR A 44 ? 1.1367 0.7241 1.2563 0.0311 0.2232 0.2458 923 THR A N 269 C CA . THR A 44 ? 1.1122 0.6959 1.2361 0.0405 0.2149 0.2222 923 THR A CA 270 C C . THR A 44 ? 1.0524 0.7145 1.1991 0.0248 0.1844 0.1967 923 THR A C 271 O O . THR A 44 ? 1.0141 0.6979 1.1763 -0.0123 0.1770 0.1798 923 THR A O 272 C CB . THR A 44 ? 1.3237 0.8170 1.4305 0.0187 0.2404 0.2041 923 THR A CB 273 O OG1 . THR A 44 ? 1.5120 0.9261 1.5935 0.0349 0.2725 0.2331 923 THR A OG1 274 C CG2 . THR A 44 ? 1.3004 0.7754 1.4001 0.0344 0.2402 0.1826 923 THR A CG2 275 N N . VAL A 45 ? 0.9748 0.6827 1.1268 0.0539 0.1672 0.1968 924 VAL A N 276 C CA . VAL A 45 ? 0.9032 0.6770 1.0696 0.0435 0.1411 0.1742 924 VAL A CA 277 C C . VAL A 45 ? 0.9804 0.7274 1.1407 0.0387 0.1430 0.1469 924 VAL A C 278 O O . VAL A 45 ? 1.0297 0.7394 1.1826 0.0645 0.1596 0.1523 924 VAL A O 279 C CB . VAL A 45 ? 0.8869 0.7251 1.0582 0.0715 0.1228 0.1892 924 VAL A CB 280 C CG1 . VAL A 45 ? 0.8018 0.6951 0.9817 0.0584 0.1010 0.1663 924 VAL A CG1 281 C CG2 . VAL A 45 ? 0.8979 0.7484 1.0588 0.0780 0.1237 0.2175 924 VAL A CG2 282 N N . ARG A 46 ? 0.8909 0.6555 1.0519 0.0087 0.1275 0.1196 925 ARG A N 283 C CA . ARG A 46 ? 0.9026 0.6390 1.0448 0.0017 0.1281 0.0925 925 ARG A CA 284 C C . ARG A 46 ? 0.9218 0.7165 1.0670 -0.0020 0.1034 0.0780 925 ARG A C 285 O O . ARG A 46 ? 0.8990 0.7436 1.0596 -0.0134 0.0847 0.0807 925 ARG A O 286 C CB . ARG A 46 ? 0.9249 0.5985 1.0467 -0.0356 0.1357 0.0715 925 ARG A CB 287 C CG . ARG A 46 ? 0.8929 0.6063 1.0314 -0.0736 0.1116 0.0612 925 ARG A CG 288 C CD . ARG A 46 ? 0.9004 0.5615 1.0166 -0.1148 0.1106 0.0353 925 ARG A CD 289 N NE . ARG A 46 ? 0.8032 0.5202 0.9469 -0.1487 0.0819 0.0275 925 ARG A NE 290 C CZ . ARG A 46 ? 1.0857 0.7824 1.2192 -0.1925 0.0681 0.0046 925 ARG A CZ 291 N NH1 . ARG A 46 ? 1.0707 0.6803 1.1566 -0.2107 0.0837 -0.0157 925 ARG A NH1 292 N NH2 . ARG A 46 ? 0.8157 0.5791 0.9866 -0.2188 0.0386 0.0018 925 ARG A NH2 293 N N . TRP A 47 ? 0.8629 0.6460 0.9915 0.0088 0.1079 0.0636 926 TRP A N 294 C CA . TRP A 47 ? 0.8010 0.6258 0.9239 0.0061 0.0901 0.0505 926 TRP A CA 295 C C . TRP A 47 ? 0.8897 0.6700 0.9775 0.0018 0.1008 0.0266 926 TRP A C 296 O O . TRP A 47 ? 0.9197 0.6483 0.9960 0.0144 0.1275 0.0241 926 TRP A O 297 C CB . TRP A 47 ? 0.7217 0.6046 0.8673 0.0323 0.0859 0.0672 926 TRP A CB 298 C CG . TRP A 47 ? 0.7357 0.6121 0.8935 0.0623 0.1059 0.0771 926 TRP A CG 299 C CD1 . TRP A 47 ? 0.7689 0.6498 0.9260 0.0736 0.1167 0.0666 926 TRP A CD1 300 C CD2 . TRP A 47 ? 0.7495 0.6142 0.9255 0.0870 0.1195 0.1018 926 TRP A CD2 301 N NE1 . TRP A 47 ? 0.7875 0.6680 0.9705 0.1050 0.1361 0.0832 926 TRP A NE1 302 C CE2 . TRP A 47 ? 0.8161 0.6858 1.0091 0.1157 0.1361 0.1062 926 TRP A CE2 303 C CE3 . TRP A 47 ? 0.7750 0.6259 0.9544 0.0891 0.1207 0.1230 926 TRP A CE3 304 C CZ2 . TRP A 47 ? 0.8345 0.7004 1.0512 0.1501 0.1497 0.1332 926 TRP A CZ2 305 C CZ3 . TRP A 47 ? 0.8308 0.6678 1.0224 0.1211 0.1350 0.1492 926 TRP A CZ3 306 C CH2 . TRP A 47 ? 0.8567 0.7023 1.0680 0.1530 0.1477 0.1550 926 TRP A CH2 307 N N . LYS A 48 ? 0.8498 0.6466 0.9166 -0.0135 0.0825 0.0107 927 LYS A N 308 C CA . LYS A 48 ? 0.8992 0.6552 0.9199 -0.0213 0.0893 -0.0127 927 LYS A CA 309 C C . LYS A 48 ? 0.9579 0.7551 0.9684 -0.0240 0.0695 -0.0164 927 LYS A C 310 O O . LYS A 48 ? 0.9287 0.7736 0.9617 -0.0277 0.0470 -0.0059 927 LYS A O 311 C CB . LYS A 48 ? 0.9854 0.6793 0.9641 -0.0538 0.0845 -0.0337 927 LYS A CB 312 C CG . LYS A 48 ? 0.8488 0.5703 0.8228 -0.0836 0.0470 -0.0398 927 LYS A CG 313 C CD . LYS A 48 ? 1.0000 0.6613 0.9267 -0.1196 0.0393 -0.0637 927 LYS A CD 314 C CE . LYS A 48 ? 1.1394 0.8314 1.0498 -0.1452 -0.0024 -0.0724 927 LYS A CE 315 N NZ . LYS A 48 ? 1.4884 1.1235 1.3506 -0.1854 -0.0140 -0.0967 927 LYS A NZ 316 N N . THR A 49 ? 0.9676 0.7420 0.9429 -0.0207 0.0822 -0.0299 928 THR A N 317 C CA . THR A 49 ? 0.9600 0.7587 0.9148 -0.0245 0.0671 -0.0333 928 THR A CA 318 C C . THR A 49 ? 1.0858 0.8660 1.0007 -0.0492 0.0381 -0.0444 928 THR A C 319 O O . THR A 49 ? 1.1239 0.8529 1.0024 -0.0670 0.0382 -0.0600 928 THR A O 320 C CB . THR A 49 ? 1.1182 0.8968 1.0475 -0.0150 0.0939 -0.0427 928 THR A CB 321 O OG1 . THR A 49 ? 1.2536 1.0517 1.1612 -0.0198 0.0801 -0.0430 928 THR A OG1 322 C CG2 . THR A 49 ? 1.1135 0.8163 0.9863 -0.0237 0.1153 -0.0637 928 THR A CG2 323 N N . ASN A 50 ? 1.0842 0.9061 1.0060 -0.0499 0.0128 -0.0358 929 ASN A N 324 C CA . ASN A 50 ? 1.1359 0.9598 1.0321 -0.0670 -0.0209 -0.0396 929 ASN A CA 325 C C . ASN A 50 ? 1.3156 1.0788 1.1325 -0.0814 -0.0232 -0.0596 929 ASN A C 326 O O . ASN A 50 ? 1.3471 1.0933 1.1373 -0.1039 -0.0486 -0.0690 929 ASN A O 327 C CB . ASN A 50 ? 1.1161 0.9870 1.0284 -0.0537 -0.0361 -0.0244 929 ASN A CB 328 C CG . ASN A 50 ? 1.2939 1.2027 1.2296 -0.0609 -0.0702 -0.0154 929 ASN A CG 329 O OD1 . ASN A 50 ? 0.9992 0.9394 0.9865 -0.0667 -0.0753 -0.0081 929 ASN A OD1 330 N ND2 . ASN A 50 ? 1.1973 1.1062 1.0984 -0.0588 -0.0928 -0.0132 929 ASN A ND2 331 N N . ILE A 51 ? 1.3555 1.0870 1.1342 -0.0709 0.0040 -0.0661 930 ILE A N 332 C CA . ILE A 51 ? 1.4604 1.1264 1.1541 -0.0808 0.0129 -0.0840 930 ILE A CA 333 C C . ILE A 51 ? 1.5781 1.2046 1.2631 -0.0703 0.0630 -0.0942 930 ILE A C 334 O O . ILE A 51 ? 1.5298 1.1932 1.2630 -0.0513 0.0852 -0.0832 930 ILE A O 335 C CB . ILE A 51 ? 1.5199 1.1911 1.1738 -0.0757 -0.0020 -0.0766 930 ILE A CB 336 C CG1 . ILE A 51 ? 1.5282 1.2347 1.1885 -0.0819 -0.0511 -0.0655 930 ILE A CG1 337 C CG2 . ILE A 51 ? 1.6420 1.2403 1.2005 -0.0833 0.0151 -0.0923 930 ILE A CG2 338 C CD1 . ILE A 51 ? 1.6051 1.3753 1.3275 -0.0635 -0.0602 -0.0439 930 ILE A CD1 339 N N . PRO A 52 ? 1.6440 1.1966 1.2680 -0.0823 0.0826 -0.1151 931 PRO A N 340 C CA . PRO A 52 ? 1.7368 1.2345 1.2897 -0.1114 0.0577 -0.1333 931 PRO A CA 341 C C . PRO A 52 ? 1.7957 1.3224 1.3958 -0.1270 0.0270 -0.1296 931 PRO A C 342 O O . PRO A 52 ? 1.7376 1.2980 1.4110 -0.1138 0.0405 -0.1176 931 PRO A O 343 C CB . PRO A 52 ? 1.8503 1.2590 1.3380 -0.1145 0.1031 -0.1563 931 PRO A CB 344 C CG . PRO A 52 ? 1.8536 1.2867 1.4127 -0.0839 0.1489 -0.1458 931 PRO A CG 345 C CD . PRO A 52 ? 1.6924 1.2100 1.3154 -0.0669 0.1359 -0.1228 931 PRO A CD 346 N N . ALA A 53 ? 1.8098 1.3280 1.3698 -0.1561 -0.0157 -0.1381 932 ALA A N 347 C CA . ALA A 53 ? 1.7963 1.3476 1.4041 -0.1779 -0.0462 -0.1357 932 ALA A CA 348 C C . ALA A 53 ? 1.9036 1.3952 1.5068 -0.1930 -0.0177 -0.1519 932 ALA A C 349 O O . ALA A 53 ? 1.8677 1.3888 1.5316 -0.2023 -0.0249 -0.1442 932 ALA A O 350 C CB . ALA A 53 ? 1.8573 1.4193 1.4251 -0.2073 -0.1004 -0.1414 932 ALA A CB 351 N N . ASN A 54 ? 1.9408 1.3429 1.4700 -0.1935 0.0202 -0.1732 933 ASN A N 352 C CA . ASN A 54 ? 2.0068 1.3271 1.5106 -0.2037 0.0572 -0.1915 933 ASN A CA 353 C C . ASN A 54 ? 1.9694 1.2972 1.5426 -0.1666 0.1040 -0.1750 933 ASN A C 354 O O . ASN A 54 ? 2.0373 1.2924 1.5914 -0.1683 0.1393 -0.1865 933 ASN A O 355 C CB . ASN A 54 ? 2.1551 1.3705 1.5424 -0.2172 0.0817 -0.2214 933 ASN A CB 356 C CG . ASN A 54 ? 2.6047 1.7946 1.9067 -0.2605 0.0329 -0.2408 933 ASN A CG 357 O OD1 . ASN A 54 ? 2.5530 1.7895 1.8412 -0.2588 -0.0035 -0.2308 933 ASN A OD1 358 N ND2 . ASN A 54 ? 2.5903 1.7024 1.8291 -0.3009 0.0303 -0.2684 933 ASN A ND2 359 N N . THR A 55 ? 1.7767 1.1874 1.4250 -0.1334 0.1040 -0.1480 934 THR A N 360 C CA . THR A 55 ? 1.7005 1.1311 1.4149 -0.0968 0.1401 -0.1289 934 THR A CA 361 C C . THR A 55 ? 1.7002 1.1181 1.4533 -0.1012 0.1451 -0.1206 934 THR A C 362 O O . THR A 55 ? 1.6761 1.1305 1.4561 -0.1234 0.1116 -0.1145 934 THR A O 363 C CB . THR A 55 ? 1.6793 1.1993 1.4531 -0.0692 0.1322 -0.1054 934 THR A CB 364 O OG1 . THR A 55 ? 1.7522 1.2544 1.4832 -0.0614 0.1503 -0.1154 934 THR A OG1 365 C CG2 . THR A 55 ? 1.5614 1.1233 1.4127 -0.0354 0.1538 -0.0808 934 THR A CG2 366 N N . LYS A 56 ? 1.6379 1.0014 1.3938 -0.0785 0.1905 -0.1191 935 LYS A N 367 C CA . LYS A 56 ? 1.6111 0.9473 1.3971 -0.0755 0.2052 -0.1077 935 LYS A CA 368 C C . LYS A 56 ? 1.4505 0.8776 1.3230 -0.0466 0.1940 -0.0717 935 LYS A C 369 O O . LYS A 56 ? 1.3912 0.8789 1.2996 -0.0163 0.1960 -0.0568 935 LYS A O 370 C CB . LYS A 56 ? 1.7351 0.9746 1.4896 -0.0536 0.2617 -0.1156 935 LYS A CB 371 C CG . LYS A 56 ? 1.8848 1.1394 1.6555 -0.0087 0.2972 -0.1085 935 LYS A CG 372 C CD . LYS A 56 ? 2.0163 1.1834 1.7718 0.0223 0.3577 -0.1104 935 LYS A CD 373 C CE . LYS A 56 ? 1.8331 1.0380 1.6272 0.0684 0.3915 -0.0989 935 LYS A CE 374 N NZ . LYS A 56 ? 1.8231 0.9616 1.6260 0.1100 0.4508 -0.0915 935 LYS A NZ 375 N N . TYR A 57 ? 1.2974 0.7329 1.1987 -0.0601 0.1819 -0.0589 936 TYR A N 376 C CA . TYR A 57 ? 1.1608 0.6709 1.1291 -0.0360 0.1724 -0.0259 936 TYR A CA 377 C C . TYR A 57 ? 1.2167 0.7135 1.2118 0.0100 0.2070 -0.0029 936 TYR A C 378 O O . TYR A 57 ? 1.2886 0.7028 1.2583 0.0193 0.2424 -0.0075 936 TYR A O 379 C CB . TYR A 57 ? 1.1323 0.6475 1.1198 -0.0639 0.1568 -0.0178 936 TYR A CB 380 C CG . TYR A 57 ? 1.0611 0.6353 1.0597 -0.0975 0.1156 -0.0251 936 TYR A CG 381 C CD1 . TYR A 57 ? 0.9913 0.6537 1.0338 -0.0834 0.0938 -0.0062 936 TYR A CD1 382 C CD2 . TYR A 57 ? 1.1058 0.6480 1.0750 -0.1439 0.0991 -0.0488 936 TYR A CD2 383 C CE1 . TYR A 57 ? 0.9548 0.6710 1.0138 -0.1081 0.0603 -0.0096 936 TYR A CE1 384 C CE2 . TYR A 57 ? 1.0642 0.6715 1.0557 -0.1708 0.0593 -0.0513 936 TYR A CE2 385 C CZ . TYR A 57 ? 1.0860 0.7796 1.1245 -0.1496 0.0422 -0.0304 936 TYR A CZ 386 O OH . TYR A 57 ? 1.1324 0.8879 1.1961 -0.1704 0.0072 -0.0308 936 TYR A OH 387 N N . LYS A 58 ? 1.0899 0.6678 1.1352 0.0391 0.1958 0.0227 937 LYS A N 388 C CA . LYS A 58 ? 1.0770 0.6678 1.1600 0.0837 0.2159 0.0522 937 LYS A CA 389 C C . LYS A 58 ? 1.0921 0.7100 1.1979 0.0801 0.1991 0.0770 937 LYS A C 390 O O . LYS A 58 ? 1.0647 0.7264 1.1747 0.0534 0.1705 0.0730 937 LYS A O 391 C CB . LYS A 58 ? 1.0412 0.7105 1.1612 0.1111 0.2097 0.0617 937 LYS A CB 392 C CG . LYS A 58 ? 1.1941 0.8367 1.3206 0.1432 0.2467 0.0596 937 LYS A CG 393 C CD . LYS A 58 ? 1.2040 0.9314 1.3760 0.1645 0.2414 0.0683 937 LYS A CD 394 C CE . LYS A 58 ? 1.3338 1.0288 1.5059 0.1863 0.2830 0.0572 937 LYS A CE 395 N NZ . LYS A 58 ? 1.5446 1.1920 1.7355 0.2271 0.3197 0.0760 937 LYS A NZ 396 N N . ASN A 59 ? 1.0720 0.6580 1.1883 0.1069 0.2192 0.1031 938 ASN A N 397 C CA . ASN A 59 ? 1.0600 0.6641 1.1888 0.1036 0.2074 0.1285 938 ASN A CA 398 C C . ASN A 59 ? 1.1351 0.7482 1.2848 0.1486 0.2167 0.1684 938 ASN A C 399 O O . ASN A 59 ? 1.1618 0.7505 1.3200 0.1859 0.2391 0.1790 938 ASN A O 400 C CB . ASN A 59 ? 1.1261 0.6746 1.2301 0.0603 0.2109 0.1160 938 ASN A CB 401 C CG . ASN A 59 ? 1.4756 0.9161 1.5455 0.0545 0.2459 0.1075 938 ASN A CG 402 O OD1 . ASN A 59 ? 1.4674 0.8615 1.5354 0.0921 0.2741 0.1297 938 ASN A OD1 403 N ND2 . ASN A 59 ? 1.3917 0.7893 1.4334 0.0057 0.2434 0.0770 938 ASN A ND2 404 N N . ALA A 60 ? 1.0793 0.7308 1.2367 0.1471 0.1989 0.1920 939 ALA A N 405 C CA . ALA A 60 ? 1.0936 0.7612 1.2620 0.1875 0.1989 0.2328 939 ALA A CA 406 C C . ALA A 60 ? 1.1847 0.8281 1.3325 0.1749 0.2003 0.2541 939 ALA A C 407 O O . ALA A 60 ? 1.1848 0.8417 1.3269 0.1359 0.1907 0.2388 939 ALA A O 408 C CB . ALA A 60 ? 1.0250 0.7921 1.2224 0.2047 0.1685 0.2413 939 ALA A CB 409 N N . ASN A 61 ? 1.1800 0.7894 1.3178 0.2097 0.2136 0.2915 940 ASN A N 410 C CA . ASN A 61 ? 1.2171 0.7964 1.3275 0.2021 0.2197 0.3174 940 ASN A CA 411 C C . ASN A 61 ? 1.2080 0.8618 1.3174 0.2207 0.1898 0.3445 940 ASN A C 412 O O . ASN A 61 ? 1.1740 0.8828 1.3033 0.2559 0.1699 0.3592 940 ASN A O 413 C CB . ASN A 61 ? 1.4132 0.8942 1.4983 0.2283 0.2548 0.3449 940 ASN A CB 414 C CG . ASN A 61 ? 2.0228 1.4078 2.0915 0.2004 0.2894 0.3183 940 ASN A CG 415 O OD1 . ASN A 61 ? 1.9363 1.3223 2.0061 0.1495 0.2861 0.2829 940 ASN A OD1 416 N ND2 . ASN A 61 ? 2.1620 1.4604 2.2131 0.2340 0.3227 0.3363 940 ASN A ND2 417 N N . ALA A 62 ? 1.1456 0.8007 1.2311 0.1952 0.1882 0.3510 941 ALA A N 418 C CA . ALA A 62 ? 1.1087 0.8191 1.1755 0.2049 0.1639 0.3734 941 ALA A CA 419 C C . ALA A 62 ? 1.2041 0.8596 1.2268 0.1992 0.1843 0.4011 941 ALA A C 420 O O . ALA A 62 ? 1.2352 0.8347 1.2541 0.1690 0.2133 0.3910 941 ALA A O 421 C CB . ALA A 62 ? 1.0302 0.8119 1.1111 0.1744 0.1414 0.3432 941 ALA A CB 422 N N . THR A 63 ? 1.2040 0.8747 1.1910 0.2251 0.1696 0.4361 942 THR A N 423 C CA . THR A 63 ? 1.2904 0.9035 1.2227 0.2217 0.1914 0.4666 942 THR A CA 424 C C . THR A 63 ? 1.3414 1.0011 1.2436 0.2017 0.1773 0.4641 942 THR A C 425 O O . THR A 63 ? 1.4190 1.0395 1.2670 0.1994 0.1937 0.4897 942 THR A O 426 C CB . THR A 63 ? 1.4603 1.0228 1.3577 0.2699 0.1953 0.5148 942 THR A CB 427 O OG1 . THR A 63 ? 1.4409 1.0768 1.3438 0.3054 0.1524 0.5312 942 THR A OG1 428 C CG2 . THR A 63 ? 1.4532 0.9401 1.3706 0.2853 0.2259 0.5163 942 THR A CG2 429 N N . THR A 64 ? 1.2022 0.9378 1.1342 0.1870 0.1511 0.4326 943 THR A N 430 C CA . THR A 64 ? 1.1688 0.9461 1.0732 0.1677 0.1401 0.4236 943 THR A CA 431 C C . THR A 64 ? 1.1185 0.9234 1.0670 0.1319 0.1486 0.3828 943 THR A C 432 O O . THR A 64 ? 1.0713 0.8716 1.0673 0.1232 0.1537 0.3620 943 THR A O 433 C CB . THR A 64 ? 1.2586 1.0984 1.1452 0.1874 0.0970 0.4298 943 THR A CB 434 O OG1 . THR A 64 ? 1.2508 1.1400 1.1959 0.1934 0.0762 0.4071 943 THR A OG1 435 C CG2 . THR A 64 ? 1.3042 1.1247 1.1423 0.2225 0.0831 0.4747 943 THR A CG2 436 N N . LEU A 65 ? 1.0502 0.8805 0.9791 0.1130 0.1508 0.3725 944 LEU A N 437 C CA . LEU A 65 ? 0.9767 0.8383 0.9474 0.0850 0.1576 0.3390 944 LEU A CA 438 C C . LEU A 65 ? 0.9741 0.8937 0.9689 0.0861 0.1261 0.3118 944 LEU A C 439 O O . LEU A 65 ? 0.9126 0.8615 0.9159 0.0707 0.1262 0.2910 944 LEU A O 440 C CB . LEU A 65 ? 0.9950 0.8509 0.9386 0.0687 0.1830 0.3423 944 LEU A CB 441 C CG . LEU A 65 ? 1.1162 0.9177 1.0488 0.0578 0.2232 0.3634 944 LEU A CG 442 C CD1 . LEU A 65 ? 1.1503 0.9504 1.0494 0.0465 0.2503 0.3681 944 LEU A CD1 443 C CD2 . LEU A 65 ? 1.0839 0.8789 1.0841 0.0333 0.2403 0.3470 944 LEU A CD2 444 N N . SER A 66 ? 0.9498 0.8829 0.9570 0.1059 0.1030 0.3138 945 SER A N 445 C CA . SER A 66 ? 0.8970 0.8796 0.9297 0.1072 0.0769 0.2908 945 SER A CA 446 C C . SER A 66 ? 0.9320 0.9158 0.9940 0.1289 0.0673 0.2957 945 SER A C 447 O O . SER A 66 ? 0.9978 0.9512 1.0497 0.1514 0.0728 0.3233 945 SER A O 448 C CB . SER A 66 ? 0.9742 0.9947 0.9697 0.1080 0.0543 0.2909 945 SER A CB 449 O OG . SER A 66 ? 1.2875 1.3124 1.2537 0.1303 0.0362 0.3195 945 SER A OG 450 N N . TYR A 67 ? 0.8144 0.8294 0.9104 0.1244 0.0564 0.2702 946 TYR A N 451 C CA . TYR A 67 ? 0.8132 0.8344 0.9415 0.1446 0.0522 0.2701 946 TYR A CA 452 C C . TYR A 67 ? 0.8331 0.9097 0.9820 0.1392 0.0330 0.2480 946 TYR A C 453 O O . TYR A 67 ? 0.7768 0.8644 0.9240 0.1158 0.0316 0.2225 946 TYR A O 454 C CB . TYR A 67 ? 0.8402 0.8071 0.9879 0.1412 0.0769 0.2602 946 TYR A CB 455 C CG . TYR A 67 ? 0.8742 0.8359 1.0480 0.1679 0.0809 0.2635 946 TYR A CG 456 C CD1 . TYR A 67 ? 0.9608 0.9021 1.1336 0.2026 0.0868 0.2964 946 TYR A CD1 457 C CD2 . TYR A 67 ? 0.8520 0.8307 1.0502 0.1621 0.0805 0.2363 946 TYR A CD2 458 C CE1 . TYR A 67 ? 1.0107 0.9535 1.2149 0.2333 0.0936 0.3021 946 TYR A CE1 459 C CE2 . TYR A 67 ? 0.8920 0.8697 1.1168 0.1890 0.0896 0.2397 946 TYR A CE2 460 C CZ . TYR A 67 ? 1.0947 1.0567 1.3267 0.2258 0.0969 0.2727 946 TYR A CZ 461 O OH . TYR A 67 ? 1.2052 1.1660 1.4699 0.2580 0.1110 0.2788 946 TYR A OH 462 N N . LEU A 68 ? 0.7919 0.9045 0.9630 0.1625 0.0193 0.2603 947 LEU A N 463 C CA . LEU A 68 ? 0.7151 0.8839 0.9120 0.1572 0.0037 0.2428 947 LEU A CA 464 C C . LEU A 68 ? 0.6960 0.8512 0.9302 0.1643 0.0221 0.2270 947 LEU A C 465 O O . LEU A 68 ? 0.6564 0.8091 0.9191 0.1931 0.0307 0.2430 947 LEU A O 466 C CB . LEU A 68 ? 0.7169 0.9443 0.9230 0.1748 -0.0234 0.2660 947 LEU A CB 467 C CG . LEU A 68 ? 0.7228 1.0136 0.9445 0.1569 -0.0436 0.2478 947 LEU A CG 468 C CD1 . LEU A 68 ? 0.7078 0.9946 0.8781 0.1256 -0.0531 0.2325 947 LEU A CD1 469 C CD2 . LEU A 68 ? 0.7436 1.1025 0.9967 0.1767 -0.0706 0.2716 947 LEU A CD2 470 N N . VAL A 69 ? 0.6559 0.7958 0.8845 0.1398 0.0303 0.1966 948 VAL A N 471 C CA . VAL A 69 ? 0.6305 0.7485 0.8792 0.1423 0.0491 0.1783 948 VAL A CA 472 C C . VAL A 69 ? 0.6734 0.8484 0.9525 0.1456 0.0424 0.1710 948 VAL A C 473 O O . VAL A 69 ? 0.6316 0.8371 0.9007 0.1239 0.0295 0.1562 948 VAL A O 474 C CB . VAL A 69 ? 0.6364 0.7102 0.8621 0.1163 0.0589 0.1518 948 VAL A CB 475 C CG1 . VAL A 69 ? 0.6528 0.6907 0.8853 0.1208 0.0800 0.1356 948 VAL A CG1 476 C CG2 . VAL A 69 ? 0.6485 0.6817 0.8542 0.1060 0.0633 0.1585 948 VAL A CG2 477 N N . THR A 70 ? 0.6616 0.8496 0.9802 0.1738 0.0543 0.1828 949 THR A N 478 C CA . THR A 70 ? 0.6434 0.8935 1.0066 0.1798 0.0530 0.1795 949 THR A CA 479 C C . THR A 70 ? 0.7123 0.9286 1.0881 0.1845 0.0867 0.1599 949 THR A C 480 O O . THR A 70 ? 0.7503 0.8920 1.0941 0.1823 0.1071 0.1487 949 THR A O 481 C CB . THR A 70 ? 0.7243 1.0374 1.1331 0.2113 0.0362 0.2135 949 THR A CB 482 O OG1 . THR A 70 ? 0.9001 1.1722 1.3229 0.2485 0.0572 0.2346 949 THR A OG1 483 C CG2 . THR A 70 ? 0.5413 0.8841 0.9225 0.2022 0.0010 0.2306 949 THR A CG2 484 N N . GLY A 71 ? 0.6333 0.9034 1.0516 0.1868 0.0929 0.1544 950 GLY A N 485 C CA . GLY A 71 ? 0.6339 0.8789 1.0650 0.1923 0.1294 0.1368 950 GLY A CA 486 C C . GLY A 71 ? 0.6673 0.8502 1.0396 0.1613 0.1416 0.1046 950 GLY A C 487 O O . GLY A 71 ? 0.6860 0.8190 1.0452 0.1659 0.1746 0.0893 950 GLY A O 488 N N . LEU A 72 ? 0.5797 0.7622 0.9120 0.1311 0.1159 0.0949 951 LEU A N 489 C CA . LEU A 72 ? 0.5643 0.6941 0.8405 0.1042 0.1206 0.0688 951 LEU A CA 490 C C . LEU A 72 ? 0.5946 0.7416 0.8722 0.0901 0.1355 0.0518 951 LEU A C 491 O O . LEU A 72 ? 0.5390 0.7504 0.8658 0.0940 0.1364 0.0592 951 LEU A O 492 C CB . LEU A 72 ? 0.5320 0.6596 0.7748 0.0844 0.0923 0.0688 951 LEU A CB 493 C CG . LEU A 72 ? 0.6080 0.7127 0.8445 0.0927 0.0824 0.0843 951 LEU A CG 494 C CD1 . LEU A 72 ? 0.5584 0.6787 0.7747 0.0770 0.0587 0.0881 951 LEU A CD1 495 C CD2 . LEU A 72 ? 0.7106 0.7437 0.9189 0.0897 0.0977 0.0732 951 LEU A CD2 496 N N . LYS A 73 ? 0.5741 0.6641 0.7980 0.0730 0.1476 0.0300 952 LYS A N 497 C CA . LYS A 73 ? 0.5697 0.6631 0.7835 0.0585 0.1662 0.0148 952 LYS A CA 498 C C . LYS A 73 ? 0.5990 0.7145 0.7922 0.0341 0.1430 0.0116 952 LYS A C 499 O O . LYS A 73 ? 0.5618 0.6577 0.7220 0.0271 0.1194 0.0129 952 LYS A O 500 C CB . LYS A 73 ? 0.6457 0.6602 0.7966 0.0508 0.1887 -0.0055 952 LYS A CB 501 C CG . LYS A 73 ? 0.8815 0.8606 1.0400 0.0706 0.2255 -0.0094 952 LYS A CG 502 C CD . LYS A 73 ? 1.0435 0.9326 1.1181 0.0566 0.2446 -0.0331 952 LYS A CD 503 C CE . LYS A 73 ? 1.1945 1.0668 1.2357 0.0428 0.2713 -0.0475 952 LYS A CE 504 N NZ . LYS A 73 ? 1.3019 1.1831 1.3087 0.0192 0.2449 -0.0496 952 LYS A NZ 505 N N . PRO A 74 ? 0.5414 0.6938 0.7526 0.0198 0.1528 0.0067 953 PRO A N 506 C CA . PRO A 74 ? 0.5335 0.6894 0.7131 -0.0053 0.1359 0.0012 953 PRO A CA 507 C C . PRO A 74 ? 0.6335 0.7174 0.7368 -0.0164 0.1373 -0.0113 953 PRO A C 508 O O . PRO A 74 ? 0.6542 0.6890 0.7251 -0.0127 0.1555 -0.0203 953 PRO A O 509 C CB . PRO A 74 ? 0.5494 0.7544 0.7667 -0.0218 0.1519 -0.0031 953 PRO A CB 510 C CG . PRO A 74 ? 0.6139 0.8253 0.8688 -0.0056 0.1848 -0.0038 953 PRO A CG 511 C CD . PRO A 74 ? 0.5505 0.7401 0.8123 0.0242 0.1829 0.0055 953 PRO A CD 512 N N . ASN A 75 ? 0.5945 0.6697 0.6658 -0.0280 0.1176 -0.0109 954 ASN A N 513 C CA . ASN A 75 ? 0.6079 0.6226 0.6119 -0.0341 0.1153 -0.0178 954 ASN A CA 514 C C . ASN A 75 ? 0.6701 0.6440 0.6483 -0.0222 0.1094 -0.0190 954 ASN A C 515 O O . ASN A 75 ? 0.6895 0.6126 0.6155 -0.0265 0.1185 -0.0279 954 ASN A O 516 C CB . ASN A 75 ? 0.5378 0.5225 0.5061 -0.0507 0.1404 -0.0290 954 ASN A CB 517 C CG . ASN A 75 ? 0.8383 0.7656 0.7363 -0.0560 0.1356 -0.0311 954 ASN A CG 518 O OD1 . ASN A 75 ? 0.8163 0.7438 0.7035 -0.0559 0.1189 -0.0255 954 ASN A OD1 519 N ND2 . ASN A 75 ? 0.8201 0.6937 0.6653 -0.0594 0.1533 -0.0381 954 ASN A ND2 520 N N . THR A 76 ? 0.5898 0.5826 0.5999 -0.0101 0.0942 -0.0101 955 THR A N 521 C CA . THR A 76 ? 0.5834 0.5410 0.5757 -0.0047 0.0878 -0.0126 955 THR A CA 522 C C . THR A 76 ? 0.6056 0.5778 0.6112 -0.0017 0.0626 -0.0020 955 THR A C 523 O O . THR A 76 ? 0.5759 0.5862 0.6195 0.0043 0.0570 0.0096 955 THR A O 524 C CB . THR A 76 ? 0.6673 0.6203 0.6863 0.0058 0.1087 -0.0146 955 THR A CB 525 O OG1 . THR A 76 ? 0.6978 0.6407 0.7093 0.0039 0.1381 -0.0241 955 THR A OG1 526 C CG2 . THR A 76 ? 0.6468 0.5511 0.6384 0.0055 0.1058 -0.0213 955 THR A CG2 527 N N . LEU A 77 ? 0.6048 0.5482 0.5788 -0.0065 0.0472 -0.0054 956 LEU A N 528 C CA . LEU A 77 ? 0.5761 0.5353 0.5684 -0.0058 0.0255 0.0040 956 LEU A CA 529 C C . LEU A 77 ? 0.6615 0.6097 0.6732 -0.0072 0.0271 0.0032 956 LEU A C 530 O O . LEU A 77 ? 0.7333 0.6412 0.7175 -0.0133 0.0347 -0.0096 956 LEU A O 531 C CB . LEU A 77 ? 0.5825 0.5255 0.5410 -0.0105 0.0059 0.0024 956 LEU A CB 532 C CG . LEU A 77 ? 0.5935 0.5644 0.5818 -0.0094 -0.0149 0.0135 956 LEU A CG 533 C CD1 . LEU A 77 ? 0.5537 0.5584 0.5712 0.0005 -0.0098 0.0262 956 LEU A CD1 534 C CD2 . LEU A 77 ? 0.5700 0.5322 0.5313 -0.0109 -0.0366 0.0139 956 LEU A CD2 535 N N . TYR A 78 ? 0.5666 0.5421 0.6181 -0.0020 0.0242 0.0164 957 TYR A N 536 C CA . TYR A 78 ? 0.5846 0.5465 0.6559 -0.0029 0.0286 0.0199 957 TYR A CA 537 C C . TYR A 78 ? 0.6679 0.6464 0.7590 -0.0119 0.0124 0.0283 957 TYR A C 538 O O . TYR A 78 ? 0.6587 0.6698 0.7609 -0.0086 0.0035 0.0371 957 TYR A O 539 C CB . TYR A 78 ? 0.5739 0.5534 0.6763 0.0139 0.0437 0.0332 957 TYR A CB 540 C CG . TYR A 78 ? 0.6637 0.6334 0.7638 0.0241 0.0636 0.0267 957 TYR A CG 541 C CD1 . TYR A 78 ? 0.7361 0.6623 0.8294 0.0287 0.0830 0.0197 957 TYR A CD1 542 C CD2 . TYR A 78 ? 0.6454 0.6486 0.7524 0.0283 0.0668 0.0272 957 TYR A CD2 543 C CE1 . TYR A 78 ? 0.7063 0.6258 0.8037 0.0416 0.1074 0.0148 957 TYR A CE1 544 C CE2 . TYR A 78 ? 0.6522 0.6562 0.7691 0.0368 0.0882 0.0223 957 TYR A CE2 545 C CZ . TYR A 78 ? 0.7483 0.7117 0.8618 0.0455 0.1097 0.0166 957 TYR A CZ 546 O OH . TYR A 78 ? 0.8325 0.7980 0.9604 0.0568 0.1368 0.0123 957 TYR A OH 547 N N . GLU A 79 ? 0.6369 0.5901 0.7322 -0.0246 0.0122 0.0246 958 GLU A N 548 C CA . GLU A 79 ? 0.6327 0.6013 0.7563 -0.0381 0.0023 0.0321 958 GLU A CA 549 C C . GLU A 79 ? 0.6872 0.6444 0.8319 -0.0311 0.0215 0.0456 958 GLU A C 550 O O . GLU A 79 ? 0.7003 0.6191 0.8323 -0.0245 0.0380 0.0423 958 GLU A O 551 C CB . GLU A 79 ? 0.7008 0.6418 0.8096 -0.0650 -0.0113 0.0163 958 GLU A CB 552 C CG . GLU A 79 ? 0.9087 0.8433 0.9796 -0.0736 -0.0324 0.0017 958 GLU A CG 553 C CD . GLU A 79 ? 1.2507 1.1581 1.3003 -0.1046 -0.0510 -0.0148 958 GLU A CD 554 O OE1 . GLU A 79 ? 1.0165 0.9070 1.0834 -0.1238 -0.0454 -0.0173 958 GLU A OE1 555 O OE2 . GLU A 79 ? 1.3319 1.2304 1.3409 -0.1118 -0.0716 -0.0255 958 GLU A OE2 556 N N . PHE A 80 ? 0.6681 0.6532 0.8420 -0.0309 0.0225 0.0619 959 PHE A N 557 C CA . PHE A 80 ? 0.6831 0.6524 0.8694 -0.0236 0.0410 0.0790 959 PHE A CA 558 C C . PHE A 80 ? 0.7676 0.7406 0.9794 -0.0442 0.0431 0.0853 959 PHE A C 559 O O . PHE A 80 ? 0.7665 0.7793 1.0000 -0.0535 0.0316 0.0855 959 PHE A O 560 C CB . PHE A 80 ? 0.6639 0.6624 0.8519 0.0000 0.0454 0.0972 959 PHE A CB 561 C CG . PHE A 80 ? 0.6657 0.6761 0.8390 0.0157 0.0417 0.0915 959 PHE A CG 562 C CD1 . PHE A 80 ? 0.6753 0.7117 0.8388 0.0138 0.0303 0.0822 959 PHE A CD1 563 C CD2 . PHE A 80 ? 0.7230 0.7198 0.8960 0.0332 0.0522 0.0973 959 PHE A CD2 564 C CE1 . PHE A 80 ? 0.6913 0.7378 0.8429 0.0228 0.0301 0.0765 959 PHE A CE1 565 C CE2 . PHE A 80 ? 0.7458 0.7645 0.9168 0.0448 0.0504 0.0926 959 PHE A CE2 566 C CZ . PHE A 80 ? 0.6957 0.7381 0.8550 0.0364 0.0398 0.0810 959 PHE A CZ 567 N N . SER A 81 ? 0.7588 0.6892 0.9705 -0.0511 0.0604 0.0911 960 SER A N 568 C CA . SER A 81 ? 0.7728 0.6997 1.0098 -0.0743 0.0697 0.0991 960 SER A CA 569 C C . SER A 81 ? 0.8446 0.7223 1.0693 -0.0631 0.0965 0.1180 960 SER A C 570 O O . SER A 81 ? 0.8625 0.7036 1.0627 -0.0410 0.1050 0.1204 960 SER A O 571 C CB . SER A 81 ? 0.8366 0.7533 1.0836 -0.1122 0.0575 0.0781 960 SER A CB 572 O OG . SER A 81 ? 0.9888 0.8639 1.1987 -0.1163 0.0502 0.0564 960 SER A OG 573 N N . VAL A 82 ? 0.7699 0.6513 1.0127 -0.0733 0.1115 0.1351 961 VAL A N 574 C CA . VAL A 82 ? 0.7887 0.6225 1.0147 -0.0615 0.1380 0.1589 961 VAL A CA 575 C C . VAL A 82 ? 0.9026 0.7031 1.1452 -0.0985 0.1567 0.1581 961 VAL A C 576 O O . VAL A 82 ? 0.8772 0.7186 1.1574 -0.1296 0.1479 0.1466 961 VAL A O 577 C CB . VAL A 82 ? 0.7959 0.6604 1.0139 -0.0366 0.1433 0.1853 961 VAL A CB 578 C CG1 . VAL A 82 ? 0.8415 0.6557 1.0264 -0.0107 0.1614 0.2126 961 VAL A CG1 579 C CG2 . VAL A 82 ? 0.7291 0.6486 0.9433 -0.0173 0.1204 0.1791 961 VAL A CG2 580 N N . MET A 83 ? 0.9242 0.6518 1.1412 -0.0941 0.1835 0.1728 962 MET A N 581 C CA . MET A 83 ? 0.9798 0.6594 1.2034 -0.1283 0.2098 0.1771 962 MET A CA 582 C C . MET A 83 ? 1.0921 0.7214 1.2833 -0.1012 0.2392 0.2126 962 MET A C 583 O O . MET A 83 ? 1.1001 0.7321 1.2651 -0.0574 0.2332 0.2301 962 MET A O 584 C CB . MET A 83 ? 1.0722 0.6862 1.2821 -0.1579 0.2137 0.1515 962 MET A CB 585 C CG . MET A 83 ? 1.1837 0.7148 1.3459 -0.1257 0.2318 0.1580 962 MET A CG 586 S SD . MET A 83 ? 1.3451 0.7704 1.4774 -0.1664 0.2518 0.1300 962 MET A SD 587 C CE . MET A 83 ? 1.3945 0.7594 1.5252 -0.1915 0.2908 0.1532 962 MET A CE 588 N N . VAL A 84 ? 1.0962 0.6828 1.2893 -0.1285 0.2697 0.2245 963 VAL A N 589 C CA . VAL A 84 ? 1.1562 0.6800 1.3098 -0.1075 0.3019 0.2605 963 VAL A CA 590 C C . VAL A 84 ? 1.3089 0.7282 1.4410 -0.1322 0.3350 0.2598 963 VAL A C 591 O O . VAL A 84 ? 1.3085 0.7194 1.4676 -0.1828 0.3382 0.2334 963 VAL A O 592 C CB . VAL A 84 ? 1.1842 0.7483 1.3466 -0.1117 0.3160 0.2825 963 VAL A CB 593 C CG1 . VAL A 84 ? 1.1822 0.7709 1.3971 -0.1666 0.3313 0.2684 963 VAL A CG1 594 C CG2 . VAL A 84 ? 1.2576 0.7554 1.3628 -0.0829 0.3444 0.3232 963 VAL A CG2 595 N N . THR A 85 ? 1.3712 0.7105 1.4529 -0.0955 0.3575 0.2889 964 THR A N 596 C CA . THR A 85 ? 1.5055 0.7250 1.5520 -0.1081 0.3966 0.2960 964 THR A CA 597 C C . THR A 85 ? 1.6382 0.8035 1.6400 -0.0784 0.4268 0.3440 964 THR A C 598 O O . THR A 85 ? 1.6067 0.8025 1.5873 -0.0271 0.4110 0.3716 964 THR A O 599 C CB . THR A 85 ? 1.7056 0.8662 1.7264 -0.0796 0.3950 0.2845 964 THR A CB 600 O OG1 . THR A 85 ? 1.6825 0.8967 1.7332 -0.1013 0.3643 0.2426 964 THR A OG1 601 C CG2 . THR A 85 ? 1.8107 0.8338 1.7894 -0.0938 0.4397 0.2874 964 THR A CG2 602 N N . LYS A 86 ? 1.7042 0.7898 1.6891 -0.1135 0.4687 0.3538 965 LYS A N 603 C CA . LYS A 86 ? 1.8089 0.8185 1.7392 -0.0908 0.5052 0.4004 965 LYS A CA 604 C C . LYS A 86 ? 1.9666 0.8420 1.8658 -0.1202 0.5516 0.3992 965 LYS A C 605 O O . LYS A 86 ? 1.9848 0.8366 1.9023 -0.1815 0.5791 0.3864 965 LYS A O 606 C CB . LYS A 86 ? 1.8343 0.8974 1.7754 -0.1110 0.5156 0.4164 965 LYS A CB 607 C CG . LYS A 86 ? 2.2034 1.1909 2.0729 -0.0798 0.5487 0.4683 965 LYS A CG 608 C CD . LYS A 86 ? 2.4028 1.4315 2.2762 -0.1044 0.5683 0.4815 965 LYS A CD 609 C CE . LYS A 86 ? 2.7640 1.6872 2.5970 -0.1320 0.6285 0.5082 965 LYS A CE 610 N NZ . LYS A 86 ? 3.0144 1.8368 2.7534 -0.0782 0.6454 0.5585 965 LYS A NZ 611 N N . GLY A 87 ? 2.0018 0.7952 1.8604 -0.0780 0.5593 0.4090 966 GLY A N 612 C CA . GLY A 87 ? 2.1531 0.8031 1.9714 -0.0966 0.6046 0.4059 966 GLY A CA 613 C C . GLY A 87 ? 2.2359 0.8778 2.0849 -0.1607 0.6013 0.3500 966 GLY A C 614 O O . GLY A 87 ? 2.1482 0.8523 2.0248 -0.1542 0.5649 0.3184 966 GLY A O 615 N N . ARG A 88 ? 2.3141 0.8774 2.1548 -0.2265 0.6396 0.3376 967 ARG A N 616 C CA . ARG A 88 ? 2.3432 0.8859 2.2051 -0.3013 0.6390 0.2849 967 ARG A CA 617 C C . ARG A 88 ? 2.2652 0.9631 2.2078 -0.3439 0.5903 0.2520 967 ARG A C 618 O O . ARG A 88 ? 2.2451 0.9641 2.2072 -0.3830 0.5652 0.2074 967 ARG A O 619 C CB . ARG A 88 ? 2.4935 0.9122 2.3256 -0.3628 0.6948 0.2855 967 ARG A CB 620 C CG . ARG A 88 ? 2.7774 1.0194 2.5216 -0.3236 0.7469 0.3129 967 ARG A CG 621 C CD . ARG A 88 ? 3.0414 1.1482 2.7495 -0.3891 0.8056 0.3111 967 ARG A CD 622 N NE . ARG A 88 ? 3.1311 1.2904 2.8544 -0.3901 0.7928 0.3561 967 ARG A NE 623 C CZ . ARG A 88 ? 3.2340 1.5159 3.0095 -0.4338 0.6644 0.3739 967 ARG A CZ 624 N NH1 . ARG A 88 ? 3.2014 1.3696 2.9602 -0.4879 0.6980 0.3449 967 ARG A NH1 625 N NH2 . ARG A 88 ? 3.1765 1.4096 2.9261 -0.4379 0.7354 0.4102 967 ARG A NH2 626 N N . ARG A 89 ? 2.1377 0.9394 2.1209 -0.3323 0.5777 0.2755 968 ARG A N 627 C CA . ARG A 89 ? 2.0065 0.9575 2.0685 -0.3609 0.5367 0.2536 968 ARG A CA 628 C C . ARG A 89 ? 1.9557 1.0006 2.0324 -0.3108 0.4854 0.2446 968 ARG A C 629 O O . ARG A 89 ? 1.9614 0.9896 1.9993 -0.2451 0.4818 0.2696 968 ARG A O 630 C CB . ARG A 89 ? 1.9463 0.9543 2.0385 -0.3674 0.5550 0.2832 968 ARG A CB 631 C CG . ARG A 89 ? 2.0763 1.0215 2.1770 -0.4326 0.6040 0.2860 968 ARG A CG 632 C CD . ARG A 89 ? 2.0153 1.0277 2.1514 -0.4385 0.6242 0.3128 968 ARG A CD 633 N NE . ARG A 89 ? 1.8707 1.0283 2.1038 -0.4733 0.5924 0.2871 968 ARG A NE 634 C CZ . ARG A 89 ? 1.9041 1.1624 2.1743 -0.4509 0.5859 0.3028 968 ARG A CZ 635 N NH1 . ARG A 89 ? 1.6128 0.8429 1.8248 -0.3982 0.6058 0.3416 968 ARG A NH1 636 N NH2 . ARG A 89 ? 1.7058 1.0911 2.0676 -0.4796 0.5589 0.2804 968 ARG A NH2 637 N N . SER A 90 ? 1.8049 0.9509 1.9398 -0.3434 0.4455 0.2104 969 SER A N 638 C CA . SER A 90 ? 1.6828 0.9212 1.8358 -0.3065 0.3983 0.1987 969 SER A CA 639 C C . SER A 90 ? 1.6283 0.9899 1.8565 -0.3457 0.3642 0.1759 969 SER A C 640 O O . SER A 90 ? 1.6535 1.0258 1.9226 -0.4067 0.3726 0.1621 969 SER A O 641 C CB . SER A 90 ? 1.7553 0.9360 1.8666 -0.2884 0.3863 0.1758 969 SER A CB 642 O OG . SER A 90 ? 1.8510 1.0596 1.9825 -0.3346 0.3572 0.1323 969 SER A OG 643 N N . SER A 91 ? 1.4554 0.9107 1.7044 -0.3098 0.3271 0.1743 970 SER A N 644 C CA . SER A 91 ? 1.3570 0.9295 1.6738 -0.3327 0.2934 0.1576 970 SER A CA 645 C C . SER A 91 ? 1.3854 0.9801 1.6977 -0.3362 0.2513 0.1242 970 SER A C 646 O O . SER A 91 ? 1.4229 0.9447 1.6795 -0.3173 0.2526 0.1150 970 SER A O 647 C CB . SER A 91 ? 1.2999 0.9494 1.6331 -0.2891 0.2881 0.1818 970 SER A CB 648 O OG . SER A 91 ? 1.3266 1.0002 1.6338 -0.2427 0.2588 0.1783 970 SER A OG 649 N N . THR A 92 ? 1.2791 0.9741 1.6481 -0.3565 0.2156 0.1082 971 THR A N 650 C CA . THR A 92 ? 1.2309 0.9527 1.5891 -0.3550 0.1730 0.0804 971 THR A CA 651 C C . THR A 92 ? 1.1730 0.9352 1.5159 -0.2943 0.1597 0.0938 971 THR A C 652 O O . THR A 92 ? 1.1426 0.9074 1.4800 -0.2588 0.1811 0.1217 971 THR A O 653 C CB . THR A 92 ? 1.2289 1.0365 1.6502 -0.4021 0.1372 0.0603 971 THR A CB 654 O OG1 . THR A 92 ? 1.0343 0.9327 1.5293 -0.4010 0.1428 0.0809 971 THR A OG1 655 C CG2 . THR A 92 ? 1.3523 1.1110 1.7725 -0.4685 0.1387 0.0362 971 THR A CG2 656 N N . TRP A 93 ? 1.0812 0.8698 1.4112 -0.2854 0.1251 0.0736 972 TRP A N 657 C CA . TRP A 93 ? 0.9974 0.8237 1.3136 -0.2351 0.1120 0.0825 972 TRP A CA 658 C C . TRP A 93 ? 0.9814 0.9052 1.3528 -0.2289 0.0981 0.0937 972 TRP A C 659 O O . TRP A 93 ? 0.9673 0.9457 1.3897 -0.2617 0.0813 0.0854 972 TRP A O 660 C CB . TRP A 93 ? 0.9624 0.7691 1.2375 -0.2274 0.0880 0.0584 972 TRP A CB 661 C CG . TRP A 93 ? 1.0366 0.7433 1.2557 -0.2226 0.1109 0.0504 972 TRP A CG 662 C CD1 . TRP A 93 ? 1.1520 0.7889 1.3401 -0.2600 0.1148 0.0258 972 TRP A CD1 663 C CD2 . TRP A 93 ? 1.0414 0.7045 1.2296 -0.1767 0.1353 0.0683 972 TRP A CD2 664 N NE1 . TRP A 93 ? 1.2041 0.7495 1.3423 -0.2367 0.1457 0.0274 972 TRP A NE1 665 C CE2 . TRP A 93 ? 1.1718 0.7380 1.3151 -0.1835 0.1571 0.0551 972 TRP A CE2 666 C CE3 . TRP A 93 ? 1.0040 0.7020 1.1979 -0.1310 0.1396 0.0942 972 TRP A CE3 667 C CZ2 . TRP A 93 ? 1.1913 0.7017 1.3048 -0.1403 0.1838 0.0701 972 TRP A CZ2 668 C CZ3 . TRP A 93 ? 1.0514 0.7006 1.2163 -0.0932 0.1600 0.1087 972 TRP A CZ3 669 C CH2 . TRP A 93 ? 1.1392 0.6994 1.2691 -0.0948 0.1821 0.0980 972 TRP A CH2 670 N N . SER A 94 ? 0.8836 0.8276 1.2456 -0.1873 0.1073 0.1138 973 SER A N 671 C CA . SER A 94 ? 0.8145 0.8347 1.2146 -0.1729 0.1029 0.1257 973 SER A CA 672 C C . SER A 94 ? 0.8029 0.8767 1.2165 -0.1696 0.0659 0.1090 973 SER A C 673 O O . SER A 94 ? 0.8174 0.8689 1.2057 -0.1799 0.0432 0.0885 973 SER A O 674 C CB . SER A 94 ? 0.8214 0.8317 1.1853 -0.1311 0.1183 0.1456 973 SER A CB 675 O OG . SER A 94 ? 0.8588 0.8602 1.1842 -0.1051 0.0995 0.1365 973 SER A OG 676 N N . MET A 95 ? 0.6806 0.8163 1.1244 -0.1511 0.0636 0.1195 974 MET A N 677 C CA . MET A 95 ? 0.6228 0.8043 1.0733 -0.1374 0.0342 0.1110 974 MET A CA 678 C C . MET A 95 ? 0.6420 0.7793 1.0270 -0.1139 0.0262 0.1022 974 MET A C 679 O O . MET A 95 ? 0.6494 0.7444 0.9998 -0.0993 0.0456 0.1097 974 MET A O 680 C CB . MET A 95 ? 0.6203 0.8559 1.1030 -0.1134 0.0469 0.1277 974 MET A CB 681 C CG . MET A 95 ? 0.6699 0.8741 1.1136 -0.0879 0.0792 0.1437 974 MET A CG 682 S SD . MET A 95 ? 0.6881 0.9233 1.1224 -0.0520 0.0890 0.1529 974 MET A SD 683 C CE . MET A 95 ? 0.6222 0.8366 1.0016 -0.0350 0.0566 0.1352 974 MET A CE 684 N N . THR A 96 ? 0.5850 0.7337 0.9542 -0.1094 -0.0013 0.0886 975 THR A N 685 C CA . THR A 96 ? 0.5833 0.6940 0.8956 -0.0891 -0.0042 0.0803 975 THR A CA 686 C C . THR A 96 ? 0.5882 0.7213 0.8890 -0.0592 -0.0005 0.0891 975 THR A C 687 O O . THR A 96 ? 0.5753 0.7496 0.8989 -0.0521 -0.0095 0.0932 975 THR A O 688 C CB . THR A 96 ? 0.7584 0.8469 1.0402 -0.1028 -0.0289 0.0590 975 THR A CB 689 O OG1 . THR A 96 ? 0.8732 1.0109 1.1787 -0.1069 -0.0556 0.0580 975 THR A OG1 690 C CG2 . THR A 96 ? 0.7828 0.8257 1.0557 -0.1347 -0.0271 0.0457 975 THR A CG2 691 N N . ALA A 97 ? 0.5208 0.6260 0.7867 -0.0416 0.0131 0.0926 976 ALA A N 692 C CA . ALA A 97 ? 0.4755 0.5912 0.7183 -0.0191 0.0162 0.0966 976 ALA A CA 693 C C . ALA A 97 ? 0.5683 0.6636 0.7762 -0.0151 0.0045 0.0815 976 ALA A C 694 O O . ALA A 97 ? 0.6175 0.6828 0.8136 -0.0235 0.0031 0.0719 976 ALA A O 695 C CB . ALA A 97 ? 0.4798 0.5846 0.7084 -0.0075 0.0345 0.1103 976 ALA A CB 696 N N . HIS A 98 ? 0.4891 0.5940 0.6775 -0.0037 -0.0002 0.0785 977 HIS A N 697 C CA . HIS A 98 ? 0.4693 0.5530 0.6223 -0.0016 -0.0065 0.0650 977 HIS A CA 698 C C . HIS A 98 ? 0.5557 0.6404 0.6876 0.0098 0.0038 0.0671 977 HIS A C 699 O O . HIS A 98 ? 0.5216 0.6208 0.6537 0.0167 0.0104 0.0756 977 HIS A O 700 C CB . HIS A 98 ? 0.4824 0.5693 0.6247 -0.0028 -0.0229 0.0589 977 HIS A CB 701 C CG . HIS A 98 ? 0.5533 0.6410 0.7099 -0.0196 -0.0405 0.0535 977 HIS A CG 702 N ND1 . HIS A 98 ? 0.5759 0.6987 0.7788 -0.0268 -0.0477 0.0626 977 HIS A ND1 703 C CD2 . HIS A 98 ? 0.6033 0.6602 0.7309 -0.0332 -0.0514 0.0386 977 HIS A CD2 704 C CE1 . HIS A 98 ? 0.5903 0.7068 0.7933 -0.0476 -0.0673 0.0524 977 HIS A CE1 705 N NE2 . HIS A 98 ? 0.6154 0.6875 0.7676 -0.0520 -0.0700 0.0372 977 HIS A NE2 706 N N . GLY A 99 ? 0.5473 0.6159 0.6601 0.0098 0.0067 0.0580 978 GLY A N 707 C CA . GLY A 99 ? 0.5355 0.6117 0.6340 0.0144 0.0135 0.0577 978 GLY A CA 708 C C . GLY A 99 ? 0.6165 0.6782 0.6981 0.0115 0.0176 0.0450 978 GLY A C 709 O O . GLY A 99 ? 0.6560 0.7028 0.7433 0.0113 0.0219 0.0404 978 GLY A O 710 N N . ALA A 100 ? 0.5902 0.6500 0.6478 0.0083 0.0207 0.0388 979 ALA A N 711 C CA . ALA A 100 ? 0.5949 0.6411 0.6350 0.0026 0.0302 0.0268 979 ALA A CA 712 C C . ALA A 100 ? 0.6482 0.7238 0.7022 -0.0012 0.0363 0.0280 979 ALA A C 713 O O . ALA A 100 ? 0.6624 0.7487 0.7058 -0.0062 0.0331 0.0306 979 ALA A O 714 C CB . ALA A 100 ? 0.6210 0.6372 0.6194 -0.0016 0.0305 0.0194 979 ALA A CB 715 N N . THR A 101 ? 0.5709 0.6606 0.6494 0.0008 0.0456 0.0261 980 THR A N 716 C CA . THR A 101 ? 0.5283 0.6606 0.6342 -0.0031 0.0480 0.0288 980 THR A CA 717 C C . THR A 101 ? 0.5806 0.7074 0.6608 -0.0228 0.0555 0.0163 980 THR A C 718 O O . THR A 101 ? 0.5862 0.6705 0.6290 -0.0282 0.0654 0.0062 980 THR A O 719 C CB . THR A 101 ? 0.6222 0.7707 0.7667 0.0080 0.0610 0.0307 980 THR A CB 720 O OG1 . THR A 101 ? 0.6320 0.7385 0.7527 0.0056 0.0792 0.0168 980 THR A OG1 721 C CG2 . THR A 101 ? 0.6149 0.7701 0.7870 0.0278 0.0559 0.0462 980 THR A CG2 722 N N . PHE A 102 ? 0.5417 0.7091 0.6381 -0.0353 0.0501 0.0174 981 PHE A N 723 C CA . PHE A 102 ? 0.5662 0.7289 0.6409 -0.0603 0.0591 0.0043 981 PHE A CA 724 C C . PHE A 102 ? 0.6385 0.8003 0.7281 -0.0666 0.0818 -0.0049 981 PHE A C 725 O O . PHE A 102 ? 0.6168 0.7920 0.7410 -0.0501 0.0899 -0.0006 981 PHE A O 726 C CB . PHE A 102 ? 0.5970 0.8107 0.6900 -0.0775 0.0442 0.0065 981 PHE A CB 727 C CG . PHE A 102 ? 0.6246 0.8307 0.6872 -0.0767 0.0269 0.0129 981 PHE A CG 728 C CD1 . PHE A 102 ? 0.6537 0.8061 0.6727 -0.0669 0.0316 0.0128 981 PHE A CD1 729 C CD2 . PHE A 102 ? 0.6304 0.8835 0.7056 -0.0865 0.0069 0.0192 981 PHE A CD2 730 C CE1 . PHE A 102 ? 0.6680 0.8108 0.6590 -0.0654 0.0234 0.0184 981 PHE A CE1 731 C CE2 . PHE A 102 ? 0.6714 0.9078 0.7061 -0.0871 -0.0045 0.0241 981 PHE A CE2 732 C CZ . PHE A 102 ? 0.6632 0.8428 0.6569 -0.0761 0.0073 0.0230 981 PHE A CZ 733 N N . GLU A 103 ? 0.6286 0.7661 0.6867 -0.0907 0.0971 -0.0178 982 GLU A N 734 C CA . GLU A 103 ? 0.6347 0.7713 0.7043 -0.1019 0.1243 -0.0269 982 GLU A CA 735 C C . GLU A 103 ? 0.6379 0.8573 0.7817 -0.1119 0.1229 -0.0241 982 GLU A C 736 O O . GLU A 103 ? 0.6144 0.8828 0.7844 -0.1148 0.0972 -0.0166 982 GLU A O 737 C CB . GLU A 103 ? 0.6984 0.7812 0.7100 -0.1273 0.1431 -0.0396 982 GLU A CB 738 C CG . GLU A 103 ? 0.8677 0.8712 0.8080 -0.1140 0.1456 -0.0392 982 GLU A CG 739 C CD . GLU A 103 ? 1.1489 1.0894 1.0274 -0.1337 0.1695 -0.0480 982 GLU A CD 740 O OE1 . GLU A 103 ? 1.0403 0.9952 0.9300 -0.1637 0.1871 -0.0573 982 GLU A OE1 741 O OE2 . GLU A 103 ? 1.2625 1.1390 1.0816 -0.1194 0.1706 -0.0445 982 GLU A OE2 742 N N . LEU A 104 ? 0.7021 1.0429 0.7130 -0.2080 0.0996 -0.0169 983 LEU A N 743 C CA . LEU A 104 ? 0.7067 1.0847 0.6780 -0.2190 0.0742 0.0304 983 LEU A CA 744 C C . LEU A 104 ? 0.6910 1.0543 0.6810 -0.1920 0.0547 0.0218 983 LEU A C 745 O O . LEU A 104 ? 0.6388 0.9582 0.6709 -0.1597 0.0565 -0.0059 983 LEU A O 746 C CB . LEU A 104 ? 0.7105 1.0908 0.7007 -0.1998 0.0623 0.0922 983 LEU A CB 747 C CG . LEU A 104 ? 0.7702 1.1982 0.7466 -0.1978 0.0364 0.1599 983 LEU A CG 748 C CD1 . LEU A 104 ? 0.8088 1.3018 0.7256 -0.2507 0.0327 0.1892 983 LEU A CD1 749 C CD2 . LEU A 104 ? 0.7917 1.1874 0.8120 -0.1538 0.0339 0.2103 983 LEU A CD2 750 N N . VAL A 105 ? 0.6475 1.0539 0.6060 -0.2099 0.0345 0.0485 984 VAL A N 751 C CA . VAL A 105 ? 0.5933 0.9948 0.5698 -0.1883 0.0169 0.0488 984 VAL A CA 752 C C . VAL A 105 ? 0.6172 0.9824 0.6466 -0.1317 0.0108 0.0713 984 VAL A C 753 O O . VAL A 105 ? 0.6411 1.0023 0.6856 -0.1154 0.0129 0.1076 984 VAL A O 754 C CB . VAL A 105 ? 0.6182 1.0920 0.5645 -0.2197 -0.0082 0.0915 984 VAL A CB 755 C CG1 . VAL A 105 ? 0.6578 1.1471 0.5360 -0.2837 -0.0022 0.0527 984 VAL A CG1 756 C CG2 . VAL A 105 ? 0.6187 1.1512 0.5702 -0.2198 -0.0235 0.1657 984 VAL A CG2 757 N N . PRO A 106 ? 0.5245 0.8566 0.5752 -0.1039 0.0060 0.0521 985 PRO A N 758 C CA . PRO A 106 ? 0.4994 0.7914 0.5816 -0.0570 0.0044 0.0712 985 PRO A CA 759 C C . PRO A 106 ? 0.6025 0.9318 0.6953 -0.0417 0.0006 0.1367 985 PRO A C 760 O O . PRO A 106 ? 0.6417 1.0417 0.7266 -0.0637 -0.0123 0.1700 985 PRO A O 761 C CB . PRO A 106 ? 0.4812 0.7496 0.5690 -0.0415 -0.0016 0.0470 985 PRO A CB 762 C CG . PRO A 106 ? 0.5292 0.8000 0.6018 -0.0730 0.0021 0.0037 985 PRO A CG 763 C CD . PRO A 106 ? 0.5148 0.8364 0.5553 -0.1159 0.0052 0.0141 985 PRO A CD 764 N N . THR A 107 ? 0.5633 0.8487 0.6745 -0.0096 0.0126 0.1588 986 THR A N 765 C CA . THR A 107 ? 0.5820 0.8967 0.7167 0.0146 0.0168 0.2281 986 THR A CA 766 C C . THR A 107 ? 0.6436 0.9074 0.8011 0.0650 0.0338 0.2384 986 THR A C 767 O O . THR A 107 ? 0.6587 0.9194 0.8452 0.0985 0.0507 0.2914 986 THR A O 768 C CB . THR A 107 ? 0.5836 0.8934 0.7185 0.0076 0.0251 0.2609 986 THR A CB 769 O OG1 . THR A 107 ? 0.6482 0.8710 0.7776 0.0146 0.0409 0.2220 986 THR A OG1 770 C CG2 . THR A 107 ? 0.5080 0.8859 0.6121 -0.0450 0.0111 0.2640 986 THR A CG2 771 N N . SER A 108 ? 0.5953 0.8141 0.7379 0.0707 0.0335 0.1884 987 SER A N 772 C CA . SER A 108 ? 0.6162 0.7774 0.7605 0.1101 0.0525 0.1854 987 SER A CA 773 C C . SER A 108 ? 0.6514 0.8280 0.7844 0.1028 0.0393 0.1557 987 SER A C 774 O O . SER A 108 ? 0.6309 0.8295 0.7518 0.0699 0.0190 0.1232 987 SER A O 775 C CB . SER A 108 ? 0.7312 0.7889 0.8505 0.1188 0.0685 0.1524 987 SER A CB 776 O OG . SER A 108 ? 0.9194 0.9288 1.0082 0.1086 0.0581 0.0983 987 SER A OG 777 N N . PRO A 109 ? 0.5894 0.7550 0.7282 0.1331 0.0553 0.1697 988 PRO A N 778 C CA . PRO A 109 ? 0.5485 0.7300 0.6761 0.1227 0.0430 0.1480 988 PRO A CA 779 C C . PRO A 109 ? 0.6478 0.7495 0.7350 0.1221 0.0398 0.0967 988 PRO A C 780 O O . PRO A 109 ? 0.6908 0.7213 0.7551 0.1332 0.0519 0.0805 988 PRO A O 781 C CB . PRO A 109 ? 0.5697 0.7785 0.7243 0.1562 0.0668 0.1915 988 PRO A CB 782 C CG . PRO A 109 ? 0.6580 0.8150 0.8213 0.1948 0.1011 0.2136 988 PRO A CG 783 C CD . PRO A 109 ? 0.6243 0.7591 0.7814 0.1791 0.0918 0.2069 988 PRO A CD 784 N N . PRO A 110 ? 0.5916 0.7012 0.6676 0.1074 0.0236 0.0750 989 PRO A N 785 C CA . PRO A 110 ? 0.6141 0.6577 0.6548 0.1085 0.0163 0.0392 989 PRO A CA 786 C C . PRO A 110 ? 0.7511 0.7385 0.7591 0.1365 0.0434 0.0455 989 PRO A C 787 O O . PRO A 110 ? 0.7807 0.7918 0.8021 0.1581 0.0678 0.0764 989 PRO A O 788 C CB . PRO A 110 ? 0.6089 0.6771 0.6517 0.0939 0.0007 0.0321 989 PRO A CB 789 C CG . PRO A 110 ? 0.6101 0.7474 0.6829 0.0709 -0.0048 0.0458 989 PRO A CG 790 C CD . PRO A 110 ? 0.5622 0.7364 0.6541 0.0851 0.0105 0.0847 989 PRO A CD 791 N N . LYS A 111 ? 0.7689 0.6833 0.7361 0.1336 0.0431 0.0178 990 LYS A N 792 C CA . LYS A 111 ? 0.8200 0.6548 0.7328 0.1505 0.0734 0.0099 990 LYS A CA 793 C C . LYS A 111 ? 0.9178 0.7280 0.7800 0.1484 0.0707 -0.0024 990 LYS A C 794 O O . LYS A 111 ? 0.8617 0.7036 0.7306 0.1310 0.0372 -0.0084 990 LYS A O 795 C CB . LYS A 111 ? 0.8583 0.6246 0.7346 0.1299 0.0648 -0.0209 990 LYS A CB 796 C CG . LYS A 111 ? 0.8588 0.6177 0.7642 0.1324 0.0785 -0.0098 990 LYS A CG 797 C CD . LYS A 111 ? 1.0640 0.7804 0.9474 0.0975 0.0560 -0.0413 990 LYS A CD 798 C CE . LYS A 111 ? 1.3567 0.9618 1.1647 0.0879 0.0785 -0.0668 990 LYS A CE 799 N NZ . LYS A 111 ? 1.5379 1.0830 1.3456 0.1141 0.1296 -0.0491 990 LYS A NZ 800 N N . ASP A 112 ? 0.9747 0.7171 0.7807 0.1657 0.1107 -0.0068 991 ASP A N 801 C CA . ASP A 112 ? 1.0509 0.7484 0.7832 0.1605 0.1185 -0.0214 991 ASP A CA 802 C C . ASP A 112 ? 1.0527 0.8128 0.8047 0.1581 0.1002 -0.0030 991 ASP A C 803 O O . ASP A 112 ? 1.0798 0.8194 0.7810 0.1372 0.0748 -0.0159 991 ASP A O 804 C CB . ASP A 112 ? 1.1504 0.7778 0.8042 0.1239 0.0900 -0.0602 991 ASP A CB 805 C CG . ASP A 112 ? 1.4487 1.0109 1.0813 0.1125 0.1006 -0.0823 991 ASP A CG 806 O OD1 . ASP A 112 ? 1.5339 1.0352 1.1479 0.1372 0.1565 -0.0815 991 ASP A OD1 807 O OD2 . ASP A 112 ? 1.5262 1.0957 1.1644 0.0791 0.0566 -0.0982 991 ASP A OD2 808 N N . VAL A 113 ? 0.9206 0.7561 0.7436 0.1759 0.1128 0.0313 992 VAL A N 809 C CA . VAL A 113 ? 0.8617 0.7545 0.7075 0.1690 0.1012 0.0511 992 VAL A CA 810 C C . VAL A 113 ? 1.0123 0.8678 0.7977 0.1790 0.1347 0.0544 992 VAL A C 811 O O . VAL A 113 ? 1.0778 0.9060 0.8490 0.2067 0.1871 0.0619 992 VAL A O 812 C CB . VAL A 113 ? 0.8278 0.8139 0.7575 0.1749 0.1056 0.0878 992 VAL A CB 813 C CG1 . VAL A 113 ? 0.7982 0.8335 0.7444 0.1571 0.0927 0.1038 992 VAL A CG1 814 C CG2 . VAL A 113 ? 0.7673 0.7867 0.7406 0.1606 0.0779 0.0836 992 VAL A CG2 815 N N . THR A 114 ? 0.9794 0.8278 0.7277 0.1574 0.1085 0.0501 993 THR A N 816 C CA . THR A 114 ? 1.0525 0.8696 0.7335 0.1577 0.1337 0.0554 993 THR A CA 817 C C . THR A 114 ? 1.1037 0.9676 0.8098 0.1406 0.1095 0.0783 993 THR A C 818 O O . THR A 114 ? 1.0694 0.9562 0.8145 0.1232 0.0658 0.0766 993 THR A O 819 C CB . THR A 114 ? 1.2123 0.9416 0.7831 0.1392 0.1243 0.0238 993 THR A CB 820 O OG1 . THR A 114 ? 1.1332 0.8673 0.7058 0.1117 0.0613 0.0158 993 THR A OG1 821 C CG2 . THR A 114 ? 1.3150 0.9744 0.8405 0.1491 0.1584 -0.0044 993 THR A CG2 822 N N . VAL A 115 ? 1.1037 0.9761 0.7877 0.1455 0.1438 0.0998 994 VAL A N 823 C CA . VAL A 115 ? 1.0747 0.9800 0.7719 0.1262 0.1292 0.1248 994 VAL A CA 824 C C . VAL A 115 ? 1.2454 1.0981 0.8436 0.1184 0.1466 0.1277 994 VAL A C 825 O O . VAL A 115 ? 1.3235 1.1488 0.8704 0.1346 0.1995 0.1244 994 VAL A O 826 C CB . VAL A 115 ? 1.0424 1.0340 0.8254 0.1293 0.1515 0.1591 994 VAL A CB 827 C CG1 . VAL A 115 ? 1.0306 1.0442 0.8247 0.0997 0.1326 0.1806 994 VAL A CG1 828 C CG2 . VAL A 115 ? 0.9509 0.9956 0.8138 0.1317 0.1351 0.1586 994 VAL A CG2 829 N N . VAL A 116 ? 1.2014 1.0366 0.7710 0.0939 0.1052 0.1355 995 VAL A N 830 C CA . VAL A 116 ? 1.2827 1.0754 0.7557 0.0788 0.1113 0.1468 995 VAL A CA 831 C C . VAL A 116 ? 1.2905 1.1103 0.7961 0.0614 0.0941 0.1827 995 VAL A C 832 O O . VAL A 116 ? 1.1953 1.0445 0.7817 0.0561 0.0652 0.1882 995 VAL A O 833 C CB . VAL A 116 ? 1.4115 1.1424 0.7933 0.0610 0.0716 0.1266 995 VAL A CB 834 C CG1 . VAL A 116 ? 1.4626 1.1481 0.7902 0.0692 0.0977 0.0872 995 VAL A CG1 835 C CG2 . VAL A 116 ? 1.3492 1.0942 0.7886 0.0513 0.0052 0.1312 995 VAL A CG2 836 N N . SER A 117 ? 1.3377 1.1392 0.7737 0.0492 0.1154 0.2059 996 SER A N 837 C CA . SER A 117 ? 1.3229 1.1357 0.7785 0.0287 0.0995 0.2437 996 SER A CA 838 C C . SER A 117 ? 1.3940 1.1629 0.8104 0.0147 0.0414 0.2525 996 SER A C 839 O O . SER A 117 ? 1.4471 1.1790 0.7771 0.0101 0.0265 0.2399 996 SER A O 840 C CB . SER A 117 ? 1.4017 1.2183 0.8021 0.0205 0.1495 0.2706 996 SER A CB 841 O OG . SER A 117 ? 1.3895 1.2687 0.8780 0.0160 0.1745 0.2948 996 SER A OG 842 N N . LYS A 118 ? 1.3226 1.0954 0.8067 0.0072 0.0087 0.2737 997 LYS A N 843 C CA . LYS A 118 ? 1.3595 1.0988 0.8326 0.0012 -0.0444 0.2958 997 LYS A CA 844 C C . LYS A 118 ? 1.5113 1.2216 0.8839 -0.0179 -0.0467 0.3362 997 LYS A C 845 O O . LYS A 118 ? 1.5361 1.2503 0.8859 -0.0295 -0.0085 0.3577 997 LYS A O 846 C CB . LYS A 118 ? 1.3347 1.0723 0.9086 0.0021 -0.0620 0.3088 997 LYS A CB 847 C CG . LYS A 118 ? 1.3687 1.0792 0.9657 0.0095 -0.1125 0.3315 997 LYS A CG 848 C CD . LYS A 118 ? 1.4585 1.1431 1.1354 0.0096 -0.1128 0.3521 997 LYS A CD 849 C CE . LYS A 118 ? 1.5852 1.2465 1.3063 0.0272 -0.1548 0.3806 997 LYS A CE 850 N NZ . LYS A 118 ? 1.7097 1.3317 1.5194 0.0337 -0.1421 0.3861 997 LYS A NZ 851 N N . GLU A 119 ? 1.5416 1.2304 0.8521 -0.0255 -0.0919 0.3486 998 GLU A N 852 C CA . GLU A 119 ? 1.6766 1.3402 0.8761 -0.0500 -0.1056 0.3904 998 GLU A CA 853 C C . GLU A 119 ? 1.7461 1.3987 0.9756 -0.0571 -0.1040 0.4471 998 GLU A C 854 O O . GLU A 119 ? 1.6926 1.3398 1.0148 -0.0454 -0.1337 0.4710 998 GLU A O 855 C CB . GLU A 119 ? 1.7526 1.4118 0.9086 -0.0612 -0.1715 0.4035 998 GLU A CB 856 C CG . GLU A 119 ? 2.1090 1.7450 1.1032 -0.0975 -0.1795 0.4190 998 GLU A CG 857 C CD . GLU A 119 ? 2.6585 2.2704 1.5475 -0.1085 -0.1269 0.3607 998 GLU A CD 858 O OE1 . GLU A 119 ? 2.6774 2.2867 1.5657 -0.1068 -0.1370 0.3146 998 GLU A OE1 859 O OE2 . GLU A 119 ? 2.7246 2.3167 1.5351 -0.1181 -0.0704 0.3622 998 GLU A OE2 860 N N . GLY A 120 ? 1.7686 1.4137 0.9244 -0.0754 -0.0608 0.4651 999 GLY A N 861 C CA . GLY A 120 ? 1.8030 1.4340 0.9714 -0.0898 -0.0499 0.5193 999 GLY A CA 862 C C . GLY A 120 ? 1.7775 1.4193 1.0668 -0.0840 -0.0256 0.5155 999 GLY A C 863 O O . GLY A 120 ? 1.8138 1.4318 1.1227 -0.0993 -0.0220 0.5604 999 GLY A O 864 N N . LYS A 121 ? 1.6361 1.3103 1.0012 -0.0675 -0.0101 0.4640 1000 LYS A N 865 C CA . LYS A 121 ? 1.5615 1.2522 1.0306 -0.0719 0.0095 0.4535 1000 LYS A CA 866 C C . LYS A 121 ? 1.5497 1.3014 1.0391 -0.0697 0.0560 0.4194 1000 LYS A C 867 O O . LYS A 121 ? 1.4672 1.2444 0.9947 -0.0506 0.0521 0.3784 1000 LYS A O 868 C CB . LYS A 121 ? 1.5272 1.1989 1.0839 -0.0560 -0.0262 0.4338 1000 LYS A CB 869 C CG . LYS A 121 ? 1.7537 1.3688 1.3250 -0.0511 -0.0641 0.4771 1000 LYS A CG 870 C CD . LYS A 121 ? 1.9906 1.5611 1.5882 -0.0739 -0.0467 0.5164 1000 LYS A CD 871 C CE . LYS A 121 ? 2.2835 1.7931 1.9051 -0.0594 -0.0810 0.5654 1000 LYS A CE 872 N NZ . LYS A 121 ? 2.5594 2.0120 2.1804 -0.0834 -0.0632 0.6168 1000 LYS A NZ 873 N N . PRO A 122 ? 1.5485 1.3292 1.0168 -0.0873 0.1019 0.4417 1001 PRO A N 874 C CA . PRO A 122 ? 1.4990 1.3498 1.0002 -0.0785 0.1494 0.4208 1001 PRO A CA 875 C C . PRO A 122 ? 1.4637 1.3680 1.0766 -0.0841 0.1472 0.4028 1001 PRO A C 876 O O . PRO A 122 ? 1.3995 1.3574 1.0483 -0.0640 0.1658 0.3793 1001 PRO A O 877 C CB . PRO A 122 ? 1.5969 1.4693 1.0593 -0.0984 0.1987 0.4597 1001 PRO A CB 878 C CG . PRO A 122 ? 1.7085 1.5288 1.1521 -0.1283 0.1730 0.5010 1001 PRO A CG 879 C CD . PRO A 122 ? 1.6596 1.4153 1.0762 -0.1140 0.1153 0.4931 1001 PRO A CD 880 N N . ARG A 123 ? 1.4281 1.3123 1.0903 -0.1137 0.1256 0.4147 1002 ARG A N 881 C CA . ARG A 123 ? 1.3586 1.2829 1.1084 -0.1340 0.1194 0.3959 1002 ARG A CA 882 C C . ARG A 123 ? 1.3589 1.2627 1.1351 -0.1116 0.0862 0.3521 1002 ARG A C 883 O O . ARG A 123 ? 1.3000 1.2353 1.1346 -0.1281 0.0802 0.3303 1002 ARG A O 884 C CB . ARG A 123 ? 1.4149 1.3054 1.1896 -0.1821 0.1159 0.4189 1002 ARG A CB 885 C CG . ARG A 123 ? 1.5740 1.5058 1.3435 -0.2146 0.1516 0.4623 1002 ARG A CG 886 C CD . ARG A 123 ? 1.7748 1.6911 1.5852 -0.2742 0.1508 0.4768 1002 ARG A CD 887 N NE . ARG A 123 ? 2.0874 2.0821 1.9182 -0.3102 0.1864 0.5156 1002 ARG A NE 888 C CZ . ARG A 123 ? 2.1955 2.2978 2.0959 -0.3390 0.1982 0.5178 1002 ARG A CZ 889 N NH1 . ARG A 123 ? 1.8758 2.0147 1.8217 -0.3392 0.1754 0.4820 1002 ARG A NH1 890 N NH2 . ARG A 123 ? 2.0222 2.2032 1.9500 -0.3706 0.2317 0.5609 1002 ARG A NH2 891 N N . THR A 124 ? 1.3437 1.1996 1.0730 -0.0793 0.0642 0.3414 1003 THR A N 892 C CA . THR A 124 ? 1.2907 1.1284 1.0421 -0.0561 0.0340 0.3051 1003 THR A CA 893 C C . THR A 124 ? 1.2881 1.1538 1.0085 -0.0259 0.0405 0.2828 1003 THR A C 894 O O . THR A 124 ? 1.3284 1.1836 0.9779 -0.0165 0.0547 0.2944 1003 THR A O 895 C CB . THR A 124 ? 1.4497 1.2140 1.1870 -0.0472 -0.0007 0.3174 1003 THR A CB 896 O OG1 . THR A 124 ? 1.5692 1.2904 1.3181 -0.0727 0.0035 0.3490 1003 THR A OG1 897 C CG2 . THR A 124 ? 1.3308 1.0812 1.1176 -0.0297 -0.0255 0.2845 1003 THR A CG2 898 N N . ILE A 125 ? 1.1575 1.0517 0.9245 -0.0144 0.0340 0.2497 1004 ILE A N 899 C CA . ILE A 125 ? 1.1208 1.0301 0.8687 0.0133 0.0399 0.2252 1004 ILE A CA 900 C C . ILE A 125 ? 1.1104 0.9956 0.8795 0.0247 0.0044 0.1955 1004 ILE A C 901 O O . ILE A 125 ? 1.0794 0.9571 0.8994 0.0141 -0.0129 0.1879 1004 ILE A O 902 C CB . ILE A 125 ? 1.1146 1.0945 0.9021 0.0210 0.0758 0.2239 1004 ILE A CB 903 C CG1 . ILE A 125 ? 1.0347 1.0632 0.9009 0.0052 0.0634 0.2134 1004 ILE A CG1 904 C CG2 . ILE A 125 ? 1.1730 1.1881 0.9490 0.0156 0.1181 0.2572 1004 ILE A CG2 905 C CD1 . ILE A 125 ? 0.8876 0.9148 0.7715 0.0219 0.0469 0.1828 1004 ILE A CD1 906 N N . ILE A 126 ? 1.0573 0.9285 0.7867 0.0437 -0.0009 0.1768 1005 ILE A N 907 C CA . ILE A 126 ? 1.0067 0.8662 0.7591 0.0529 -0.0316 0.1507 1005 ILE A CA 908 C C . ILE A 126 ? 1.0053 0.8900 0.7700 0.0670 -0.0137 0.1248 1005 ILE A C 909 O O . ILE A 126 ? 1.0701 0.9434 0.7827 0.0778 0.0110 0.1203 1005 ILE A O 910 C CB . ILE A 126 ? 1.0803 0.8992 0.7808 0.0535 -0.0661 0.1562 1005 ILE A CB 911 C CG1 . ILE A 126 ? 1.1161 0.9107 0.8058 0.0432 -0.0837 0.1938 1005 ILE A CG1 912 C CG2 . ILE A 126 ? 1.0315 0.8540 0.7780 0.0607 -0.0968 0.1346 1005 ILE A CG2 913 C CD1 . ILE A 126 ? 1.1932 0.9609 0.7949 0.0361 -0.1051 0.2125 1005 ILE A CD1 914 N N . VAL A 127 ? 0.8547 0.7659 0.6832 0.0663 -0.0222 0.1084 1006 VAL A N 915 C CA . VAL A 127 ? 0.8023 0.7372 0.6499 0.0784 -0.0102 0.0901 1006 VAL A CA 916 C C . VAL A 127 ? 0.8857 0.7899 0.7230 0.0830 -0.0372 0.0668 1006 VAL A C 917 O O . VAL A 127 ? 0.8878 0.7824 0.7509 0.0767 -0.0660 0.0637 1006 VAL A O 918 C CB . VAL A 127 ? 0.7733 0.7632 0.6864 0.0677 -0.0043 0.0904 1006 VAL A CB 919 C CG1 . VAL A 127 ? 0.7385 0.7590 0.6684 0.0832 0.0123 0.0866 1006 VAL A CG1 920 C CG2 . VAL A 127 ? 0.7711 0.7973 0.7005 0.0499 0.0113 0.1164 1006 VAL A CG2 921 N N . ASN A 128 ? 0.8789 0.7653 0.6809 0.0934 -0.0249 0.0529 1007 ASN A N 922 C CA . ASN A 128 ? 0.8924 0.7527 0.6810 0.0900 -0.0492 0.0309 1007 ASN A CA 923 C C . ASN A 128 ? 0.9224 0.7879 0.7269 0.1002 -0.0272 0.0164 1007 ASN A C 924 O O . ASN A 128 ? 0.9564 0.8188 0.7451 0.1153 0.0108 0.0233 1007 ASN A O 925 C CB . ASN A 128 ? 0.9947 0.8054 0.6966 0.0801 -0.0604 0.0279 1007 ASN A CB 926 C CG . ASN A 128 ? 1.1932 1.0021 0.8833 0.0689 -0.0920 0.0507 1007 ASN A CG 927 O OD1 . ASN A 128 ? 1.0055 0.8310 0.7465 0.0654 -0.1275 0.0574 1007 ASN A OD1 928 N ND2 . ASN A 128 ? 1.1286 0.9181 0.7567 0.0656 -0.0754 0.0677 1007 ASN A ND2 929 N N . TRP A 129 ? 0.8298 0.7050 0.6722 0.0941 -0.0474 0.0013 1008 TRP A N 930 C CA . TRP A 129 ? 0.8028 0.6822 0.6641 0.1008 -0.0298 -0.0080 1008 TRP A CA 931 C C . TRP A 129 ? 0.8249 0.6930 0.6976 0.0862 -0.0568 -0.0282 1008 TRP A C 932 O O . TRP A 129 ? 0.8190 0.6871 0.6951 0.0735 -0.0898 -0.0312 1008 TRP A O 933 C CB . TRP A 129 ? 0.7232 0.6636 0.6475 0.1048 -0.0174 0.0072 1008 TRP A CB 934 C CG . TRP A 129 ? 0.6834 0.6543 0.6546 0.0884 -0.0407 -0.0002 1008 TRP A CG 935 C CD1 . TRP A 129 ? 0.6893 0.6747 0.6958 0.0796 -0.0501 -0.0153 1008 TRP A CD1 936 C CD2 . TRP A 129 ? 0.6801 0.6581 0.6637 0.0793 -0.0500 0.0055 1008 TRP A CD2 937 N NE1 . TRP A 129 ? 0.6562 0.6561 0.6962 0.0682 -0.0593 -0.0221 1008 TRP A NE1 938 C CE2 . TRP A 129 ? 0.6871 0.6778 0.7141 0.0678 -0.0598 -0.0097 1008 TRP A CE2 939 C CE3 . TRP A 129 ? 0.7142 0.6833 0.6752 0.0790 -0.0464 0.0226 1008 TRP A CE3 940 C CZ2 . TRP A 129 ? 0.6736 0.6579 0.7214 0.0581 -0.0626 -0.0109 1008 TRP A CZ2 941 C CZ3 . TRP A 129 ? 0.7242 0.6933 0.7081 0.0660 -0.0542 0.0254 1008 TRP A CZ3 942 C CH2 . TRP A 129 ? 0.7041 0.6747 0.7301 0.0567 -0.0611 0.0075 1008 TRP A CH2 943 N N . GLN A 130 ? 0.7935 0.6581 0.6797 0.0884 -0.0420 -0.0354 1009 GLN A N 944 C CA . GLN A 130 ? 0.7871 0.6466 0.6904 0.0718 -0.0605 -0.0519 1009 GLN A CA 945 C C . GLN A 130 ? 0.7590 0.6654 0.7244 0.0733 -0.0521 -0.0476 1009 GLN A C 946 O O . GLN A 130 ? 0.7812 0.7116 0.7595 0.0862 -0.0292 -0.0306 1009 GLN A O 947 C CB . GLN A 130 ? 0.8850 0.6761 0.7259 0.0650 -0.0458 -0.0665 1009 GLN A CB 948 C CG . GLN A 130 ? 0.9414 0.6853 0.7077 0.0441 -0.0663 -0.0797 1009 GLN A CG 949 C CD . GLN A 130 ? 1.1721 0.9497 0.9675 0.0172 -0.1174 -0.0818 1009 GLN A CD 950 O OE1 . GLN A 130 ? 1.1405 0.9349 0.9755 0.0007 -0.1314 -0.0896 1009 GLN A OE1 951 N NE2 . GLN A 130 ? 0.9904 0.7833 0.7732 0.0129 -0.1453 -0.0691 1009 GLN A NE2 952 N N . PRO A 131 ? 0.6545 0.5824 0.6604 0.0578 -0.0691 -0.0587 1010 PRO A N 953 C CA . PRO A 131 ? 0.6083 0.5779 0.6590 0.0547 -0.0560 -0.0556 1010 PRO A CA 954 C C . PRO A 131 ? 0.6938 0.6486 0.7288 0.0614 -0.0312 -0.0425 1010 PRO A C 955 O O . PRO A 131 ? 0.7356 0.6345 0.7325 0.0645 -0.0227 -0.0460 1010 PRO A O 956 C CB . PRO A 131 ? 0.6047 0.5914 0.6967 0.0375 -0.0729 -0.0703 1010 PRO A CB 957 C CG . PRO A 131 ? 0.6660 0.6404 0.7533 0.0346 -0.1011 -0.0735 1010 PRO A CG 958 C CD . PRO A 131 ? 0.6705 0.5945 0.6862 0.0396 -0.0998 -0.0703 1010 PRO A CD 959 N N . PRO A 132 ? 0.6419 0.6416 0.7026 0.0611 -0.0183 -0.0257 1011 PRO A N 960 C CA . PRO A 132 ? 0.6677 0.6581 0.7243 0.0711 0.0034 -0.0017 1011 PRO A CA 961 C C . PRO A 132 ? 0.7820 0.7301 0.8337 0.0591 0.0059 -0.0127 1011 PRO A C 962 O O . PRO A 132 ? 0.7946 0.7533 0.8638 0.0372 -0.0108 -0.0341 1011 PRO A O 963 C CB . PRO A 132 ? 0.6394 0.7014 0.7237 0.0607 0.0050 0.0199 1011 PRO A CB 964 C CG . PRO A 132 ? 0.6550 0.7442 0.7525 0.0385 -0.0095 -0.0071 1011 PRO A CG 965 C CD . PRO A 132 ? 0.6150 0.6715 0.7035 0.0477 -0.0217 -0.0262 1011 PRO A CD 966 N N . SER A 133 ? 0.7946 0.6938 0.8280 0.0736 0.0303 0.0043 1012 SER A N 967 C CA . SER A 133 ? 0.8282 0.6769 0.8536 0.0581 0.0378 -0.0024 1012 SER A CA 968 C C . SER A 133 ? 0.8391 0.7459 0.9038 0.0397 0.0345 0.0127 1012 SER A C 969 O O . SER A 133 ? 0.8613 0.7595 0.9347 0.0131 0.0275 -0.0034 1012 SER A O 970 C CB . SER A 133 ? 0.9319 0.7066 0.9317 0.0835 0.0749 0.0175 1012 SER A CB 971 O OG . SER A 133 ? 1.1569 0.8606 1.1029 0.0885 0.0822 -0.0092 1012 SER A OG 972 N N . GLU A 134 ? 0.7378 0.7074 0.8228 0.0492 0.0397 0.0458 1013 GLU A N 973 C CA . GLU A 134 ? 0.6942 0.7205 0.7992 0.0269 0.0384 0.0619 1013 GLU A CA 974 C C . GLU A 134 ? 0.6988 0.7938 0.8122 0.0090 0.0233 0.0442 1013 GLU A C 975 O O . GLU A 134 ? 0.7024 0.8542 0.8144 0.0032 0.0219 0.0687 1013 GLU A O 976 C CB . GLU A 134 ? 0.7227 0.7653 0.8350 0.0420 0.0546 0.1188 1013 GLU A CB 977 C CG . GLU A 134 ? 0.8629 0.8194 0.9686 0.0632 0.0797 0.1357 1013 GLU A CG 978 C CD . GLU A 134 ? 1.3291 1.2925 1.4558 0.0939 0.1015 0.2016 1013 GLU A CD 979 O OE1 . GLU A 134 ? 1.2167 1.2698 1.3659 0.0974 0.0903 0.2426 1013 GLU A OE1 980 O OE2 . GLU A 134 ? 1.5983 1.4758 1.7204 0.1126 0.1303 0.2150 1013 GLU A OE2 981 N N . ALA A 135 ? 0.6159 0.7031 0.7385 -0.0018 0.0126 0.0034 1014 ALA A N 982 C CA . ALA A 135 ? 0.5734 0.7026 0.7072 -0.0159 0.0077 -0.0198 1014 ALA A CA 983 C C . ALA A 135 ? 0.6116 0.7837 0.7477 -0.0448 0.0211 -0.0206 1014 ALA A C 984 O O . ALA A 135 ? 0.6159 0.8217 0.7398 -0.0618 0.0260 -0.0306 1014 ALA A O 985 C CB . ALA A 135 ? 0.5706 0.6790 0.7280 -0.0130 -0.0037 -0.0520 1014 ALA A CB 986 N N . ASN A 136 ? 0.5667 0.7310 0.7110 -0.0554 0.0298 -0.0123 1015 ASN A N 987 C CA . ASN A 136 ? 0.5713 0.7717 0.7109 -0.0850 0.0468 -0.0071 1015 ASN A CA 988 C C . ASN A 136 ? 0.5971 0.8242 0.7507 -0.1042 0.0626 -0.0457 1015 ASN A C 989 O O . ASN A 136 ? 0.6211 0.8790 0.7547 -0.1323 0.0825 -0.0468 1015 ASN A O 990 C CB . ASN A 136 ? 0.5301 0.7658 0.6342 -0.0946 0.0467 0.0356 1015 ASN A CB 991 C CG . ASN A 136 ? 0.6586 0.8695 0.7636 -0.0680 0.0414 0.0821 1015 ASN A CG 992 O OD1 . ASN A 136 ? 0.6443 0.8908 0.7388 -0.0618 0.0346 0.1226 1015 ASN A OD1 993 N ND2 . ASN A 136 ? 0.4812 0.6311 0.6006 -0.0539 0.0468 0.0797 1015 ASN A ND2 994 N N . GLY A 137 ? 0.5455 0.7576 0.7324 -0.0881 0.0572 -0.0745 1016 GLY A N 995 C CA . GLY A 137 ? 0.5526 0.7790 0.7692 -0.0938 0.0783 -0.1091 1016 GLY A CA 996 C C . GLY A 137 ? 0.6100 0.8151 0.8590 -0.0672 0.0633 -0.1237 1016 GLY A C 997 O O . GLY A 137 ? 0.5924 0.7740 0.8322 -0.0494 0.0357 -0.1095 1016 GLY A O 998 N N . LYS A 138 ? 0.5989 0.8079 0.8851 -0.0629 0.0855 -0.1500 1017 LYS A N 999 C CA . LYS A 138 ? 0.5694 0.7595 0.8957 -0.0357 0.0733 -0.1566 1017 LYS A CA 1000 C C . LYS A 138 ? 0.6125 0.7764 0.8866 -0.0358 0.0678 -0.1589 1017 LYS A C 1001 O O . LYS A 138 ? 0.6675 0.8290 0.9010 -0.0586 0.0927 -0.1757 1017 LYS A O 1002 C CB . LYS A 138 ? 0.6183 0.8204 1.0172 -0.0251 0.1072 -0.1768 1017 LYS A CB 1003 C CG . LYS A 138 ? 0.8378 1.0254 1.2949 0.0080 0.0932 -0.1715 1017 LYS A CG 1004 C CD . LYS A 138 ? 0.9690 1.1643 1.5055 0.0252 0.1393 -0.1877 1017 LYS A CD 1005 C CE . LYS A 138 ? 1.0502 1.2787 1.6939 0.0572 0.1176 -0.1605 1017 LYS A CE 1006 N NZ . LYS A 138 ? 0.8970 1.1569 1.6435 0.0764 0.1681 -0.1663 1017 LYS A NZ 1007 N N . ILE A 139 ? 0.5391 0.6843 0.8065 -0.0171 0.0354 -0.1418 1018 ILE A N 1008 C CA . ILE A 139 ? 0.5303 0.6556 0.7556 -0.0168 0.0277 -0.1378 1018 ILE A CA 1009 C C . ILE A 139 ? 0.6322 0.7322 0.8781 -0.0132 0.0480 -0.1595 1018 ILE A C 1010 O O . ILE A 139 ? 0.6410 0.7309 0.9452 0.0111 0.0465 -0.1596 1018 ILE A O 1011 C CB . ILE A 139 ? 0.5433 0.6536 0.7509 0.0018 -0.0045 -0.1131 1018 ILE A CB 1012 C CG1 . ILE A 139 ? 0.5430 0.6610 0.7246 -0.0004 -0.0122 -0.0932 1018 ILE A CG1 1013 C CG2 . ILE A 139 ? 0.5643 0.6626 0.7395 0.0011 -0.0079 -0.1065 1018 ILE A CG2 1014 C CD1 . ILE A 139 ? 0.6538 0.8036 0.8016 -0.0216 0.0015 -0.0792 1018 ILE A CD1 1015 N N . THR A 140 ? 0.6243 0.7144 0.8234 -0.0409 0.0685 -0.1760 1019 THR A N 1016 C CA . THR A 140 ? 0.6672 0.7136 0.8692 -0.0460 0.0978 -0.2031 1019 THR A CA 1017 C C . THR A 140 ? 0.7458 0.7632 0.9235 -0.0461 0.0806 -0.1921 1019 THR A C 1018 O O . THR A 140 ? 0.8231 0.7908 1.0011 -0.0506 0.1037 -0.2112 1019 THR A O 1019 C CB . THR A 140 ? 0.7555 0.7973 0.9100 -0.0878 0.1374 -0.2367 1019 THR A CB 1020 O OG1 . THR A 140 ? 0.7295 0.8044 0.8137 -0.1262 0.1177 -0.2230 1019 THR A OG1 1021 C CG2 . THR A 140 ? 0.7279 0.7923 0.9124 -0.0856 0.1639 -0.2490 1019 THR A CG2 1022 N N . GLY A 141 ? 0.6341 0.6772 0.7909 -0.0417 0.0463 -0.1613 1020 GLY A N 1023 C CA . GLY A 141 ? 0.6378 0.6624 0.7751 -0.0419 0.0320 -0.1463 1020 GLY A CA 1024 C C . GLY A 141 ? 0.6835 0.7495 0.7914 -0.0457 0.0082 -0.1148 1020 GLY A C 1025 O O . GLY A 141 ? 0.6725 0.7747 0.7760 -0.0446 0.0023 -0.1025 1020 GLY A O 1026 N N . TYR A 142 ? 0.6584 0.7171 0.7518 -0.0474 -0.0011 -0.0983 1021 TYR A N 1027 C CA . TYR A 142 ? 0.6567 0.7578 0.7327 -0.0475 -0.0152 -0.0646 1021 TYR A CA 1028 C C . TYR A 142 ? 0.7582 0.8709 0.8133 -0.0822 -0.0136 -0.0583 1021 TYR A C 1029 O O . TYR A 142 ? 0.8121 0.8793 0.8602 -0.1015 -0.0019 -0.0821 1021 TYR A O 1030 C CB . TYR A 142 ? 0.6681 0.7502 0.7506 -0.0089 -0.0275 -0.0444 1021 TYR A CB 1031 C CG . TYR A 142 ? 0.6978 0.7696 0.7929 0.0155 -0.0335 -0.0490 1021 TYR A CG 1032 C CD1 . TYR A 142 ? 0.6985 0.7939 0.7864 0.0230 -0.0324 -0.0343 1021 TYR A CD1 1033 C CD2 . TYR A 142 ? 0.7349 0.7746 0.8545 0.0290 -0.0402 -0.0638 1021 TYR A CD2 1034 C CE1 . TYR A 142 ? 0.6922 0.7690 0.7861 0.0371 -0.0367 -0.0409 1021 TYR A CE1 1035 C CE2 . TYR A 142 ? 0.7432 0.7812 0.8755 0.0417 -0.0500 -0.0662 1021 TYR A CE2 1036 C CZ . TYR A 142 ? 0.7963 0.8476 0.9103 0.0424 -0.0477 -0.0582 1021 TYR A CZ 1037 O OH . TYR A 142 ? 0.8083 0.8492 0.9295 0.0467 -0.0561 -0.0632 1021 TYR A OH 1038 N N . ILE A 143 ? 0.6943 0.8675 0.7444 -0.0911 -0.0227 -0.0239 1022 ILE A N 1039 C CA . ILE A 143 ? 0.7161 0.9179 0.7549 -0.1271 -0.0259 -0.0081 1022 ILE A CA 1040 C C . ILE A 143 ? 0.7338 0.9733 0.7921 -0.0985 -0.0300 0.0357 1022 ILE A C 1041 O O . ILE A 143 ? 0.6987 0.9881 0.7748 -0.0771 -0.0310 0.0655 1022 ILE A O 1042 C CB . ILE A 143 ? 0.7822 1.0399 0.7965 -0.1886 -0.0311 -0.0085 1022 ILE A CB 1043 C CG1 . ILE A 143 ? 0.8296 1.0325 0.8102 -0.2199 -0.0147 -0.0614 1022 ILE A CG1 1044 C CG2 . ILE A 143 ? 0.8137 1.1061 0.8219 -0.2308 -0.0390 0.0125 1022 ILE A CG2 1045 C CD1 . ILE A 143 ? 1.0293 1.2757 0.9637 -0.2884 -0.0182 -0.0694 1022 ILE A CD1 1046 N N . ILE A 144 ? 0.7140 0.9238 0.7694 -0.0968 -0.0269 0.0409 1023 ILE A N 1047 C CA . ILE A 144 ? 0.6900 0.9312 0.7582 -0.0756 -0.0221 0.0800 1023 ILE A CA 1048 C C . ILE A 144 ? 0.7434 1.0619 0.8256 -0.1222 -0.0264 0.1093 1023 ILE A C 1049 O O . ILE A 144 ? 0.7682 1.0750 0.8318 -0.1746 -0.0323 0.0901 1023 ILE A O 1050 C CB . ILE A 144 ? 0.7278 0.8976 0.7791 -0.0525 -0.0170 0.0739 1023 ILE A CB 1051 C CG1 . ILE A 144 ? 0.7169 0.8283 0.7578 -0.0157 -0.0212 0.0511 1023 ILE A CG1 1052 C CG2 . ILE A 144 ? 0.7269 0.9268 0.7814 -0.0359 -0.0039 0.1121 1023 ILE A CG2 1053 C CD1 . ILE A 144 ? 0.7321 0.7825 0.7523 0.0044 -0.0246 0.0519 1023 ILE A CD1 1054 N N . TYR A 145 ? 0.6733 1.0689 0.7901 -0.1044 -0.0208 0.1565 1024 TYR A N 1055 C CA . TYR A 145 ? 0.6796 1.1696 0.8272 -0.1434 -0.0263 0.1979 1024 TYR A CA 1056 C C . TYR A 145 ? 0.7407 1.2491 0.9153 -0.1075 -0.0030 0.2343 1024 TYR A C 1057 O O . TYR A 145 ? 0.7069 1.1975 0.8888 -0.0499 0.0179 0.2434 1024 TYR A O 1058 C CB . TYR A 145 ? 0.6708 1.2668 0.8556 -0.1535 -0.0396 0.2362 1024 TYR A CB 1059 C CG . TYR A 145 ? 0.7030 1.2917 0.8532 -0.1922 -0.0595 0.2055 1024 TYR A CG 1060 C CD1 . TYR A 145 ? 0.7033 1.2458 0.8403 -0.1564 -0.0546 0.1831 1024 TYR A CD1 1061 C CD2 . TYR A 145 ? 0.7517 1.3839 0.8779 -0.2706 -0.0812 0.2005 1024 TYR A CD2 1062 C CE1 . TYR A 145 ? 0.7447 1.2828 0.8475 -0.1929 -0.0669 0.1558 1024 TYR A CE1 1063 C CE2 . TYR A 145 ? 0.7907 1.4137 0.8717 -0.3107 -0.0935 0.1699 1024 TYR A CE2 1064 C CZ . TYR A 145 ? 0.9118 1.4912 0.9839 -0.2691 -0.0847 0.1496 1024 TYR A CZ 1065 O OH . TYR A 145 ? 0.9634 1.5379 0.9885 -0.3110 -0.0918 0.1214 1024 TYR A OH 1066 N N . TYR A 146 ? 0.7496 1.2887 0.9340 -0.1444 -0.0021 0.2535 1025 TYR A N 1067 C CA . TYR A 146 ? 0.7754 1.3448 0.9883 -0.1151 0.0259 0.2926 1025 TYR A CA 1068 C C . TYR A 146 ? 0.8788 1.5656 1.1469 -0.1607 0.0221 0.3431 1025 TYR A C 1069 O O . TYR A 146 ? 0.8999 1.6123 1.1596 -0.2309 -0.0056 0.3357 1025 TYR A O 1070 C CB . TYR A 146 ? 0.8292 1.2927 0.9906 -0.0950 0.0419 0.2675 1025 TYR A CB 1071 C CG . TYR A 146 ? 0.9105 1.3200 1.0402 -0.1477 0.0279 0.2462 1025 TYR A CG 1072 C CD1 . TYR A 146 ? 0.9373 1.2582 1.0276 -0.1614 0.0110 0.1982 1025 TYR A CD1 1073 C CD2 . TYR A 146 ? 0.9673 1.4064 1.1093 -0.1802 0.0380 0.2760 1025 TYR A CD2 1074 C CE1 . TYR A 146 ? 1.0018 1.2569 1.0663 -0.2035 0.0070 0.1799 1025 TYR A CE1 1075 C CE2 . TYR A 146 ? 1.0312 1.4051 1.1420 -0.2293 0.0294 0.2576 1025 TYR A CE2 1076 C CZ . TYR A 146 ? 1.1562 1.4312 1.2274 -0.2375 0.0157 0.2091 1025 TYR A CZ 1077 O OH . TYR A 146 ? 1.2706 1.4652 1.3144 -0.2791 0.0156 0.1917 1025 TYR A OH 1078 N N . SER A 147 ? 0.8524 1.6131 1.1780 -0.1237 0.0525 0.3950 1026 SER A N 1079 C CA . SER A 147 ? 0.8657 1.7604 1.2647 -0.1610 0.0518 0.4550 1026 SER A CA 1080 C C . SER A 147 ? 0.9396 1.8623 1.3786 -0.1131 0.1029 0.4948 1026 SER A C 1081 O O . SER A 147 ? 0.9551 1.8143 1.3742 -0.0440 0.1407 0.4838 1026 SER A O 1082 C CB . SER A 147 ? 0.8877 1.9150 1.3578 -0.1716 0.0284 0.5021 1026 SER A CB 1083 O OG . SER A 147 ? 0.9951 2.1656 1.5354 -0.2285 0.0119 0.5603 1026 SER A OG 1084 N N . THR A 148 ? 0.8849 1.9041 1.3777 -0.1547 0.1069 0.5406 1027 THR A N 1085 C CA . THR A 148 ? 0.8837 1.9544 1.4287 -0.1151 0.1611 0.5871 1027 THR A CA 1086 C C . THR A 148 ? 0.8949 2.1085 1.5573 -0.0714 0.1804 0.6559 1027 THR A C 1087 O O . THR A 148 ? 0.9226 2.1657 1.6351 -0.0099 0.2409 0.6914 1027 THR A O 1088 C CB . THR A 148 ? 0.9205 2.0354 1.4787 -0.1810 0.1586 0.6097 1027 THR A CB 1089 O OG1 . THR A 148 ? 0.8848 2.1222 1.5006 -0.2571 0.1114 0.6417 1027 THR A OG1 1090 C CG2 . THR A 148 ? 0.9208 1.8847 1.3706 -0.2110 0.1496 0.5516 1027 THR A CG2 1091 N N . ASP A 149 ? 0.7793 2.0792 1.4842 -0.1030 0.1320 0.6769 1028 ASP A N 1092 C CA . ASP A 149 ? 0.7399 2.1808 1.5611 -0.0652 0.1384 0.7507 1028 ASP A CA 1093 C C . ASP A 149 ? 0.7526 2.1296 1.5395 -0.0274 0.1236 0.7234 1028 ASP A C 1094 O O . ASP A 149 ? 0.7121 2.0643 1.4428 -0.0809 0.0693 0.6885 1028 ASP A O 1095 C CB . ASP A 149 ? 0.7544 2.3802 1.6634 -0.1442 0.0886 0.8174 1028 ASP A CB 1096 C CG . ASP A 149 ? 0.8914 2.6820 1.9290 -0.1124 0.0814 0.9063 1028 ASP A CG 1097 O OD1 . ASP A 149 ? 0.9132 2.7177 2.0236 -0.0186 0.1416 0.9453 1028 ASP A OD1 1098 O OD2 . ASP A 149 ? 0.9917 2.8978 2.0567 -0.1837 0.0177 0.9402 1028 ASP A OD2 1099 N N . VAL A 150 ? 0.7301 2.0756 1.5488 0.0630 0.1781 0.7389 1029 VAL A N 1100 C CA . VAL A 150 ? 0.7323 2.0110 1.5272 0.1086 0.1770 0.7199 1029 VAL A CA 1101 C C . VAL A 150 ? 0.7810 2.1961 1.6534 0.0856 0.1296 0.7820 1029 VAL A C 1102 O O . VAL A 150 ? 0.7699 2.1346 1.5956 0.0817 0.1008 0.7552 1029 VAL A O 1103 C CB . VAL A 150 ? 0.8217 2.0231 1.6286 0.2063 0.2569 0.7219 1029 VAL A CB 1104 C CG1 . VAL A 150 ? 0.8307 2.1690 1.7802 0.2562 0.3093 0.8143 1029 VAL A CG1 1105 C CG2 . VAL A 150 ? 0.8286 1.9291 1.5916 0.2473 0.2584 0.6900 1029 VAL A CG2 1106 N N . ASN A 151 ? 0.7491 2.3429 1.7390 0.0659 0.1198 0.8684 1030 ASN A N 1107 C CA . ASN A 151 ? 0.7364 2.4854 1.8107 0.0417 0.0719 0.9450 1030 ASN A CA 1108 C C . ASN A 151 ? 0.7899 2.6001 1.8110 -0.0759 -0.0110 0.9302 1030 ASN A C 1109 O O . ASN A 151 ? 0.7808 2.7190 1.8507 -0.1100 -0.0597 0.9904 1030 ASN A O 1110 C CB . ASN A 151 ? 0.7249 2.6511 1.9707 0.0877 0.1050 1.0593 1030 ASN A CB 1111 C CG . ASN A 151 ? 0.9695 2.8194 2.2602 0.2044 0.1996 1.0684 1030 ASN A CG 1112 O OD1 . ASN A 151 ? 0.8768 2.6164 2.1346 0.2668 0.2274 1.0448 1030 ASN A OD1 1113 N ND2 . ASN A 151 ? 0.8646 2.7620 2.2222 0.2314 0.2555 1.0981 1030 ASN A ND2 1114 N N . ALA A 152 ? 0.7485 2.4596 1.6636 -0.1384 -0.0250 0.8507 1031 ALA A N 1115 C CA . ALA A 152 ? 0.7635 2.5014 1.6117 -0.2532 -0.0909 0.8232 1031 ALA A CA 1116 C C . ALA A 152 ? 0.8452 2.5292 1.6128 -0.2776 -0.1293 0.7844 1031 ALA A C 1117 O O . ALA A 152 ? 0.8210 2.3825 1.5441 -0.2135 -0.1028 0.7411 1031 ALA A O 1118 C CB . ALA A 152 ? 0.7937 2.4084 1.5499 -0.2970 -0.0822 0.7460 1031 ALA A CB 1119 N N . GLU A 153 ? 0.8477 2.6266 1.5931 -0.3759 -0.1910 0.8010 1032 GLU A N 1120 C CA . GLU A 153 ? 0.8610 2.5960 1.5176 -0.4143 -0.2267 0.7634 1032 GLU A CA 1121 C C . GLU A 153 ? 0.9125 2.4456 1.4373 -0.4261 -0.2091 0.6462 1032 GLU A C 1122 O O . GLU A 153 ? 0.9198 2.3802 1.4110 -0.4484 -0.1932 0.6018 1032 GLU A O 1123 C CB . GLU A 153 ? 0.9325 2.8142 1.5796 -0.5289 -0.2949 0.8057 1032 GLU A CB 1124 C CG . GLU A 153 ? 1.1402 3.1939 1.8899 -0.5041 -0.3227 0.9157 1032 GLU A CG 1125 C CD . GLU A 153 ? 1.5466 3.3050 2.2423 -0.4518 -0.3129 0.7193 1032 GLU A CD 1126 O OE1 . GLU A 153 ? 1.5915 3.3165 2.2803 -0.4922 -0.3142 0.6719 1032 GLU A OE1 1127 O OE2 . GLU A 153 ? 1.5734 3.3137 2.2822 -0.4110 -0.3266 0.7158 1032 GLU A OE2 1128 N N . ILE A 154 ? 0.8485 2.2931 1.3086 -0.4053 -0.2083 0.6025 1033 ILE A N 1129 C CA . ILE A 154 ? 0.8492 2.1130 1.2056 -0.4019 -0.1875 0.5011 1033 ILE A CA 1130 C C . ILE A 154 ? 0.9745 2.1684 1.2430 -0.4909 -0.1989 0.4345 1033 ILE A C 1131 O O . ILE A 154 ? 0.9879 2.0433 1.2130 -0.4670 -0.1691 0.3709 1033 ILE A O 1132 C CB . ILE A 154 ? 0.8673 2.0680 1.1842 -0.3662 -0.1835 0.4753 1033 ILE A CB 1133 C CG1 . ILE A 154 ? 0.8403 1.8653 1.1001 -0.3164 -0.1468 0.3923 1033 ILE A CG1 1134 C CG2 . ILE A 154 ? 0.9306 2.1799 1.1827 -0.4524 -0.2248 0.4699 1033 ILE A CG2 1135 C CD1 . ILE A 154 ? 0.8482 1.8225 1.1545 -0.2326 -0.1078 0.3988 1033 ILE A CD1 1136 N N . HIS A 155 ? 0.9790 2.2646 1.2214 -0.5939 -0.2405 0.4517 1034 HIS A N 1137 C CA . HIS A 155 ? 1.0617 2.2728 1.2170 -0.6863 -0.2460 0.3886 1034 HIS A CA 1138 C C . HIS A 155 ? 1.0770 2.2672 1.2699 -0.6819 -0.2261 0.3931 1034 HIS A C 1139 O O . HIS A 155 ? 1.1150 2.1780 1.2387 -0.7166 -0.2089 0.3272 1034 HIS A O 1140 C CB . HIS A 155 ? 1.1716 2.4843 1.2775 -0.8090 -0.2960 0.4048 1034 HIS A CB 1141 C CG . HIS A 155 ? 1.2754 2.5447 1.2891 -0.8390 -0.3057 0.3631 1034 HIS A CG 1142 N ND1 . HIS A 155 ? 1.3148 2.7248 1.3405 -0.8701 -0.3485 0.4261 1034 HIS A ND1 1143 C CD2 . HIS A 155 ? 1.3478 2.4536 1.2641 -0.8367 -0.2742 0.2711 1034 HIS A CD2 1144 C CE1 . HIS A 155 ? 1.3586 2.6833 1.2829 -0.8914 -0.3414 0.3670 1034 HIS A CE1 1145 N NE2 . HIS A 155 ? 1.3803 2.5230 1.2402 -0.8706 -0.2945 0.2719 1034 HIS A NE2 1146 N N . ASP A 156 ? 0.9692 2.2780 1.2744 -0.6338 -0.2219 0.4727 1035 ASP A N 1147 C CA . ASP A 156 ? 0.9558 2.2651 1.3070 -0.6250 -0.1987 0.4896 1035 ASP A CA 1148 C C . ASP A 156 ? 0.9701 2.1307 1.3055 -0.5347 -0.1490 0.4459 1035 ASP A C 1149 O O . ASP A 156 ? 0.9994 2.1162 1.3367 -0.5385 -0.1279 0.4396 1035 ASP A O 1150 C CB . ASP A 156 ? 0.9389 2.4428 1.4204 -0.6119 -0.2076 0.5944 1035 ASP A CB 1151 C CG . ASP A 156 ? 1.0789 2.7533 1.5847 -0.7122 -0.2663 0.6504 1035 ASP A CG 1152 O OD1 . ASP A 156 ? 1.1492 2.7801 1.5543 -0.8156 -0.2973 0.5993 1035 ASP A OD1 1153 O OD2 . ASP A 156 ? 1.1340 2.9851 1.7587 -0.6885 -0.2796 0.7471 1035 ASP A OD2 1154 N N . TRP A 157 ? 0.8555 1.9398 1.1707 -0.4607 -0.1330 0.4177 1036 TRP A N 1155 C CA . TRP A 157 ? 0.8094 1.7548 1.0989 -0.3825 -0.0941 0.3747 1036 TRP A CA 1156 C C . TRP A 157 ? 0.9115 1.7119 1.1119 -0.4217 -0.0916 0.2980 1036 TRP A C 1157 O O . TRP A 157 ? 0.9740 1.7592 1.1213 -0.4933 -0.1125 0.2649 1036 TRP A O 1158 C CB . TRP A 157 ? 0.7282 1.6450 1.0225 -0.3071 -0.0834 0.3694 1036 TRP A CB 1159 C CG . TRP A 157 ? 0.6875 1.7034 1.0712 -0.2429 -0.0664 0.4402 1036 TRP A CG 1160 C CD1 . TRP A 157 ? 0.7148 1.8901 1.1795 -0.2594 -0.0841 0.5169 1036 TRP A CD1 1161 C CD2 . TRP A 157 ? 0.6497 1.6083 1.0517 -0.1521 -0.0248 0.4423 1036 TRP A CD2 1162 N NE1 . TRP A 157 ? 0.6740 1.8908 1.2168 -0.1758 -0.0491 0.5687 1036 TRP A NE1 1163 C CE2 . TRP A 157 ? 0.6786 1.7560 1.1760 -0.1118 -0.0099 0.5191 1036 TRP A CE2 1164 C CE3 . TRP A 157 ? 0.6601 1.4796 1.0061 -0.1043 0.0016 0.3889 1036 TRP A CE3 1165 C CZ2 . TRP A 157 ? 0.6559 1.6983 1.1852 -0.0247 0.0397 0.5353 1036 TRP A CZ2 1166 C CZ3 . TRP A 157 ? 0.6667 1.4588 1.0345 -0.0280 0.0422 0.4043 1036 TRP A CZ3 1167 C CH2 . TRP A 157 ? 0.6644 1.5578 1.1184 0.0116 0.0653 0.4724 1036 TRP A CH2 1168 N N . VAL A 158 ? 0.8438 1.5373 1.0264 -0.3768 -0.0639 0.2725 1037 VAL A N 1169 C CA . VAL A 158 ? 0.8862 1.4396 1.0012 -0.4003 -0.0565 0.2106 1037 VAL A CA 1170 C C . VAL A 158 ? 0.9530 1.4244 1.0370 -0.3539 -0.0517 0.1655 1037 VAL A C 1171 O O . VAL A 158 ? 0.9049 1.3756 1.0118 -0.2828 -0.0416 0.1779 1037 VAL A O 1172 C CB . VAL A 158 ? 0.9360 1.4258 1.0515 -0.3784 -0.0338 0.2175 1037 VAL A CB 1173 C CG1 . VAL A 158 ? 0.9918 1.3389 1.0496 -0.4018 -0.0256 0.1647 1037 VAL A CG1 1174 C CG2 . VAL A 158 ? 0.9480 1.5386 1.1070 -0.4216 -0.0350 0.2704 1037 VAL A CG2 1175 N N . ILE A 159 ? 0.9916 1.3937 1.0225 -0.3970 -0.0549 0.1126 1038 ILE A N 1176 C CA . ILE A 159 ? 0.9870 1.3161 0.9939 -0.3597 -0.0467 0.0687 1038 ILE A CA 1177 C C . ILE A 159 ? 1.0664 1.2664 1.0593 -0.3226 -0.0256 0.0342 1038 ILE A C 1178 O O . ILE A 159 ? 1.1367 1.2657 1.1056 -0.3589 -0.0147 0.0144 1038 ILE A O 1179 C CB . ILE A 159 ? 1.0726 1.4077 1.0326 -0.4212 -0.0545 0.0342 1038 ILE A CB 1180 C CG1 . ILE A 159 ? 1.0446 1.5166 1.0257 -0.4394 -0.0813 0.0796 1038 ILE A CG1 1181 C CG2 . ILE A 159 ? 1.0890 1.3305 1.0238 -0.3901 -0.0352 -0.0184 1038 ILE A CG2 1182 C CD1 . ILE A 159 ? 1.1965 1.7943 1.1933 -0.5154 -0.1096 0.1299 1038 ILE A CD1 1183 N N . GLU A 160 ? 0.9571 1.1286 0.9667 -0.2532 -0.0212 0.0315 1039 GLU A N 1184 C CA . GLU A 160 ? 0.9437 1.0134 0.9507 -0.2131 -0.0092 0.0099 1039 GLU A CA 1185 C C . GLU A 160 ? 0.9277 0.9705 0.9396 -0.1795 -0.0068 -0.0198 1039 GLU A C 1186 O O . GLU A 160 ? 0.8505 0.9235 0.8787 -0.1363 -0.0146 -0.0055 1039 GLU A O 1187 C CB . GLU A 160 ? 0.9309 0.9996 0.9512 -0.1690 -0.0103 0.0450 1039 GLU A CB 1188 C CG . GLU A 160 ? 1.1042 1.1581 1.1176 -0.1998 -0.0044 0.0657 1039 GLU A CG 1189 C CD . GLU A 160 ? 1.4804 1.4270 1.4807 -0.2010 0.0056 0.0518 1039 GLU A CD 1190 O OE1 . GLU A 160 ? 1.3729 1.2548 1.3774 -0.1731 0.0089 0.0259 1039 GLU A OE1 1191 O OE2 . GLU A 160 ? 1.5792 1.5093 1.5719 -0.2289 0.0117 0.0723 1039 GLU A OE2 1192 N N . PRO A 161 ? 0.9236 0.9081 0.9204 -0.2023 0.0088 -0.0623 1040 PRO A N 1193 C CA . PRO A 161 ? 0.8932 0.8642 0.9021 -0.1737 0.0154 -0.0876 1040 PRO A CA 1194 C C . PRO A 161 ? 0.9293 0.8464 0.9731 -0.1169 0.0171 -0.0864 1040 PRO A C 1195 O O . PRO A 161 ? 0.9891 0.8451 1.0417 -0.1080 0.0240 -0.0822 1040 PRO A O 1196 C CB . PRO A 161 ? 0.9822 0.9088 0.9579 -0.2234 0.0407 -0.1341 1040 PRO A CB 1197 C CG . PRO A 161 ? 1.0962 1.0168 1.0365 -0.2834 0.0412 -0.1328 1040 PRO A CG 1198 C CD . PRO A 161 ? 1.0216 0.9464 0.9864 -0.2588 0.0276 -0.0922 1040 PRO A CD 1199 N N . VAL A 162 ? 0.8343 0.7768 0.8992 -0.0826 0.0089 -0.0861 1041 VAL A N 1200 C CA . VAL A 162 ? 0.8172 0.7304 0.9191 -0.0354 0.0027 -0.0820 1041 VAL A CA 1201 C C . VAL A 162 ? 0.9268 0.8293 1.0554 -0.0316 0.0218 -0.1140 1041 VAL A C 1202 O O . VAL A 162 ? 0.8757 0.8213 0.9955 -0.0416 0.0223 -0.1237 1041 VAL A O 1203 C CB . VAL A 162 ? 0.7925 0.7452 0.8917 -0.0064 -0.0221 -0.0549 1041 VAL A CB 1204 C CG1 . VAL A 162 ? 0.7917 0.7197 0.9205 0.0293 -0.0368 -0.0471 1041 VAL A CG1 1205 C CG2 . VAL A 162 ? 0.7769 0.7479 0.8471 -0.0115 -0.0292 -0.0256 1041 VAL A CG2 1206 N N . VAL A 163 ? 1.0045 0.8499 1.1694 -0.0158 0.0418 -0.1263 1042 VAL A N 1207 C CA . VAL A 163 ? 1.0623 0.8938 1.2627 -0.0083 0.0717 -0.1563 1042 VAL A CA 1208 C C . VAL A 163 ? 1.1078 0.9712 1.3696 0.0336 0.0548 -0.1392 1042 VAL A C 1209 O O . VAL A 163 ? 1.1053 0.9615 1.4036 0.0648 0.0324 -0.1082 1042 VAL A O 1210 C CB . VAL A 163 ? 1.2182 0.9670 1.4308 -0.0148 0.1173 -0.1836 1042 VAL A CB 1211 C CG1 . VAL A 163 ? 1.2828 1.0080 1.4202 -0.0770 0.1432 -0.2214 1042 VAL A CG1 1212 C CG2 . VAL A 163 ? 1.2480 0.9447 1.4885 0.0104 0.1099 -0.1530 1042 VAL A CG2 1213 N N . GLY A 164 ? 1.0555 0.9581 1.3239 0.0276 0.0631 -0.1563 1043 GLY A N 1214 C CA . GLY A 164 ? 1.0150 0.9582 1.3388 0.0547 0.0474 -0.1433 1043 GLY A CA 1215 C C . GLY A 164 ? 1.0100 0.9909 1.3049 0.0563 0.0043 -0.1180 1043 GLY A C 1216 O O . GLY A 164 ? 1.0078 0.9854 1.2483 0.0443 -0.0090 -0.1077 1043 GLY A O 1217 N N . ASN A 165 ? 0.9406 0.9549 1.2725 0.0695 -0.0142 -0.1077 1044 ASN A N 1218 C CA . ASN A 165 ? 0.9184 0.9495 1.2149 0.0681 -0.0491 -0.0896 1044 ASN A CA 1219 C C . ASN A 165 ? 0.9568 0.9709 1.2449 0.0831 -0.0822 -0.0615 1044 ASN A C 1220 O O . ASN A 165 ? 0.9600 0.9908 1.2686 0.0888 -0.1114 -0.0455 1044 ASN A O 1221 C CB . ASN A 165 ? 0.9604 1.0258 1.2811 0.0628 -0.0555 -0.0931 1044 ASN A CB 1222 C CG . ASN A 165 ? 1.2492 1.3119 1.5179 0.0550 -0.0802 -0.0829 1044 ASN A CG 1223 O OD1 . ASN A 165 ? 0.9522 1.0078 1.1706 0.0466 -0.0703 -0.0846 1044 ASN A OD1 1224 N ND2 . ASN A 165 ? 1.2898 1.3569 1.5700 0.0562 -0.1116 -0.0699 1044 ASN A ND2 1225 N N . ARG A 166 ? 0.8982 0.8817 1.1524 0.0831 -0.0782 -0.0539 1045 ARG A N 1226 C CA . ARG A 166 ? 0.8916 0.8560 1.1206 0.0921 -0.1044 -0.0258 1045 ARG A CA 1227 C C . ARG A 166 ? 0.8708 0.8356 1.0257 0.0812 -0.1098 -0.0250 1045 ARG A C 1228 O O . ARG A 166 ? 0.8675 0.8426 1.0026 0.0706 -0.0887 -0.0379 1045 ARG A O 1229 C CB . ARG A 166 ? 0.9109 0.8382 1.1406 0.0940 -0.0885 -0.0185 1045 ARG A CB 1230 C CG . ARG A 166 ? 1.0778 0.9856 1.3368 0.1135 -0.1097 0.0164 1045 ARG A CG 1231 C CD . ARG A 166 ? 1.3821 1.2400 1.6565 0.1159 -0.0837 0.0201 1045 ARG A CD 1232 N NE . ARG A 166 ? 1.6169 1.4557 1.8243 0.0920 -0.0734 0.0166 1045 ARG A NE 1233 C CZ . ARG A 166 ? 1.7932 1.6016 1.9906 0.0704 -0.0419 -0.0037 1045 ARG A CZ 1234 N NH1 . ARG A 166 ? 1.6164 1.3941 1.8544 0.0698 -0.0105 -0.0296 1045 ARG A NH1 1235 N NH2 . ARG A 166 ? 1.5412 1.3506 1.6867 0.0456 -0.0388 0.0010 1045 ARG A NH2 1236 N N . LEU A 167 ? 0.7624 0.7168 0.8763 0.0829 -0.1354 -0.0082 1046 LEU A N 1237 C CA . LEU A 167 ? 0.7268 0.6687 0.7704 0.0773 -0.1292 -0.0103 1046 LEU A CA 1238 C C . LEU A 167 ? 0.7987 0.7178 0.7903 0.0789 -0.1259 0.0083 1046 LEU A C 1239 O O . LEU A 167 ? 0.8415 0.7451 0.7741 0.0784 -0.1142 0.0089 1046 LEU A O 1240 C CB . LEU A 167 ? 0.7371 0.6730 0.7544 0.0690 -0.1471 -0.0179 1046 LEU A CB 1241 C CG . LEU A 167 ? 0.7227 0.6839 0.7892 0.0634 -0.1441 -0.0351 1046 LEU A CG 1242 C CD1 . LEU A 167 ? 0.7420 0.6899 0.7769 0.0468 -0.1641 -0.0412 1046 LEU A CD1 1243 C CD2 . LEU A 167 ? 0.6962 0.6666 0.7651 0.0649 -0.1112 -0.0459 1046 LEU A CD2 1244 N N . THR A 168 ? 0.7354 0.6482 0.7516 0.0815 -0.1281 0.0235 1047 THR A N 1245 C CA . THR A 168 ? 0.7518 0.6452 0.7279 0.0795 -0.1224 0.0450 1047 THR A CA 1246 C C . THR A 168 ? 0.7992 0.6884 0.8115 0.0737 -0.1040 0.0476 1047 THR A C 1247 O O . THR A 168 ? 0.7956 0.6820 0.8625 0.0749 -0.1002 0.0353 1047 THR A O 1248 C CB . THR A 168 ? 0.8810 0.7548 0.8247 0.0805 -0.1532 0.0704 1047 THR A CB 1249 O OG1 . THR A 168 ? 0.8601 0.7144 0.7515 0.0758 -0.1417 0.0910 1047 THR A OG1 1250 C CG2 . THR A 168 ? 0.8427 0.7200 0.8547 0.0901 -0.1783 0.0884 1047 THR A CG2 1251 N N . HIS A 169 ? 0.7629 0.6488 0.7426 0.0641 -0.0881 0.0619 1048 HIS A N 1252 C CA . HIS A 169 ? 0.7625 0.6377 0.7631 0.0474 -0.0721 0.0660 1048 HIS A CA 1253 C C . HIS A 169 ? 0.8740 0.7426 0.8345 0.0388 -0.0644 0.0938 1048 HIS A C 1254 O O . HIS A 169 ? 0.8869 0.7825 0.8133 0.0401 -0.0525 0.1007 1048 HIS A O 1255 C CB . HIS A 169 ? 0.7320 0.6391 0.7540 0.0279 -0.0533 0.0426 1048 HIS A CB 1256 C CG . HIS A 169 ? 0.7926 0.6814 0.8263 -0.0019 -0.0379 0.0385 1048 HIS A CG 1257 N ND1 . HIS A 169 ? 0.8343 0.6735 0.8975 -0.0049 -0.0307 0.0215 1048 HIS A ND1 1258 C CD2 . HIS A 169 ? 0.8214 0.7348 0.8416 -0.0330 -0.0258 0.0485 1048 HIS A CD2 1259 C CE1 . HIS A 169 ? 0.8621 0.6824 0.9158 -0.0413 -0.0135 0.0164 1048 HIS A CE1 1260 N NE2 . HIS A 169 ? 0.8540 0.7241 0.8831 -0.0626 -0.0141 0.0338 1048 HIS A NE2 1261 N N . GLN A 170 ? 0.8725 0.7016 0.8405 0.0318 -0.0659 0.1123 1049 GLN A N 1262 C CA . GLN A 170 ? 0.9124 0.7288 0.8454 0.0190 -0.0574 0.1435 1049 GLN A CA 1263 C C . GLN A 170 ? 0.9692 0.7979 0.9191 -0.0151 -0.0337 0.1395 1049 GLN A C 1264 O O . GLN A 170 ? 0.9798 0.7829 0.9623 -0.0316 -0.0277 0.1191 1049 GLN A O 1265 C CB . GLN A 170 ? 0.9859 0.7479 0.9237 0.0281 -0.0744 0.1718 1049 GLN A CB 1266 C CG . GLN A 170 ? 1.2982 1.0479 1.1789 0.0235 -0.0772 0.2114 1049 GLN A CG 1267 C CD . GLN A 170 ? 1.5679 1.2650 1.4647 0.0308 -0.0943 0.2475 1049 GLN A CD 1268 O OE1 . GLN A 170 ? 1.5071 1.1626 1.4280 0.0168 -0.0778 0.2594 1049 GLN A OE1 1269 N NE2 . GLN A 170 ? 1.5156 1.2132 1.4052 0.0513 -0.1285 0.2675 1049 GLN A NE2 1270 N N . ILE A 171 ? 0.9311 0.7995 0.8577 -0.0290 -0.0180 0.1586 1050 ILE A N 1271 C CA . ILE A 171 ? 0.9456 0.8427 0.8896 -0.0698 -0.0008 0.1642 1050 ILE A CA 1272 C C . ILE A 171 ? 1.1144 0.9901 1.0329 -0.0843 0.0095 0.2017 1050 ILE A C 1273 O O . ILE A 171 ? 1.1406 1.0364 1.0255 -0.0674 0.0178 0.2250 1050 ILE A O 1274 C CB . ILE A 171 ? 0.9242 0.9117 0.8876 -0.0783 0.0097 0.1622 1050 ILE A CB 1275 C CG1 . ILE A 171 ? 0.8695 0.8735 0.8521 -0.0651 -0.0008 0.1298 1050 ILE A CG1 1276 C CG2 . ILE A 171 ? 0.9468 0.9761 0.9323 -0.1314 0.0186 0.1735 1050 ILE A CG2 1277 C CD1 . ILE A 171 ? 0.8672 0.9504 0.8660 -0.0543 0.0072 0.1385 1050 ILE A CD1 1278 N N . GLN A 172 ? 1.1498 0.9753 1.0784 -0.1170 0.0133 0.2061 1051 GLN A N 1279 C CA . GLN A 172 ? 1.2220 1.0160 1.1287 -0.1366 0.0237 0.2445 1051 GLN A CA 1280 C C . GLN A 172 ? 1.2690 1.1138 1.1906 -0.1903 0.0422 0.2559 1051 GLN A C 1281 O O . GLN A 172 ? 1.2208 1.1208 1.1701 -0.2167 0.0422 0.2341 1051 GLN A O 1282 C CB . GLN A 172 ? 1.3117 1.0019 1.2235 -0.1366 0.0182 0.2494 1051 GLN A CB 1283 C CG . GLN A 172 ? 1.5236 1.1761 1.4401 -0.0874 -0.0042 0.2478 1051 GLN A CG 1284 C CD . GLN A 172 ? 1.9276 1.4885 1.8789 -0.0834 -0.0013 0.2467 1051 GLN A CD 1285 O OE1 . GLN A 172 ? 1.9403 1.4452 1.8884 -0.0692 -0.0077 0.2881 1051 GLN A OE1 1286 N NE2 . GLN A 172 ? 1.8685 1.4095 1.8528 -0.0954 0.0122 0.2018 1051 GLN A NE2 1287 N N . GLU A 173 ? 1.2717 1.1022 1.1743 -0.2103 0.0556 0.2947 1052 GLU A N 1288 C CA . GLU A 173 ? 1.2976 1.1738 1.2160 -0.2667 0.0731 0.3166 1052 GLU A CA 1289 C C . GLU A 173 ? 1.2601 1.2687 1.2112 -0.2740 0.0841 0.3284 1052 GLU A C 1290 O O . GLU A 173 ? 1.2550 1.3243 1.2409 -0.3283 0.0864 0.3344 1052 GLU A O 1291 C CB . GLU A 173 ? 1.3815 1.1891 1.3101 -0.3245 0.0732 0.2981 1052 GLU A CB 1292 C CG . GLU A 173 ? 1.6381 1.3114 1.5460 -0.3127 0.0741 0.3035 1052 GLU A CG 1293 C CD . GLU A 173 ? 2.1389 1.7745 2.0190 -0.3120 0.0838 0.3575 1052 GLU A CD 1294 O OE1 . GLU A 173 ? 2.1794 1.8394 2.0594 -0.3638 0.1005 0.3831 1052 GLU A OE1 1295 O OE2 . GLU A 173 ? 2.1319 1.7188 1.9898 -0.2637 0.0728 0.3778 1052 GLU A OE2 1296 N N . LEU A 174 ? 1.1533 1.2045 1.0930 -0.2213 0.0934 0.3369 1053 LEU A N 1297 C CA . LEU A 174 ? 1.0911 1.2597 1.0700 -0.2119 0.1131 0.3552 1053 LEU A CA 1298 C C . LEU A 174 ? 1.1880 1.4034 1.1686 -0.2240 0.1475 0.4025 1053 LEU A C 1299 O O . LEU A 174 ? 1.2535 1.4031 1.1786 -0.2153 0.1582 0.4172 1053 LEU A O 1300 C CB . LEU A 174 ? 1.0369 1.2148 1.0033 -0.1502 0.1159 0.3363 1053 LEU A CB 1301 C CG . LEU A 174 ? 1.0383 1.1962 1.0170 -0.1405 0.0860 0.2941 1053 LEU A CG 1302 C CD1 . LEU A 174 ? 1.0336 1.1401 0.9709 -0.0883 0.0814 0.2723 1053 LEU A CD1 1303 C CD2 . LEU A 174 ? 0.9957 1.2549 1.0336 -0.1504 0.0851 0.2974 1053 LEU A CD2 1304 N N . THR A 175 ? 1.1230 1.4600 1.1715 -0.2471 0.1641 0.4318 1054 THR A N 1305 C CA . THR A 175 ? 1.1528 1.5615 1.2250 -0.2590 0.2038 0.4820 1054 THR A CA 1306 C C . THR A 175 ? 1.2295 1.6243 1.2577 -0.1940 0.2449 0.4888 1054 THR A C 1307 O O . THR A 175 ? 1.1852 1.5855 1.2124 -0.1435 0.2498 0.4674 1054 THR A O 1308 C CB . THR A 175 ? 1.1459 1.7068 1.3187 -0.2923 0.2080 0.5160 1054 THR A CB 1309 O OG1 . THR A 175 ? 1.0906 1.6518 1.2814 -0.3558 0.1647 0.4963 1054 THR A OG1 1310 C CG2 . THR A 175 ? 1.1821 1.8237 1.3944 -0.3207 0.2462 0.5721 1054 THR A CG2 1311 N N . LEU A 176 ? 1.2587 1.6254 1.2407 -0.2005 0.2762 0.5166 1055 LEU A N 1312 C CA . LEU A 176 ? 1.2926 1.6337 1.2098 -0.1515 0.3211 0.5204 1055 LEU A CA 1313 C C . LEU A 176 ? 1.3136 1.7671 1.2967 -0.1208 0.3782 0.5467 1055 LEU A C 1314 O O . LEU A 176 ? 1.2721 1.8408 1.3580 -0.1478 0.3825 0.5804 1055 LEU A O 1315 C CB . LEU A 176 ? 1.3896 1.6638 1.2281 -0.1749 0.3347 0.5445 1055 LEU A CB 1316 C CG . LEU A 176 ? 1.4841 1.6357 1.2532 -0.1876 0.2839 0.5257 1055 LEU A CG 1317 C CD1 . LEU A 176 ? 1.5759 1.6699 1.2714 -0.2113 0.2978 0.5626 1055 LEU A CD1 1318 C CD2 . LEU A 176 ? 1.5094 1.5976 1.2224 -0.1405 0.2596 0.4828 1055 LEU A CD2 1319 N N . ASP A 177 ? 1.3035 1.7242 1.2308 -0.0651 0.4224 0.5318 1056 ASP A N 1320 C CA . ASP A 177 ? 1.3085 1.8135 1.2927 -0.0204 0.4924 0.5537 1056 ASP A CA 1321 C C . ASP A 177 ? 1.2760 1.8991 1.3959 -0.0107 0.4786 0.5710 1056 ASP A C 1322 O O . ASP A 177 ? 1.2513 1.9979 1.4751 0.0005 0.5218 0.6187 1056 ASP A O 1323 C CB . ASP A 177 ? 1.4014 1.9598 1.3938 -0.0347 0.5560 0.6014 1056 ASP A CB 1324 C CG . ASP A 177 ? 1.5400 2.1342 1.5439 0.0228 0.6478 0.6139 1056 ASP A CG 1325 O OD1 . ASP A 177 ? 1.5102 2.0656 1.4979 0.0756 0.6647 0.5810 1056 ASP A OD1 1326 O OD2 . ASP A 177 ? 1.7274 2.3805 1.7537 0.0150 0.7083 0.6556 1056 ASP A OD2 1327 N N . THR A 178 ? 1.1991 1.7894 1.3197 -0.0171 0.4167 0.5367 1057 THR A N 1328 C CA . THR A 178 ? 1.1205 1.8131 1.3503 -0.0174 0.3915 0.5517 1057 THR A CA 1329 C C . THR A 178 ? 1.1351 1.7776 1.3448 0.0358 0.3877 0.5151 1057 THR A C 1330 O O . THR A 178 ? 1.1505 1.6796 1.2722 0.0362 0.3534 0.4652 1057 THR A O 1331 C CB . THR A 178 ? 1.2028 1.9114 1.4545 -0.0894 0.3225 0.5471 1057 THR A CB 1332 O OG1 . THR A 178 ? 1.3183 2.0507 1.5749 -0.1430 0.3297 0.5780 1057 THR A OG1 1333 C CG2 . THR A 178 ? 1.0839 1.9141 1.4402 -0.1061 0.2930 0.5698 1057 THR A CG2 1334 N N . PRO A 179 ? 1.0461 1.7756 1.3451 0.0801 0.4210 0.5444 1058 PRO A N 1335 C CA . PRO A 179 ? 1.0093 1.6902 1.2961 0.1251 0.4141 0.5132 1058 PRO A CA 1336 C C . PRO A 179 ? 0.9485 1.6551 1.2639 0.0853 0.3383 0.5006 1058 PRO A C 1337 O O . PRO A 179 ? 0.9019 1.7266 1.3048 0.0466 0.3119 0.5405 1058 PRO A O 1338 C CB . PRO A 179 ? 1.0354 1.8129 1.4276 0.1822 0.4769 0.5634 1058 PRO A CB 1339 C CG . PRO A 179 ? 1.1178 1.9971 1.5759 0.1691 0.5195 0.6188 1058 PRO A CG 1340 C CD . PRO A 179 ? 1.0493 1.9329 1.4776 0.0900 0.4627 0.6139 1058 PRO A CD 1341 N N . TYR A 180 ? 0.8903 1.4870 1.1258 0.0877 0.3035 0.4447 1059 TYR A N 1342 C CA . TYR A 180 ? 0.8205 1.4213 1.0674 0.0556 0.2413 0.4231 1059 TYR A CA 1343 C C . TYR A 180 ? 0.8487 1.4299 1.1034 0.1008 0.2437 0.4082 1059 TYR A C 1344 O O . TYR A 180 ? 0.8710 1.3941 1.0938 0.1527 0.2881 0.3975 1059 TYR A O 1345 C CB . TYR A 180 ? 0.8380 1.3345 1.0011 0.0185 0.2000 0.3758 1059 TYR A CB 1346 C CG . TYR A 180 ? 0.8733 1.3945 1.0451 -0.0420 0.1822 0.3916 1059 TYR A CG 1347 C CD1 . TYR A 180 ? 0.8816 1.4595 1.0957 -0.0977 0.1433 0.3957 1059 TYR A CD1 1348 C CD2 . TYR A 180 ? 0.9316 1.4075 1.0569 -0.0498 0.2042 0.3997 1059 TYR A CD2 1349 C CE1 . TYR A 180 ? 0.9288 1.5129 1.1424 -0.1609 0.1297 0.4053 1059 TYR A CE1 1350 C CE2 . TYR A 180 ? 0.9608 1.4444 1.0907 -0.1083 0.1891 0.4143 1059 TYR A CE2 1351 C CZ . TYR A 180 ? 0.9944 1.5296 1.1703 -0.1643 0.1533 0.4158 1059 TYR A CZ 1352 O OH . TYR A 180 ? 1.0295 1.5580 1.2032 -0.2289 0.1413 0.4254 1059 TYR A OH 1353 N N . TYR A 181 ? 0.7723 1.3983 1.0638 0.0763 0.1989 0.4075 1060 TYR A N 1354 C CA . TYR A 181 ? 0.7427 1.3612 1.0489 0.1094 0.1944 0.4003 1060 TYR A CA 1355 C C . TYR A 181 ? 0.7660 1.3246 1.0215 0.0743 0.1422 0.3510 1060 TYR A C 1356 O O . TYR A 181 ? 0.7499 1.3370 1.0076 0.0182 0.1063 0.3463 1060 TYR A O 1357 C CB . TYR A 181 ? 0.7230 1.4854 1.1410 0.1149 0.1962 0.4665 1060 TYR A CB 1358 C CG . TYR A 181 ? 0.7702 1.6009 1.2590 0.1595 0.2571 0.5222 1060 TYR A CG 1359 C CD1 . TYR A 181 ? 0.8275 1.6190 1.3297 0.2324 0.3148 0.5309 1060 TYR A CD1 1360 C CD2 . TYR A 181 ? 0.7880 1.7120 1.3272 0.1284 0.2642 0.5633 1060 TYR A CD2 1361 C CE1 . TYR A 181 ? 0.8732 1.7170 1.4412 0.2794 0.3838 0.5793 1060 TYR A CE1 1362 C CE2 . TYR A 181 ? 0.8349 1.8244 1.4450 0.1725 0.3285 0.6152 1060 TYR A CE2 1363 C CZ . TYR A 181 ? 1.0021 1.9511 1.6281 0.2511 0.3911 0.6229 1060 TYR A CZ 1364 O OH . TYR A 181 ? 1.1217 2.1311 1.8229 0.3003 0.4661 0.6739 1060 TYR A OH 1365 N N . PHE A 182 ? 0.7172 1.1878 0.9254 0.1044 0.1426 0.3125 1061 PHE A N 1366 C CA . PHE A 182 ? 0.6735 1.0847 0.8392 0.0790 0.1013 0.2654 1061 PHE A CA 1367 C C . PHE A 182 ? 0.7059 1.1155 0.8852 0.1006 0.0970 0.2606 1061 PHE A C 1368 O O . PHE A 182 ? 0.7226 1.1036 0.9018 0.1466 0.1296 0.2673 1061 PHE A O 1369 C CB . PHE A 182 ? 0.7163 1.0129 0.8031 0.0847 0.0981 0.2202 1061 PHE A CB 1370 C CG . PHE A 182 ? 0.7537 1.0357 0.8161 0.0645 0.1024 0.2268 1061 PHE A CG 1371 C CD1 . PHE A 182 ? 0.8087 1.0903 0.8572 0.0880 0.1430 0.2492 1061 PHE A CD1 1372 C CD2 . PHE A 182 ? 0.7622 1.0227 0.8128 0.0224 0.0719 0.2109 1061 PHE A CD2 1373 C CE1 . PHE A 182 ? 0.8444 1.1128 0.8667 0.0664 0.1479 0.2594 1061 PHE A CE1 1374 C CE2 . PHE A 182 ? 0.8191 1.0612 0.8492 0.0026 0.0774 0.2231 1061 PHE A CE2 1375 C CZ . PHE A 182 ? 0.8233 1.0731 0.8387 0.0234 0.1128 0.2489 1061 PHE A CZ 1376 N N . LYS A 183 ? 0.6499 1.0772 0.8320 0.0652 0.0610 0.2452 1062 LYS A N 1377 C CA . LYS A 183 ? 0.6254 1.0457 0.8121 0.0772 0.0526 0.2374 1062 LYS A CA 1378 C C . LYS A 183 ? 0.6676 1.0456 0.8178 0.0404 0.0209 0.1901 1062 LYS A C 1379 O O . LYS A 183 ? 0.6728 1.0512 0.8094 -0.0008 0.0043 0.1739 1062 LYS A O 1380 C CB . LYS A 183 ? 0.6140 1.1383 0.8684 0.0848 0.0560 0.2952 1062 LYS A CB 1381 C CG . LYS A 183 ? 0.5019 1.1367 0.7933 0.0320 0.0287 0.3289 1062 LYS A CG 1382 C CD . LYS A 183 ? 0.6347 1.3809 1.0054 0.0523 0.0358 0.4014 1062 LYS A CD 1383 C CE . LYS A 183 ? 0.6820 1.5552 1.0883 -0.0102 -0.0018 0.4415 1062 LYS A CE 1384 N NZ . LYS A 183 ? 0.7241 1.7212 1.2209 0.0134 0.0000 0.5256 1062 LYS A NZ 1385 N N . ILE A 184 ? 0.6117 0.9413 0.7449 0.0572 0.0190 0.1658 1063 ILE A N 1386 C CA . ILE A 184 ? 0.6010 0.8890 0.7080 0.0311 -0.0019 0.1214 1063 ILE A CA 1387 C C . ILE A 184 ? 0.6672 0.9827 0.7857 0.0255 -0.0077 0.1256 1063 ILE A C 1388 O O . ILE A 184 ? 0.6786 1.0076 0.8166 0.0557 0.0059 0.1543 1063 ILE A O 1389 C CB . ILE A 184 ? 0.6460 0.8417 0.7186 0.0522 -0.0014 0.0841 1063 ILE A CB 1390 C CG1 . ILE A 184 ? 0.7023 0.8685 0.7543 0.0729 0.0126 0.0939 1063 ILE A CG1 1391 C CG2 . ILE A 184 ? 0.6186 0.7778 0.6814 0.0280 -0.0184 0.0461 1063 ILE A CG2 1392 C CD1 . ILE A 184 ? 1.0266 1.1183 1.0397 0.0850 0.0061 0.0668 1063 ILE A CD1 1393 N N . GLN A 185 ? 0.6116 0.9280 0.7154 -0.0129 -0.0224 0.0973 1064 GLN A N 1394 C CA . GLN A 185 ? 0.6037 0.9339 0.7054 -0.0240 -0.0263 0.0925 1064 GLN A CA 1395 C C . GLN A 185 ? 0.6414 0.9101 0.7235 -0.0339 -0.0261 0.0405 1064 GLN A C 1396 O O . GLN A 185 ? 0.6666 0.9006 0.7389 -0.0459 -0.0265 0.0132 1064 GLN A O 1397 C CB . GLN A 185 ? 0.6306 1.0478 0.7347 -0.0666 -0.0392 0.1221 1064 GLN A CB 1398 C CG . GLN A 185 ? 0.7418 1.1714 0.8172 -0.1233 -0.0492 0.0984 1064 GLN A CG 1399 C CD . GLN A 185 ? 0.8211 1.3424 0.8864 -0.1765 -0.0676 0.1295 1064 GLN A CD 1400 O OE1 . GLN A 185 ? 0.7453 1.2872 0.7839 -0.2312 -0.0775 0.1188 1064 GLN A OE1 1401 N NE2 . GLN A 185 ? 0.7283 1.3034 0.8091 -0.1677 -0.0740 0.1693 1064 GLN A NE2 1402 N N . ALA A 186 ? 0.5531 0.8075 0.6371 -0.0254 -0.0225 0.0314 1065 ALA A N 1403 C CA . ALA A 186 ? 0.5280 0.7399 0.6095 -0.0321 -0.0185 -0.0109 1065 ALA A CA 1404 C C . ALA A 186 ? 0.6216 0.8622 0.6842 -0.0760 -0.0129 -0.0268 1065 ALA A C 1405 O O . ALA A 186 ? 0.6369 0.9346 0.6844 -0.1016 -0.0186 0.0003 1065 ALA A O 1406 C CB . ALA A 186 ? 0.5227 0.7103 0.6158 -0.0086 -0.0158 -0.0110 1065 ALA A CB 1407 N N . ARG A 187 ? 0.6277 0.8302 0.6904 -0.0856 0.0002 -0.0681 1066 ARG A N 1408 C CA . ARG A 187 ? 0.6869 0.8978 0.7210 -0.1278 0.0175 -0.0949 1066 ARG A CA 1409 C C . ARG A 187 ? 0.6861 0.8725 0.7444 -0.1153 0.0371 -0.1215 1066 ARG A C 1410 O O . ARG A 187 ? 0.6431 0.7952 0.7439 -0.0818 0.0375 -0.1315 1066 ARG A O 1411 C CB . ARG A 187 ? 0.8013 0.9778 0.8132 -0.1550 0.0294 -0.1253 1066 ARG A CB 1412 C CG . ARG A 187 ? 1.1786 1.3590 1.1355 -0.2125 0.0500 -0.1548 1066 ARG A CG 1413 C CD . ARG A 187 ? 1.2869 1.3953 1.2287 -0.2296 0.0808 -0.2027 1066 ARG A CD 1414 N NE . ARG A 187 ? 0.9895 1.0662 0.9505 -0.2137 0.0695 -0.1939 1066 ARG A NE 1415 C CZ . ARG A 187 ? 1.1163 1.1165 1.0894 -0.2057 0.0957 -0.2247 1066 ARG A CZ 1416 N NH1 . ARG A 187 ? 0.6140 0.5627 0.5826 -0.2126 0.1391 -0.2687 1066 ARG A NH1 1417 N NH2 . ARG A 187 ? 1.0583 1.0301 1.0492 -0.1900 0.0838 -0.2095 1066 ARG A NH2 1418 N N . ASN A 188 ? 0.6612 0.8723 0.6934 -0.1458 0.0525 -0.1289 1067 ASN A N 1419 C CA . ASN A 188 ? 0.6745 0.8692 0.7315 -0.1408 0.0799 -0.1563 1067 ASN A CA 1420 C C . ASN A 188 ? 0.8138 1.0052 0.8188 -0.1885 0.1149 -0.1915 1067 ASN A C 1421 O O . ASN A 188 ? 0.8575 1.0563 0.8033 -0.2288 0.1108 -0.1947 1067 ASN A O 1422 C CB . ASN A 188 ? 0.5496 0.7645 0.6361 -0.1219 0.0713 -0.1317 1067 ASN A CB 1423 C CG . ASN A 188 ? 0.6865 0.9440 0.7354 -0.1480 0.0679 -0.1021 1067 ASN A CG 1424 O OD1 . ASN A 188 ? 0.7757 1.0600 0.7712 -0.1898 0.0762 -0.1042 1067 ASN A OD1 1425 N ND2 . ASN A 188 ? 0.5421 0.8030 0.6148 -0.1273 0.0564 -0.0729 1067 ASN A ND2 1426 N N . SER A 189 ? 0.7849 0.9659 0.8091 -0.1884 0.1514 -0.2184 1068 SER A N 1427 C CA . SER A 189 ? 0.8576 1.0246 0.8257 -0.2330 0.1977 -0.2589 1068 SER A CA 1428 C C . SER A 189 ? 0.9405 1.1523 0.8170 -0.2912 0.1844 -0.2416 1068 SER A C 1429 O O . SER A 189 ? 1.0538 1.2498 0.8543 -0.3433 0.2166 -0.2771 1068 SER A O 1430 C CB . SER A 189 ? 0.9115 1.0787 0.9276 -0.2175 0.2383 -0.2768 1068 SER A CB 1431 O OG . SER A 189 ? 0.9952 1.2125 1.0044 -0.2280 0.2254 -0.2452 1068 SER A OG 1432 N N . LYS A 190 ? 0.8184 1.0844 0.7003 -0.2839 0.1398 -0.1853 1069 LYS A N 1433 C CA . LYS A 190 ? 0.8506 1.1765 0.6635 -0.3323 0.1191 -0.1494 1069 LYS A CA 1434 C C . LYS A 190 ? 0.9253 1.2882 0.7112 -0.3534 0.0788 -0.1174 1069 LYS A C 1435 O O . LYS A 190 ? 0.9657 1.3847 0.6872 -0.4075 0.0610 -0.0919 1069 LYS A O 1436 C CB . LYS A 190 ? 0.8282 1.1926 0.6681 -0.3138 0.1067 -0.1013 1069 LYS A CB 1437 C CG . LYS A 190 ? 0.7526 1.0943 0.6196 -0.3040 0.1461 -0.1282 1069 LYS A CG 1438 C CD . LYS A 190 ? 0.9727 1.3321 0.7621 -0.3615 0.1795 -0.1455 1069 LYS A CD 1439 C CE . LYS A 190 ? 1.0394 1.3804 0.8662 -0.3503 0.2269 -0.1739 1069 LYS A CE 1440 N NZ . LYS A 190 ? 1.2735 1.6517 1.0398 -0.3949 0.2435 -0.1542 1069 LYS A NZ 1441 N N . GLY A 191 ? 0.8545 1.1939 0.6898 -0.3151 0.0635 -0.1148 1070 GLY A N 1442 C CA . GLY A 191 ? 0.8497 1.2292 0.6729 -0.3328 0.0296 -0.0827 1070 GLY A CA 1443 C C . GLY A 191 ? 0.8547 1.2376 0.7474 -0.2743 0.0069 -0.0464 1070 GLY A C 1444 O O . GLY A 191 ? 0.8215 1.1556 0.7637 -0.2227 0.0171 -0.0599 1070 GLY A O 1445 N N . MET A 192 ? 0.8024 1.2473 0.6968 -0.2871 -0.0232 0.0005 1071 MET A N 1446 C CA . MET A 192 ? 0.7388 1.1920 0.6916 -0.2369 -0.0381 0.0367 1071 MET A CA 1447 C C . MET A 192 ? 0.6394 1.1229 0.6345 -0.1927 -0.0448 0.0905 1071 MET A C 1448 O O . MET A 192 ? 0.6458 1.1887 0.6296 -0.2132 -0.0553 0.1306 1071 MET A O 1449 C CB . MET A 192 ? 0.8102 1.3258 0.7578 -0.2705 -0.0612 0.0678 1071 MET A CB 1450 C CG . MET A 192 ? 0.9493 1.4316 0.8477 -0.3250 -0.0553 0.0195 1071 MET A CG 1451 S SD . MET A 192 ? 1.0546 1.4114 0.9616 -0.2902 -0.0208 -0.0501 1071 MET A SD 1452 C CE . MET A 192 ? 0.9518 1.2993 0.9258 -0.2230 -0.0316 -0.0164 1071 MET A CE 1453 N N . GLY A 193 ? 0.4969 0.9360 0.5349 -0.1356 -0.0377 0.0935 1072 GLY A N 1454 C CA . GLY A 193 ? 0.4826 0.9267 0.5573 -0.0906 -0.0350 0.1388 1072 GLY A CA 1455 C C . GLY A 193 ? 0.6170 1.1119 0.7286 -0.0677 -0.0420 0.1930 1072 GLY A C 1456 O O . GLY A 193 ? 0.6439 1.1829 0.7524 -0.0947 -0.0546 0.1981 1072 GLY A O 1457 N N . PRO A 194 ? 0.5863 1.0724 0.7367 -0.0175 -0.0289 0.2346 1073 PRO A N 1458 C CA . PRO A 194 ? 0.5728 1.1073 0.7698 0.0123 -0.0248 0.2875 1073 PRO A CA 1459 C C . PRO A 194 ? 0.6440 1.1296 0.8380 0.0317 -0.0133 0.2543 1073 PRO A C 1460 O O . PRO A 194 ? 0.6424 1.0480 0.8023 0.0315 -0.0095 0.1962 1073 PRO A O 1461 C CB . PRO A 194 ? 0.6001 1.1141 0.8339 0.0634 -0.0020 0.3327 1073 PRO A CB 1462 C CG . PRO A 194 ? 0.6703 1.0920 0.8694 0.0667 0.0085 0.2848 1073 PRO A CG 1463 C CD . PRO A 194 ? 0.6082 1.0316 0.7627 0.0140 -0.0110 0.2331 1073 PRO A CD 1464 N N . MET A 195 ? 0.6279 1.1704 0.8620 0.0471 -0.0085 0.2978 1074 MET A N 1465 C CA . MET A 195 ? 0.6346 1.1428 0.8662 0.0640 0.0054 0.2784 1074 MET A CA 1466 C C . MET A 195 ? 0.7116 1.1577 0.9560 0.1245 0.0432 0.2868 1074 MET A C 1467 O O . MET A 195 ? 0.7167 1.1740 0.9980 0.1599 0.0636 0.3300 1074 MET A O 1468 C CB . MET A 195 ? 0.6609 1.2680 0.9309 0.0443 -0.0038 0.3218 1074 MET A CB 1469 C CG . MET A 195 ? 0.7156 1.3969 0.9722 -0.0226 -0.0394 0.3256 1074 MET A CG 1470 S SD . MET A 195 ? 0.7809 1.4377 1.0030 -0.0657 -0.0476 0.2817 1074 MET A SD 1471 C CE . MET A 195 ? 0.7523 1.5351 0.9737 -0.1513 -0.0870 0.3152 1074 MET A CE 1472 N N . SER A 196 ? 0.6965 1.0762 0.9081 0.1352 0.0557 0.2494 1075 SER A N 1473 C CA . SER A 196 ? 0.7358 1.0439 0.9363 0.1832 0.0957 0.2466 1075 SER A CA 1474 C C . SER A 196 ? 0.7923 1.1739 1.0541 0.2127 0.1248 0.3072 1075 SER A C 1475 O O . SER A 196 ? 0.7448 1.2330 1.0512 0.1863 0.1039 0.3442 1075 SER A O 1476 C CB . SER A 196 ? 0.8021 1.0327 0.9414 0.1737 0.0919 0.1934 1075 SER A CB 1477 O OG . SER A 196 ? 0.9011 1.1757 1.0485 0.1591 0.0882 0.2043 1075 SER A OG 1478 N N . GLU A 197 ? 0.7959 1.1212 1.0603 0.2642 0.1759 0.3172 1076 GLU A N 1479 C CA . GLU A 197 ? 0.7972 1.1871 1.1254 0.2991 0.2149 0.3723 1076 GLU A CA 1480 C C . GLU A 197 ? 0.8408 1.2279 1.1322 0.2756 0.2106 0.3460 1076 GLU A C 1481 O O . GLU A 197 ? 0.8574 1.1503 1.0663 0.2598 0.2021 0.2868 1076 GLU A O 1482 C CB . GLU A 197 ? 0.8887 1.1947 1.2170 0.3614 0.2830 0.3795 1076 GLU A CB 1483 C CG . GLU A 197 ? 1.0270 1.3377 1.4067 0.3912 0.2950 0.4204 1076 GLU A CG 1484 C CD . GLU A 197 ? 1.3153 1.7257 1.8110 0.4401 0.3316 0.5097 1076 GLU A CD 1485 O OE1 . GLU A 197 ? 1.2948 1.8198 1.8486 0.4323 0.3243 0.5496 1076 GLU A OE1 1486 O OE2 . GLU A 197 ? 1.2124 1.5851 1.7464 0.4877 0.3709 0.5436 1076 GLU A OE2 1487 N N . ALA A 198 ? 0.7660 1.2644 1.1220 0.2671 0.2104 0.3949 1077 ALA A N 1488 C CA . ALA A 198 ? 0.7554 1.2593 1.0850 0.2419 0.2083 0.3800 1077 ALA A CA 1489 C C . ALA A 198 ? 0.8736 1.2747 1.1430 0.2775 0.2605 0.3509 1077 ALA A C 1490 O O . ALA A 198 ? 0.9211 1.2944 1.2092 0.3300 0.3181 0.3695 1077 ALA A O 1491 C CB . ALA A 198 ? 0.7432 1.3900 1.1629 0.2285 0.2071 0.4458 1077 ALA A CB 1492 N N . VAL A 199 ? 0.8454 1.1797 1.0347 0.2475 0.2412 0.3032 1078 VAL A N 1493 C CA . VAL A 199 ? 0.9144 1.1541 1.0247 0.2644 0.2794 0.2733 1078 VAL A CA 1494 C C . VAL A 199 ? 0.9689 1.2708 1.1001 0.2506 0.2930 0.3025 1078 VAL A C 1495 O O . VAL A 199 ? 0.9271 1.2828 1.0768 0.2062 0.2492 0.3087 1078 VAL A O 1496 C CB . VAL A 199 ? 0.9755 1.1107 0.9881 0.2378 0.2420 0.2119 1078 VAL A CB 1497 C CG1 . VAL A 199 ? 1.0434 1.1043 0.9658 0.2336 0.2616 0.1881 1078 VAL A CG1 1498 C CG2 . VAL A 199 ? 0.9947 1.0612 0.9832 0.2545 0.2440 0.1850 1078 VAL A CG2 1499 N N . GLN A 200 ? 0.9766 1.2678 1.1051 0.2868 0.3592 0.3203 1079 GLN A N 1500 C CA . GLN A 200 ? 0.9853 1.3329 1.1302 0.2730 0.3788 0.3489 1079 GLN A CA 1501 C C . GLN A 200 ? 1.0993 1.3459 1.1240 0.2530 0.3812 0.3070 1079 GLN A C 1502 O O . GLN A 200 ? 1.1680 1.3046 1.0995 0.2700 0.4056 0.2668 1079 GLN A O 1503 C CB . GLN A 200 ? 1.0386 1.4531 1.2632 0.3218 0.4536 0.4017 1079 GLN A CB 1504 C CG . GLN A 200 ? 1.2499 1.7578 1.5210 0.3011 0.4687 0.4439 1079 GLN A CG 1505 C CD . GLN A 200 ? 1.4830 2.0662 1.8428 0.3516 0.5501 0.5002 1079 GLN A CD 1506 O OE1 . GLN A 200 ? 1.4344 2.1000 1.8389 0.3362 0.5696 0.5384 1079 GLN A OE1 1507 N NE2 . GLN A 200 ? 1.3901 1.9481 1.7847 0.4137 0.6034 0.5104 1079 GLN A NE2 1508 N N . PHE A 201 ? 1.0170 1.3009 1.0410 0.2115 0.3537 0.3195 1080 PHE A N 1509 C CA . PHE A 201 ? 1.0637 1.2716 0.9866 0.1895 0.3524 0.2968 1080 PHE A CA 1510 C C . PHE A 201 ? 1.1085 1.3876 1.0666 0.1650 0.3667 0.3382 1080 PHE A C 1511 O O . PHE A 201 ? 1.0395 1.3965 1.0684 0.1305 0.3297 0.3622 1080 PHE A O 1512 C CB . PHE A 201 ? 1.0639 1.2036 0.9267 0.1562 0.2844 0.2580 1080 PHE A CB 1513 C CG . PHE A 201 ? 1.1652 1.2264 0.9220 0.1375 0.2801 0.2434 1080 PHE A CG 1514 C CD1 . PHE A 201 ? 1.2884 1.2570 0.9397 0.1502 0.2981 0.2112 1080 PHE A CD1 1515 C CD2 . PHE A 201 ? 1.2019 1.2802 0.9591 0.1022 0.2581 0.2650 1080 PHE A CD2 1516 C CE1 . PHE A 201 ? 1.3894 1.2958 0.9364 0.1270 0.2890 0.2053 1080 PHE A CE1 1517 C CE2 . PHE A 201 ? 1.3175 1.3283 0.9782 0.0857 0.2532 0.2621 1080 PHE A CE2 1518 C CZ . PHE A 201 ? 1.3741 1.3049 0.9296 0.0976 0.2656 0.2343 1080 PHE A CZ 1519 N N . ARG A 202 ? 1.1465 1.3933 1.0459 0.1761 0.4214 0.3442 1081 ARG A N 1520 C CA . ARG A 202 ? 1.1720 1.4798 1.0967 0.1501 0.4395 0.3843 1081 ARG A CA 1521 C C . ARG A 202 ? 1.2861 1.5111 1.1045 0.1115 0.4073 0.3662 1081 ARG A C 1522 O O . ARG A 202 ? 1.3769 1.5087 1.0807 0.1203 0.4261 0.3397 1081 ARG A O 1523 C CB . ARG A 202 ? 1.2518 1.5959 1.1967 0.1883 0.5306 0.4137 1081 ARG A CB 1524 C CG . ARG A 202 ? 1.3207 1.7565 1.3206 0.1594 0.5504 0.4649 1081 ARG A CG 1525 C CD . ARG A 202 ? 1.5719 2.0159 1.5577 0.1933 0.6471 0.4857 1081 ARG A CD 1526 N NE . ARG A 202 ? 1.6240 2.1952 1.7088 0.1696 0.6681 0.5473 1081 ARG A NE 1527 C CZ . ARG A 202 ? 1.7190 2.4298 1.9535 0.1931 0.7008 0.6016 1081 ARG A CZ 1528 N NH1 . ARG A 202 ? 1.5581 2.2917 1.8591 0.2481 0.7221 0.6046 1081 ARG A NH1 1529 N NH2 . ARG A 202 ? 1.4950 2.3274 1.8185 0.1607 0.7120 0.6589 1081 ARG A NH2 1530 N N . THR A 203 ? 1.1909 1.4475 1.0447 0.0657 0.3593 0.3832 1082 THR A N 1531 C CA . THR A 203 ? 1.2311 1.4165 1.0061 0.0301 0.3278 0.3797 1082 THR A CA 1532 C C . THR A 203 ? 1.3461 1.5150 1.0522 0.0288 0.3826 0.4029 1082 THR A C 1533 O O . THR A 203 ? 1.3341 1.5817 1.0966 0.0380 0.4389 0.4357 1082 THR A O 1534 C CB . THR A 203 ? 1.3166 1.5393 1.1551 -0.0184 0.2841 0.3985 1082 THR A CB 1535 O OG1 . THR A 203 ? 1.3912 1.7264 1.3215 -0.0338 0.3135 0.4395 1082 THR A OG1 1536 C CG2 . THR A 203 ? 1.1896 1.3981 1.0617 -0.0256 0.2290 0.3676 1082 THR A CG2 1537 N N . PRO A 204 ? 1.3753 1.4509 0.9630 0.0158 0.3674 0.3918 1083 PRO A N 1538 C CA . PRO A 204 ? 1.5232 1.5800 1.0290 0.0075 0.4198 0.4152 1083 PRO A CA 1539 C C . PRO A 204 ? 1.7273 1.8527 1.2935 -0.0262 0.4374 0.4664 1083 PRO A C 1540 O O . PRO A 204 ? 1.0644 1.2356 0.7204 -0.0529 0.3988 0.4812 1083 PRO A O 1541 C CB . PRO A 204 ? 1.6116 1.5655 0.9885 -0.0107 0.3767 0.4012 1083 PRO A CB 1542 C CG . PRO A 204 ? 1.5660 1.5023 0.9907 -0.0180 0.3004 0.3860 1083 PRO A CG 1543 C CD . PRO A 204 ? 1.3971 1.3896 0.9232 0.0070 0.3026 0.3639 1083 PRO A CD 1544 N N . PRO B 5 ? 1.3981 1.0506 1.5386 -0.4466 0.0805 -0.2022 884 PRO B N 1545 C CA . PRO B 5 ? 1.3380 1.0101 1.4748 -0.3963 0.0724 -0.1716 884 PRO B CA 1546 C C . PRO B 5 ? 1.3197 1.0735 1.4795 -0.3609 0.0541 -0.1837 884 PRO B C 1547 O O . PRO B 5 ? 1.3000 1.1421 1.4907 -0.3756 0.0466 -0.2013 884 PRO B O 1548 C CB . PRO B 5 ? 1.3310 1.0501 1.4812 -0.4143 0.0872 -0.1501 884 PRO B CB 1549 C CG . PRO B 5 ? 1.3963 1.1759 1.5825 -0.4644 0.0967 -0.1772 884 PRO B CG 1550 C CD . PRO B 5 ? 1.4064 1.1350 1.5806 -0.4903 0.0929 -0.2082 884 PRO B CD 1551 N N . MET B 6 ? 1.2105 0.9346 1.3544 -0.3162 0.0454 -0.1734 885 MET B N 1552 C CA . MET B 6 ? 1.1215 0.9119 1.2767 -0.2862 0.0316 -0.1815 885 MET B CA 1553 C C . MET B 6 ? 1.1231 0.9870 1.2985 -0.2691 0.0262 -0.1553 885 MET B C 1554 O O . MET B 6 ? 1.1290 0.9768 1.3034 -0.2660 0.0348 -0.1299 885 MET B O 1555 C CB . MET B 6 ? 1.1478 0.8850 1.2865 -0.2481 0.0287 -0.1837 885 MET B CB 1556 C CG . MET B 6 ? 1.2471 0.9272 1.3767 -0.2584 0.0326 -0.2209 885 MET B CG 1557 S SD . MET B 6 ? 1.2930 0.9377 1.4230 -0.2111 0.0312 -0.2365 885 MET B SD 1558 C CE . MET B 6 ? 1.1877 0.9406 1.3187 -0.2079 0.0277 -0.2537 885 MET B CE 1559 N N . MET B 7 ? 1.0409 0.9820 1.2313 -0.2602 0.0116 -0.1618 886 MET B N 1560 C CA . MET B 7 ? 0.9758 0.9826 1.1891 -0.2400 0.0024 -0.1385 886 MET B CA 1561 C C . MET B 7 ? 0.9644 0.9440 1.1608 -0.2001 0.0025 -0.1162 886 MET B C 1562 O O . MET B 7 ? 0.9868 0.9485 1.1639 -0.1842 -0.0006 -0.1252 886 MET B O 1563 C CB . MET B 7 ? 0.9965 1.0831 1.2244 -0.2441 -0.0195 -0.1487 886 MET B CB 1564 C CG . MET B 7 ? 1.0587 1.2067 1.3267 -0.2747 -0.0268 -0.1602 886 MET B CG 1565 S SD . MET B 7 ? 1.0966 1.2797 1.4171 -0.2755 -0.0143 -0.1431 886 MET B SD 1566 C CE . MET B 7 ? 1.0647 1.3439 1.4449 -0.3125 -0.0313 -0.1698 886 MET B CE 1567 N N . PRO B 8 ? 0.8487 0.8278 1.0537 -0.1860 0.0081 -0.0911 887 PRO B N 1568 C CA . PRO B 8 ? 0.8028 0.7591 0.9933 -0.1518 0.0064 -0.0723 887 PRO B CA 1569 C C . PRO B 8 ? 0.7778 0.7846 0.9739 -0.1314 -0.0073 -0.0684 887 PRO B C 1570 O O . PRO B 8 ? 0.7691 0.8331 0.9845 -0.1385 -0.0185 -0.0686 887 PRO B O 1571 C CB . PRO B 8 ? 0.8115 0.7626 1.0078 -0.1503 0.0164 -0.0513 887 PRO B CB 1572 C CG . PRO B 8 ? 0.8655 0.8696 1.0950 -0.1750 0.0209 -0.0594 887 PRO B CG 1573 C CD . PRO B 8 ? 0.8562 0.8600 1.0860 -0.2030 0.0184 -0.0833 887 PRO B CD 1574 N N . PRO B 9 ? 0.6855 0.6730 0.8663 -0.1072 -0.0080 -0.0634 888 PRO B N 1575 C CA . PRO B 9 ? 0.6407 0.6711 0.8198 -0.0940 -0.0179 -0.0565 888 PRO B CA 1576 C C . PRO B 9 ? 0.6447 0.7137 0.8444 -0.0856 -0.0266 -0.0335 888 PRO B C 1577 O O . PRO B 9 ? 0.6524 0.7145 0.8694 -0.0841 -0.0200 -0.0242 888 PRO B O 1578 C CB . PRO B 9 ? 0.6575 0.6576 0.8256 -0.0725 -0.0116 -0.0565 888 PRO B CB 1579 C CG . PRO B 9 ? 0.7655 0.7108 0.9291 -0.0748 -0.0040 -0.0726 888 PRO B CG 1580 C CD . PRO B 9 ? 0.7236 0.6510 0.8908 -0.0919 -0.0016 -0.0636 888 PRO B CD 1581 N N . VAL B 10 ? 0.5550 0.6629 0.7514 -0.0827 -0.0415 -0.0259 889 VAL B N 1582 C CA . VAL B 10 ? 0.5170 0.6568 0.7365 -0.0710 -0.0551 -0.0039 889 VAL B CA 1583 C C . VAL B 10 ? 0.5658 0.7037 0.7640 -0.0577 -0.0609 0.0129 889 VAL B C 1584 O O . VAL B 10 ? 0.5496 0.6740 0.7183 -0.0611 -0.0529 0.0039 889 VAL B O 1585 C CB . VAL B 10 ? 0.5488 0.7384 0.7914 -0.0831 -0.0767 -0.0053 889 VAL B CB 1586 C CG1 . VAL B 10 ? 0.5418 0.7412 0.8183 -0.0980 -0.0673 -0.0211 889 VAL B CG1 1587 C CG2 . VAL B 10 ? 0.5719 0.7786 0.7785 -0.1006 -0.0911 -0.0146 889 VAL B CG2 1588 N N . GLY B 11 ? 0.5283 0.6807 0.7446 -0.0448 -0.0740 0.0346 890 GLY B N 1589 C CA . GLY B 11 ? 0.5264 0.6720 0.7223 -0.0366 -0.0806 0.0544 890 GLY B CA 1590 C C . GLY B 11 ? 0.6285 0.7448 0.8082 -0.0308 -0.0607 0.0511 890 GLY B C 1591 O O . GLY B 11 ? 0.7234 0.8388 0.8736 -0.0370 -0.0585 0.0544 890 GLY B O 1592 N N . VAL B 12 ? 0.5394 0.6342 0.7369 -0.0218 -0.0464 0.0435 891 VAL B N 1593 C CA . VAL B 12 ? 0.5327 0.6026 0.7221 -0.0138 -0.0331 0.0398 891 VAL B CA 1594 C C . VAL B 12 ? 0.5667 0.6331 0.7587 -0.0051 -0.0353 0.0570 891 VAL B C 1595 O O . VAL B 12 ? 0.5800 0.6446 0.7912 0.0026 -0.0399 0.0679 891 VAL B O 1596 C CB . VAL B 12 ? 0.5806 0.6235 0.7782 -0.0096 -0.0235 0.0314 891 VAL B CB 1597 C CG1 . VAL B 12 ? 0.5653 0.5851 0.7558 0.0002 -0.0178 0.0270 891 VAL B CG1 1598 C CG2 . VAL B 12 ? 0.5927 0.6322 0.7885 -0.0227 -0.0216 0.0167 891 VAL B CG2 1599 N N . GLN B 13 ? 0.5212 0.5871 0.6979 -0.0079 -0.0297 0.0560 892 GLN B N 1600 C CA . GLN B 13 ? 0.5234 0.5822 0.7007 -0.0052 -0.0299 0.0706 892 GLN B CA 1601 C C . GLN B 13 ? 0.6359 0.6914 0.8160 -0.0031 -0.0181 0.0587 892 GLN B C 1602 O O . GLN B 13 ? 0.6814 0.7465 0.8601 -0.0049 -0.0107 0.0401 892 GLN B O 1603 C CB . GLN B 13 ? 0.5566 0.6244 0.7096 -0.0187 -0.0381 0.0873 892 GLN B CB 1604 C CG . GLN B 13 ? 0.5029 0.5722 0.6614 -0.0153 -0.0583 0.1056 892 GLN B CG 1605 C CD . GLN B 13 ? 0.6910 0.7452 0.8334 -0.0201 -0.0700 0.1322 892 GLN B CD 1606 O OE1 . GLN B 13 ? 0.7573 0.8162 0.8800 -0.0273 -0.0898 0.1500 892 GLN B OE1 1607 N N . ALA B 14 ? 0.5848 0.6286 0.7736 0.0008 -0.0175 0.0666 893 ALA B N 1608 C CA . ALA B 14 ? 0.5788 0.6270 0.7767 0.0012 -0.0105 0.0559 893 ALA B CA 1609 C C . ALA B 14 ? 0.6441 0.6988 0.8337 -0.0147 -0.0054 0.0651 893 ALA B C 1610 O O . ALA B 14 ? 0.6412 0.6775 0.8228 -0.0186 -0.0113 0.0844 893 ALA B O 1611 C CB . ALA B 14 ? 0.5719 0.6010 0.7812 0.0126 -0.0144 0.0546 893 ALA B CB 1612 N N . SER B 15 ? 0.6190 0.6994 0.8122 -0.0252 0.0064 0.0501 894 SER B N 1613 C CA . SER B 15 ? 0.6119 0.7013 0.7954 -0.0477 0.0165 0.0559 894 SER B CA 1614 C C . SER B 15 ? 0.6133 0.7228 0.8305 -0.0462 0.0228 0.0368 894 SER B C 1615 O O . SER B 15 ? 0.5980 0.7359 0.8403 -0.0371 0.0273 0.0126 894 SER B O 1616 C CB . SER B 15 ? 0.6855 0.7989 0.8423 -0.0693 0.0294 0.0510 894 SER B CB 1617 O OG . SER B 15 ? 0.9387 1.0491 1.0731 -0.0972 0.0382 0.0654 894 SER B OG 1618 N N . ILE B 16 ? 0.5436 0.6373 0.7659 -0.0531 0.0202 0.0457 895 ILE B N 1619 C CA . ILE B 16 ? 0.5064 0.6220 0.7616 -0.0546 0.0217 0.0280 895 ILE B CA 1620 C C . ILE B 16 ? 0.6266 0.7826 0.8930 -0.0813 0.0417 0.0143 895 ILE B C 1621 O O . ILE B 16 ? 0.6799 0.8236 0.9169 -0.1096 0.0532 0.0301 895 ILE B O 1622 C CB . ILE B 16 ? 0.5343 0.6184 0.7899 -0.0547 0.0121 0.0368 895 ILE B CB 1623 C CG1 . ILE B 16 ? 0.5038 0.5457 0.7409 -0.0370 0.0009 0.0522 895 ILE B CG1 1624 C CG2 . ILE B 16 ? 0.5419 0.6523 0.8314 -0.0498 0.0044 0.0154 895 ILE B CG2 1625 C CD1 . ILE B 16 ? 0.3624 0.4065 0.6020 -0.0137 -0.0081 0.0450 895 ILE B CD1 1626 N N . LEU B 17 ? 0.5577 0.7616 0.8680 -0.0727 0.0455 -0.0154 896 LEU B N 1627 C CA . LEU B 17 ? 0.5629 0.8209 0.8987 -0.0965 0.0690 -0.0389 896 LEU B CA 1628 C C . LEU B 17 ? 0.5873 0.8815 0.9730 -0.1030 0.0672 -0.0575 896 LEU B C 1629 O O . LEU B 17 ? 0.6260 0.9488 1.0191 -0.1370 0.0884 -0.0654 896 LEU B O 1630 C CB . LEU B 17 ? 0.5580 0.8539 0.9143 -0.0846 0.0806 -0.0662 896 LEU B CB 1631 C CG . LEU B 17 ? 0.6257 0.8951 0.9298 -0.0876 0.0856 -0.0530 896 LEU B CG 1632 C CD1 . LEU B 17 ? 0.6302 0.9321 0.9599 -0.0739 0.0960 -0.0861 896 LEU B CD1 1633 C CD2 . LEU B 17 ? 0.6472 0.9089 0.8972 -0.1279 0.1037 -0.0341 896 LEU B CD2 1634 N N . SER B 18 ? 0.5113 0.8055 0.9282 -0.0748 0.0415 -0.0642 897 SER B N 1635 C CA . SER B 18 ? 0.5039 0.8357 0.9695 -0.0793 0.0319 -0.0823 897 SER B CA 1636 C C . SER B 18 ? 0.5218 0.8187 0.9793 -0.0571 -0.0012 -0.0712 897 SER B C 1637 O O . SER B 18 ? 0.5169 0.7578 0.9278 -0.0447 -0.0096 -0.0484 897 SER B O 1638 C CB . SER B 18 ? 0.5485 0.9545 1.0866 -0.0670 0.0355 -0.1197 897 SER B CB 1639 O OG . SER B 18 ? 0.6127 1.0102 1.1696 -0.0244 0.0102 -0.1243 897 SER B OG 1640 N N . HIS B 19 ? 0.4653 0.8001 0.9686 -0.0538 -0.0201 -0.0894 898 HIS B N 1641 C CA . HIS B 19 ? 0.4714 0.7804 0.9632 -0.0360 -0.0545 -0.0821 898 HIS B CA 1642 C C . HIS B 19 ? 0.5559 0.8544 1.0526 0.0036 -0.0791 -0.0794 898 HIS B C 1643 O O . HIS B 19 ? 0.5826 0.8469 1.0513 0.0176 -0.1068 -0.0668 898 HIS B O 1644 C CB . HIS B 19 ? 0.4916 0.8525 1.0327 -0.0477 -0.0704 -0.1039 898 HIS B CB 1645 C CG . HIS B 19 ? 0.5187 0.9577 1.1406 -0.0350 -0.0736 -0.1336 898 HIS B CG 1646 N ND1 . HIS B 19 ? 0.5325 1.0274 1.1959 -0.0616 -0.0397 -0.1556 898 HIS B ND1 1647 C CD2 . HIS B 19 ? 0.5232 0.9898 1.1915 0.0016 -0.1059 -0.1449 898 HIS B CD2 1648 C CE1 . HIS B 19 ? 0.5042 1.0676 1.2466 -0.0393 -0.0494 -0.1853 898 HIS B CE1 1649 N NE2 . HIS B 19 ? 0.5075 1.0533 1.2577 0.0020 -0.0916 -0.1787 898 HIS B NE2 1650 N N . ASP B 20 ? 0.5228 0.8463 1.0506 0.0186 -0.0678 -0.0921 899 ASP B N 1651 C CA . ASP B 20 ? 0.5378 0.8465 1.0770 0.0551 -0.0902 -0.0922 899 ASP B CA 1652 C C . ASP B 20 ? 0.5788 0.8657 1.0987 0.0614 -0.0683 -0.0904 899 ASP B C 1653 O O . ASP B 20 ? 0.5813 0.8455 1.1066 0.0893 -0.0843 -0.0903 899 ASP B O 1654 C CB . ASP B 20 ? 0.5938 0.9651 1.2177 0.0774 -0.1117 -0.1210 899 ASP B CB 1655 C CG . ASP B 20 ? 0.8347 1.2750 1.5270 0.0743 -0.0816 -0.1573 899 ASP B CG 1656 O OD1 . ASP B 20 ? 0.8325 1.3027 1.5214 0.0381 -0.0464 -0.1657 899 ASP B OD1 1657 O OD2 . ASP B 20 ? 0.9833 1.4480 1.7343 0.1065 -0.0934 -0.1790 899 ASP B OD2 1658 N N . THR B 21 ? 0.5305 0.8182 1.0226 0.0340 -0.0346 -0.0871 900 THR B N 1659 C CA . THR B 21 ? 0.5195 0.7921 0.9879 0.0341 -0.0142 -0.0871 900 THR B CA 1660 C C . THR B 21 ? 0.5799 0.8060 0.9818 0.0160 -0.0035 -0.0585 900 THR B C 1661 O O . THR B 21 ? 0.5784 0.8020 0.9594 -0.0093 0.0077 -0.0467 900 THR B O 1662 C CB . THR B 21 ? 0.6676 1.0013 1.1788 0.0229 0.0141 -0.1201 900 THR B CB 1663 O OG1 . THR B 21 ? 0.7533 1.1312 1.3405 0.0492 -0.0001 -0.1502 900 THR B OG1 1664 C CG2 . THR B 21 ? 0.6320 0.9550 1.1156 0.0194 0.0352 -0.1257 900 THR B CG2 1665 N N . ILE B 22 ? 0.5430 0.7319 0.9165 0.0294 -0.0082 -0.0485 901 ILE B N 1666 C CA . ILE B 22 ? 0.5222 0.6752 0.8451 0.0182 -0.0014 -0.0260 901 ILE B CA 1667 C C . ILE B 22 ? 0.5416 0.6967 0.8566 0.0206 0.0090 -0.0368 901 ILE B C 1668 O O . ILE B 22 ? 0.5093 0.6556 0.8420 0.0410 0.0003 -0.0494 901 ILE B O 1669 C CB . ILE B 22 ? 0.5643 0.6706 0.8600 0.0277 -0.0189 -0.0043 901 ILE B CB 1670 C CG1 . ILE B 22 ? 0.5736 0.6772 0.8719 0.0215 -0.0273 0.0013 901 ILE B CG1 1671 C CG2 . ILE B 22 ? 0.5619 0.6422 0.8211 0.0194 -0.0124 0.0139 901 ILE B CG2 1672 C CD1 . ILE B 22 ? 0.5505 0.6149 0.8218 0.0275 -0.0402 0.0149 901 ILE B CD1 1673 N N . ARG B 23 ? 0.5337 0.6960 0.8183 -0.0019 0.0255 -0.0314 902 ARG B N 1674 C CA . ARG B 23 ? 0.5385 0.7024 0.8051 -0.0056 0.0345 -0.0419 902 ARG B CA 1675 C C . ARG B 23 ? 0.6183 0.7439 0.8532 -0.0017 0.0212 -0.0201 902 ARG B C 1676 O O . ARG B 23 ? 0.6242 0.7341 0.8360 -0.0101 0.0149 0.0055 902 ARG B O 1677 C CB . ARG B 23 ? 0.5507 0.7436 0.7919 -0.0359 0.0561 -0.0465 902 ARG B CB 1678 C CG . ARG B 23 ? 0.6281 0.8471 0.8733 -0.0400 0.0739 -0.0802 902 ARG B CG 1679 C CD . ARG B 23 ? 0.7383 0.9681 0.9283 -0.0748 0.0880 -0.0719 902 ARG B CD 1680 N NE . ARG B 23 ? 0.9320 1.1768 1.1055 -0.0835 0.1020 -0.1004 902 ARG B NE 1681 C CZ . ARG B 23 ? 1.1646 1.4088 1.2773 -0.1112 0.1048 -0.0908 902 ARG B CZ 1682 N NH1 . ARG B 23 ? 0.9512 1.1772 1.0177 -0.1293 0.0914 -0.0497 902 ARG B NH1 1683 N NH2 . ARG B 23 ? 1.0324 1.2917 1.1292 -0.1212 0.1187 -0.1228 902 ARG B NH2 1684 N N . ILE B 24 ? 0.5768 0.6875 0.8161 0.0108 0.0169 -0.0322 903 ILE B N 1685 C CA . ILE B 24 ? 0.5675 0.6501 0.7831 0.0101 0.0075 -0.0175 903 ILE B CA 1686 C C . ILE B 24 ? 0.6279 0.7240 0.8208 -0.0060 0.0155 -0.0290 903 ILE B C 1687 O O . ILE B 24 ? 0.6227 0.7342 0.8236 -0.0079 0.0279 -0.0574 903 ILE B O 1688 C CB . ILE B 24 ? 0.6080 0.6554 0.8343 0.0278 -0.0039 -0.0180 903 ILE B CB 1689 C CG1 . ILE B 24 ? 0.5972 0.6324 0.8360 0.0404 -0.0147 -0.0069 903 ILE B CG1 1690 C CG2 . ILE B 24 ? 0.6204 0.6463 0.8258 0.0205 -0.0085 -0.0063 903 ILE B CG2 1691 C CD1 . ILE B 24 ? 0.5698 0.6070 0.7961 0.0315 -0.0154 0.0138 903 ILE B CD1 1692 N N . THR B 25 ? 0.5925 0.6868 0.7592 -0.0182 0.0076 -0.0092 904 THR B N 1693 C CA . THR B 25 ? 0.6161 0.7249 0.7547 -0.0365 0.0088 -0.0172 904 THR B CA 1694 C C . THR B 25 ? 0.6820 0.7775 0.8194 -0.0355 -0.0061 -0.0063 904 THR B C 1695 O O . THR B 25 ? 0.6762 0.7583 0.8280 -0.0251 -0.0153 0.0132 904 THR B O 1696 C CB . THR B 25 ? 0.7089 0.8381 0.8125 -0.0582 0.0095 -0.0018 904 THR B CB 1697 O OG1 . THR B 25 ? 0.6949 0.8100 0.7988 -0.0533 -0.0067 0.0318 904 THR B OG1 1698 C CG2 . THR B 25 ? 0.7233 0.8737 0.8265 -0.0683 0.0308 -0.0168 904 THR B CG2 1699 N N . TRP B 26 ? 0.6354 0.7380 0.7580 -0.0486 -0.0064 -0.0233 905 TRP B N 1700 C CA . TRP B 26 ? 0.6260 0.7255 0.7521 -0.0531 -0.0194 -0.0187 905 TRP B CA 1701 C C . TRP B 26 ? 0.6986 0.8197 0.7962 -0.0760 -0.0232 -0.0345 905 TRP B C 1702 O O . TRP B 26 ? 0.7284 0.8634 0.7990 -0.0888 -0.0125 -0.0503 905 TRP B O 1703 C CB . TRP B 26 ? 0.6102 0.6766 0.7595 -0.0429 -0.0143 -0.0301 905 TRP B CB 1704 C CG . TRP B 26 ? 0.6493 0.6975 0.7993 -0.0418 -0.0019 -0.0608 905 TRP B CG 1705 C CD1 . TRP B 26 ? 0.7183 0.7612 0.8595 -0.0561 0.0019 -0.0868 905 TRP B CD1 1706 C CD2 . TRP B 26 ? 0.6543 0.6897 0.8208 -0.0241 0.0073 -0.0723 905 TRP B CD2 1707 N NE1 . TRP B 26 ? 0.7207 0.7432 0.8731 -0.0463 0.0145 -0.1150 905 TRP B NE1 1708 C CE2 . TRP B 26 ? 0.7257 0.7461 0.8975 -0.0248 0.0166 -0.1061 905 TRP B CE2 1709 C CE3 . TRP B 26 ? 0.6564 0.6927 0.8390 -0.0073 0.0070 -0.0597 905 TRP B CE3 1710 C CZ2 . TRP B 26 ? 0.7368 0.7452 0.9368 -0.0047 0.0242 -0.1272 905 TRP B CZ2 1711 C CZ3 . TRP B 26 ? 0.6817 0.7117 0.8898 0.0095 0.0130 -0.0797 905 TRP B CZ3 1712 C CH2 . TRP B 26 ? 0.7181 0.7356 0.9381 0.0128 0.0210 -0.1130 905 TRP B CH2 1713 N N . ALA B 27 ? 0.6321 0.7601 0.7366 -0.0842 -0.0371 -0.0332 906 ALA B N 1714 C CA . ALA B 27 ? 0.6581 0.8083 0.7397 -0.1083 -0.0462 -0.0495 906 ALA B CA 1715 C C . ALA B 27 ? 0.7409 0.8711 0.8446 -0.1130 -0.0400 -0.0721 906 ALA B C 1716 O O . ALA B 27 ? 0.6708 0.7789 0.8047 -0.1003 -0.0367 -0.0625 906 ALA B O 1717 C CB . ALA B 27 ? 0.6608 0.8436 0.7389 -0.1145 -0.0754 -0.0230 906 ALA B CB 1718 N N . ASP B 28 ? 0.7959 0.9294 0.8796 -0.1347 -0.0364 -0.1030 907 ASP B N 1719 C CA . ASP B 28 ? 0.8475 0.9562 0.9474 -0.1456 -0.0308 -0.1258 907 ASP B CA 1720 C C . ASP B 28 ? 1.0287 1.1773 1.1204 -0.1737 -0.0501 -0.1334 907 ASP B C 1721 O O . ASP B 28 ? 1.0791 1.2532 1.1334 -0.1924 -0.0563 -0.1481 907 ASP B O 1722 C CB . ASP B 28 ? 0.9002 0.9705 0.9916 -0.1453 -0.0093 -0.1623 907 ASP B CB 1723 C CG . ASP B 28 ? 1.0444 1.0700 1.1491 -0.1566 -0.0023 -0.1861 907 ASP B CG 1724 O OD1 . ASP B 28 ? 1.0531 1.0811 1.1720 -0.1699 -0.0111 -0.1752 907 ASP B OD1 1725 O OD2 . ASP B 28 ? 1.1327 1.1188 1.2377 -0.1518 0.0129 -0.2161 907 ASP B OD2 1726 N N . ASN B 29 ? 1.0457 1.2059 1.1716 -0.1788 -0.0600 -0.1241 908 ASN B N 1727 C CA . ASN B 29 ? 1.1011 1.3092 1.2321 -0.2048 -0.0823 -0.1325 908 ASN B CA 1728 C C . ASN B 29 ? 1.2274 1.4266 1.3360 -0.2372 -0.0766 -0.1740 908 ASN B C 1729 O O . ASN B 29 ? 1.2687 1.5108 1.3539 -0.2605 -0.0971 -0.1853 908 ASN B O 1730 C CB . ASN B 29 ? 1.0789 1.3147 1.2637 -0.2020 -0.0924 -0.1163 908 ASN B CB 1731 C CG . ASN B 29 ? 1.1440 1.4131 1.3483 -0.1771 -0.1120 -0.0815 908 ASN B CG 1732 O OD1 . ASN B 29 ? 1.2313 1.5073 1.4016 -0.1677 -0.1254 -0.0648 908 ASN B OD1 1733 N ND2 . ASN B 29 ? 0.6024 0.8893 0.8614 -0.1683 -0.1113 -0.0719 908 ASN B ND2 1734 N N . SER B 30 ? 1.1776 1.3161 1.2879 -0.2378 -0.0505 -0.1964 909 SER B N 1735 C CA . SER B 30 ? 1.0442 1.1563 1.1366 -0.2656 -0.0399 -0.2402 909 SER B CA 1736 C C . SER B 30 ? 1.3095 1.4265 1.3558 -0.2711 -0.0333 -0.2682 909 SER B C 1737 O O . SER B 30 ? 0.9142 1.0756 0.9317 -0.2695 -0.0459 -0.2536 909 SER B O 1738 C CB . SER B 30 ? 1.0950 1.1295 1.2050 -0.2600 -0.0173 -0.2498 909 SER B CB 1739 O OG . SER B 30 ? 1.0757 1.0787 1.2007 -0.2261 -0.0098 -0.2185 909 SER B OG 1740 N N . LYS B 36 ? 1.5538 1.7784 1.3858 -0.2765 0.0323 -0.2948 915 LYS B N 1741 C CA . LYS B 36 ? 1.5846 1.8027 1.4170 -0.2794 0.0737 -0.3510 915 LYS B CA 1742 C C . LYS B 36 ? 1.6270 1.7982 1.5146 -0.2623 0.0886 -0.3939 915 LYS B C 1743 O O . LYS B 36 ? 1.6376 1.7970 1.5151 -0.2827 0.0789 -0.4154 915 LYS B O 1744 C CB . LYS B 36 ? 1.6892 1.9452 1.4404 -0.3257 0.0860 -0.3831 915 LYS B CB 1745 C CG . LYS B 36 ? 1.8275 2.1175 1.5220 -0.3419 0.0855 -0.3480 915 LYS B CG 1746 C CD . LYS B 36 ? 2.0247 2.3475 1.6367 -0.3894 0.1107 -0.3885 915 LYS B CD 1747 C CE . LYS B 36 ? 2.1920 2.5412 1.7109 -0.4258 0.0795 -0.3411 915 LYS B CE 1748 N NZ . LYS B 36 ? 2.3945 2.7741 1.8177 -0.4795 0.1045 -0.3804 915 LYS B NZ 1749 N N . ILE B 37 ? 1.5612 1.7034 1.5079 -0.2253 0.1092 -0.4049 916 ILE B N 1750 C CA . ILE B 37 ? 1.5663 1.6517 1.5682 -0.2026 0.1202 -0.4397 916 ILE B CA 1751 C C . ILE B 37 ? 1.6839 1.7703 1.6769 -0.2188 0.1526 -0.5125 916 ILE B C 1752 O O . ILE B 37 ? 1.7051 1.8250 1.6974 -0.2183 0.1813 -0.5421 916 ILE B O 1753 C CB . ILE B 37 ? 1.5540 1.6042 1.6235 -0.1541 0.1208 -0.4199 916 ILE B CB 1754 C CG1 . ILE B 37 ? 1.4899 1.5457 1.5632 -0.1402 0.0943 -0.3523 916 ILE B CG1 1755 C CG2 . ILE B 37 ? 1.5820 1.5591 1.6982 -0.1334 0.1215 -0.4452 916 ILE B CG2 1756 C CD1 . ILE B 37 ? 1.5532 1.6510 1.6251 -0.1304 0.0999 -0.3281 916 ILE B CD1 1757 N N . THR B 38 ? 1.6690 1.7204 1.6572 -0.2360 0.1503 -0.5448 917 THR B N 1758 C CA . THR B 38 ? 1.7324 1.7734 1.7148 -0.2529 0.1803 -0.6203 917 THR B CA 1759 C C . THR B 38 ? 1.7768 1.7344 1.8233 -0.2246 0.1832 -0.6465 917 THR B C 1760 O O . THR B 38 ? 1.8340 1.7685 1.9038 -0.2203 0.2111 -0.7117 917 THR B O 1761 C CB . THR B 38 ? 1.8739 1.9500 1.7777 -0.3090 0.1742 -0.6406 917 THR B CB 1762 O OG1 . THR B 38 ? 1.8289 1.8925 1.7245 -0.3219 0.1370 -0.5998 917 THR B OG1 1763 C CG2 . THR B 38 ? 1.8685 2.0182 1.7013 -0.3380 0.1778 -0.6270 917 THR B CG2 1764 N N . ASP B 39 ? 1.6624 1.5720 1.7367 -0.2055 0.1551 -0.5957 918 ASP B N 1765 C CA . ASP B 39 ? 1.6708 1.4890 1.7932 -0.1834 0.1511 -0.6058 918 ASP B CA 1766 C C . ASP B 39 ? 1.6118 1.3874 1.7971 -0.1287 0.1460 -0.5814 918 ASP B C 1767 O O . ASP B 39 ? 1.5517 1.3751 1.7530 -0.1059 0.1507 -0.5666 918 ASP B O 1768 C CB . ASP B 39 ? 1.7044 1.4892 1.8057 -0.2123 0.1273 -0.5776 918 ASP B CB 1769 C CG . ASP B 39 ? 1.7716 1.5895 1.8611 -0.2131 0.1010 -0.5070 918 ASP B CG 1770 O OD1 . ASP B 39 ? 1.7321 1.5393 1.8497 -0.1773 0.0941 -0.4670 918 ASP B OD1 1771 O OD2 . ASP B 39 ? 1.8481 1.6999 1.9057 -0.2492 0.0862 -0.4945 918 ASP B OD2 1772 N N . SER B 40 ? 1.5536 1.2363 1.7707 -0.1113 0.1342 -0.5765 919 SER B N 1773 C CA . SER B 40 ? 1.5209 1.1424 1.7921 -0.0617 0.1207 -0.5521 919 SER B CA 1774 C C . SER B 40 ? 1.4349 1.0591 1.6968 -0.0509 0.0945 -0.4771 919 SER B C 1775 O O . SER B 40 ? 1.4244 0.9932 1.7196 -0.0149 0.0779 -0.4513 919 SER B O 1776 C CB . SER B 40 ? 1.6630 1.1731 1.9589 -0.0537 0.1164 -0.5754 919 SER B CB 1777 O OG . SER B 40 ? 1.8111 1.2707 2.0697 -0.0870 0.1009 -0.5424 919 SER B OG 1778 N N . ARG B 41 ? 1.3016 0.9884 1.5197 -0.0807 0.0888 -0.4433 920 ARG B N 1779 C CA . ARG B 41 ? 1.2199 0.9127 1.4314 -0.0715 0.0681 -0.3791 920 ARG B CA 1780 C C . ARG B 41 ? 1.1706 0.8941 1.4116 -0.0330 0.0651 -0.3603 920 ARG B C 1781 O O . ARG B 41 ? 1.1394 0.9146 1.3956 -0.0242 0.0818 -0.3910 920 ARG B O 1782 C CB . ARG B 41 ? 1.1611 0.9118 1.3312 -0.1081 0.0612 -0.3509 920 ARG B CB 1783 C CG . ARG B 41 ? 1.1874 1.0275 1.3394 -0.1125 0.0655 -0.3458 920 ARG B CG 1784 C CD . ARG B 41 ? 1.1540 1.0443 1.2714 -0.1452 0.0529 -0.3219 920 ARG B CD 1785 N NE . ARG B 41 ? 1.1608 1.0463 1.2578 -0.1819 0.0541 -0.3543 920 ARG B NE 1786 C CZ . ARG B 41 ? 1.3398 1.2576 1.4195 -0.2121 0.0388 -0.3394 920 ARG B CZ 1787 N NH1 . ARG B 41 ? 1.1693 1.1241 1.2528 -0.2068 0.0225 -0.2933 920 ARG B NH1 1788 N NH2 . ARG B 41 ? 1.1496 1.0648 1.2138 -0.2475 0.0392 -0.3736 920 ARG B NH2 1789 N N . TYR B 42 ? 1.0969 0.7896 1.3436 -0.0146 0.0452 -0.3119 921 TYR B N 1790 C CA . TYR B 42 ? 1.0491 0.7696 1.3199 0.0173 0.0369 -0.2877 921 TYR B CA 1791 C C . TYR B 42 ? 1.0635 0.7893 1.3075 0.0098 0.0211 -0.2322 921 TYR B C 1792 O O . TYR B 42 ? 1.0927 0.7750 1.3121 -0.0092 0.0135 -0.2107 921 TYR B O 1793 C CB . TYR B 42 ? 1.1067 0.7731 1.4277 0.0598 0.0262 -0.2983 921 TYR B CB 1794 C CG . TYR B 42 ? 1.1804 0.7507 1.4935 0.0690 0.0014 -0.2647 921 TYR B CG 1795 C CD1 . TYR B 42 ? 1.2748 0.7625 1.5867 0.0622 0.0007 -0.2844 921 TYR B CD1 1796 C CD2 . TYR B 42 ? 1.1761 0.7320 1.4817 0.0846 -0.0218 -0.2156 921 TYR B CD2 1797 C CE1 . TYR B 42 ? 1.3257 0.7147 1.6240 0.0683 -0.0228 -0.2506 921 TYR B CE1 1798 C CE2 . TYR B 42 ? 1.2538 0.7168 1.5416 0.0899 -0.0453 -0.1828 921 TYR B CE2 1799 C CZ . TYR B 42 ? 1.4108 0.7878 1.6939 0.0816 -0.0462 -0.1983 921 TYR B CZ 1800 O OH . TYR B 42 ? 1.4530 0.7282 1.7087 0.0812 -0.0695 -0.1621 921 TYR B OH 1801 N N . TYR B 43 ? 0.9548 0.7342 1.2049 0.0221 0.0189 -0.2125 922 TYR B N 1802 C CA . TYR B 43 ? 0.9019 0.6919 1.1316 0.0179 0.0068 -0.1659 922 TYR B CA 1803 C C . TYR B 43 ? 0.9507 0.7100 1.2000 0.0485 -0.0102 -0.1444 922 TYR B C 1804 O O . TYR B 43 ? 0.9762 0.7415 1.2646 0.0762 -0.0121 -0.1642 922 TYR B O 1805 C CB . TYR B 43 ? 0.8687 0.7350 1.0869 0.0065 0.0142 -0.1579 922 TYR B CB 1806 C CG . TYR B 43 ? 0.9223 0.8240 1.1166 -0.0236 0.0252 -0.1783 922 TYR B CG 1807 C CD1 . TYR B 43 ? 0.9595 0.8619 1.1307 -0.0491 0.0192 -0.1641 922 TYR B CD1 1808 C CD2 . TYR B 43 ? 0.9442 0.8821 1.1392 -0.0288 0.0415 -0.2146 922 TYR B CD2 1809 C CE1 . TYR B 43 ? 1.0040 0.9411 1.1536 -0.0771 0.0229 -0.1830 922 TYR B CE1 1810 C CE2 . TYR B 43 ? 0.9796 0.9483 1.1419 -0.0602 0.0483 -0.2330 922 TYR B CE2 1811 C CZ . TYR B 43 ? 1.1165 1.0836 1.2563 -0.0832 0.0359 -0.2161 922 TYR B CZ 1812 O OH . TYR B 43 ? 1.1535 1.1548 1.2614 -0.1144 0.0364 -0.2334 922 TYR B OH 1813 N N . THR B 44 ? 0.8702 0.6009 1.0938 0.0425 -0.0227 -0.1062 923 THR B N 1814 C CA . THR B 44 ? 0.8639 0.5663 1.0922 0.0659 -0.0428 -0.0802 923 THR B CA 1815 C C . THR B 44 ? 0.8490 0.5975 1.0607 0.0581 -0.0424 -0.0535 923 THR B C 1816 O O . THR B 44 ? 0.8314 0.5870 1.0150 0.0336 -0.0350 -0.0383 923 THR B O 1817 C CB . THR B 44 ? 1.0343 0.6467 1.2401 0.0651 -0.0589 -0.0615 923 THR B CB 1818 O OG1 . THR B 44 ? 1.1549 0.7241 1.3804 0.0705 -0.0561 -0.0922 923 THR B OG1 1819 C CG2 . THR B 44 ? 1.0099 0.5887 1.2155 0.0906 -0.0866 -0.0343 923 THR B CG2 1820 N N . VAL B 45 ? 0.7762 0.5607 1.0121 0.0784 -0.0486 -0.0531 924 VAL B N 1821 C CA . VAL B 45 ? 0.7290 0.5511 0.9529 0.0728 -0.0488 -0.0314 924 VAL B CA 1822 C C . VAL B 45 ? 0.8170 0.5987 1.0264 0.0843 -0.0713 -0.0057 924 VAL B C 1823 O O . VAL B 45 ? 0.8394 0.5948 1.0706 0.1083 -0.0907 -0.0093 924 VAL B O 1824 C CB . VAL B 45 ? 0.7087 0.5960 0.9631 0.0800 -0.0400 -0.0473 924 VAL B CB 1825 C CG1 . VAL B 45 ? 0.6538 0.5699 0.8949 0.0721 -0.0402 -0.0255 924 VAL B CG1 1826 C CG2 . VAL B 45 ? 0.6972 0.6192 0.9539 0.0652 -0.0192 -0.0726 924 VAL B CG2 1827 N N . ARG B 46 ? 0.7527 0.5306 0.9264 0.0673 -0.0700 0.0183 925 ARG B N 1828 C CA . ARG B 46 ? 0.7729 0.5164 0.9197 0.0715 -0.0898 0.0423 925 ARG B CA 1829 C C . ARG B 46 ? 0.8066 0.5919 0.9473 0.0653 -0.0851 0.0499 925 ARG B C 1830 O O . ARG B 46 ? 0.7693 0.5906 0.9120 0.0512 -0.0650 0.0458 925 ARG B O 1831 C CB . ARG B 46 ? 0.8103 0.4896 0.9070 0.0514 -0.0914 0.0622 925 ARG B CB 1832 C CG . ARG B 46 ? 0.8154 0.5151 0.8899 0.0212 -0.0660 0.0651 925 ARG B CG 1833 C CD . ARG B 46 ? 0.8876 0.5303 0.9101 -0.0036 -0.0644 0.0845 925 ARG B CD 1834 N NE . ARG B 46 ? 0.8696 0.5439 0.8838 -0.0315 -0.0374 0.0813 925 ARG B NE 1835 C CZ . ARG B 46 ? 1.0532 0.6964 1.0252 -0.0625 -0.0244 0.0925 925 ARG B CZ 1836 N NH1 . ARG B 46 ? 0.9496 0.5181 0.8713 -0.0727 -0.0379 0.1132 925 ARG B NH1 1837 N NH2 . ARG B 46 ? 0.6249 0.3109 0.6061 -0.0845 0.0017 0.0829 925 ARG B NH2 1838 N N . TRP B 47 ? 0.7800 0.5584 0.9150 0.0766 -0.1067 0.0605 926 TRP B N 1839 C CA . TRP B 47 ? 0.7440 0.5548 0.8719 0.0699 -0.1045 0.0646 926 TRP B CA 1840 C C . TRP B 47 ? 0.8649 0.6425 0.9550 0.0697 -0.1296 0.0830 926 TRP B C 1841 O O . TRP B 47 ? 0.8873 0.6279 0.9734 0.0850 -0.1580 0.0924 926 TRP B O 1842 C CB . TRP B 47 ? 0.6740 0.5425 0.8521 0.0820 -0.1017 0.0465 926 TRP B CB 1843 C CG . TRP B 47 ? 0.7066 0.5837 0.9249 0.1072 -0.1251 0.0366 926 TRP B CG 1844 C CD1 . TRP B 47 ? 0.7512 0.6407 0.9810 0.1175 -0.1500 0.0395 926 TRP B CD1 1845 C CD2 . TRP B 47 ? 0.7106 0.5867 0.9689 0.1262 -0.1275 0.0186 926 TRP B CD2 1846 N NE1 . TRP B 47 ? 0.7585 0.6587 1.0398 0.1446 -0.1698 0.0255 926 TRP B NE1 1847 C CE2 . TRP B 47 ? 0.7728 0.6632 1.0736 0.1514 -0.1546 0.0111 926 TRP B CE2 1848 C CE3 . TRP B 47 ? 0.7182 0.5852 0.9837 0.1240 -0.1095 0.0044 926 TRP B CE3 1849 C CZ2 . TRP B 47 ? 0.7696 0.6669 1.1272 0.1776 -0.1615 -0.0125 926 TRP B CZ2 1850 C CZ3 . TRP B 47 ? 0.7459 0.6140 1.0581 0.1466 -0.1148 -0.0193 926 TRP B CZ3 1851 C CH2 . TRP B 47 ? 0.7678 0.6512 1.1288 0.1746 -0.1392 -0.0286 926 TRP B CH2 1852 N N . LYS B 48 ? 0.8355 0.6253 0.8974 0.0525 -0.1207 0.0872 927 LYS B N 1853 C CA . LYS B 48 ? 0.8775 0.6438 0.8927 0.0445 -0.1407 0.1015 927 LYS B CA 1854 C C . LYS B 48 ? 0.9752 0.7800 0.9922 0.0326 -0.1257 0.0902 927 LYS B C 1855 O O . LYS B 48 ? 0.9130 0.7435 0.9505 0.0256 -0.0971 0.0789 927 LYS B O 1856 C CB . LYS B 48 ? 0.9391 0.6455 0.8841 0.0219 -0.1386 0.1217 927 LYS B CB 1857 C CG . LYS B 48 ? 0.8738 0.5876 0.7918 -0.0073 -0.1009 0.1160 927 LYS B CG 1858 C CD . LYS B 48 ? 1.1064 0.7647 0.9488 -0.0363 -0.0974 0.1346 927 LYS B CD 1859 C CE . LYS B 48 ? 1.2911 0.9659 1.1030 -0.0669 -0.0625 0.1237 927 LYS B CE 1860 N NZ . LYS B 48 ? 1.4831 1.1756 1.3204 -0.0806 -0.0269 0.1113 927 LYS B NZ 1861 N N . THR B 49 ? 1.0547 0.8608 1.0508 0.0303 -0.1475 0.0930 928 THR B N 1862 C CA . THR B 49 ? 1.0709 0.9050 1.0652 0.0162 -0.1332 0.0794 928 THR B CA 1863 C C . THR B 49 ? 1.2445 1.0538 1.1842 -0.0099 -0.1076 0.0805 928 THR B C 1864 O O . THR B 49 ? 1.3027 1.0708 1.1839 -0.0233 -0.1144 0.0961 928 THR B O 1865 C CB . THR B 49 ? 1.1831 1.0293 1.1698 0.0169 -0.1645 0.0777 928 THR B CB 1866 O OG1 . THR B 49 ? 1.3327 1.1349 1.2451 0.0027 -0.1838 0.0953 928 THR B OG1 1867 C CG2 . THR B 49 ? 1.1534 1.0272 1.1965 0.0426 -0.1943 0.0751 928 THR B CG2 1868 N N . ASN B 50 ? 1.2413 1.0748 1.2014 -0.0178 -0.0782 0.0632 929 ASN B N 1869 C CA . ASN B 50 ? 1.2903 1.1149 1.2199 -0.0395 -0.0476 0.0536 929 ASN B CA 1870 C C . ASN B 50 ? 1.4625 1.2603 1.3162 -0.0640 -0.0542 0.0551 929 ASN B C 1871 O O . ASN B 50 ? 1.4948 1.2705 1.3004 -0.0864 -0.0349 0.0568 929 ASN B O 1872 C CB . ASN B 50 ? 1.2456 1.1000 1.2223 -0.0361 -0.0251 0.0329 929 ASN B CB 1873 C CG . ASN B 50 ? 1.4099 1.2710 1.4026 -0.0422 0.0082 0.0216 929 ASN B CG 1874 O OD1 . ASN B 50 ? 1.2303 1.0982 1.2471 -0.0357 0.0146 0.0283 929 ASN B OD1 1875 N ND2 . ASN B 50 ? 1.2613 1.1245 1.2473 -0.0544 0.0297 0.0000 929 ASN B ND2 1876 N N . ILE B 51 ? 1.4747 1.2775 1.3166 -0.0627 -0.0816 0.0535 930 ILE B N 1877 C CA . ILE B 51 ? 1.5640 1.3474 1.3323 -0.0863 -0.0966 0.0536 930 ILE B CA 1878 C C . ILE B 51 ? 1.6830 1.4641 1.4463 -0.0721 -0.1498 0.0716 930 ILE B C 1879 O O . ILE B 51 ? 1.6140 1.4306 1.4434 -0.0512 -0.1639 0.0637 930 ILE B O 1880 C CB . ILE B 51 ? 1.5995 1.4026 1.3706 -0.1019 -0.0729 0.0212 930 ILE B CB 1881 C CG1 . ILE B 51 ? 1.5835 1.3893 1.3656 -0.1123 -0.0233 0.0008 930 ILE B CG1 1882 C CG2 . ILE B 51 ? 1.6874 1.4768 1.3827 -0.1282 -0.0914 0.0160 930 ILE B CG2 1883 C CD1 . ILE B 51 ? 1.4936 1.3264 1.3606 -0.0912 -0.0042 -0.0140 930 ILE B CD1 1884 N N . PRO B 52 ? 1.7755 1.5176 1.4633 -0.0841 -0.1812 0.0951 931 PRO B N 1885 C CA . PRO B 52 ? 1.8720 1.5671 1.4653 -0.1169 -0.1669 0.1081 931 PRO B CA 1886 C C . PRO B 52 ? 1.9469 1.6220 1.5509 -0.1172 -0.1359 0.1167 931 PRO B C 1887 O O . PRO B 52 ? 1.9000 1.5816 1.5676 -0.0884 -0.1430 0.1239 931 PRO B O 1888 C CB . PRO B 52 ? 1.9825 1.6393 1.5070 -0.1203 -0.2232 0.1397 931 PRO B CB 1889 C CG . PRO B 52 ? 1.9822 1.6632 1.5880 -0.0781 -0.2648 0.1466 931 PRO B CG 1890 C CD . PRO B 52 ? 1.8253 1.5684 1.5182 -0.0657 -0.2385 0.1121 931 PRO B CD 1891 N N . ALA B 53 ? 1.9544 1.6112 1.4999 -0.1524 -0.0981 0.1107 932 ALA B N 1892 C CA . ALA B 53 ? 1.9397 1.5838 1.4940 -0.1607 -0.0651 0.1145 932 ALA B CA 1893 C C . ALA B 53 ? 2.0296 1.6159 1.5477 -0.1583 -0.0953 0.1532 932 ALA B C 1894 O O . ALA B 53 ? 1.9892 1.5691 1.5431 -0.1521 -0.0800 0.1567 932 ALA B O 1895 C CB . ALA B 53 ? 1.9960 1.6407 1.4973 -0.2030 -0.0172 0.0950 932 ALA B CB 1896 N N . ASN B 54 ? 2.0520 1.5945 1.5016 -0.1621 -0.1421 0.1816 933 ASN B N 1897 C CA . ASN B 54 ? 2.1143 1.5875 1.5194 -0.1585 -0.1814 0.2229 933 ASN B CA 1898 C C . ASN B 54 ? 2.0651 1.5406 1.5540 -0.1075 -0.2208 0.2317 933 ASN B C 1899 O O . ASN B 54 ? 2.1394 1.5529 1.6006 -0.0983 -0.2581 0.2642 933 ASN B O 1900 C CB . ASN B 54 ? 2.2635 1.6884 1.5568 -0.1836 -0.2202 0.2510 933 ASN B CB 1901 C CG . ASN B 54 ? 2.6928 2.1011 1.8831 -0.2416 -0.1804 0.2458 933 ASN B CG 1902 O OD1 . ASN B 54 ? 2.6320 2.0900 1.8251 -0.2578 -0.1467 0.2100 933 ASN B OD1 1903 N ND2 . ASN B 54 ? 2.6854 2.0208 1.7814 -0.2763 -0.1818 0.2797 933 ASN B ND2 1904 N N . THR B 55 ? 1.8444 1.3871 1.4332 -0.0763 -0.2116 0.2025 934 THR B N 1905 C CA . THR B 55 ? 1.7518 1.3094 1.4241 -0.0316 -0.2413 0.2021 934 THR B CA 1906 C C . THR B 55 ? 1.6908 1.2113 1.3858 -0.0215 -0.2336 0.2108 934 THR B C 1907 O O . THR B 55 ? 1.6618 1.1912 1.3651 -0.0385 -0.1903 0.1984 934 THR B O 1908 C CB . THR B 55 ? 1.7488 1.3856 1.5064 -0.0116 -0.2284 0.1691 934 THR B CB 1909 O OG1 . THR B 55 ? 1.7523 1.4091 1.4893 -0.0155 -0.2552 0.1667 934 THR B OG1 1910 C CG2 . THR B 55 ? 1.6645 1.3286 1.5150 0.0280 -0.2411 0.1594 934 THR B CG2 1911 N N . LYS B 56 ? 1.5933 1.0721 1.3022 0.0064 -0.2775 0.2302 935 LYS B N 1912 C CA . LYS B 56 ? 1.5523 0.9909 1.2878 0.0179 -0.2722 0.2340 935 LYS B CA 1913 C C . LYS B 56 ? 1.3797 0.8825 1.2194 0.0471 -0.2524 0.1993 935 LYS B C 1914 O O . LYS B 56 ? 1.3119 0.8763 1.2089 0.0692 -0.2610 0.1804 935 LYS B O 1915 C CB . LYS B 56 ? 1.6872 1.0426 1.3925 0.0347 -0.3248 0.2681 935 LYS B CB 1916 C CG . LYS B 56 ? 1.8345 1.1069 1.4194 -0.0100 -0.3258 0.3054 935 LYS B CG 1917 C CD . LYS B 56 ? 1.9936 1.1716 1.5279 0.0021 -0.3862 0.3488 935 LYS B CD 1918 C CE . LYS B 56 ? 2.1998 1.3042 1.5957 -0.0501 -0.3900 0.3883 935 LYS B CE 1919 N NZ . LYS B 56 ? 2.4359 1.4439 1.7716 -0.0381 -0.4594 0.4380 935 LYS B NZ 1920 N N . TYR B 57 ? 1.2216 0.7142 1.0800 0.0406 -0.2224 0.1892 936 TYR B N 1921 C CA . TYR B 57 ? 1.0850 0.6359 1.0272 0.0612 -0.2014 0.1568 936 TYR B CA 1922 C C . TYR B 57 ? 1.1393 0.6897 1.1464 0.1028 -0.2317 0.1468 936 TYR B C 1923 O O . TYR B 57 ? 1.2276 0.7100 1.2211 0.1165 -0.2628 0.1646 936 TYR B O 1924 C CB . TYR B 57 ? 1.0384 0.5781 0.9801 0.0410 -0.1658 0.1474 936 TYR B CB 1925 C CG . TYR B 57 ? 0.9783 0.5554 0.9009 0.0091 -0.1268 0.1400 936 TYR B CG 1926 C CD1 . TYR B 57 ? 0.9186 0.5687 0.8911 0.0150 -0.1051 0.1165 936 TYR B CD1 1927 C CD2 . TYR B 57 ? 1.0153 0.5538 0.8758 -0.0275 -0.1098 0.1545 936 TYR B CD2 1928 C CE1 . TYR B 57 ? 0.8737 0.5564 0.8401 -0.0084 -0.0735 0.1087 936 TYR B CE1 1929 C CE2 . TYR B 57 ? 0.9751 0.5556 0.8335 -0.0534 -0.0727 0.1416 936 TYR B CE2 1930 C CZ . TYR B 57 ? 1.0461 0.6980 0.9614 -0.0405 -0.0570 0.1187 936 TYR B CZ 1931 O OH . TYR B 57 ? 1.1786 0.8693 1.1007 -0.0607 -0.0252 0.1059 936 TYR B OH 1932 N N . LYS B 58 ? 0.9917 0.6160 1.0702 0.1216 -0.2209 0.1172 937 LYS B N 1933 C CA . LYS B 58 ? 0.9720 0.6158 1.1266 0.1579 -0.2354 0.0949 937 LYS B CA 1934 C C . LYS B 58 ? 0.9833 0.6457 1.1640 0.1501 -0.1968 0.0693 937 LYS B C 1935 O O . LYS B 58 ? 0.9293 0.6212 1.0894 0.1239 -0.1653 0.0663 937 LYS B O 1936 C CB . LYS B 58 ? 0.9478 0.6699 1.1589 0.1741 -0.2427 0.0761 937 LYS B CB 1937 C CG . LYS B 58 ? 1.0863 0.8027 1.3251 0.2045 -0.2937 0.0842 937 LYS B CG 1938 C CD . LYS B 58 ? 1.1986 1.0051 1.5211 0.2236 -0.2977 0.0540 937 LYS B CD 1939 C CE . LYS B 58 ? 1.3597 1.2273 1.6721 0.1981 -0.2789 0.0485 937 LYS B CE 1940 N NZ . LYS B 58 ? 1.2715 1.2219 1.6582 0.2005 -0.2506 0.0120 937 LYS B NZ 1941 N N . ASN B 59 ? 0.9715 0.6135 1.1948 0.1717 -0.2007 0.0506 938 ASN B N 1942 C CA . ASN B 59 ? 0.9463 0.6077 1.1888 0.1611 -0.1656 0.0229 938 ASN B CA 1943 C C . ASN B 59 ? 0.9920 0.6786 1.3072 0.1887 -0.1616 -0.0165 938 ASN B C 1944 O O . ASN B 59 ? 1.0208 0.6944 1.3812 0.2228 -0.1902 -0.0226 938 ASN B O 1945 C CB . ASN B 59 ? 1.0491 0.6545 1.2362 0.1311 -0.1506 0.0367 938 ASN B CB 1946 C CG . ASN B 59 ? 1.4135 0.9246 1.5757 0.1362 -0.1738 0.0541 938 ASN B CG 1947 O OD1 . ASN B 59 ? 1.2984 0.7805 1.5038 0.1662 -0.1913 0.0391 938 ASN B OD1 1948 N ND2 . ASN B 59 ? 1.4199 0.8801 1.5131 0.1037 -0.1699 0.0830 938 ASN B ND2 1949 N N . ALA B 60 ? 0.8986 0.6279 1.2271 0.1737 -0.1265 -0.0453 939 ALA B N 1950 C CA . ALA B 60 ? 0.8785 0.6439 1.2689 0.1911 -0.1118 -0.0901 939 ALA B CA 1951 C C . ALA B 60 ? 0.9258 0.6863 1.2994 0.1685 -0.0824 -0.1127 939 ALA B C 1952 O O . ALA B 60 ? 0.9055 0.6712 1.2308 0.1371 -0.0681 -0.0970 939 ALA B O 1953 C CB . ALA B 60 ? 0.8191 0.6738 1.2467 0.1923 -0.0980 -0.1075 939 ALA B CB 1954 N N . ASN B 61 ? 0.9091 0.6646 1.3269 0.1844 -0.0735 -0.1534 940 ASN B N 1955 C CA . ASN B 61 ? 0.9126 0.6672 1.3165 0.1619 -0.0457 -0.1835 940 ASN B CA 1956 C C . ASN B 61 ? 0.9187 0.7602 1.3415 0.1501 -0.0143 -0.2190 940 ASN B C 1957 O O . ASN B 61 ? 0.9052 0.7970 1.3799 0.1700 -0.0107 -0.2400 940 ASN B O 1958 C CB . ASN B 61 ? 0.9785 0.6661 1.4130 0.1823 -0.0521 -0.2111 940 ASN B CB 1959 C CG . ASN B 61 ? 1.3914 0.9783 1.7894 0.1814 -0.0782 -0.1755 940 ASN B CG 1960 O OD1 . ASN B 61 ? 1.3338 0.9015 1.6717 0.1528 -0.0810 -0.1368 940 ASN B OD1 1961 N ND2 . ASN B 61 ? 1.4267 0.9462 1.8624 0.2121 -0.0966 -0.1898 940 ASN B ND2 1962 N N . ALA B 62 ? 0.8572 0.7178 1.2365 0.1149 0.0076 -0.2258 941 ALA B N 1963 C CA . ALA B 62 ? 0.8324 0.7668 1.2073 0.0940 0.0366 -0.2537 941 ALA B CA 1964 C C . ALA B 62 ? 0.9190 0.8454 1.2659 0.0684 0.0549 -0.2843 941 ALA B C 1965 O O . ALA B 62 ? 0.9506 0.8278 1.2672 0.0553 0.0453 -0.2703 941 ALA B O 1966 C CB . ALA B 62 ? 0.7916 0.7679 1.1277 0.0723 0.0365 -0.2171 941 ALA B CB 1967 N N . THR B 63 ? 0.8897 0.8663 1.2448 0.0572 0.0826 -0.3283 942 THR B N 1968 C CA . THR B 63 ? 0.9446 0.9196 1.2688 0.0293 0.1014 -0.3645 942 THR B CA 1969 C C . THR B 63 ? 1.0038 1.0397 1.2685 -0.0112 0.1147 -0.3565 942 THR B C 1970 O O . THR B 63 ? 1.0613 1.1108 1.2890 -0.0411 0.1298 -0.3862 942 THR B O 1971 C CB . THR B 63 ? 1.0393 1.0082 1.4160 0.0475 0.1225 -0.4294 942 THR B CB 1972 O OG1 . THR B 63 ? 0.9786 1.0118 1.3997 0.0611 0.1410 -0.4526 942 THR B OG1 1973 C CG2 . THR B 63 ? 1.0460 0.9316 1.4692 0.0842 0.1009 -0.4312 942 THR B CG2 1974 N N . THR B 64 ? 0.8824 0.9505 1.1353 -0.0127 0.1064 -0.3156 943 THR B N 1975 C CA . THR B 64 ? 0.8556 0.9710 1.0522 -0.0469 0.1118 -0.2965 943 THR B CA 1976 C C . THR B 64 ? 0.8095 0.9090 0.9837 -0.0479 0.0841 -0.2390 943 THR B C 1977 O O . THR B 64 ? 0.7823 0.8422 0.9832 -0.0245 0.0671 -0.2181 943 THR B O 1978 C CB . THR B 64 ? 0.9829 1.1545 1.1903 -0.0517 0.1349 -0.3099 943 THR B CB 1979 O OG1 . THR B 64 ? 0.9825 1.1518 1.2403 -0.0214 0.1244 -0.2901 943 THR B OG1 1980 C CG2 . THR B 64 ? 1.0182 1.2178 1.2475 -0.0565 0.1690 -0.3742 943 THR B CG2 1981 N N . LEU B 65 ? 0.7138 0.8425 0.8384 -0.0751 0.0789 -0.2142 944 LEU B N 1982 C CA . LEU B 65 ? 0.6597 0.7802 0.7703 -0.0749 0.0544 -0.1649 944 LEU B CA 1983 C C . LEU B 65 ? 0.6992 0.8282 0.8255 -0.0609 0.0510 -0.1345 944 LEU B C 1984 O O . LEU B 65 ? 0.6892 0.8252 0.7941 -0.0685 0.0374 -0.0991 944 LEU B O 1985 C CB . LEU B 65 ? 0.6740 0.8170 0.7327 -0.1055 0.0431 -0.1519 944 LEU B CB 1986 C CG . LEU B 65 ? 0.7425 0.8777 0.7856 -0.1226 0.0388 -0.1759 944 LEU B CG 1987 C CD1 . LEU B 65 ? 0.7639 0.9306 0.7558 -0.1521 0.0231 -0.1613 944 LEU B CD1 1988 C CD2 . LEU B 65 ? 0.7474 0.8462 0.8214 -0.1092 0.0242 -0.1640 944 LEU B CD2 1989 N N . SER B 66 ? 0.6581 0.7854 0.8269 -0.0392 0.0613 -0.1509 945 SER B N 1990 C CA . SER B 66 ? 0.6203 0.7566 0.8120 -0.0261 0.0588 -0.1311 945 SER B CA 1991 C C . SER B 66 ? 0.6755 0.8027 0.9239 0.0038 0.0600 -0.1525 945 SER B C 1992 O O . SER B 66 ? 0.6989 0.8235 0.9725 0.0129 0.0705 -0.1900 945 SER B O 1993 C CB . SER B 66 ? 0.6633 0.8414 0.8319 -0.0498 0.0747 -0.1293 945 SER B CB 1994 O OG . SER B 66 ? 0.7961 1.0072 0.9801 -0.0566 0.1019 -0.1732 945 SER B OG 1995 N N . TYR B 67 ? 0.5955 0.7166 0.8653 0.0198 0.0468 -0.1296 946 TYR B N 1996 C CA . TYR B 67 ? 0.5927 0.7083 0.9153 0.0490 0.0386 -0.1419 946 TYR B CA 1997 C C . TYR B 67 ? 0.6709 0.8129 1.0093 0.0500 0.0346 -0.1260 946 TYR B C 1998 O O . TYR B 67 ? 0.6617 0.7938 0.9701 0.0392 0.0266 -0.0935 946 TYR B O 1999 C CB . TYR B 67 ? 0.6041 0.6599 0.9311 0.0707 0.0153 -0.1294 946 TYR B CB 2000 C CG . TYR B 67 ? 0.6402 0.6859 1.0200 0.1031 0.0000 -0.1415 946 TYR B CG 2001 C CD1 . TYR B 67 ? 0.6980 0.7488 1.1243 0.1211 0.0071 -0.1815 946 TYR B CD1 2002 C CD2 . TYR B 67 ? 0.6475 0.6836 1.0346 0.1161 -0.0226 -0.1158 946 TYR B CD2 2003 C CE1 . TYR B 67 ? 0.7344 0.7825 1.2212 0.1557 -0.0116 -0.1934 946 TYR B CE1 2004 C CE2 . TYR B 67 ? 0.6803 0.7153 1.1189 0.1465 -0.0429 -0.1258 946 TYR B CE2 2005 C CZ . TYR B 67 ? 0.7689 0.8105 1.2613 0.1684 -0.0392 -0.1635 946 TYR B CZ 2006 O OH . TYR B 67 ? 0.7367 0.7767 1.2900 0.2040 -0.0650 -0.1737 946 TYR B OH 2007 N N . LEU B 68 ? 0.6430 0.8207 1.0352 0.0633 0.0403 -0.1528 947 LEU B N 2008 C CA . LEU B 68 ? 0.6160 0.8254 1.0325 0.0623 0.0367 -0.1448 947 LEU B CA 2009 C C . LEU B 68 ? 0.6241 0.8071 1.0710 0.0927 0.0045 -0.1335 947 LEU B C 2010 O O . LEU B 68 ? 0.6069 0.7938 1.1061 0.1201 -0.0062 -0.1565 947 LEU B O 2011 C CB . LEU B 68 ? 0.6366 0.9115 1.0990 0.0545 0.0632 -0.1847 947 LEU B CB 2012 C CG . LEU B 68 ? 0.6804 0.9994 1.1596 0.0373 0.0709 -0.1811 947 LEU B CG 2013 C CD1 . LEU B 68 ? 0.6917 1.0044 1.1035 -0.0013 0.0860 -0.1544 947 LEU B CD1 2014 C CD2 . LEU B 68 ? 0.6751 1.0653 1.2234 0.0373 0.0952 -0.2297 947 LEU B CD2 2015 N N . VAL B 69 ? 0.5869 0.7386 0.9984 0.0885 -0.0128 -0.0984 948 VAL B N 2016 C CA . VAL B 69 ? 0.5868 0.7097 1.0096 0.1108 -0.0448 -0.0837 948 VAL B CA 2017 C C . VAL B 69 ? 0.6308 0.8016 1.0978 0.1134 -0.0518 -0.0934 948 VAL B C 2018 O O . VAL B 69 ? 0.6141 0.8059 1.0658 0.0903 -0.0409 -0.0846 948 VAL B O 2019 C CB . VAL B 69 ? 0.6333 0.7042 0.9987 0.1031 -0.0577 -0.0483 948 VAL B CB 2020 C CG1 . VAL B 69 ? 0.6598 0.6979 1.0265 0.1227 -0.0909 -0.0349 948 VAL B CG1 2021 C CG2 . VAL B 69 ? 0.6274 0.6624 0.9548 0.0946 -0.0476 -0.0413 948 VAL B CG2 2022 N N . THR B 70 ? 0.6040 0.7932 1.1314 0.1414 -0.0707 -0.1136 949 THR B N 2023 C CA . THR B 70 ? 0.5832 0.8291 1.1707 0.1479 -0.0821 -0.1297 949 THR B CA 2024 C C . THR B 70 ? 0.6327 0.8500 1.2228 0.1705 -0.1291 -0.1097 949 THR B C 2025 O O . THR B 70 ? 0.6394 0.7892 1.1809 0.1796 -0.1494 -0.0832 949 THR B O 2026 C CB . THR B 70 ? 0.7078 1.0160 1.3768 0.1613 -0.0649 -0.1763 949 THR B CB 2027 O OG1 . THR B 70 ? 0.8169 1.0913 1.5163 0.1985 -0.0853 -0.1869 949 THR B OG1 2028 C CG2 . THR B 70 ? 0.5813 0.9229 1.2346 0.1295 -0.0162 -0.1962 949 THR B CG2 2029 N N . GLY B 71 ? 0.5936 0.8646 1.2358 0.1742 -0.1455 -0.1222 950 GLY B N 2030 C CA . GLY B 71 ? 0.6109 0.8685 1.2578 0.1919 -0.1943 -0.1058 950 GLY B CA 2031 C C . GLY B 71 ? 0.6664 0.8693 1.2251 0.1712 -0.2061 -0.0686 950 GLY B C 2032 O O . GLY B 71 ? 0.7250 0.8926 1.2592 0.1840 -0.2472 -0.0479 950 GLY B O 2033 N N . LEU B 72 ? 0.5606 0.7548 1.0703 0.1389 -0.1713 -0.0604 951 LEU B N 2034 C CA . LEU B 72 ? 0.5660 0.7142 1.0009 0.1189 -0.1755 -0.0331 951 LEU B CA 2035 C C . LEU B 72 ? 0.5860 0.7656 1.0294 0.1055 -0.1934 -0.0369 951 LEU B C 2036 O O . LEU B 72 ? 0.5324 0.7744 1.0401 0.1054 -0.1941 -0.0604 951 LEU B O 2037 C CB . LEU B 72 ? 0.5343 0.6642 0.9274 0.0945 -0.1360 -0.0257 951 LEU B CB 2038 C CG . LEU B 72 ? 0.5851 0.6844 0.9618 0.1021 -0.1205 -0.0218 951 LEU B CG 2039 C CD1 . LEU B 72 ? 0.5501 0.6517 0.9037 0.0796 -0.0862 -0.0193 951 LEU B CD1 2040 C CD2 . LEU B 72 ? 0.6107 0.6467 0.9378 0.1102 -0.1391 0.0009 951 LEU B CD2 2041 N N . LYS B 73 ? 0.5953 0.7351 0.9755 0.0915 -0.2060 -0.0178 952 LYS B N 2042 C CA . LYS B 73 ? 0.6016 0.7667 0.9817 0.0746 -0.2230 -0.0243 952 LYS B CA 2043 C C . LYS B 73 ? 0.6029 0.7806 0.9786 0.0438 -0.1852 -0.0336 952 LYS B C 2044 O O . LYS B 73 ? 0.6002 0.7419 0.9390 0.0351 -0.1562 -0.0229 952 LYS B O 2045 C CB . LYS B 73 ? 0.6729 0.7879 0.9791 0.0688 -0.2511 -0.0037 952 LYS B CB 2046 C CG . LYS B 73 ? 0.8767 0.9751 1.1817 0.0958 -0.2999 0.0103 952 LYS B CG 2047 C CD . LYS B 73 ? 1.1034 1.1928 1.3637 0.0860 -0.3429 0.0200 952 LYS B CD 2048 C CE . LYS B 73 ? 1.3231 1.4311 1.6261 0.1172 -0.4010 0.0247 952 LYS B CE 2049 N NZ . LYS B 73 ? 1.3211 1.5176 1.7276 0.1269 -0.4121 -0.0065 952 LYS B NZ 2050 N N . PRO B 74 ? 0.5038 0.7294 0.9172 0.0260 -0.1868 -0.0525 953 PRO B N 2051 C CA . PRO B 74 ? 0.4894 0.7121 0.8919 -0.0059 -0.1527 -0.0577 953 PRO B CA 2052 C C . PRO B 74 ? 0.5620 0.7262 0.8954 -0.0214 -0.1469 -0.0457 953 PRO B C 2053 O O . PRO B 74 ? 0.5711 0.7119 0.8648 -0.0174 -0.1716 -0.0397 953 PRO B O 2054 C CB . PRO B 74 ? 0.5005 0.7871 0.9606 -0.0234 -0.1605 -0.0825 953 PRO B CB 2055 C CG . PRO B 74 ? 0.5574 0.8716 1.0419 -0.0021 -0.2062 -0.0874 953 PRO B CG 2056 C CD . PRO B 74 ? 0.5044 0.7863 0.9727 0.0328 -0.2219 -0.0696 953 PRO B CD 2057 N N . ASN B 75 ? 0.5484 0.6876 0.8666 -0.0389 -0.1145 -0.0427 954 ASN B N 2058 C CA . ASN B 75 ? 0.5821 0.6695 0.8494 -0.0519 -0.1041 -0.0385 954 ASN B CA 2059 C C . ASN B 75 ? 0.6370 0.6854 0.8542 -0.0367 -0.1114 -0.0252 954 ASN B C 2060 O O . ASN B 75 ? 0.6582 0.6832 0.8337 -0.0469 -0.1187 -0.0299 954 ASN B O 2061 C CB . ASN B 75 ? 0.5277 0.6236 0.7933 -0.0766 -0.1146 -0.0576 954 ASN B CB 2062 C CG . ASN B 75 ? 0.6631 0.7094 0.8935 -0.0941 -0.0942 -0.0624 954 ASN B CG 2063 O OD1 . ASN B 75 ? 0.5199 0.5386 0.7543 -0.0969 -0.0687 -0.0553 954 ASN B OD1 2064 N ND2 . ASN B 75 ? 0.6283 0.6612 0.8242 -0.1063 -0.1066 -0.0759 954 ASN B ND2 2065 N N . THR B 76 ? 0.5443 0.5876 0.7636 -0.0165 -0.1085 -0.0110 955 THR B N 2066 C CA . THR B 76 ? 0.5561 0.5645 0.7312 -0.0059 -0.1144 0.0024 955 THR B CA 2067 C C . THR B 76 ? 0.5905 0.5791 0.7621 0.0006 -0.0893 0.0126 955 THR B C 2068 O O . THR B 76 ? 0.5767 0.5841 0.7804 0.0087 -0.0816 0.0147 955 THR B O 2069 C CB . THR B 76 ? 0.6273 0.6454 0.8071 0.0125 -0.1478 0.0093 955 THR B CB 2070 O OG1 . THR B 76 ? 0.7066 0.7488 0.8936 0.0073 -0.1773 0.0001 955 THR B OG1 2071 C CG2 . THR B 76 ? 0.5856 0.5580 0.7111 0.0179 -0.1552 0.0272 955 THR B CG2 2072 N N . LEU B 77 ? 0.5567 0.5123 0.6898 -0.0049 -0.0767 0.0162 956 LEU B N 2073 C CA . LEU B 77 ? 0.5428 0.4844 0.6750 0.0006 -0.0567 0.0242 956 LEU B CA 2074 C C . LEU B 77 ? 0.6329 0.5629 0.7480 0.0106 -0.0670 0.0361 956 LEU B C 2075 O O . LEU B 77 ? 0.6679 0.5779 0.7448 0.0068 -0.0820 0.0411 956 LEU B O 2076 C CB . LEU B 77 ? 0.5400 0.4598 0.6517 -0.0098 -0.0361 0.0167 956 LEU B CB 2077 C CG . LEU B 77 ? 0.5677 0.4833 0.6916 -0.0037 -0.0174 0.0213 956 LEU B CG 2078 C CD1 . LEU B 77 ? 0.5409 0.4698 0.7042 0.0041 -0.0132 0.0269 956 LEU B CD1 2079 C CD2 . LEU B 77 ? 0.5835 0.4854 0.6953 -0.0121 0.0023 0.0079 956 LEU B CD2 2080 N N . TYR B 78 ? 0.5557 0.4945 0.6950 0.0206 -0.0603 0.0409 957 TYR B N 2081 C CA . TYR B 78 ? 0.5581 0.4824 0.6889 0.0292 -0.0671 0.0490 957 TYR B CA 2082 C C . TYR B 78 ? 0.6506 0.5695 0.7810 0.0252 -0.0469 0.0515 957 TYR B C 2083 O O . TYR B 78 ? 0.6526 0.5885 0.8038 0.0232 -0.0334 0.0484 957 TYR B O 2084 C CB . TYR B 78 ? 0.5493 0.4964 0.7176 0.0444 -0.0785 0.0442 957 TYR B CB 2085 C CG . TYR B 78 ? 0.6111 0.5692 0.7918 0.0532 -0.1046 0.0404 957 TYR B CG 2086 C CD1 . TYR B 78 ? 0.6637 0.5940 0.8267 0.0643 -0.1307 0.0496 957 TYR B CD1 2087 C CD2 . TYR B 78 ? 0.6186 0.6148 0.8316 0.0497 -0.1059 0.0282 957 TYR B CD2 2088 C CE1 . TYR B 78 ? 0.6949 0.6392 0.8761 0.0762 -0.1620 0.0470 957 TYR B CE1 2089 C CE2 . TYR B 78 ? 0.6504 0.6671 0.8847 0.0576 -0.1328 0.0217 957 TYR B CE2 2090 C CZ . TYR B 78 ? 0.7822 0.7749 1.0022 0.0729 -0.1633 0.0313 957 TYR B CZ 2091 O OH . TYR B 78 ? 0.7477 0.7634 0.9933 0.0838 -0.1972 0.0263 957 TYR B OH 2092 N N . GLU B 79 ? 0.6310 0.5242 0.7373 0.0225 -0.0475 0.0583 958 GLU B N 2093 C CA . GLU B 79 ? 0.6057 0.4966 0.7140 0.0160 -0.0313 0.0587 958 GLU B CA 2094 C C . GLU B 79 ? 0.6807 0.5682 0.8029 0.0256 -0.0399 0.0586 958 GLU B C 2095 O O . GLU B 79 ? 0.7273 0.5931 0.8415 0.0345 -0.0575 0.0620 958 GLU B O 2096 C CB . GLU B 79 ? 0.6613 0.5219 0.7287 -0.0011 -0.0232 0.0637 958 GLU B CB 2097 C CG . GLU B 79 ? 0.9076 0.7624 0.9460 -0.0147 -0.0141 0.0598 958 GLU B CG 2098 C CD . GLU B 79 ? 1.3846 1.2104 1.3737 -0.0385 -0.0015 0.0637 958 GLU B CD 2099 O OE1 . GLU B 79 ? 1.2411 1.0636 1.2346 -0.0477 0.0109 0.0646 958 GLU B OE1 2100 O OE2 . GLU B 79 ? 1.5836 1.3905 1.5258 -0.0522 -0.0033 0.0650 958 GLU B OE2 2101 N N . PHE B 80 ? 0.6220 0.5287 0.7648 0.0243 -0.0297 0.0533 959 PHE B N 2102 C CA . PHE B 80 ? 0.6145 0.5198 0.7693 0.0300 -0.0335 0.0465 959 PHE B CA 2103 C C . PHE B 80 ? 0.6922 0.5958 0.8440 0.0166 -0.0227 0.0442 959 PHE B C 2104 O O . PHE B 80 ? 0.6630 0.5890 0.8230 0.0084 -0.0131 0.0450 959 PHE B O 2105 C CB . PHE B 80 ? 0.5900 0.5322 0.7726 0.0373 -0.0322 0.0367 959 PHE B CB 2106 C CG . PHE B 80 ? 0.5713 0.5287 0.7671 0.0455 -0.0392 0.0351 959 PHE B CG 2107 C CD1 . PHE B 80 ? 0.5565 0.5276 0.7527 0.0395 -0.0350 0.0405 959 PHE B CD1 2108 C CD2 . PHE B 80 ? 0.5912 0.5511 0.8060 0.0593 -0.0505 0.0252 959 PHE B CD2 2109 C CE1 . PHE B 80 ? 0.5601 0.5467 0.7699 0.0421 -0.0406 0.0366 959 PHE B CE1 2110 C CE2 . PHE B 80 ? 0.5853 0.5692 0.8207 0.0647 -0.0577 0.0205 959 PHE B CE2 2111 C CZ . PHE B 80 ? 0.5319 0.5294 0.7622 0.0535 -0.0519 0.0263 959 PHE B CZ 2112 N N . SER B 81 ? 0.6929 0.5701 0.8385 0.0150 -0.0257 0.0395 960 SER B N 2113 C CA . SER B 81 ? 0.6947 0.5693 0.8393 -0.0010 -0.0169 0.0331 960 SER B CA 2114 C C . SER B 81 ? 0.7566 0.6116 0.9068 0.0044 -0.0219 0.0192 960 SER B C 2115 O O . SER B 81 ? 0.7640 0.5976 0.9189 0.0221 -0.0329 0.0169 960 SER B O 2116 C CB . SER B 81 ? 0.7891 0.6362 0.9093 -0.0208 -0.0086 0.0418 960 SER B CB 2117 O OG . SER B 81 ? 1.0337 0.8406 1.1221 -0.0187 -0.0161 0.0557 960 SER B OG 2118 N N . VAL B 82 ? 0.7203 0.5905 0.8770 -0.0092 -0.0147 0.0062 961 VAL B N 2119 C CA . VAL B 82 ? 0.7498 0.6066 0.9127 -0.0082 -0.0149 -0.0149 961 VAL B CA 2120 C C . VAL B 82 ? 0.8276 0.6573 0.9792 -0.0314 -0.0096 -0.0205 961 VAL B C 2121 O O . VAL B 82 ? 0.8031 0.6531 0.9526 -0.0505 -0.0033 -0.0137 961 VAL B O 2122 C CB . VAL B 82 ? 0.7603 0.6694 0.9363 -0.0083 -0.0104 -0.0323 961 VAL B CB 2123 C CG1 . VAL B 82 ? 0.7735 0.6707 0.9594 -0.0004 -0.0073 -0.0605 961 VAL B CG1 2124 C CG2 . VAL B 82 ? 0.7154 0.6622 0.8979 0.0016 -0.0117 -0.0203 961 VAL B CG2 2125 N N . MET B 83 ? 0.8106 0.5972 0.9614 -0.0301 -0.0112 -0.0369 962 MET B N 2126 C CA . MET B 83 ? 0.8440 0.5982 0.9853 -0.0551 -0.0054 -0.0488 962 MET B CA 2127 C C . MET B 83 ? 0.9437 0.6951 1.0981 -0.0509 -0.0031 -0.0825 962 MET B C 2128 O O . MET B 83 ? 0.9594 0.7275 1.1303 -0.0274 -0.0047 -0.0945 962 MET B O 2129 C CB . MET B 83 ? 0.9188 0.5958 1.0350 -0.0624 -0.0092 -0.0306 962 MET B CB 2130 C CG . MET B 83 ? 0.9936 0.6091 1.1119 -0.0355 -0.0238 -0.0316 962 MET B CG 2131 S SD . MET B 83 ? 1.1303 0.6383 1.2083 -0.0518 -0.0322 -0.0087 962 MET B SD 2132 C CE . MET B 83 ? 1.1433 0.6250 1.2279 -0.0791 -0.0189 -0.0407 962 MET B CE 2133 N N . VAL B 84 ? 0.9295 0.6650 1.0782 -0.0767 0.0031 -0.1015 963 VAL B N 2134 C CA . VAL B 84 ? 0.9469 0.6734 1.1034 -0.0789 0.0084 -0.1401 963 VAL B CA 2135 C C . VAL B 84 ? 1.0753 0.7160 1.2245 -0.0908 0.0089 -0.1496 963 VAL B C 2136 O O . VAL B 84 ? 1.0827 0.6930 1.2143 -0.1159 0.0097 -0.1309 963 VAL B O 2137 C CB . VAL B 84 ? 0.9585 0.7544 1.1111 -0.1029 0.0136 -0.1607 963 VAL B CB 2138 C CG1 . VAL B 84 ? 0.9556 0.7656 1.1019 -0.1377 0.0129 -0.1537 963 VAL B CG1 2139 C CG2 . VAL B 84 ? 0.9902 0.7827 1.1439 -0.1064 0.0223 -0.2056 963 VAL B CG2 2140 N N . THR B 85 ? 1.0835 0.6846 1.2484 -0.0737 0.0100 -0.1803 964 THR B N 2141 C CA . THR B 85 ? 1.1694 0.6786 1.3323 -0.0803 0.0092 -0.1954 964 THR B CA 2142 C C . THR B 85 ? 1.2574 0.7777 1.4363 -0.0844 0.0221 -0.2502 964 THR B C 2143 O O . THR B 85 ? 1.2336 0.8031 1.4332 -0.0623 0.0280 -0.2731 964 THR B O 2144 C CB . THR B 85 ? 1.2934 0.7260 1.4671 -0.0428 -0.0085 -0.1753 964 THR B CB 2145 O OG1 . THR B 85 ? 1.2573 0.6916 1.4090 -0.0400 -0.0200 -0.1270 964 THR B OG1 2146 C CG2 . THR B 85 ? 1.3282 0.6483 1.4963 -0.0483 -0.0143 -0.1830 964 THR B CG2 2147 N N . LYS B 86 ? 1.2875 0.7635 1.4547 -0.1167 0.0288 -0.2736 965 LYS B N 2148 C CA . LYS B 86 ? 1.3325 0.8026 1.5094 -0.1264 0.0424 -0.3315 965 LYS B CA 2149 C C . LYS B 86 ? 1.4642 0.8225 1.6375 -0.1413 0.0410 -0.3411 965 LYS B C 2150 O O . LYS B 86 ? 1.4569 0.8012 1.6072 -0.1862 0.0450 -0.3412 965 LYS B O 2151 C CB . LYS B 86 ? 1.3381 0.8954 1.4944 -0.1650 0.0516 -0.3538 965 LYS B CB 2152 C CG . LYS B 86 ? 1.5518 1.1149 1.7096 -0.1760 0.0674 -0.4175 965 LYS B CG 2153 C CD . LYS B 86 ? 1.6239 1.2685 1.7511 -0.2190 0.0696 -0.4353 965 LYS B CD 2154 C CE . LYS B 86 ? 1.8446 1.4537 1.9600 -0.2585 0.0778 -0.4838 965 LYS B CE 2155 N NZ . LYS B 86 ? 2.0057 1.5829 2.1318 -0.2459 0.0971 -0.5445 965 LYS B NZ 2156 N N . GLY B 87 ? 1.5051 0.7834 1.7039 -0.1028 0.0328 -0.3449 966 GLY B N 2157 C CA . GLY B 87 ? 1.6296 0.7814 1.8260 -0.1086 0.0264 -0.3479 966 GLY B CA 2158 C C . GLY B 87 ? 1.7330 0.8239 1.8912 -0.1292 0.0125 -0.2881 966 GLY B C 2159 O O . GLY B 87 ? 1.6864 0.7888 1.8371 -0.1065 -0.0024 -0.2417 966 GLY B O 2160 N N . ARG B 88 ? 1.7770 0.8046 1.9075 -0.1775 0.0197 -0.2914 967 ARG B N 2161 C CA . ARG B 88 ? 1.8199 0.7848 1.9067 -0.2112 0.0142 -0.2404 967 ARG B CA 2162 C C . ARG B 88 ? 1.7824 0.8528 1.8512 -0.2348 0.0214 -0.2094 967 ARG B C 2163 O O . ARG B 88 ? 1.7921 0.8343 1.8286 -0.2463 0.0164 -0.1616 967 ARG B O 2164 C CB . ARG B 88 ? 1.9086 0.7904 1.9755 -0.2643 0.0256 -0.2603 967 ARG B CB 2165 C CG . ARG B 88 ? 2.0643 0.8280 2.1500 -0.2456 0.0200 -0.2947 967 ARG B CG 2166 C CD . ARG B 88 ? 2.1649 0.8262 2.2212 -0.3035 0.0294 -0.3024 967 ARG B CD 2167 N NE . ARG B 88 ? 2.1836 0.9197 2.2443 -0.3552 0.0526 -0.3509 967 ARG B NE 2168 C CZ . ARG B 88 ? 2.4483 1.1163 2.4944 -0.4096 0.0646 -0.3760 967 ARG B CZ 2169 N NH1 . ARG B 88 ? 2.4613 0.9749 2.4840 -0.4207 0.0575 -0.3552 967 ARG B NH1 2170 N NH2 . ARG B 88 ? 2.1309 0.8817 2.1839 -0.4549 0.0813 -0.4213 967 ARG B NH2 2171 N N . ARG B 89 ? 1.6522 0.8414 1.7408 -0.2418 0.0323 -0.2379 968 ARG B N 2172 C CA . ARG B 89 ? 1.5482 0.8446 1.6333 -0.2586 0.0370 -0.2172 968 ARG B CA 2173 C C . ARG B 89 ? 1.5086 0.8566 1.6019 -0.2139 0.0268 -0.1887 968 ARG B C 2174 O O . ARG B 89 ? 1.4914 0.8395 1.6047 -0.1719 0.0197 -0.2015 968 ARG B O 2175 C CB . ARG B 89 ? 1.4787 0.8712 1.5794 -0.2838 0.0455 -0.2573 968 ARG B CB 2176 C CG . ARG B 89 ? 1.5962 0.9617 1.6906 -0.3384 0.0556 -0.2864 968 ARG B CG 2177 C CD . ARG B 89 ? 1.5628 1.0354 1.6699 -0.3627 0.0567 -0.3205 968 ARG B CD 2178 N NE . ARG B 89 ? 1.5577 1.1226 1.6750 -0.3794 0.0538 -0.2944 968 ARG B NE 2179 C CZ . ARG B 89 ? 1.6315 1.3050 1.7626 -0.3751 0.0441 -0.3000 968 ARG B CZ 2180 N NH1 . ARG B 89 ? 1.4281 1.1334 1.5533 -0.3603 0.0387 -0.3289 968 ARG B NH1 2181 N NH2 . ARG B 89 ? 1.3971 1.1464 1.5474 -0.3857 0.0398 -0.2769 968 ARG B NH2 2182 N N . SER B 90 ? 1.4097 0.8054 1.4917 -0.2251 0.0284 -0.1544 969 SER B N 2183 C CA . SER B 90 ? 1.3240 0.7735 1.4115 -0.1908 0.0205 -0.1276 969 SER B CA 2184 C C . SER B 90 ? 1.3012 0.8299 1.3890 -0.2146 0.0291 -0.1107 969 SER B C 2185 O O . SER B 90 ? 1.3278 0.8588 1.4106 -0.2573 0.0407 -0.1138 969 SER B O 2186 C CB . SER B 90 ? 1.4016 0.7718 1.4704 -0.1621 0.0059 -0.0943 969 SER B CB 2187 O OG . SER B 90 ? 1.5483 0.8998 1.5825 -0.1822 0.0078 -0.0552 969 SER B OG 2188 N N . SER B 91 ? 1.1609 0.7564 1.2610 -0.1875 0.0240 -0.0968 970 SER B N 2189 C CA . SER B 91 ? 1.0924 0.7628 1.2025 -0.1999 0.0301 -0.0827 970 SER B CA 2190 C C . SER B 91 ? 1.1204 0.7672 1.2095 -0.1884 0.0304 -0.0476 970 SER B C 2191 O O . SER B 91 ? 1.1370 0.7145 1.2026 -0.1690 0.0206 -0.0318 970 SER B O 2192 C CB . SER B 91 ? 1.0490 0.8063 1.1850 -0.1794 0.0228 -0.0931 970 SER B CB 2193 O OG . SER B 91 ? 1.0171 0.7822 1.1527 -0.1426 0.0155 -0.0757 970 SER B OG 2194 N N . THR B 92 ? 1.0291 0.7359 1.1291 -0.1989 0.0398 -0.0377 971 THR B N 2195 C CA . THR B 92 ? 1.0144 0.7097 1.0931 -0.1890 0.0421 -0.0106 971 THR B CA 2196 C C . THR B 92 ? 0.9828 0.7210 1.0798 -0.1479 0.0289 -0.0070 971 THR B C 2197 O O . THR B 92 ? 0.9659 0.7342 1.0852 -0.1309 0.0201 -0.0231 971 THR B O 2198 C CB . THR B 92 ? 1.1099 0.8466 1.1948 -0.2197 0.0633 -0.0079 971 THR B CB 2199 O OG1 . THR B 92 ? 1.0927 0.9153 1.2293 -0.2252 0.0658 -0.0293 971 THR B OG1 2200 C CG2 . THR B 92 ? 1.2457 0.9219 1.2937 -0.2630 0.0798 -0.0013 971 THR B CG2 2201 N N . TRP B 93 ? 0.8721 0.6112 0.9550 -0.1363 0.0292 0.0127 972 TRP B N 2202 C CA . TRP B 93 ? 0.7943 0.5698 0.8932 -0.1031 0.0186 0.0165 972 TRP B CA 2203 C C . TRP B 93 ? 0.7990 0.6530 0.9352 -0.1034 0.0245 0.0080 972 TRP B C 2204 O O . TRP B 93 ? 0.8046 0.6872 0.9540 -0.1248 0.0385 0.0046 972 TRP B O 2205 C CB . TRP B 93 ? 0.7903 0.5332 0.8581 -0.0927 0.0139 0.0381 972 TRP B CB 2206 C CG . TRP B 93 ? 0.8647 0.5295 0.8998 -0.0850 -0.0022 0.0505 972 TRP B CG 2207 C CD1 . TRP B 93 ? 0.9724 0.5668 0.9608 -0.1073 -0.0019 0.0674 972 TRP B CD1 2208 C CD2 . TRP B 93 ? 0.8637 0.5118 0.9143 -0.0523 -0.0223 0.0461 972 TRP B CD2 2209 N NE1 . TRP B 93 ? 1.0159 0.5446 0.9903 -0.0864 -0.0261 0.0773 972 TRP B NE1 2210 C CE2 . TRP B 93 ? 0.9840 0.5493 1.0025 -0.0507 -0.0381 0.0615 972 TRP B CE2 2211 C CE3 . TRP B 93 ? 0.8223 0.5180 0.9116 -0.0260 -0.0277 0.0298 972 TRP B CE3 2212 C CZ2 . TRP B 93 ? 0.9894 0.5237 1.0259 -0.0178 -0.0610 0.0579 972 TRP B CZ2 2213 C CZ3 . TRP B 93 ? 0.8539 0.5243 0.9584 0.0012 -0.0441 0.0232 972 TRP B CZ3 2214 C CH2 . TRP B 93 ? 0.9313 0.5246 1.0157 0.0082 -0.0617 0.0357 972 TRP B CH2 2215 N N . SER B 94 ? 0.7030 0.5918 0.8585 -0.0806 0.0133 0.0038 973 SER B N 2216 C CA . SER B 94 ? 0.6378 0.5912 0.8248 -0.0754 0.0105 0.0013 973 SER B CA 2217 C C . SER B 94 ? 0.6682 0.6387 0.8648 -0.0679 0.0169 0.0124 973 SER B C 2218 O O . SER B 94 ? 0.6998 0.6360 0.8721 -0.0696 0.0244 0.0209 973 SER B O 2219 C CB . SER B 94 ? 0.6050 0.5750 0.7938 -0.0564 -0.0018 -0.0009 973 SER B CB 2220 O OG . SER B 94 ? 0.5509 0.5064 0.7315 -0.0361 -0.0043 0.0100 973 SER B OG 2221 N N . MET B 95 ? 0.5728 0.5933 0.8025 -0.0589 0.0114 0.0122 974 MET B N 2222 C CA . MET B 95 ? 0.5332 0.5700 0.7799 -0.0457 0.0149 0.0187 974 MET B CA 2223 C C . MET B 95 ? 0.5952 0.5983 0.8131 -0.0301 0.0109 0.0292 974 MET B C 2224 O O . MET B 95 ? 0.5864 0.5739 0.7881 -0.0241 0.0018 0.0303 974 MET B O 2225 C CB . MET B 95 ? 0.5305 0.6146 0.8159 -0.0330 0.0002 0.0207 974 MET B CB 2226 C CG . MET B 95 ? 0.5493 0.6355 0.8179 -0.0260 -0.0183 0.0275 974 MET B CG 2227 S SD . MET B 95 ? 0.5498 0.6606 0.8364 -0.0082 -0.0377 0.0438 974 MET B SD 2228 C CE . MET B 95 ? 0.4851 0.5596 0.7564 0.0056 -0.0269 0.0521 974 MET B CE 2229 N N . THR B 96 ? 0.5760 0.5722 0.7913 -0.0248 0.0183 0.0327 975 THR B N 2230 C CA . THR B 96 ? 0.5556 0.5260 0.7473 -0.0129 0.0123 0.0405 975 THR B CA 2231 C C . THR B 96 ? 0.5878 0.5782 0.7991 0.0023 0.0040 0.0448 975 THR B C 2232 O O . THR B 96 ? 0.5837 0.5947 0.8223 0.0069 0.0062 0.0440 975 THR B O 2233 C CB . THR B 96 ? 0.6865 0.6291 0.8490 -0.0211 0.0225 0.0416 975 THR B CB 2234 O OG1 . THR B 96 ? 0.7768 0.7431 0.9614 -0.0255 0.0384 0.0323 975 THR B OG1 2235 C CG2 . THR B 96 ? 0.6895 0.5955 0.8160 -0.0396 0.0268 0.0447 975 THR B CG2 2236 N N . ALA B 97 ? 0.5639 0.5466 0.7640 0.0097 -0.0053 0.0487 976 ALA B N 2237 C CA . ALA B 97 ? 0.5322 0.5261 0.7413 0.0179 -0.0109 0.0543 976 ALA B CA 2238 C C . ALA B 97 ? 0.5685 0.5438 0.7655 0.0212 -0.0103 0.0541 976 ALA B C 2239 O O . ALA B 97 ? 0.5526 0.5084 0.7305 0.0200 -0.0122 0.0521 976 ALA B O 2240 C CB . ALA B 97 ? 0.5296 0.5352 0.7345 0.0174 -0.0168 0.0535 976 ALA B CB 2241 N N . HIS B 98 ? 0.5230 0.5007 0.7294 0.0239 -0.0100 0.0568 977 HIS B N 2242 C CA . HIS B 98 ? 0.4919 0.4562 0.6885 0.0234 -0.0104 0.0534 977 HIS B CA 2243 C C . HIS B 98 ? 0.5927 0.5662 0.7983 0.0229 -0.0149 0.0563 977 HIS B C 2244 O O . HIS B 98 ? 0.5867 0.5671 0.8025 0.0215 -0.0149 0.0643 977 HIS B O 2245 C CB . HIS B 98 ? 0.4903 0.4448 0.6904 0.0214 -0.0004 0.0474 977 HIS B CB 2246 C CG . HIS B 98 ? 0.5386 0.4870 0.7249 0.0149 0.0099 0.0409 977 HIS B CG 2247 N ND1 . HIS B 98 ? 0.5584 0.5220 0.7647 0.0143 0.0173 0.0390 977 HIS B ND1 2248 C CD2 . HIS B 98 ? 0.5788 0.5086 0.7304 0.0048 0.0135 0.0365 977 HIS B CD2 2249 C CE1 . HIS B 98 ? 0.5633 0.5178 0.7483 0.0016 0.0299 0.0318 977 HIS B CE1 2250 N NE2 . HIS B 98 ? 0.5877 0.5182 0.7340 -0.0051 0.0278 0.0321 977 HIS B NE2 2251 N N . GLY B 99 ? 0.5891 0.5624 0.7894 0.0217 -0.0204 0.0506 978 GLY B N 2252 C CA . GLY B 99 ? 0.5777 0.5661 0.7904 0.0164 -0.0220 0.0487 978 GLY B CA 2253 C C . GLY B 99 ? 0.6535 0.6424 0.8654 0.0139 -0.0300 0.0396 978 GLY B C 2254 O O . GLY B 99 ? 0.6809 0.6663 0.8833 0.0206 -0.0413 0.0365 978 GLY B O 2255 N N . ALA B 100 ? 0.5800 0.5694 0.7996 0.0027 -0.0269 0.0366 979 ALA B N 2256 C CA . ALA B 100 ? 0.5569 0.5528 0.7788 -0.0043 -0.0360 0.0251 979 ALA B CA 2257 C C . ALA B 100 ? 0.5806 0.6113 0.8312 -0.0132 -0.0359 0.0184 979 ALA B C 2258 O O . ALA B 100 ? 0.5561 0.5877 0.8128 -0.0264 -0.0229 0.0236 979 ALA B O 2259 C CB . ALA B 100 ? 0.5790 0.5483 0.7901 -0.0150 -0.0295 0.0203 979 ALA B CB 2260 N N . THR B 101 ? 0.5310 0.5912 0.8004 -0.0073 -0.0512 0.0069 980 THR B N 2261 C CA . THR B 101 ? 0.5123 0.6188 0.8217 -0.0158 -0.0497 -0.0070 980 THR B CA 2262 C C . THR B 101 ? 0.5598 0.6693 0.8753 -0.0414 -0.0440 -0.0137 980 THR B C 2263 O O . THR B 101 ? 0.6217 0.7013 0.9146 -0.0473 -0.0495 -0.0135 980 THR B O 2264 C CB . THR B 101 ? 0.5658 0.7033 0.9039 0.0013 -0.0734 -0.0196 980 THR B CB 2265 O OG1 . THR B 101 ? 0.5725 0.6890 0.8860 0.0032 -0.0959 -0.0171 980 THR B OG1 2266 C CG2 . THR B 101 ? 0.4735 0.6111 0.8188 0.0242 -0.0765 -0.0181 980 THR B CG2 2267 N N . PHE B 102 ? 0.4443 0.5896 0.7892 -0.0597 -0.0306 -0.0226 981 PHE B N 2268 C CA . PHE B 102 ? 0.4542 0.6031 0.8081 -0.0897 -0.0229 -0.0300 981 PHE B CA 2269 C C . PHE B 102 ? 0.5777 0.7560 0.9561 -0.0915 -0.0452 -0.0501 981 PHE B C 2270 O O . PHE B 102 ? 0.5710 0.7725 0.9636 -0.0680 -0.0686 -0.0562 981 PHE B O 2271 C CB . PHE B 102 ? 0.4723 0.6578 0.8494 -0.1138 -0.0004 -0.0356 981 PHE B CB 2272 C CG . PHE B 102 ? 0.4940 0.6517 0.8380 -0.1214 0.0196 -0.0142 981 PHE B CG 2273 C CD1 . PHE B 102 ? 0.5477 0.6438 0.8506 -0.1128 0.0168 0.0101 981 PHE B CD1 2274 C CD2 . PHE B 102 ? 0.5151 0.7117 0.8698 -0.1393 0.0406 -0.0203 981 PHE B CD2 2275 C CE1 . PHE B 102 ? 0.5803 0.6532 0.8529 -0.1193 0.0279 0.0321 981 PHE B CE1 2276 C CE2 . PHE B 102 ? 0.5683 0.7380 0.8812 -0.1512 0.0555 0.0014 981 PHE B CE2 2277 C CZ . PHE B 102 ? 0.5732 0.6808 0.8453 -0.1399 0.0456 0.0293 981 PHE B CZ 2278 N N . GLU B 103 ? 0.5633 0.7349 0.9431 -0.1205 -0.0412 -0.0590 982 GLU B N 2279 C CA . GLU B 103 ? 0.5728 0.7784 0.9763 -0.1290 -0.0634 -0.0806 982 GLU B CA 2280 C C . GLU B 103 ? 0.6559 0.9432 1.1266 -0.1344 -0.0649 -0.1010 982 GLU B C 2281 O O . GLU B 103 ? 0.6207 0.9315 1.1115 -0.1393 -0.0409 -0.1004 982 GLU B O 2282 C CB . GLU B 103 ? 0.6170 0.7923 1.0062 -0.1629 -0.0555 -0.0890 982 GLU B CB 2283 C CG . GLU B 103 ? 0.6851 0.7885 1.0208 -0.1570 -0.0543 -0.0798 982 GLU B CG 2284 C CD . GLU B 103 ? 0.9423 1.0149 1.2675 -0.1881 -0.0501 -0.0964 982 GLU B CD 2285 O OE1 . GLU B 103 ? 0.7954 0.8997 1.1525 -0.2185 -0.0478 -0.1123 982 GLU B OE1 2286 O OE2 . GLU B 103 ? 1.0392 1.0579 1.3268 -0.1836 -0.0476 -0.0976 982 GLU B OE2 2287 N N . LEU B 104 ? 0.5845 0.8426 0.8603 0.0204 -0.0053 -0.1605 983 LEU B N 2288 C CA . LEU B 104 ? 0.5571 0.8088 0.8132 0.0158 -0.0024 -0.1652 983 LEU B CA 2289 C C . LEU B 104 ? 0.6297 0.8372 0.8625 0.0236 0.0015 -0.1408 983 LEU B C 2290 O O . LEU B 104 ? 0.6240 0.8014 0.8617 0.0308 0.0069 -0.1290 983 LEU B O 2291 C CB . LEU B 104 ? 0.5480 0.7868 0.8284 0.0103 0.0078 -0.1934 983 LEU B CB 2292 C CG . LEU B 104 ? 0.5770 0.8127 0.8511 0.0140 0.0086 -0.2106 983 LEU B CG 2293 C CD1 . LEU B 104 ? 0.5424 0.8443 0.8116 0.0076 0.0021 -0.2349 983 LEU B CD1 2294 C CD2 . LEU B 104 ? 0.5909 0.7776 0.8868 0.0162 0.0117 -0.2286 983 LEU B CD2 2295 N N . VAL B 105 ? 0.6072 0.8203 0.8154 0.0200 -0.0007 -0.1362 984 VAL B N 2296 C CA . VAL B 105 ? 0.6077 0.7836 0.7941 0.0240 0.0018 -0.1160 984 VAL B CA 2297 C C . VAL B 105 ? 0.6654 0.7964 0.8671 0.0326 0.0139 -0.1197 984 VAL B C 2298 O O . VAL B 105 ? 0.6803 0.8080 0.9045 0.0320 0.0185 -0.1404 984 VAL B O 2299 C CB . VAL B 105 ? 0.6411 0.8467 0.8085 0.0143 0.0009 -0.1200 984 VAL B CB 2300 C CG1 . VAL B 105 ? 0.6657 0.9029 0.7986 -0.0044 -0.0122 -0.1015 984 VAL B CG1 2301 C CG2 . VAL B 105 ? 0.6185 0.8611 0.8113 0.0161 0.0065 -0.1579 984 VAL B CG2 2302 N N . PRO B 106 ? 0.5917 0.6832 0.7772 0.0380 0.0167 -0.0999 985 PRO B N 2303 C CA . PRO B 106 ? 0.5916 0.6421 0.7808 0.0409 0.0260 -0.0996 985 PRO B CA 2304 C C . PRO B 106 ? 0.6480 0.6960 0.8451 0.0441 0.0221 -0.1159 985 PRO B C 2305 O O . PRO B 106 ? 0.6337 0.7151 0.8273 0.0456 0.0166 -0.1240 985 PRO B O 2306 C CB . PRO B 106 ? 0.6124 0.6338 0.7757 0.0453 0.0264 -0.0789 985 PRO B CB 2307 C CG . PRO B 106 ? 0.6551 0.6915 0.8103 0.0472 0.0172 -0.0701 985 PRO B CG 2308 C CD . PRO B 106 ? 0.6054 0.6828 0.7639 0.0396 0.0085 -0.0774 985 PRO B CD 2309 N N . THR B 107 ? 0.6138 0.6272 0.8237 0.0439 0.0227 -0.1240 986 THR B N 2310 C CA . THR B 107 ? 0.6090 0.6115 0.8321 0.0549 0.0113 -0.1445 986 THR B CA 2311 C C . THR B 107 ? 0.6602 0.6036 0.8683 0.0614 0.0042 -0.1289 986 THR B C 2312 O O . THR B 107 ? 0.6943 0.6087 0.9145 0.0737 -0.0115 -0.1434 986 THR B O 2313 C CB . THR B 107 ? 0.7331 0.7398 0.9842 0.0517 0.0068 -0.1731 986 THR B CB 2314 O OG1 . THR B 107 ? 0.8533 0.8222 1.1038 0.0341 0.0129 -0.1608 986 THR B OG1 2315 C CG2 . THR B 107 ? 0.5671 0.6446 0.8294 0.0474 0.0097 -0.1931 986 THR B CG2 2316 N N . SER B 108 ? 0.6193 0.5430 0.8001 0.0546 0.0125 -0.1011 987 SER B N 2317 C CA . SER B 108 ? 0.6512 0.5221 0.8069 0.0556 0.0066 -0.0811 987 SER B CA 2318 C C . SER B 108 ? 0.7046 0.5885 0.8350 0.0561 0.0135 -0.0641 987 SER B C 2319 O O . SER B 108 ? 0.6818 0.5970 0.8120 0.0518 0.0234 -0.0630 987 SER B O 2320 C CB . SER B 108 ? 0.7714 0.5956 0.9148 0.0349 0.0120 -0.0667 987 SER B CB 2321 O OG . SER B 108 ? 0.9581 0.7822 1.0759 0.0187 0.0293 -0.0470 987 SER B OG 2322 N N . PRO B 109 ? 0.6751 0.5338 0.7847 0.0627 0.0036 -0.0526 988 PRO B N 2323 C CA . PRO B 109 ? 0.6591 0.5278 0.7447 0.0609 0.0084 -0.0406 988 PRO B CA 2324 C C . PRO B 109 ? 0.7269 0.5735 0.7856 0.0485 0.0223 -0.0254 988 PRO B C 2325 O O . PRO B 109 ? 0.7937 0.6133 0.8438 0.0371 0.0269 -0.0180 988 PRO B O 2326 C CB . PRO B 109 ? 0.6911 0.5474 0.7679 0.0723 -0.0096 -0.0384 988 PRO B CB 2327 C CG . PRO B 109 ? 0.7791 0.5931 0.8605 0.0786 -0.0239 -0.0380 988 PRO B CG 2328 C CD . PRO B 109 ? 0.7234 0.5384 0.8288 0.0727 -0.0169 -0.0502 988 PRO B CD 2329 N N . PRO B 110 ? 0.6296 0.4847 0.6712 0.0484 0.0272 -0.0218 989 PRO B N 2330 C CA . PRO B 110 ? 0.6356 0.4780 0.6529 0.0402 0.0403 -0.0161 989 PRO B CA 2331 C C . PRO B 110 ? 0.7826 0.5905 0.7684 0.0319 0.0351 -0.0009 989 PRO B C 2332 O O . PRO B 110 ? 0.8462 0.6404 0.8243 0.0401 0.0173 0.0045 989 PRO B O 2333 C CB . PRO B 110 ? 0.6408 0.4881 0.6458 0.0467 0.0371 -0.0194 989 PRO B CB 2334 C CG . PRO B 110 ? 0.6732 0.5393 0.6981 0.0514 0.0263 -0.0229 989 PRO B CG 2335 C CD . PRO B 110 ? 0.6207 0.4958 0.6620 0.0526 0.0196 -0.0244 989 PRO B CD 2336 N N . LYS B 111 ? 0.7734 0.5711 0.7418 0.0133 0.0482 0.0064 990 LYS B N 2337 C CA . LYS B 111 ? 0.8196 0.5785 0.7464 -0.0036 0.0421 0.0278 990 LYS B CA 2338 C C . LYS B 111 ? 0.9309 0.6917 0.8150 -0.0086 0.0464 0.0326 990 LYS B C 2339 O O . LYS B 111 ? 0.9064 0.6981 0.7961 -0.0013 0.0588 0.0149 990 LYS B O 2340 C CB . LYS B 111 ? 0.8727 0.6299 0.7924 -0.0332 0.0587 0.0343 990 LYS B CB 2341 C CG . LYS B 111 ? 0.9422 0.6812 0.8919 -0.0369 0.0505 0.0333 990 LYS B CG 2342 C CD . LYS B 111 ? 0.9839 0.7447 0.9364 -0.0706 0.0739 0.0318 990 LYS B CD 2343 C CE . LYS B 111 ? 1.1695 0.8861 1.0719 -0.1116 0.0725 0.0609 990 LYS B CE 2344 N NZ . LYS B 111 ? 1.5060 1.1445 1.4027 -0.1129 0.0401 0.0788 990 LYS B NZ 2345 N N . ASP B 112 ? 0.9725 0.6953 0.8115 -0.0217 0.0325 0.0561 991 ASP B N 2346 C CA . ASP B 112 ? 1.0239 0.7447 0.8096 -0.0342 0.0341 0.0649 991 ASP B CA 2347 C C . ASP B 112 ? 1.0113 0.7570 0.8000 -0.0157 0.0339 0.0454 991 ASP B C 2348 O O . ASP B 112 ? 1.0263 0.7936 0.7882 -0.0251 0.0498 0.0340 991 ASP B O 2349 C CB . ASP B 112 ? 1.1165 0.8573 0.8686 -0.0698 0.0619 0.0682 991 ASP B CB 2350 C CG . ASP B 112 ? 1.4761 1.1944 1.2258 -0.0987 0.0651 0.0872 991 ASP B CG 2351 O OD1 . ASP B 112 ? 1.5528 1.2081 1.2808 -0.1044 0.0365 0.1161 991 ASP B OD1 2352 O OD2 . ASP B 112 ? 1.5751 1.3378 1.3451 -0.1160 0.0934 0.0717 991 ASP B OD2 2353 N N . VAL B 113 ? 0.9008 0.6451 0.7202 0.0075 0.0147 0.0396 992 VAL B N 2354 C CA . VAL B 113 ? 0.8596 0.6194 0.6798 0.0180 0.0096 0.0249 992 VAL B CA 2355 C C . VAL B 113 ? 0.9819 0.7297 0.7525 0.0102 -0.0026 0.0339 992 VAL B C 2356 O O . VAL B 113 ? 1.0260 0.7515 0.7787 0.0101 -0.0242 0.0538 992 VAL B O 2357 C CB . VAL B 113 ? 0.8406 0.6128 0.7015 0.0340 -0.0060 0.0184 992 VAL B CB 2358 C CG1 . VAL B 113 ? 0.8112 0.5948 0.6674 0.0344 -0.0120 0.0069 992 VAL B CG1 2359 C CG2 . VAL B 113 ? 0.8039 0.5912 0.7067 0.0390 0.0046 0.0101 992 VAL B CG2 2360 N N . THR B 114 ? 0.9356 0.6962 0.6834 0.0052 0.0080 0.0171 993 THR B N 2361 C CA . THR B 114 ? 0.9746 0.7317 0.6730 -0.0039 -0.0014 0.0186 993 THR B CA 2362 C C . THR B 114 ? 1.0659 0.8315 0.7701 0.0025 -0.0040 -0.0075 993 THR B C 2363 O O . THR B 114 ? 1.0375 0.8072 0.7711 0.0108 0.0068 -0.0271 993 THR B O 2364 C CB . THR B 114 ? 1.1090 0.8736 0.7566 -0.0266 0.0177 0.0217 993 THR B CB 2365 O OG1 . THR B 114 ? 1.1677 0.9624 0.8316 -0.0262 0.0465 -0.0083 993 THR B OG1 2366 C CG2 . THR B 114 ? 1.0589 0.8017 0.6851 -0.0439 0.0147 0.0548 993 THR B CG2 2367 N N . VAL B 115 ? 1.0752 0.8385 0.7495 -0.0022 -0.0231 -0.0067 994 VAL B N 2368 C CA . VAL B 115 ? 1.0668 0.8302 0.7379 -0.0029 -0.0307 -0.0300 994 VAL B CA 2369 C C . VAL B 115 ? 1.2163 0.9842 0.8304 -0.0154 -0.0327 -0.0393 994 VAL B C 2370 O O . VAL B 115 ? 1.2547 1.0247 0.8335 -0.0233 -0.0467 -0.0185 994 VAL B O 2371 C CB . VAL B 115 ? 1.0647 0.8328 0.7646 -0.0014 -0.0541 -0.0256 994 VAL B CB 2372 C CG1 . VAL B 115 ? 1.0610 0.8194 0.7555 -0.0103 -0.0618 -0.0481 994 VAL B CG1 2373 C CG2 . VAL B 115 ? 1.0128 0.7876 0.7627 0.0076 -0.0509 -0.0172 994 VAL B CG2 2374 N N . VAL B 116 ? 1.1991 0.9670 0.8029 -0.0156 -0.0215 -0.0728 995 VAL B N 2375 C CA . VAL B 116 ? 1.2387 1.0173 0.7899 -0.0272 -0.0215 -0.0926 995 VAL B CA 2376 C C . VAL B 116 ? 1.2617 1.0215 0.8207 -0.0241 -0.0345 -0.1255 995 VAL B C 2377 O O . VAL B 116 ? 1.2005 0.9365 0.8004 -0.0134 -0.0372 -0.1350 995 VAL B O 2378 C CB . VAL B 116 ? 1.3296 1.1369 0.8525 -0.0335 0.0093 -0.1104 995 VAL B CB 2379 C CG1 . VAL B 116 ? 1.3360 1.1539 0.8356 -0.0491 0.0179 -0.0714 995 VAL B CG1 2380 C CG2 . VAL B 116 ? 1.3054 1.1175 0.8732 -0.0144 0.0288 -0.1452 995 VAL B CG2 2381 N N . SER B 117 ? 1.3010 1.0668 0.8167 -0.0361 -0.0453 -0.1420 996 SER B N 2382 C CA . SER B 117 ? 1.3278 1.0688 0.8441 -0.0372 -0.0597 -0.1779 996 SER B CA 2383 C C . SER B 117 ? 1.3861 1.1290 0.8974 -0.0239 -0.0396 -0.2243 996 SER B C 2384 O O . SER B 117 ? 1.3970 1.1808 0.8799 -0.0263 -0.0160 -0.2324 996 SER B O 2385 C CB . SER B 117 ? 1.4081 1.1600 0.8819 -0.0561 -0.0816 -0.1810 996 SER B CB 2386 O OG . SER B 117 ? 1.5013 1.2360 1.0010 -0.0657 -0.1074 -0.1719 996 SER B OG 2387 N N . LYS B 118 ? 1.3393 1.0395 0.8808 -0.0101 -0.0499 -0.2542 997 LYS B N 2388 C CA . LYS B 118 ? 1.3599 1.0586 0.9078 0.0118 -0.0385 -0.3089 997 LYS B CA 2389 C C . LYS B 118 ? 1.4645 1.1838 0.9613 0.0017 -0.0395 -0.3510 997 LYS B C 2390 O O . LYS B 118 ? 1.4491 1.1483 0.9196 -0.0179 -0.0629 -0.3464 997 LYS B O 2391 C CB . LYS B 118 ? 1.3761 1.0060 0.9662 0.0306 -0.0614 -0.3255 997 LYS B CB 2392 C CG . LYS B 118 ? 1.3955 1.0239 1.0095 0.0655 -0.0541 -0.3824 997 LYS B CG 2393 C CD . LYS B 118 ? 1.5028 1.0418 1.1421 0.0820 -0.0910 -0.4025 997 LYS B CD 2394 C CE . LYS B 118 ? 1.6405 1.1755 1.3131 0.1263 -0.0911 -0.4627 997 LYS B CE 2395 N NZ . LYS B 118 ? 1.7908 1.2235 1.4910 0.1454 -0.1344 -0.4686 997 LYS B NZ 2396 N N . GLU B 119 ? 1.4834 1.2549 0.9655 0.0116 -0.0124 -0.3928 998 GLU B N 2397 C CA . GLU B 119 ? 1.5597 1.3674 0.9908 0.0021 -0.0072 -0.4401 998 GLU B CA 2398 C C . GLU B 119 ? 1.6769 1.4234 1.1117 0.0108 -0.0389 -0.4857 998 GLU B C 2399 O O . GLU B 119 ? 1.6673 1.3644 1.1467 0.0404 -0.0513 -0.5199 998 GLU B O 2400 C CB . GLU B 119 ? 1.6017 1.4852 1.0307 0.0142 0.0302 -0.4880 998 GLU B CB 2401 C CG . GLU B 119 ? 1.8044 1.7634 1.1622 -0.0125 0.0507 -0.5119 998 GLU B CG 2402 C CD . GLU B 119 ? 2.2968 2.2473 1.5890 -0.0462 0.0302 -0.4797 998 GLU B CD 2403 O OE1 . GLU B 119 ? 2.4290 2.3459 1.7104 -0.0441 0.0050 -0.5147 998 GLU B OE1 2404 O OE2 . GLU B 119 ? 2.2030 2.1751 1.4571 -0.0738 0.0344 -0.4195 998 GLU B OE2 2405 N N . GLY B 120 ? 1.7011 1.4441 1.0894 -0.0163 -0.0570 -0.4806 999 GLY B N 2406 C CA . GLY B 120 ? 1.7781 1.4641 1.1593 -0.0195 -0.0894 -0.5206 999 GLY B CA 2407 C C . GLY B 120 ? 1.8303 1.4274 1.2507 -0.0222 -0.1234 -0.4954 999 GLY B C 2408 O O . GLY B 120 ? 1.9020 1.4361 1.3203 -0.0260 -0.1530 -0.5304 999 GLY B O 2409 N N . LYS B 121 ? 1.7087 1.2991 1.1618 -0.0241 -0.1202 -0.4360 1000 LYS B N 2410 C CA . LYS B 121 ? 1.6946 1.2148 1.1798 -0.0347 -0.1482 -0.4048 1000 LYS B CA 2411 C C . LYS B 121 ? 1.6731 1.2297 1.1598 -0.0610 -0.1478 -0.3410 1000 LYS B C 2412 O O . LYS B 121 ? 1.6041 1.1825 1.1176 -0.0513 -0.1316 -0.3041 1000 LYS B O 2413 C CB . LYS B 121 ? 1.7089 1.1819 1.2416 -0.0041 -0.1489 -0.4072 1000 LYS B CB 2414 C CG . LYS B 121 ? 1.8932 1.3175 1.4368 0.0293 -0.1612 -0.4749 1000 LYS B CG 2415 C CD . LYS B 121 ? 2.0535 1.3790 1.5869 0.0150 -0.2057 -0.4976 1000 LYS B CD 2416 C CE . LYS B 121 ? 2.1145 1.3867 1.6630 0.0567 -0.2227 -0.5711 1000 LYS B CE 2417 N NZ . LYS B 121 ? 2.1472 1.3103 1.6804 0.0410 -0.2706 -0.5966 1000 LYS B NZ 2418 N N . PRO B 122 ? 1.6388 1.2092 1.1000 -0.0919 -0.1666 -0.3328 1001 PRO B N 2419 C CA . PRO B 122 ? 1.5692 1.1871 1.0385 -0.1098 -0.1690 -0.2814 1001 PRO B CA 2420 C C . PRO B 122 ? 1.5443 1.1431 1.0584 -0.1193 -0.1765 -0.2445 1001 PRO B C 2421 O O . PRO B 122 ? 1.4700 1.1134 1.0043 -0.1162 -0.1675 -0.2073 1001 PRO B O 2422 C CB . PRO B 122 ? 1.6348 1.2748 1.0704 -0.1378 -0.1914 -0.2933 1001 PRO B CB 2423 C CG . PRO B 122 ? 1.7712 1.3510 1.1918 -0.1448 -0.2073 -0.3435 1001 PRO B CG 2424 C CD . PRO B 122 ? 1.7319 1.2834 1.1582 -0.1096 -0.1877 -0.3754 1001 PRO B CD 2425 N N . ARG B 123 ? 1.5291 1.0595 1.0553 -0.1318 -0.1950 -0.2556 1002 ARG B N 2426 C CA . ARG B 123 ? 1.4962 1.0041 1.0548 -0.1497 -0.2038 -0.2213 1002 ARG B CA 2427 C C . ARG B 123 ? 1.4558 0.9511 1.0437 -0.1189 -0.1855 -0.2050 1002 ARG B C 2428 O O . ARG B 123 ? 1.4036 0.8908 1.0154 -0.1313 -0.1892 -0.1742 1002 ARG B O 2429 C CB . ARG B 123 ? 1.5959 1.0245 1.1446 -0.1829 -0.2357 -0.2336 1002 ARG B CB 2430 C CG . ARG B 123 ? 1.7633 1.2135 1.2910 -0.2243 -0.2552 -0.2429 1002 ARG B CG 2431 C CD . ARG B 123 ? 2.1081 1.4891 1.6301 -0.2725 -0.2862 -0.2384 1002 ARG B CD 2432 N NE . ARG B 123 ? 2.3978 1.8308 1.9122 -0.3205 -0.3000 -0.2369 1002 ARG B NE 2433 C CZ . ARG B 123 ? 2.5878 2.0876 2.1251 -0.3570 -0.2991 -0.2048 1002 ARG B CZ 2434 N NH1 . ARG B 123 ? 2.3617 1.8800 1.9263 -0.3527 -0.2845 -0.1703 1002 ARG B NH1 2435 N NH2 . ARG B 123 ? 2.4569 2.0137 1.9920 -0.3986 -0.3130 -0.2113 1002 ARG B NH2 2436 N N . THR B 124 ? 1.3906 0.8945 0.9750 -0.0821 -0.1650 -0.2277 1003 THR B N 2437 C CA . THR B 124 ? 1.3323 0.8349 0.9450 -0.0507 -0.1465 -0.2215 1003 THR B CA 2438 C C . THR B 124 ? 1.2807 0.8556 0.8953 -0.0385 -0.1173 -0.2032 1003 THR B C 2439 O O . THR B 124 ? 1.2374 0.8498 0.8210 -0.0396 -0.1081 -0.2148 1003 THR B O 2440 C CB . THR B 124 ? 1.4533 0.9106 1.0671 -0.0194 -0.1486 -0.2696 1003 THR B CB 2441 O OG1 . THR B 124 ? 1.6267 1.0061 1.2271 -0.0321 -0.1826 -0.2937 1003 THR B OG1 2442 C CG2 . THR B 124 ? 1.3425 0.7866 0.9934 0.0098 -0.1414 -0.2639 1003 THR B CG2 2443 N N . ILE B 125 ? 1.1968 0.7869 0.8440 -0.0299 -0.1058 -0.1726 1004 ILE B N 2444 C CA . ILE B 125 ? 1.1238 0.7665 0.7777 -0.0186 -0.0815 -0.1526 1004 ILE B CA 2445 C C . ILE B 125 ? 1.1309 0.7708 0.8138 0.0060 -0.0637 -0.1574 1004 ILE B C 2446 O O . ILE B 125 ? 1.1092 0.7095 0.8155 0.0141 -0.0751 -0.1620 1004 ILE B O 2447 C CB . ILE B 125 ? 1.1088 0.7865 0.7759 -0.0325 -0.0864 -0.1148 1004 ILE B CB 2448 C CG1 . ILE B 125 ? 1.0854 0.7543 0.7900 -0.0377 -0.0920 -0.0948 1004 ILE B CG1 2449 C CG2 . ILE B 125 ? 1.1165 0.8141 0.7599 -0.0531 -0.1050 -0.1137 1004 ILE B CG2 2450 C CD1 . ILE B 125 ? 1.2015 0.8839 0.9345 -0.0192 -0.0740 -0.0812 1004 ILE B CD1 2451 N N . ILE B 126 ? 1.0929 0.7750 0.7726 0.0144 -0.0389 -0.1532 1005 ILE B N 2452 C CA . ILE B 126 ? 1.0666 0.7629 0.7772 0.0333 -0.0195 -0.1568 1005 ILE B CA 2453 C C . ILE B 126 ? 1.0929 0.8164 0.8185 0.0277 -0.0086 -0.1187 1005 ILE B C 2454 O O . ILE B 126 ? 1.1223 0.8686 0.8222 0.0161 -0.0022 -0.1015 1005 ILE B O 2455 C CB . ILE B 126 ? 1.1216 0.8488 0.8199 0.0451 0.0027 -0.1953 1005 ILE B CB 2456 C CG1 . ILE B 126 ? 1.1774 0.8780 0.8624 0.0549 -0.0107 -0.2414 1005 ILE B CG1 2457 C CG2 . ILE B 126 ? 1.0920 0.8425 0.8314 0.0642 0.0203 -0.2036 1005 ILE B CG2 2458 C CD1 . ILE B 126 ? 1.3415 1.0895 0.9905 0.0515 0.0100 -0.2757 1005 ILE B CD1 2459 N N . VAL B 127 ? 0.9912 0.7076 0.7556 0.0361 -0.0101 -0.1068 1006 VAL B N 2460 C CA . VAL B 127 ? 0.9334 0.6724 0.7184 0.0340 -0.0011 -0.0791 1006 VAL B CA 2461 C C . VAL B 127 ? 0.9928 0.7565 0.7931 0.0439 0.0227 -0.0903 1006 VAL B C 2462 O O . VAL B 127 ? 0.9899 0.7526 0.8095 0.0601 0.0256 -0.1165 1006 VAL B O 2463 C CB . VAL B 127 ? 0.9230 0.6532 0.7384 0.0322 -0.0152 -0.0613 1006 VAL B CB 2464 C CG1 . VAL B 127 ? 0.8710 0.6271 0.7046 0.0307 -0.0090 -0.0393 1006 VAL B CG1 2465 C CG2 . VAL B 127 ? 0.9374 0.6517 0.7394 0.0163 -0.0371 -0.0571 1006 VAL B CG2 2466 N N . ASN B 128 ? 0.9368 0.7226 0.7275 0.0331 0.0367 -0.0721 1007 ASN B N 2467 C CA . ASN B 128 ? 0.9144 0.7315 0.7160 0.0312 0.0611 -0.0790 1007 ASN B CA 2468 C C . ASN B 128 ? 0.9473 0.7635 0.7644 0.0232 0.0618 -0.0499 1007 ASN B C 2469 O O . ASN B 128 ? 0.9549 0.7524 0.7541 0.0152 0.0481 -0.0254 1007 ASN B O 2470 C CB . ASN B 128 ? 0.8445 0.6876 0.6025 0.0148 0.0790 -0.0896 1007 ASN B CB 2471 C CG . ASN B 128 ? 1.1399 0.9947 0.8899 0.0265 0.0823 -0.1311 1007 ASN B CG 2472 O OD1 . ASN B 128 ? 1.1795 1.0537 0.9648 0.0463 0.0900 -0.1641 1007 ASN B OD1 2473 N ND2 . ASN B 128 ? 1.1578 1.0010 0.8637 0.0175 0.0731 -0.1341 1007 ASN B ND2 2474 N N . TRP B 129 ? 0.8648 0.7014 0.7184 0.0279 0.0742 -0.0563 1008 TRP B N 2475 C CA . TRP B 129 ? 0.8334 0.6677 0.7064 0.0208 0.0742 -0.0354 1008 TRP B CA 2476 C C . TRP B 129 ? 0.8440 0.7150 0.7426 0.0149 0.0962 -0.0479 1008 TRP B C 2477 O O . TRP B 129 ? 0.8118 0.7182 0.7180 0.0199 0.1115 -0.0756 1008 TRP B O 2478 C CB . TRP B 129 ? 0.7883 0.6087 0.6924 0.0354 0.0550 -0.0295 1008 TRP B CB 2479 C CG . TRP B 129 ? 0.7819 0.6116 0.7167 0.0513 0.0527 -0.0474 1008 TRP B CG 2480 C CD1 . TRP B 129 ? 0.7912 0.6416 0.7621 0.0579 0.0575 -0.0537 1008 TRP B CD1 2481 C CD2 . TRP B 129 ? 0.8008 0.6122 0.7300 0.0622 0.0391 -0.0597 1008 TRP B CD2 2482 N NE1 . TRP B 129 ? 0.7928 0.6379 0.7796 0.0747 0.0451 -0.0666 1008 TRP B NE1 2483 C CE2 . TRP B 129 ? 0.8440 0.6595 0.8048 0.0771 0.0330 -0.0702 1008 TRP B CE2 2484 C CE3 . TRP B 129 ? 0.8578 0.6451 0.7565 0.0596 0.0280 -0.0632 1008 TRP B CE3 2485 C CZ2 . TRP B 129 ? 0.8629 0.6477 0.8230 0.0900 0.0125 -0.0806 1008 TRP B CZ2 2486 C CZ3 . TRP B 129 ? 0.9024 0.6623 0.8024 0.0697 0.0113 -0.0770 1008 TRP B CZ3 2487 C CH2 . TRP B 129 ? 0.9052 0.6584 0.8343 0.0849 0.0018 -0.0836 1008 TRP B CH2 2488 N N . GLN B 130 ? 0.8019 0.6686 0.7180 0.0053 0.0961 -0.0320 1009 GLN B N 2489 C CA . GLN B 130 ? 0.7873 0.6894 0.7305 -0.0064 0.1144 -0.0409 1009 GLN B CA 2490 C C . GLN B 130 ? 0.8089 0.7117 0.7974 0.0083 0.1036 -0.0426 1009 GLN B C 2491 O O . GLN B 130 ? 0.8195 0.6921 0.8090 0.0177 0.0845 -0.0300 1009 GLN B O 2492 C CB . GLN B 130 ? 0.8445 0.7339 0.7552 -0.0428 0.1231 -0.0179 1009 GLN B CB 2493 C CG . GLN B 130 ? 0.9241 0.8395 0.7905 -0.0683 0.1432 -0.0210 1009 GLN B CG 2494 C CD . GLN B 130 ? 1.1984 1.1904 1.0937 -0.0678 0.1706 -0.0589 1009 GLN B CD 2495 O OE1 . GLN B 130 ? 1.2199 1.2505 1.1525 -0.0770 0.1834 -0.0695 1009 GLN B OE1 2496 N NE2 . GLN B 130 ? 1.0433 1.0631 0.9254 -0.0552 0.1783 -0.0851 1009 GLN B NE2 2497 N N . PRO B 131 ? 0.7253 0.6704 0.7525 0.0102 0.1145 -0.0609 1010 PRO B N 2498 C CA . PRO B 131 ? 0.6950 0.6433 0.7593 0.0216 0.1023 -0.0619 1010 PRO B CA 2499 C C . PRO B 131 ? 0.7797 0.6985 0.8410 0.0064 0.0953 -0.0440 1010 PRO B C 2500 O O . PRO B 131 ? 0.8560 0.7550 0.8936 -0.0181 0.1018 -0.0305 1010 PRO B O 2501 C CB . PRO B 131 ? 0.7026 0.7087 0.8056 0.0215 0.1163 -0.0858 1010 PRO B CB 2502 C CG . PRO B 131 ? 0.7586 0.7959 0.8525 0.0216 0.1326 -0.1044 1010 PRO B CG 2503 C CD . PRO B 131 ? 0.7459 0.7487 0.7872 0.0005 0.1383 -0.0844 1010 PRO B CD 2504 N N . PRO B 132 ? 0.6872 0.6012 0.7698 0.0188 0.0799 -0.0446 1011 PRO B N 2505 C CA . PRO B 132 ? 0.6885 0.5761 0.7745 0.0101 0.0708 -0.0373 1011 PRO B CA 2506 C C . PRO B 132 ? 0.7493 0.6415 0.8476 -0.0146 0.0816 -0.0398 1011 PRO B C 2507 O O . PRO B 132 ? 0.7488 0.6859 0.8681 -0.0217 0.0964 -0.0531 1011 PRO B O 2508 C CB . PRO B 132 ? 0.6713 0.5768 0.7825 0.0273 0.0572 -0.0476 1011 PRO B CB 2509 C CG . PRO B 132 ? 0.7163 0.6564 0.8399 0.0370 0.0599 -0.0560 1011 PRO B CG 2510 C CD . PRO B 132 ? 0.6823 0.6142 0.7837 0.0390 0.0679 -0.0528 1011 PRO B CD 2511 N N . SER B 133 ? 0.7364 0.5814 0.8231 -0.0280 0.0709 -0.0284 1012 SER B N 2512 C CA . SER B 133 ? 0.7682 0.6032 0.8630 -0.0577 0.0758 -0.0283 1012 SER B CA 2513 C C . SER B 133 ? 0.7786 0.6509 0.9203 -0.0504 0.0740 -0.0532 1012 SER B C 2514 O O . SER B 133 ? 0.7630 0.6671 0.9245 -0.0726 0.0866 -0.0628 1012 SER B O 2515 C CB . SER B 133 ? 0.9021 0.6587 0.9707 -0.0687 0.0543 -0.0094 1012 SER B CB 2516 O OG . SER B 133 ? 1.1178 0.8444 1.1363 -0.0879 0.0574 0.0174 1012 SER B OG 2517 N N . GLU B 134 ? 0.7069 0.5836 0.8649 -0.0222 0.0585 -0.0650 1013 GLU B N 2518 C CA . GLU B 134 ? 0.6472 0.5628 0.8411 -0.0149 0.0545 -0.0884 1013 GLU B CA 2519 C C . GLU B 134 ? 0.6370 0.6038 0.8381 0.0052 0.0562 -0.0933 1013 GLU B C 2520 O O . GLU B 134 ? 0.5763 0.5555 0.7792 0.0209 0.0451 -0.0993 1013 GLU B O 2521 C CB . GLU B 134 ? 0.6715 0.5575 0.8758 -0.0041 0.0346 -0.1023 1013 GLU B CB 2522 C CG . GLU B 134 ? 0.7820 0.5994 0.9780 -0.0224 0.0236 -0.0965 1013 GLU B CG 2523 C CD . GLU B 134 ? 1.0411 0.8162 1.2492 -0.0029 -0.0031 -0.1144 1013 GLU B CD 2524 O OE1 . GLU B 134 ? 0.7467 0.5589 0.9711 0.0255 -0.0099 -0.1346 1013 GLU B OE1 2525 O OE2 . GLU B 134 ? 1.2101 0.9161 1.4122 -0.0175 -0.0190 -0.1106 1013 GLU B OE2 2526 N N . ALA B 135 ? 0.6385 0.6354 0.8428 0.0028 0.0685 -0.0917 1014 ALA B N 2527 C CA . ALA B 135 ? 0.6280 0.6592 0.8380 0.0223 0.0634 -0.0946 1014 ALA B CA 2528 C C . ALA B 135 ? 0.6892 0.7613 0.9252 0.0260 0.0528 -0.1090 1014 ALA B C 2529 O O . ALA B 135 ? 0.7018 0.7871 0.9312 0.0390 0.0389 -0.1054 1014 ALA B O 2530 C CB . ALA B 135 ? 0.6309 0.6848 0.8460 0.0241 0.0755 -0.0983 1014 ALA B CB 2531 N N . ASN B 136 ? 0.6172 0.7077 0.8780 0.0099 0.0578 -0.1237 1015 ASN B N 2532 C CA . ASN B 136 ? 0.5948 0.7271 0.8804 0.0084 0.0483 -0.1416 1015 ASN B CA 2533 C C . ASN B 136 ? 0.5999 0.7797 0.8987 0.0233 0.0373 -0.1443 1015 ASN B C 2534 O O . ASN B 136 ? 0.5488 0.7618 0.8564 0.0244 0.0238 -0.1535 1015 ASN B O 2535 C CB . ASN B 136 ? 0.6154 0.7380 0.8915 0.0118 0.0373 -0.1480 1015 ASN B CB 2536 C CG . ASN B 136 ? 0.6357 0.7085 0.9060 0.0058 0.0388 -0.1510 1015 ASN B CG 2537 O OD1 . ASN B 136 ? 0.6494 0.7133 0.9109 0.0168 0.0305 -0.1561 1015 ASN B OD1 2538 N ND2 . ASN B 136 ? 0.3424 0.3842 0.6181 -0.0134 0.0467 -0.1493 1015 ASN B ND2 2539 N N . GLY B 137 ? 0.5935 0.7749 0.8925 0.0357 0.0404 -0.1383 1016 GLY B N 2540 C CA . GLY B 137 ? 0.5871 0.8010 0.9011 0.0577 0.0238 -0.1421 1016 GLY B CA 2541 C C . GLY B 137 ? 0.6488 0.8440 0.9553 0.0753 0.0269 -0.1383 1016 GLY B C 2542 O O . GLY B 137 ? 0.6447 0.8099 0.9322 0.0658 0.0451 -0.1320 1016 GLY B O 2543 N N . LYS B 138 ? 0.6263 0.8369 0.9466 0.1027 0.0056 -0.1437 1017 LYS B N 2544 C CA . LYS B 138 ? 0.6521 0.8444 0.9695 0.1255 0.0036 -0.1484 1017 LYS B CA 2545 C C . LYS B 138 ? 0.7578 0.8794 1.0258 0.1276 -0.0088 -0.1217 1017 LYS B C 2546 O O . LYS B 138 ? 0.7989 0.8970 1.0447 0.1284 -0.0341 -0.1025 1017 LYS B O 2547 C CB . LYS B 138 ? 0.7048 0.9329 1.0601 0.1601 -0.0224 -0.1689 1017 LYS B CB 2548 C CG . LYS B 138 ? 0.8837 1.0988 1.2462 0.1911 -0.0280 -0.1860 1017 LYS B CG 2549 C CD . LYS B 138 ? 0.9920 1.2288 1.3924 0.2339 -0.0666 -0.2058 1017 LYS B CD 2550 C CE . LYS B 138 ? 1.2912 1.4917 1.6915 0.2698 -0.0826 -0.2222 1017 LYS B CE 2551 N NZ . LYS B 138 ? 1.4562 1.7394 1.9189 0.2974 -0.0708 -0.2758 1017 LYS B NZ 2552 N N . ILE B 139 ? 0.6983 0.7920 0.9464 0.1231 0.0093 -0.1203 1018 ILE B N 2553 C CA . ILE B 139 ? 0.6942 0.7279 0.8990 0.1220 -0.0003 -0.0990 1018 ILE B CA 2554 C C . ILE B 139 ? 0.7910 0.7925 0.9902 0.1487 -0.0321 -0.0986 1018 ILE B C 2555 O O . ILE B 139 ? 0.7868 0.8012 1.0107 0.1739 -0.0345 -0.1238 1018 ILE B O 2556 C CB . ILE B 139 ? 0.7139 0.7281 0.8965 0.1086 0.0245 -0.0974 1018 ILE B CB 2557 C CG1 . ILE B 139 ? 0.6841 0.7097 0.8662 0.0826 0.0450 -0.0918 1018 ILE B CG1 2558 C CG2 . ILE B 139 ? 0.7466 0.7066 0.8892 0.1084 0.0118 -0.0797 1018 ILE B CG2 2559 C CD1 . ILE B 139 ? 0.6824 0.7015 0.8575 0.0717 0.0343 -0.0784 1018 ILE B CD1 2560 N N . THR B 140 ? 0.7736 0.7350 0.9402 0.1413 -0.0584 -0.0719 1019 THR B N 2561 C CA . THR B 140 ? 0.8227 0.7328 0.9726 0.1594 -0.0976 -0.0620 1019 THR B CA 2562 C C . THR B 140 ? 0.8935 0.7400 1.0031 0.1512 -0.1029 -0.0492 1019 THR B C 2563 O O . THR B 140 ? 0.9733 0.7612 1.0642 0.1630 -0.1376 -0.0409 1019 THR B O 2564 C CB . THR B 140 ? 0.9100 0.8167 1.0427 0.1487 -0.1274 -0.0370 1019 THR B CB 2565 O OG1 . THR B 140 ? 0.9716 0.8843 1.0716 0.1119 -0.1137 -0.0157 1019 THR B OG1 2566 C CG2 . THR B 140 ? 0.8394 0.8055 1.0123 0.1608 -0.1295 -0.0529 1019 THR B CG2 2567 N N . GLY B 141 ? 0.7692 0.6230 0.8648 0.1307 -0.0736 -0.0470 1020 GLY B N 2568 C CA . GLY B 141 ? 0.7914 0.5954 0.8514 0.1204 -0.0782 -0.0372 1020 GLY B CA 2569 C C . GLY B 141 ? 0.8098 0.6314 0.8545 0.0948 -0.0529 -0.0288 1020 GLY B C 2570 O O . GLY B 141 ? 0.7829 0.6478 0.8451 0.0875 -0.0331 -0.0316 1020 GLY B O 2571 N N . TYR B 142 ? 0.7898 0.5762 0.8042 0.0828 -0.0572 -0.0207 1021 TYR B N 2572 C CA . TYR B 142 ? 0.7691 0.5712 0.7697 0.0621 -0.0407 -0.0138 1021 TYR B CA 2573 C C . TYR B 142 ? 0.8218 0.5965 0.7893 0.0379 -0.0590 0.0045 1021 TYR B C 2574 O O . TYR B 142 ? 0.8624 0.5895 0.8109 0.0358 -0.0846 0.0132 1021 TYR B O 2575 C CB . TYR B 142 ? 0.8011 0.6012 0.8001 0.0709 -0.0218 -0.0293 1021 TYR B CB 2576 C CG . TYR B 142 ? 0.8273 0.6611 0.8528 0.0825 0.0002 -0.0446 1021 TYR B CG 2577 C CD1 . TYR B 142 ? 0.8128 0.6738 0.8478 0.0723 0.0161 -0.0402 1021 TYR B CD1 2578 C CD2 . TYR B 142 ? 0.8802 0.7206 0.9231 0.1023 0.0033 -0.0663 1021 TYR B CD2 2579 C CE1 . TYR B 142 ? 0.8126 0.6993 0.8675 0.0737 0.0345 -0.0508 1021 TYR B CE1 2580 C CE2 . TYR B 142 ? 0.8827 0.7660 0.9498 0.1044 0.0261 -0.0811 1021 TYR B CE2 2581 C CZ . TYR B 142 ? 0.9678 0.8704 1.0375 0.0861 0.0417 -0.0701 1021 TYR B CZ 2582 O OH . TYR B 142 ? 1.0293 0.9684 1.1183 0.0794 0.0624 -0.0812 1021 TYR B OH 2583 N N . ILE B 143 ? 0.7573 0.5616 0.7189 0.0187 -0.0489 0.0092 1022 ILE B N 2584 C CA . ILE B 143 ? 0.7771 0.5723 0.7109 -0.0102 -0.0614 0.0223 1022 ILE B CA 2585 C C . ILE B 143 ? 0.8314 0.6446 0.7656 -0.0113 -0.0494 0.0132 1022 ILE B C 2586 O O . ILE B 143 ? 0.8084 0.6660 0.7633 -0.0058 -0.0356 0.0058 1022 ILE B O 2587 C CB . ILE B 143 ? 0.8017 0.6319 0.7250 -0.0425 -0.0692 0.0387 1022 ILE B CB 2588 C CG1 . ILE B 143 ? 0.8235 0.6272 0.7362 -0.0436 -0.0887 0.0538 1022 ILE B CG1 2589 C CG2 . ILE B 143 ? 0.7826 0.6112 0.6764 -0.0803 -0.0795 0.0504 1022 ILE B CG2 2590 C CD1 . ILE B 143 ? 0.8131 0.6558 0.7050 -0.0820 -0.0962 0.0729 1022 ILE B CD1 2591 N N . ILE B 144 ? 0.7971 0.5716 0.7073 -0.0177 -0.0593 0.0126 1023 ILE B N 2592 C CA . ILE B 144 ? 0.7483 0.5367 0.6515 -0.0226 -0.0550 0.0060 1023 ILE B CA 2593 C C . ILE B 144 ? 0.7770 0.5950 0.6708 -0.0572 -0.0649 0.0146 1023 ILE B C 2594 O O . ILE B 144 ? 0.7932 0.5882 0.6664 -0.0842 -0.0800 0.0284 1023 ILE B O 2595 C CB . ILE B 144 ? 0.7994 0.5383 0.6813 -0.0117 -0.0593 -0.0052 1023 ILE B CB 2596 C CG1 . ILE B 144 ? 0.7827 0.5130 0.6769 0.0183 -0.0450 -0.0187 1023 ILE B CG1 2597 C CG2 . ILE B 144 ? 0.7744 0.5282 0.6426 -0.0198 -0.0594 -0.0103 1023 ILE B CG2 2598 C CD1 . ILE B 144 ? 0.8431 0.5429 0.7193 0.0303 -0.0445 -0.0379 1023 ILE B CD1 2599 N N . TYR B 145 ? 0.7385 0.6082 0.6467 -0.0580 -0.0589 0.0064 1024 TYR B N 2600 C CA . TYR B 145 ? 0.7338 0.6540 0.6416 -0.0900 -0.0657 0.0062 1024 TYR B CA 2601 C C . TYR B 145 ? 0.7879 0.7145 0.6929 -0.0837 -0.0706 -0.0044 1024 TYR B C 2602 O O . TYR B 145 ? 0.7898 0.7178 0.7067 -0.0530 -0.0655 -0.0119 1024 TYR B O 2603 C CB . TYR B 145 ? 0.7011 0.7039 0.6426 -0.0909 -0.0562 -0.0033 1024 TYR B CB 2604 C CG . TYR B 145 ? 0.7173 0.7275 0.6605 -0.0982 -0.0510 0.0048 1024 TYR B CG 2605 C CD1 . TYR B 145 ? 0.7188 0.7144 0.6799 -0.0665 -0.0419 0.0006 1024 TYR B CD1 2606 C CD2 . TYR B 145 ? 0.7521 0.7927 0.6774 -0.1417 -0.0558 0.0168 1024 TYR B CD2 2607 C CE1 . TYR B 145 ? 0.7411 0.7499 0.7040 -0.0733 -0.0394 0.0062 1024 TYR B CE1 2608 C CE2 . TYR B 145 ? 0.7572 0.8087 0.6777 -0.1508 -0.0537 0.0261 1024 TYR B CE2 2609 C CZ . TYR B 145 ? 0.8222 0.8602 0.7638 -0.1140 -0.0459 0.0189 1024 TYR B CZ 2610 O OH . TYR B 145 ? 0.8618 0.9170 0.7988 -0.1234 -0.0459 0.0260 1024 TYR B OH 2611 N N . TYR B 146 ? 0.7603 0.6911 0.6473 -0.1157 -0.0829 -0.0036 1025 TYR B N 2612 C CA . TYR B 146 ? 0.7657 0.7161 0.6519 -0.1124 -0.0907 -0.0154 1025 TYR B CA 2613 C C . TYR B 146 ? 0.8586 0.8796 0.7545 -0.1498 -0.0991 -0.0218 1025 TYR B C 2614 O O . TYR B 146 ? 0.8820 0.9130 0.7668 -0.1919 -0.1009 -0.0121 1025 TYR B O 2615 C CB . TYR B 146 ? 0.8260 0.7043 0.6776 -0.1052 -0.0975 -0.0167 1025 TYR B CB 2616 C CG . TYR B 146 ? 0.9238 0.7434 0.7435 -0.1367 -0.1106 -0.0114 1025 TYR B CG 2617 C CD1 . TYR B 146 ? 0.9702 0.7240 0.7773 -0.1310 -0.1123 -0.0033 1025 TYR B CD1 2618 C CD2 . TYR B 146 ? 0.9681 0.7921 0.7706 -0.1709 -0.1260 -0.0160 1025 TYR B CD2 2619 C CE1 . TYR B 146 ? 1.0527 0.7360 0.8294 -0.1559 -0.1327 0.0015 1025 TYR B CE1 2620 C CE2 . TYR B 146 ? 1.0429 0.7974 0.8128 -0.2025 -0.1433 -0.0107 1025 TYR B CE2 2621 C CZ . TYR B 146 ? 1.1760 0.8532 0.9318 -0.1925 -0.1485 -0.0019 1025 TYR B CZ 2622 O OH . TYR B 146 ? 1.2665 0.8597 0.9894 -0.2195 -0.1736 0.0029 1025 TYR B OH 2623 N N . SER B 147 ? 0.8186 0.8940 0.7353 -0.1366 -0.1059 -0.0377 1026 SER B N 2624 C CA . SER B 147 ? 0.8187 0.9821 0.7555 -0.1679 -0.1138 -0.0515 1026 SER B CA 2625 C C . SER B 147 ? 0.9064 1.0920 0.8488 -0.1510 -0.1306 -0.0658 1026 SER B C 2626 O O . SER B 147 ? 0.8959 1.0463 0.8346 -0.1091 -0.1352 -0.0650 1026 SER B O 2627 C CB . SER B 147 ? 0.8258 1.0892 0.8109 -0.1634 -0.1041 -0.0673 1026 SER B CB 2628 O OG . SER B 147 ? 1.0404 1.4047 1.0456 -0.2048 -0.1068 -0.0831 1026 SER B OG 2629 N N . THR B 148 ? 0.9048 1.1531 0.8542 -0.1877 -0.1415 -0.0776 1027 THR B N 2630 C CA . THR B 148 ? 0.9224 1.2104 0.8825 -0.1746 -0.1616 -0.0940 1027 THR B CA 2631 C C . THR B 148 ? 0.9660 1.3577 0.9884 -0.1404 -0.1674 -0.1179 1027 THR B C 2632 O O . THR B 148 ? 0.9991 1.4138 1.0368 -0.1074 -0.1893 -0.1296 1027 THR B O 2633 C CB . THR B 148 ? 1.0457 1.3581 0.9894 -0.2302 -0.1724 -0.0996 1027 THR B CB 2634 O OG1 . THR B 148 ? 1.1183 1.5184 1.0881 -0.2767 -0.1631 -0.1063 1027 THR B OG1 2635 C CG2 . THR B 148 ? 1.0254 1.2220 0.9091 -0.2548 -0.1743 -0.0826 1027 THR B CG2 2636 N N . ASP B 149 ? 0.8823 1.3352 0.9393 -0.1466 -0.1510 -0.1269 1028 ASP B N 2637 C CA . ASP B 149 ? 0.8570 1.4117 0.9796 -0.1111 -0.1553 -0.1586 1028 ASP B CA 2638 C C . ASP B 149 ? 0.9059 1.4171 1.0369 -0.0732 -0.1429 -0.1533 1028 ASP B C 2639 O O . ASP B 149 ? 0.9035 1.4025 1.0214 -0.0980 -0.1210 -0.1424 1028 ASP B O 2640 C CB . ASP B 149 ? 0.8741 1.5684 1.0366 -0.1556 -0.1457 -0.1861 1028 ASP B CB 2641 C CG . ASP B 149 ? 0.9909 1.8086 1.2294 -0.1184 -0.1475 -0.2305 1028 ASP B CG 2642 O OD1 . ASP B 149 ? 0.9917 1.8096 1.2644 -0.0563 -0.1724 -0.2482 1028 ASP B OD1 2643 O OD2 . ASP B 149 ? 1.0966 2.0131 1.3592 -0.1524 -0.1270 -0.2495 1028 ASP B OD2 2644 N N . VAL B 150 ? 0.8572 1.3416 1.0072 -0.0157 -0.1608 -0.1595 1029 VAL B N 2645 C CA . VAL B 150 ? 0.8332 1.2700 0.9932 0.0231 -0.1554 -0.1566 1029 VAL B CA 2646 C C . VAL B 150 ? 0.8847 1.4189 1.1005 0.0277 -0.1435 -0.1907 1029 VAL B C 2647 O O . VAL B 150 ? 0.8919 1.3946 1.1058 0.0345 -0.1275 -0.1862 1029 VAL B O 2648 C CB . VAL B 150 ? 0.8930 1.2707 1.0527 0.0761 -0.1850 -0.1516 1029 VAL B CB 2649 C CG1 . VAL B 150 ? 0.8973 1.3608 1.1118 0.1090 -0.2184 -0.1860 1029 VAL B CG1 2650 C CG2 . VAL B 150 ? 0.8815 1.1882 1.0399 0.1066 -0.1800 -0.1418 1029 VAL B CG2 2651 N N . ASN B 151 ? 0.8345 1.4950 1.0998 0.0214 -0.1502 -0.2282 1030 ASN B N 2652 C CA . ASN B 151 ? 0.8206 1.5990 1.1443 0.0261 -0.1386 -0.2717 1030 ASN B CA 2653 C C . ASN B 151 ? 0.8557 1.7013 1.1618 -0.0424 -0.1060 -0.2685 1030 ASN B C 2654 O O . ASN B 151 ? 0.8520 1.8109 1.2008 -0.0475 -0.0921 -0.3064 1030 ASN B O 2655 C CB . ASN B 151 ? 0.8804 1.7781 1.2773 0.0620 -0.1650 -0.3237 1030 ASN B CB 2656 C CG . ASN B 151 ? 1.2435 2.0652 1.6507 0.1282 -0.2059 -0.3214 1030 ASN B CG 2657 O OD1 . ASN B 151 ? 1.2331 1.9650 1.6355 0.1695 -0.2152 -0.3122 1030 ASN B OD1 2658 N ND2 . ASN B 151 ? 1.1074 1.9581 1.5226 0.1345 -0.2333 -0.3259 1030 ASN B ND2 2659 N N . ALA B 152 ? 0.8039 1.5790 1.0452 -0.0954 -0.0963 -0.2248 1031 ALA B N 2660 C CA . ALA B 152 ? 0.8075 1.6202 1.0177 -0.1662 -0.0731 -0.2104 1031 ALA B CA 2661 C C . ALA B 152 ? 0.8544 1.6420 1.0524 -0.1645 -0.0542 -0.2020 1031 ALA B C 2662 O O . ALA B 152 ? 0.8373 1.5283 1.0268 -0.1207 -0.0575 -0.1887 1031 ALA B O 2663 C CB . ALA B 152 ? 0.8499 1.5664 0.9936 -0.2131 -0.0769 -0.1661 1031 ALA B CB 2664 N N . GLU B 153 ? 0.8281 1.7096 1.0238 -0.2155 -0.0346 -0.2107 1032 GLU B N 2665 C CA . GLU B 153 ? 0.8288 1.6977 1.0075 -0.2213 -0.0182 -0.2026 1032 GLU B CA 2666 C C . GLU B 153 ? 0.8993 1.6164 1.0092 -0.2371 -0.0218 -0.1457 1032 GLU B C 2667 O O . GLU B 153 ? 0.9258 1.5795 0.9944 -0.2697 -0.0315 -0.1147 1032 GLU B O 2668 C CB . GLU B 153 ? 0.8652 1.8758 1.0467 -0.2812 0.0024 -0.2222 1032 GLU B CB 2669 C CG . GLU B 153 ? 1.0135 2.1689 1.2715 -0.2435 0.0111 -0.2904 1032 GLU B CG 2670 C CD . GLU B 153 ? 1.4792 2.8143 1.7518 -0.3030 0.0339 -0.3246 1032 GLU B CD 2671 O OE1 . GLU B 153 ? 1.5822 2.9642 1.8245 -0.3744 0.0387 -0.3059 1032 GLU B OE1 2672 O OE2 . GLU B 153 ? 1.4620 2.8973 1.7779 -0.2796 0.0468 -0.3744 1032 GLU B OE2 2673 N N . ILE B 154 ? 0.8349 1.4934 0.9375 -0.2089 -0.0168 -0.1369 1033 ILE B N 2674 C CA . ILE B 154 ? 0.8403 1.3629 0.8905 -0.2108 -0.0223 -0.0915 1033 ILE B CA 2675 C C . ILE B 154 ? 0.9501 1.4273 0.9376 -0.2751 -0.0278 -0.0499 1033 ILE B C 2676 O O . ILE B 154 ? 0.9568 1.3178 0.9090 -0.2706 -0.0411 -0.0200 1033 ILE B O 2677 C CB . ILE B 154 ? 0.8461 1.3329 0.9069 -0.1719 -0.0163 -0.0948 1033 ILE B CB 2678 C CG1 . ILE B 154 ? 0.8538 1.2039 0.8820 -0.1505 -0.0245 -0.0607 1033 ILE B CG1 2679 C CG2 . ILE B 154 ? 0.8502 1.4128 0.9045 -0.2043 -0.0031 -0.1013 1033 ILE B CG2 2680 C CD1 . ILE B 154 ? 0.8970 1.1882 0.9340 -0.1139 -0.0337 -0.0620 1033 ILE B CD1 2681 N N . HIS B 155 ? 0.9635 1.5317 0.9360 -0.3360 -0.0197 -0.0497 1034 HIS B N 2682 C CA . HIS B 155 ? 1.0515 1.5731 0.9577 -0.4064 -0.0301 -0.0061 1034 HIS B CA 2683 C C . HIS B 155 ? 1.0788 1.5553 0.9692 -0.4288 -0.0452 0.0049 1034 HIS B C 2684 O O . HIS B 155 ? 1.1393 1.5083 0.9745 -0.4607 -0.0642 0.0438 1034 HIS B O 2685 C CB . HIS B 155 ? 1.1270 1.7644 1.0140 -0.4748 -0.0167 -0.0064 1034 HIS B CB 2686 C CG . HIS B 155 ? 1.1726 1.9843 1.1162 -0.4833 0.0037 -0.0591 1034 HIS B CG 2687 N ND1 . HIS B 155 ? 1.2328 2.1104 1.1856 -0.5240 0.0026 -0.0696 1034 HIS B ND1 2688 C CD2 . HIS B 155 ? 1.1706 2.1071 1.1654 -0.4579 0.0234 -0.1075 1034 HIS B CD2 2689 C CE1 . HIS B 155 ? 1.1935 2.2385 1.2070 -0.5180 0.0217 -0.1249 1034 HIS B CE1 2690 N NE2 . HIS B 155 ? 1.1611 2.2449 1.2024 -0.4763 0.0341 -0.1514 1034 HIS B NE2 2691 N N . ASP B 156 ? 0.9619 1.5134 0.9024 -0.4061 -0.0410 -0.0319 1035 ASP B N 2692 C CA . ASP B 156 ? 0.9668 1.4944 0.9010 -0.4220 -0.0552 -0.0304 1035 ASP B CA 2693 C C . ASP B 156 ? 0.9634 1.3554 0.8845 -0.3716 -0.0709 -0.0182 1035 ASP B C 2694 O O . ASP B 156 ? 0.9969 1.3384 0.8945 -0.3917 -0.0859 -0.0092 1035 ASP B O 2695 C CB . ASP B 156 ? 0.9594 1.6324 0.9546 -0.4166 -0.0483 -0.0768 1035 ASP B CB 2696 C CG . ASP B 156 ? 1.2277 2.0578 1.2386 -0.4741 -0.0301 -0.0971 1035 ASP B CG 2697 O OD1 . ASP B 156 ? 1.2948 2.1122 1.2508 -0.5416 -0.0260 -0.0639 1035 ASP B OD1 2698 O OD2 . ASP B 156 ? 1.3245 2.2930 1.4015 -0.4523 -0.0218 -0.1474 1035 ASP B OD2 2699 N N . TRP B 157 ? 0.8483 1.1861 0.7826 -0.3109 -0.0667 -0.0196 1036 TRP B N 2700 C CA . TRP B 157 ? 0.8203 1.0431 0.7410 -0.2657 -0.0765 -0.0103 1036 TRP B CA 2701 C C . TRP B 157 ? 0.9164 1.0265 0.7826 -0.2912 -0.0897 0.0233 1036 TRP B C 2702 O O . TRP B 157 ? 0.9459 1.0541 0.7861 -0.3304 -0.0917 0.0441 1036 TRP B O 2703 C CB . TRP B 157 ? 0.7467 0.9584 0.6971 -0.2050 -0.0663 -0.0214 1036 TRP B CB 2704 C CG . TRP B 157 ? 0.7078 0.9906 0.7085 -0.1658 -0.0641 -0.0533 1036 TRP B CG 2705 C CD1 . TRP B 157 ? 0.7243 1.1270 0.7677 -0.1717 -0.0598 -0.0830 1036 TRP B CD1 2706 C CD2 . TRP B 157 ? 0.6812 0.9186 0.6944 -0.1135 -0.0697 -0.0595 1036 TRP B CD2 2707 N NE1 . TRP B 157 ? 0.6948 1.1204 0.7796 -0.1203 -0.0678 -0.1082 1036 TRP B NE1 2708 C CE2 . TRP B 157 ? 0.7131 1.0333 0.7750 -0.0875 -0.0748 -0.0899 1036 TRP B CE2 2709 C CE3 . TRP B 157 ? 0.6955 0.8344 0.6820 -0.0884 -0.0722 -0.0436 1036 TRP B CE3 2710 C CZ2 . TRP B 157 ? 0.6896 0.9801 0.7669 -0.0390 -0.0874 -0.0971 1036 TRP B CZ2 2711 C CZ3 . TRP B 157 ? 0.6942 0.8160 0.6927 -0.0478 -0.0785 -0.0508 1036 TRP B CZ3 2712 C CH2 . TRP B 157 ? 0.6883 0.8772 0.7282 -0.0244 -0.0885 -0.0736 1036 TRP B CH2 2713 N N . VAL B 158 ? 0.8999 0.9169 0.7468 -0.2695 -0.1019 0.0268 1037 VAL B N 2714 C CA . VAL B 158 ? 0.9340 0.8349 0.7362 -0.2814 -0.1203 0.0497 1037 VAL B CA 2715 C C . VAL B 158 ? 1.0304 0.8845 0.8407 -0.2339 -0.1146 0.0527 1037 VAL B C 2716 O O . VAL B 158 ? 0.9803 0.8444 0.8174 -0.1869 -0.1015 0.0353 1037 VAL B O 2717 C CB . VAL B 158 ? 0.9557 0.7921 0.7378 -0.2802 -0.1358 0.0415 1037 VAL B CB 2718 C CG1 . VAL B 158 ? 1.0207 0.7345 0.7611 -0.2896 -0.1603 0.0577 1037 VAL B CG1 2719 C CG2 . VAL B 158 ? 0.9493 0.8506 0.7317 -0.3268 -0.1402 0.0343 1037 VAL B CG2 2720 N N . ILE B 159 ? 1.0914 0.8983 0.8774 -0.2494 -0.1264 0.0760 1038 ILE B N 2721 C CA . ILE B 159 ? 1.0797 0.8496 0.8753 -0.2084 -0.1246 0.0786 1038 ILE B CA 2722 C C . ILE B 159 ? 1.1547 0.8189 0.9349 -0.1799 -0.1435 0.0764 1038 ILE B C 2723 O O . ILE B 159 ? 1.2242 0.8138 0.9690 -0.2059 -0.1711 0.0896 1038 ILE B O 2724 C CB . ILE B 159 ? 1.1527 0.9437 0.9337 -0.2366 -0.1293 0.1020 1038 ILE B CB 2725 C CG1 . ILE B 159 ? 1.1236 1.0372 0.9354 -0.2455 -0.1031 0.0881 1038 ILE B CG1 2726 C CG2 . ILE B 159 ? 1.1716 0.9098 0.9564 -0.1989 -0.1377 0.1078 1038 ILE B CG2 2727 C CD1 . ILE B 159 ? 1.2848 1.2886 1.0898 -0.3044 -0.0973 0.0868 1038 ILE B CD1 2728 N N . GLU B 160 ? 1.0661 0.7268 0.8737 -0.1284 -0.1296 0.0566 1039 GLU B N 2729 C CA . GLU B 160 ? 1.1081 0.6931 0.9123 -0.0938 -0.1418 0.0431 1039 GLU B CA 2730 C C . GLU B 160 ? 1.1484 0.7422 0.9803 -0.0553 -0.1332 0.0374 1039 GLU B C 2731 O O . GLU B 160 ? 1.0816 0.7218 0.9414 -0.0292 -0.1074 0.0212 1039 GLU B O 2732 C CB . GLU B 160 ? 1.1160 0.7009 0.9224 -0.0761 -0.1309 0.0173 1039 GLU B CB 2733 C CG . GLU B 160 ? 1.2101 0.7558 0.9854 -0.1076 -0.1502 0.0165 1039 GLU B CG 2734 C CD . GLU B 160 ? 1.5198 0.9661 1.2725 -0.0996 -0.1797 0.0064 1039 GLU B CD 2735 O OE1 . GLU B 160 ? 1.2857 0.6948 1.0509 -0.0629 -0.1866 -0.0037 1039 GLU B OE1 2736 O OE2 . GLU B 160 ? 1.5897 0.9969 1.3153 -0.1287 -0.1979 0.0043 1039 GLU B OE2 2737 N N . PRO B 161 ? 1.1764 0.7265 0.9993 -0.0548 -0.1574 0.0528 1040 PRO B N 2738 C CA . PRO B 161 ? 1.1421 0.7111 0.9955 -0.0196 -0.1512 0.0454 1040 PRO B CA 2739 C C . PRO B 161 ? 1.2365 0.7778 1.1125 0.0271 -0.1513 0.0140 1040 PRO B C 2740 O O . PRO B 161 ? 1.3097 0.7868 1.1716 0.0367 -0.1726 0.0014 1040 PRO B O 2741 C CB . PRO B 161 ? 1.2134 0.7450 1.0432 -0.0387 -0.1837 0.0753 1040 PRO B CB 2742 C CG . PRO B 161 ? 1.3286 0.8295 1.1123 -0.0925 -0.2017 0.1018 1040 PRO B CG 2743 C CD . PRO B 161 ? 1.2820 0.7634 1.0641 -0.0897 -0.1949 0.0808 1040 PRO B CD 2744 N N . VAL B 162 ? 1.1582 0.7533 1.0702 0.0538 -0.1269 -0.0024 1041 VAL B N 2745 C CA . VAL B 162 ? 1.1619 0.7620 1.1032 0.0948 -0.1187 -0.0366 1041 VAL B CA 2746 C C . VAL B 162 ? 1.2129 0.8274 1.1837 0.1171 -0.1303 -0.0372 1041 VAL B C 2747 O O . VAL B 162 ? 1.1684 0.8366 1.1551 0.1090 -0.1134 -0.0275 1041 VAL B O 2748 C CB . VAL B 162 ? 1.1462 0.8066 1.1013 0.0977 -0.0782 -0.0538 1041 VAL B CB 2749 C CG1 . VAL B 162 ? 1.1540 0.8316 1.1335 0.1305 -0.0664 -0.0914 1041 VAL B CG1 2750 C CG2 . VAL B 162 ? 1.1359 0.7902 1.0610 0.0740 -0.0711 -0.0474 1041 VAL B CG2 2751 N N . VAL B 163 ? 1.2179 0.7839 1.1970 0.1465 -0.1627 -0.0511 1042 VAL B N 2752 C CA . VAL B 163 ? 1.2202 0.7996 1.2297 0.1725 -0.1810 -0.0541 1042 VAL B CA 2753 C C . VAL B 163 ? 1.2574 0.9030 1.3204 0.2102 -0.1569 -0.0985 1042 VAL B C 2754 O O . VAL B 163 ? 1.2830 0.9281 1.3592 0.2339 -0.1504 -0.1356 1042 VAL B O 2755 C CB . VAL B 163 ? 1.3462 0.8386 1.3340 0.1798 -0.2391 -0.0342 1042 VAL B CB 2756 C CG1 . VAL B 163 ? 1.4230 0.8369 1.4060 0.2070 -0.2689 -0.0601 1042 VAL B CG1 2757 C CG2 . VAL B 163 ? 1.3437 0.8580 1.3604 0.2047 -0.2611 -0.0325 1042 VAL B CG2 2758 N N . GLY B 164 ? 1.1629 0.8720 1.2544 0.2099 -0.1424 -0.0957 1043 GLY B N 2759 C CA . GLY B 164 ? 1.1269 0.9144 1.2692 0.2323 -0.1160 -0.1320 1043 GLY B CA 2760 C C . GLY B 164 ? 1.1505 0.9884 1.2889 0.2072 -0.0672 -0.1369 1043 GLY B C 2761 O O . GLY B 164 ? 1.1480 0.9580 1.2481 0.1805 -0.0574 -0.1159 1043 GLY B O 2762 N N . ASN B 165 ? 1.0860 0.9983 1.2627 0.2133 -0.0389 -0.1640 1044 ASN B N 2763 C CA . ASN B 165 ? 1.0570 1.0075 1.2229 0.1853 0.0027 -0.1644 1044 ASN B CA 2764 C C . ASN B 165 ? 1.1612 1.1099 1.3105 0.1905 0.0171 -0.1899 1044 ASN B C 2765 O O . ASN B 165 ? 1.1835 1.1947 1.3526 0.1920 0.0434 -0.2214 1044 ASN B O 2766 C CB . ASN B 165 ? 1.0485 1.0738 1.2506 0.1744 0.0277 -0.1748 1044 ASN B CB 2767 C CG . ASN B 165 ? 1.3085 1.3540 1.4896 0.1379 0.0634 -0.1642 1044 ASN B CG 2768 O OD1 . ASN B 165 ? 1.1361 1.1513 1.2916 0.1150 0.0648 -0.1337 1044 ASN B OD1 2769 N ND2 . ASN B 165 ? 1.2106 1.3090 1.4006 0.1311 0.0907 -0.1907 1044 ASN B ND2 2770 N N . ARG B 166 ? 1.1284 1.0107 1.2397 0.1896 -0.0007 -0.1782 1045 ARG B N 2771 C CA . ARG B 166 ? 1.1374 1.0097 1.2232 0.1899 0.0093 -0.1989 1045 ARG B CA 2772 C C . ARG B 166 ? 1.1080 0.9852 1.1564 0.1517 0.0339 -0.1695 1045 ARG B C 2773 O O . ARG B 166 ? 1.0749 0.9310 1.1125 0.1338 0.0276 -0.1344 1045 ARG B O 2774 C CB . ARG B 166 ? 1.2120 1.0035 1.2736 0.2021 -0.0268 -0.1968 1045 ARG B CB 2775 C CG . ARG B 166 ? 1.5087 1.2705 1.6011 0.2429 -0.0634 -0.2220 1045 ARG B CG 2776 C CD . ARG B 166 ? 1.7923 1.4572 1.8512 0.2449 -0.1027 -0.2120 1045 ARG B CD 2777 N NE . ARG B 166 ? 2.0895 1.7069 2.1737 0.2863 -0.1473 -0.2335 1045 ARG B NE 2778 C CZ . ARG B 166 ? 2.3724 1.9719 2.4739 0.3244 -0.1632 -0.2842 1045 ARG B CZ 2779 N NH1 . ARG B 166 ? 2.2549 1.8882 2.3469 0.3216 -0.1338 -0.3187 1045 ARG B NH1 2780 N NH2 . ARG B 166 ? 2.2357 1.7823 2.3627 0.3667 -0.2120 -0.3027 1045 ARG B NH2 2781 N N . LEU B 167 ? 1.0191 0.9279 1.0478 0.1396 0.0600 -0.1851 1046 LEU B N 2782 C CA . LEU B 167 ? 0.9659 0.8713 0.9561 0.1060 0.0759 -0.1548 1046 LEU B CA 2783 C C . LEU B 167 ? 1.0368 0.9062 0.9811 0.0984 0.0687 -0.1518 1046 LEU B C 2784 O O . LEU B 167 ? 1.0403 0.9078 0.9492 0.0745 0.0776 -0.1307 1046 LEU B O 2785 C CB . LEU B 167 ? 0.9435 0.9075 0.9356 0.0838 0.1080 -0.1577 1046 LEU B CB 2786 C CG . LEU B 167 ? 0.9429 0.9413 0.9777 0.0826 0.1144 -0.1556 1046 LEU B CG 2787 C CD1 . LEU B 167 ? 0.9525 1.0052 0.9822 0.0515 0.1458 -0.1581 1046 LEU B CD1 2788 C CD2 . LEU B 167 ? 0.9399 0.8989 0.9765 0.0763 0.0979 -0.1205 1046 LEU B CD2 2789 N N . THR B 168 ? 1.0035 0.8375 0.9483 0.1191 0.0469 -0.1719 1047 THR B N 2790 C CA . THR B 168 ? 1.0174 0.8138 0.9235 0.1133 0.0350 -0.1754 1047 THR B CA 2791 C C . THR B 168 ? 1.0593 0.7895 0.9671 0.1231 -0.0009 -0.1701 1047 THR B C 2792 O O . THR B 168 ? 1.0700 0.7815 1.0076 0.1437 -0.0189 -0.1763 1047 THR B O 2793 C CB . THR B 168 ? 1.1046 0.9349 0.9964 0.1198 0.0519 -0.2183 1047 THR B CB 2794 O OG1 . THR B 168 ? 1.2140 1.0104 1.0629 0.1087 0.0407 -0.2186 1047 THR B OG1 2795 C CG2 . THR B 168 ? 1.0846 0.9269 1.0162 0.1569 0.0448 -0.2677 1047 THR B CG2 2796 N N . HIS B 169 ? 1.0011 0.6957 0.8742 0.1045 -0.0141 -0.1559 1048 HIS B N 2797 C CA . HIS B 169 ? 1.0148 0.6455 0.8791 0.1003 -0.0476 -0.1469 1048 HIS B CA 2798 C C . HIS B 169 ? 1.0974 0.7067 0.9237 0.0815 -0.0551 -0.1502 1048 HIS B C 2799 O O . HIS B 169 ? 1.1083 0.7478 0.9160 0.0618 -0.0425 -0.1328 1048 HIS B O 2800 C CB . HIS B 169 ? 0.9813 0.6048 0.8549 0.0834 -0.0583 -0.1070 1048 HIS B CB 2801 C CG . HIS B 169 ? 1.0612 0.6213 0.9202 0.0699 -0.0929 -0.0931 1048 HIS B CG 2802 N ND1 . HIS B 169 ? 1.1247 0.6327 0.9939 0.0892 -0.1204 -0.1014 1048 HIS B ND1 2803 C CD2 . HIS B 169 ? 1.0849 0.6283 0.9190 0.0359 -0.1056 -0.0704 1048 HIS B CD2 2804 C CE1 . HIS B 169 ? 1.1605 0.6113 1.0030 0.0618 -0.1496 -0.0787 1048 HIS B CE1 2805 N NE2 . HIS B 169 ? 1.1398 0.6165 0.9619 0.0268 -0.1391 -0.0609 1048 HIS B NE2 2806 N N . GLN B 170 ? 1.0860 0.6395 0.9015 0.0887 -0.0799 -0.1738 1049 GLN B N 2807 C CA . GLN B 170 ? 1.1160 0.6427 0.8958 0.0698 -0.0919 -0.1829 1049 GLN B CA 2808 C C . GLN B 170 ? 1.1796 0.6587 0.9461 0.0380 -0.1198 -0.1506 1049 GLN B C 2809 O O . GLN B 170 ? 1.2402 0.6699 1.0162 0.0386 -0.1432 -0.1381 1049 GLN B O 2810 C CB . GLN B 170 ? 1.2107 0.6998 0.9887 0.0958 -0.1055 -0.2337 1049 GLN B CB 2811 C CG . GLN B 170 ? 1.4759 0.9688 1.2176 0.0842 -0.1035 -0.2608 1049 GLN B CG 2812 C CD . GLN B 170 ? 1.7025 1.1480 1.4475 0.1122 -0.1236 -0.3159 1049 GLN B CD 2813 O OE1 . GLN B 170 ? 1.7204 1.0815 1.4576 0.1073 -0.1612 -0.3189 1049 GLN B OE1 2814 N NE2 . GLN B 170 ? 1.5804 1.0794 1.3399 0.1421 -0.1007 -0.3620 1049 GLN B NE2 2815 N N . ILE B 171 ? 1.1055 0.6044 0.8490 0.0077 -0.1189 -0.1364 1050 ILE B N 2816 C CA . ILE B 171 ? 1.1100 0.5846 0.8408 -0.0310 -0.1412 -0.1103 1050 ILE B CA 2817 C C . ILE B 171 ? 1.2697 0.7150 0.9689 -0.0495 -0.1577 -0.1320 1050 ILE B C 2818 O O . ILE B 171 ? 1.2610 0.7502 0.9467 -0.0496 -0.1443 -0.1441 1050 ILE B O 2819 C CB . ILE B 171 ? 1.0567 0.5981 0.8001 -0.0524 -0.1279 -0.0769 1050 ILE B CB 2820 C CG1 . ILE B 171 ? 1.0046 0.5741 0.7781 -0.0340 -0.1120 -0.0614 1050 ILE B CG1 2821 C CG2 . ILE B 171 ? 1.0615 0.5934 0.7939 -0.0974 -0.1485 -0.0561 1050 ILE B CG2 2822 C CD1 . ILE B 171 ? 1.0376 0.6785 0.8287 -0.0396 -0.0945 -0.0433 1050 ILE B CD1 2823 N N . GLN B 172 ? 1.3208 0.6868 1.0049 -0.0669 -0.1901 -0.1357 1051 GLN B N 2824 C CA . GLN B 172 ? 1.3877 0.7117 1.0418 -0.0878 -0.2113 -0.1592 1051 GLN B CA 2825 C C . GLN B 172 ? 1.4791 0.8075 1.1183 -0.1451 -0.2271 -0.1296 1051 GLN B C 2826 O O . GLN B 172 ? 1.4308 0.7899 1.0823 -0.1678 -0.2230 -0.0928 1051 GLN B O 2827 C CB . GLN B 172 ? 1.4927 0.7127 1.1399 -0.0689 -0.2430 -0.1889 1051 GLN B CB 2828 C CG . GLN B 172 ? 1.7381 0.9636 1.4094 -0.0106 -0.2299 -0.2263 1051 GLN B CG 2829 C CD . GLN B 172 ? 2.2379 1.3600 1.9161 0.0143 -0.2688 -0.2471 1051 GLN B CD 2830 O OE1 . GLN B 172 ? 2.2669 1.3402 1.9392 0.0367 -0.2868 -0.2975 1051 GLN B OE1 2831 N NE2 . GLN B 172 ? 2.1888 1.2740 1.8792 0.0132 -0.2859 -0.2111 1051 GLN B NE2 2832 N N . GLU B 173 ? 1.5045 0.8086 1.1173 -0.1711 -0.2449 -0.1501 1052 GLU B N 2833 C CA . GLU B 173 ? 1.5357 0.8456 1.1328 -0.2315 -0.2625 -0.1317 1052 GLU B CA 2834 C C . GLU B 173 ? 1.5075 0.9338 1.1236 -0.2521 -0.2413 -0.1092 1052 GLU B C 2835 O O . GLU B 173 ? 1.5057 0.9584 1.1240 -0.3007 -0.2489 -0.0845 1052 GLU B O 2836 C CB . GLU B 173 ? 1.6320 0.8533 1.2139 -0.2701 -0.2941 -0.1058 1052 GLU B CB 2837 C CG . GLU B 173 ? 1.9176 1.0083 1.4775 -0.2566 -0.3299 -0.1323 1052 GLU B CG 2838 C CD . GLU B 173 ? 2.2565 1.2470 1.8027 -0.2763 -0.3634 -0.1001 1052 GLU B CD 2839 O OE1 . GLU B 173 ? 2.1457 1.1657 1.6862 -0.3237 -0.3620 -0.0540 1052 GLU B OE1 2840 O OE2 . GLU B 173 ? 2.2442 1.1280 1.7846 -0.2431 -0.3934 -0.1230 1052 GLU B OE2 2841 N N . LEU B 174 ? 1.3989 0.8962 1.0274 -0.2169 -0.2173 -0.1199 1053 LEU B N 2842 C CA . LEU B 174 ? 1.3175 0.9177 0.9672 -0.2250 -0.2045 -0.1053 1053 LEU B CA 2843 C C . LEU B 174 ? 1.3821 1.0187 1.0167 -0.2511 -0.2189 -0.1223 1053 LEU B C 2844 O O . LEU B 174 ? 1.4148 1.0121 1.0202 -0.2446 -0.2279 -0.1496 1053 LEU B O 2845 C CB . LEU B 174 ? 1.2420 0.8876 0.9090 -0.1776 -0.1793 -0.1018 1053 LEU B CB 2846 C CG . LEU B 174 ? 1.2578 0.8887 0.9473 -0.1558 -0.1642 -0.0844 1053 LEU B CG 2847 C CD1 . LEU B 174 ? 1.2258 0.8572 0.9163 -0.1124 -0.1445 -0.0934 1053 LEU B CD1 2848 C CD2 . LEU B 174 ? 1.2232 0.9221 0.9446 -0.1659 -0.1561 -0.0613 1053 LEU B CD2 2849 N N . THR B 175 ? 1.3133 1.0316 0.9700 -0.2816 -0.2222 -0.1104 1054 THR B N 2850 C CA . THR B 175 ? 1.3364 1.1105 0.9891 -0.3075 -0.2378 -0.1258 1054 THR B CA 2851 C C . THR B 175 ? 1.3955 1.2023 1.0385 -0.2648 -0.2340 -0.1389 1054 THR B C 2852 O O . THR B 175 ? 1.3387 1.1730 0.9973 -0.2252 -0.2183 -0.1264 1054 THR B O 2853 C CB . THR B 175 ? 1.3663 1.2417 1.0572 -0.3424 -0.2392 -0.1143 1054 THR B CB 2854 O OG1 . THR B 175 ? 1.4203 1.2696 1.1135 -0.3818 -0.2374 -0.0949 1054 THR B OG1 2855 C CG2 . THR B 175 ? 1.3207 1.2531 1.0104 -0.3805 -0.2598 -0.1331 1054 THR B CG2 2856 N N . LEU B 176 ? 1.4103 1.2084 1.0220 -0.2769 -0.2506 -0.1630 1055 LEU B N 2857 C CA . LEU B 176 ? 1.4109 1.2356 0.9990 -0.2461 -0.2515 -0.1739 1055 LEU B CA 2858 C C . LEU B 176 ? 1.4239 1.3463 1.0388 -0.2391 -0.2618 -0.1628 1055 LEU B C 2859 O O . LEU B 176 ? 1.4182 1.3994 1.0710 -0.2659 -0.2702 -0.1594 1055 LEU B O 2860 C CB . LEU B 176 ? 1.4875 1.2718 1.0300 -0.2632 -0.2673 -0.2075 1055 LEU B CB 2861 C CG . LEU B 176 ? 1.5908 1.2778 1.1085 -0.2539 -0.2601 -0.2283 1055 LEU B CG 2862 C CD1 . LEU B 176 ? 1.6762 1.3285 1.1525 -0.2700 -0.2781 -0.2695 1055 LEU B CD1 2863 C CD2 . LEU B 176 ? 1.5826 1.2613 1.0955 -0.2067 -0.2336 -0.2232 1055 LEU B CD2 2864 N N . ASP B 177 ? 1.3433 1.2852 0.9394 -0.2031 -0.2623 -0.1570 1056 ASP B N 2865 C CA . ASP B 177 ? 1.3039 1.3247 0.9216 -0.1851 -0.2808 -0.1459 1056 ASP B CA 2866 C C . ASP B 177 ? 1.2827 1.3601 0.9667 -0.1781 -0.2767 -0.1326 1056 ASP B C 2867 O O . ASP B 177 ? 1.2613 1.4226 0.9844 -0.1794 -0.2966 -0.1382 1056 ASP B O 2868 C CB . ASP B 177 ? 1.3628 1.4321 0.9662 -0.2085 -0.3114 -0.1661 1056 ASP B CB 2869 C CG . ASP B 177 ? 1.5057 1.6357 1.1093 -0.1802 -0.3385 -0.1569 1056 ASP B CG 2870 O OD1 . ASP B 177 ? 1.5102 1.6298 1.1150 -0.1423 -0.3347 -0.1329 1056 ASP B OD1 2871 O OD2 . ASP B 177 ? 1.5735 1.7574 1.1747 -0.1966 -0.3673 -0.1732 1056 ASP B OD2 2872 N N . THR B 178 ? 1.1990 1.2369 0.8972 -0.1698 -0.2513 -0.1196 1057 THR B N 2873 C CA . THR B 178 ? 1.1306 1.2183 0.8854 -0.1657 -0.2431 -0.1111 1057 THR B CA 2874 C C . THR B 178 ? 1.1311 1.1961 0.8939 -0.1222 -0.2293 -0.0929 1057 THR B C 2875 O O . THR B 178 ? 1.1352 1.1292 0.8681 -0.1136 -0.2104 -0.0846 1057 THR B O 2876 C CB . THR B 178 ? 1.1749 1.2400 0.9374 -0.2076 -0.2292 -0.1115 1057 THR B CB 2877 O OG1 . THR B 178 ? 1.3315 1.4007 1.0768 -0.2539 -0.2453 -0.1272 1057 THR B OG1 2878 C CG2 . THR B 178 ? 0.9971 1.1321 0.8131 -0.2145 -0.2202 -0.1067 1057 THR B CG2 2879 N N . PRO B 179 ? 1.0617 1.1874 0.8686 -0.0944 -0.2398 -0.0901 1058 PRO B N 2880 C CA . PRO B 179 ? 1.0336 1.1308 0.8516 -0.0576 -0.2280 -0.0736 1058 PRO B CA 2881 C C . PRO B 179 ? 1.0430 1.1353 0.8884 -0.0699 -0.2010 -0.0720 1058 PRO B C 2882 O O . PRO B 179 ? 1.0003 1.1558 0.8836 -0.0922 -0.1999 -0.0838 1058 PRO B O 2883 C CB . PRO B 179 ? 1.0430 1.2066 0.9053 -0.0245 -0.2553 -0.0789 1058 PRO B CB 2884 C CG . PRO B 179 ? 1.1099 1.3453 0.9844 -0.0426 -0.2810 -0.0989 1058 PRO B CG 2885 C CD . PRO B 179 ? 1.0621 1.2887 0.9182 -0.0945 -0.2635 -0.1071 1058 PRO B CD 2886 N N . TYR B 180 ? 1.0195 1.0420 0.8418 -0.0607 -0.1796 -0.0584 1059 TYR B N 2887 C CA . TYR B 180 ? 0.9931 1.0027 0.8353 -0.0678 -0.1573 -0.0538 1059 TYR B CA 2888 C C . TYR B 180 ? 1.0226 1.0271 0.8868 -0.0334 -0.1485 -0.0446 1059 TYR B C 2889 O O . TYR B 180 ? 1.0566 1.0397 0.9062 -0.0078 -0.1571 -0.0363 1059 TYR B O 2890 C CB . TYR B 180 ? 1.0340 0.9701 0.8391 -0.0847 -0.1438 -0.0507 1059 TYR B CB 2891 C CG . TYR B 180 ? 1.0920 1.0230 0.8846 -0.1263 -0.1527 -0.0589 1059 TYR B CG 2892 C CD1 . TYR B 180 ? 1.0950 1.0423 0.9057 -0.1569 -0.1492 -0.0539 1059 TYR B CD1 2893 C CD2 . TYR B 180 ? 1.1531 1.0573 0.9096 -0.1396 -0.1657 -0.0708 1059 TYR B CD2 2894 C CE1 . TYR B 180 ? 1.1215 1.0513 0.9132 -0.2032 -0.1607 -0.0562 1059 TYR B CE1 2895 C CE2 . TYR B 180 ? 1.2059 1.0919 0.9483 -0.1814 -0.1770 -0.0787 1059 TYR B CE2 2896 C CZ . TYR B 180 ? 1.2693 1.1644 1.0286 -0.2148 -0.1755 -0.0691 1059 TYR B CZ 2897 O OH . TYR B 180 ? 1.3716 1.2378 1.1103 -0.2632 -0.1902 -0.0719 1059 TYR B OH 2898 N N . TYR B 181 ? 0.9110 0.9333 0.8063 -0.0367 -0.1337 -0.0449 1060 TYR B N 2899 C CA . TYR B 181 ? 0.8530 0.8735 0.7738 -0.0086 -0.1251 -0.0410 1060 TYR B CA 2900 C C . TYR B 181 ? 0.8608 0.8418 0.7734 -0.0187 -0.1029 -0.0326 1060 TYR B C 2901 O O . TYR B 181 ? 0.8317 0.8211 0.7429 -0.0475 -0.0984 -0.0330 1060 TYR B O 2902 C CB . TYR B 181 ? 0.8457 0.9508 0.8218 0.0004 -0.1333 -0.0593 1060 TYR B CB 2903 C CG . TYR B 181 ? 0.9041 1.0546 0.8978 0.0187 -0.1616 -0.0721 1060 TYR B CG 2904 C CD1 . TYR B 181 ? 0.9477 1.0751 0.9479 0.0592 -0.1815 -0.0687 1060 TYR B CD1 2905 C CD2 . TYR B 181 ? 0.9299 1.1397 0.9297 -0.0063 -0.1729 -0.0856 1060 TYR B CD2 2906 C CE1 . TYR B 181 ? 1.0149 1.1770 1.0294 0.0806 -0.2155 -0.0786 1060 TYR B CE1 2907 C CE2 . TYR B 181 ? 0.9655 1.2217 0.9835 0.0132 -0.2029 -0.0990 1060 TYR B CE2 2908 C CZ . TYR B 181 ? 1.1319 1.3636 1.1579 0.0597 -0.2259 -0.0954 1060 TYR B CZ 2909 O OH . TYR B 181 ? 1.2069 1.4807 1.2516 0.0837 -0.2628 -0.1077 1060 TYR B OH 2910 N N . PHE B 182 ? 0.8154 0.7516 0.7201 0.0022 -0.0918 -0.0233 1061 PHE B N 2911 C CA . PHE B 182 ? 0.7715 0.6743 0.6730 -0.0014 -0.0732 -0.0179 1061 PHE B CA 2912 C C . PHE B 182 ? 0.8209 0.7302 0.7497 0.0175 -0.0643 -0.0166 1061 PHE B C 2913 O O . PHE B 182 ? 0.8630 0.7638 0.7950 0.0367 -0.0696 -0.0138 1061 PHE B O 2914 C CB . PHE B 182 ? 0.8090 0.6557 0.6729 0.0005 -0.0656 -0.0147 1061 PHE B CB 2915 C CG . PHE B 182 ? 0.8393 0.6693 0.6723 -0.0162 -0.0755 -0.0213 1061 PHE B CG 2916 C CD1 . PHE B 182 ? 0.8938 0.7323 0.7055 -0.0156 -0.0881 -0.0233 1061 PHE B CD1 2917 C CD2 . PHE B 182 ? 0.8531 0.6522 0.6757 -0.0320 -0.0762 -0.0259 1061 PHE B CD2 2918 C CE1 . PHE B 182 ? 0.9324 0.7577 0.7153 -0.0330 -0.0982 -0.0335 1061 PHE B CE1 2919 C CE2 . PHE B 182 ? 0.9262 0.7021 0.7204 -0.0486 -0.0886 -0.0357 1061 PHE B CE2 2920 C CZ . PHE B 182 ? 0.9156 0.7083 0.6909 -0.0498 -0.0976 -0.0412 1061 PHE B CZ 2921 N N . LYS B 183 ? 0.7789 0.6959 0.7228 0.0102 -0.0536 -0.0170 1062 LYS B N 2922 C CA . LYS B 183 ? 0.7556 0.6778 0.7248 0.0250 -0.0438 -0.0186 1062 LYS B CA 2923 C C . LYS B 183 ? 0.8089 0.7111 0.7740 0.0173 -0.0324 -0.0136 1062 LYS B C 2924 O O . LYS B 183 ? 0.8323 0.7238 0.7809 -0.0010 -0.0366 -0.0090 1062 LYS B O 2925 C CB . LYS B 183 ? 0.7484 0.7297 0.7573 0.0335 -0.0499 -0.0338 1062 LYS B CB 2926 C CG . LYS B 183 ? 0.7179 0.7621 0.7397 0.0105 -0.0514 -0.0433 1062 LYS B CG 2927 C CD . LYS B 183 ? 0.6217 0.7347 0.6865 0.0263 -0.0588 -0.0682 1062 LYS B CD 2928 C CE . LYS B 183 ? 0.5693 0.7683 0.6513 -0.0012 -0.0547 -0.0833 1062 LYS B CE 2929 N NZ . LYS B 183 ? 0.7803 1.0603 0.9137 0.0209 -0.0609 -0.1189 1062 LYS B NZ 2930 N N . ILE B 184 ? 0.7301 0.6200 0.7074 0.0307 -0.0217 -0.0138 1063 ILE B N 2931 C CA . ILE B 184 ? 0.7053 0.5814 0.6844 0.0292 -0.0138 -0.0117 1063 ILE B CA 2932 C C . ILE B 184 ? 0.7622 0.6653 0.7708 0.0348 -0.0077 -0.0173 1063 ILE B C 2933 O O . ILE B 184 ? 0.7692 0.6826 0.7949 0.0448 -0.0067 -0.0239 1063 ILE B O 2934 C CB . ILE B 184 ? 0.7444 0.5822 0.7058 0.0374 -0.0057 -0.0122 1063 ILE B CB 2935 C CG1 . ILE B 184 ? 0.7381 0.5655 0.7073 0.0425 -0.0026 -0.0160 1063 ILE B CG1 2936 C CG2 . ILE B 184 ? 0.7921 0.6216 0.7467 0.0436 0.0023 -0.0109 1063 ILE B CG2 2937 C CD1 . ILE B 184 ? 0.9559 0.7630 0.9138 0.0511 0.0038 -0.0253 1063 ILE B CD1 2938 N N . GLN B 185 ? 0.7198 0.6298 0.7322 0.0284 -0.0079 -0.0152 1064 GLN B N 2939 C CA . GLN B 185 ? 0.6941 0.6301 0.7309 0.0320 -0.0027 -0.0219 1064 GLN B CA 2940 C C . GLN B 185 ? 0.7482 0.6644 0.7847 0.0372 -0.0020 -0.0186 1064 GLN B C 2941 O O . GLN B 185 ? 0.7573 0.6443 0.7750 0.0358 -0.0114 -0.0112 1064 GLN B O 2942 C CB . GLN B 185 ? 0.6988 0.6869 0.7445 0.0178 -0.0070 -0.0271 1064 GLN B CB 2943 C CG . GLN B 185 ? 0.8278 0.8176 0.8467 -0.0067 -0.0179 -0.0117 1064 GLN B CG 2944 C CD . GLN B 185 ? 0.8731 0.9283 0.8945 -0.0294 -0.0184 -0.0171 1064 GLN B CD 2945 O OE1 . GLN B 185 ? 0.7677 0.8309 0.7612 -0.0599 -0.0274 -0.0018 1064 GLN B OE1 2946 N NE2 . GLN B 185 ? 0.6764 0.7798 0.7285 -0.0188 -0.0097 -0.0398 1064 GLN B NE2 2947 N N . ALA B 186 ? 0.7001 0.6310 0.7606 0.0450 0.0065 -0.0275 1065 ALA B N 2948 C CA . ALA B 186 ? 0.6790 0.6071 0.7503 0.0533 0.0067 -0.0304 1065 ALA B CA 2949 C C . ALA B 186 ? 0.6789 0.6295 0.7530 0.0470 -0.0061 -0.0264 1065 ALA B C 2950 O O . ALA B 186 ? 0.6572 0.6388 0.7321 0.0348 -0.0067 -0.0278 1065 ALA B O 2951 C CB . ALA B 186 ? 0.6799 0.6198 0.7751 0.0576 0.0227 -0.0423 1065 ALA B CB 2952 N N . ARG B 187 ? 0.6557 0.5952 0.7315 0.0562 -0.0184 -0.0239 1066 ARG B N 2953 C CA . ARG B 187 ? 0.6784 0.6346 0.7516 0.0505 -0.0363 -0.0161 1066 ARG B CA 2954 C C . ARG B 187 ? 0.7710 0.7471 0.8764 0.0685 -0.0375 -0.0299 1066 ARG B C 2955 O O . ARG B 187 ? 0.8164 0.7818 0.9390 0.0876 -0.0335 -0.0420 1066 ARG B O 2956 C CB . ARG B 187 ? 0.7427 0.6544 0.7818 0.0450 -0.0634 0.0050 1066 ARG B CB 2957 C CG . ARG B 187 ? 1.0123 0.9343 1.0301 0.0276 -0.0871 0.0239 1066 ARG B CG 2958 C CD . ARG B 187 ? 1.0859 0.9449 1.0760 0.0317 -0.1241 0.0449 1066 ARG B CD 2959 N NE . ARG B 187 ? 1.3283 1.1324 1.2940 0.0257 -0.1296 0.0526 1066 ARG B NE 2960 C CZ . ARG B 187 ? 1.4936 1.2767 1.4158 -0.0109 -0.1420 0.0775 1066 ARG B CZ 2961 N NH1 . ARG B 187 ? 1.0851 0.9043 0.9815 -0.0457 -0.1475 0.0968 1066 ARG B NH1 2962 N NH2 . ARG B 187 ? 1.2990 1.0313 1.2014 -0.0172 -0.1482 0.0813 1066 ARG B NH2 2963 N N . ASN B 188 ? 0.6891 0.7030 0.8035 0.0614 -0.0434 -0.0316 1067 ASN B N 2964 C CA . ASN B 188 ? 0.6782 0.7178 0.8226 0.0764 -0.0512 -0.0437 1067 ASN B CA 2965 C C . ASN B 188 ? 0.7660 0.8159 0.8902 0.0688 -0.0806 -0.0276 1067 ASN B C 2966 O O . ASN B 188 ? 0.7890 0.8261 0.8731 0.0470 -0.0908 -0.0064 1067 ASN B O 2967 C CB . ASN B 188 ? 0.6521 0.7322 0.8348 0.0750 -0.0265 -0.0680 1067 ASN B CB 2968 C CG . ASN B 188 ? 0.7070 0.8219 0.8942 0.0572 -0.0195 -0.0764 1067 ASN B CG 2969 O OD1 . ASN B 188 ? 0.7547 0.8878 0.9220 0.0457 -0.0325 -0.0690 1067 ASN B OD1 2970 N ND2 . ASN B 188 ? 0.4455 0.5712 0.6579 0.0523 0.0002 -0.0942 1067 ASN B ND2 2971 N N . SER B 189 ? 0.7372 0.8142 0.8863 0.0831 -0.0958 -0.0366 1068 SER B N 2972 C CA . SER B 189 ? 0.7623 0.8500 0.8892 0.0763 -0.1288 -0.0194 1068 SER B CA 2973 C C . SER B 189 ? 0.7778 0.9029 0.8748 0.0413 -0.1212 -0.0127 1068 SER B C 2974 O O . SER B 189 ? 0.8536 0.9836 0.9127 0.0244 -0.1479 0.0095 1068 SER B O 2975 C CB . SER B 189 ? 0.8084 0.9382 0.9782 0.0978 -0.1408 -0.0391 1068 SER B CB 2976 O OG . SER B 189 ? 0.8738 1.0643 1.0702 0.0835 -0.1165 -0.0625 1068 SER B OG 2977 N N . LYS B 190 ? 0.6455 0.7986 0.7583 0.0307 -0.0880 -0.0333 1069 LYS B N 2978 C CA . LYS B 190 ? 0.6266 0.8286 0.7232 0.0040 -0.0784 -0.0411 1069 LYS B CA 2979 C C . LYS B 190 ? 0.7082 0.9038 0.7752 -0.0159 -0.0674 -0.0321 1069 LYS B C 2980 O O . LYS B 190 ? 0.7121 0.9596 0.7623 -0.0398 -0.0618 -0.0399 1069 LYS B O 2981 C CB . LYS B 190 ? 0.5856 0.8295 0.7255 0.0079 -0.0563 -0.0785 1069 LYS B CB 2982 C CG . LYS B 190 ? 0.6838 0.9503 0.8557 0.0199 -0.0653 -0.0915 1069 LYS B CG 2983 C CD . LYS B 190 ? 0.6767 0.9960 0.8325 0.0053 -0.0844 -0.0936 1069 LYS B CD 2984 C CE . LYS B 190 ? 0.7904 1.1348 0.9804 0.0194 -0.0986 -0.1054 1069 LYS B CE 2985 N NZ . LYS B 190 ? 0.9128 1.3215 1.1076 0.0034 -0.1020 -0.1290 1069 LYS B NZ 2986 N N . GLY B 191 ? 0.6715 0.8152 0.7353 -0.0066 -0.0635 -0.0211 1070 GLY B N 2987 C CA . GLY B 191 ? 0.6816 0.8229 0.7207 -0.0256 -0.0560 -0.0131 1070 GLY B CA 2988 C C . GLY B 191 ? 0.7501 0.8590 0.8076 -0.0098 -0.0392 -0.0218 1070 GLY B C 2989 O O . GLY B 191 ? 0.7283 0.8034 0.8077 0.0133 -0.0346 -0.0269 1070 GLY B O 2990 N N . MET B 192 ? 0.7420 0.8692 0.7885 -0.0250 -0.0307 -0.0242 1071 MET B N 2991 C CA . MET B 192 ? 0.7337 0.8353 0.7905 -0.0136 -0.0197 -0.0300 1071 MET B CA 2992 C C . MET B 192 ? 0.7013 0.8237 0.7957 0.0037 -0.0044 -0.0593 1071 MET B C 2993 O O . MET B 192 ? 0.7153 0.8905 0.8254 -0.0004 -0.0004 -0.0817 1071 MET B O 2994 C CB . MET B 192 ? 0.7945 0.9157 0.8270 -0.0381 -0.0214 -0.0221 1071 MET B CB 2995 C CG . MET B 192 ? 0.9261 1.0161 0.9134 -0.0647 -0.0405 0.0106 1071 MET B CG 2996 S SD . MET B 192 ? 1.0579 1.0549 1.0369 -0.0405 -0.0579 0.0289 1071 MET B SD 2997 C CE . MET B 192 ? 1.0069 0.9717 0.9943 -0.0260 -0.0464 0.0201 1071 MET B CE 2998 N N . GLY B 193 ? 0.5839 0.6629 0.6890 0.0210 0.0015 -0.0597 1072 GLY B N 2999 C CA . GLY B 193 ? 0.5695 0.6462 0.7017 0.0349 0.0091 -0.0801 1072 GLY B CA 3000 C C . GLY B 193 ? 0.6716 0.7528 0.8031 0.0387 0.0067 -0.0856 1072 GLY B C 3001 O O . GLY B 193 ? 0.6839 0.7825 0.7962 0.0258 0.0029 -0.0761 1072 GLY B O 3002 N N . PRO B 194 ? 0.6294 0.6933 0.7813 0.0552 0.0051 -0.1005 1073 PRO B N 3003 C CA . PRO B 194 ? 0.6338 0.7033 0.7889 0.0648 -0.0032 -0.1072 1073 PRO B CA 3004 C C . PRO B 194 ? 0.7126 0.7402 0.8379 0.0615 -0.0048 -0.0812 1073 PRO B C 3005 O O . PRO B 194 ? 0.7768 0.7658 0.8823 0.0561 0.0016 -0.0624 1073 PRO B O 3006 C CB . PRO B 194 ? 0.6666 0.7112 0.8482 0.0859 -0.0123 -0.1268 1073 PRO B CB 3007 C CG . PRO B 194 ? 0.7314 0.7348 0.9105 0.0804 -0.0055 -0.1177 1073 PRO B CG 3008 C CD . PRO B 194 ? 0.6497 0.6826 0.8203 0.0640 0.0063 -0.1099 1073 PRO B CD 3009 N N . MET B 195 ? 0.6339 0.6777 0.7590 0.0655 -0.0138 -0.0853 1074 MET B N 3010 C CA . MET B 195 ? 0.6358 0.6477 0.7327 0.0617 -0.0181 -0.0660 1074 MET B CA 3011 C C . MET B 195 ? 0.7131 0.6775 0.8063 0.0791 -0.0280 -0.0612 1074 MET B C 3012 O O . MET B 195 ? 0.7038 0.6666 0.8220 0.0980 -0.0403 -0.0770 1074 MET B O 3013 C CB . MET B 195 ? 0.6589 0.7211 0.7570 0.0524 -0.0254 -0.0732 1074 MET B CB 3014 C CG . MET B 195 ? 0.7038 0.8235 0.8029 0.0284 -0.0192 -0.0783 1074 MET B CG 3015 S SD . MET B 195 ? 0.7943 0.8908 0.8508 -0.0025 -0.0217 -0.0516 1074 MET B SD 3016 C CE . MET B 195 ? 0.7481 0.9364 0.8068 -0.0398 -0.0192 -0.0607 1074 MET B CE 3017 N N . SER B 196 ? 0.6567 0.5806 0.7150 0.0724 -0.0266 -0.0405 1075 SER B N 3018 C CA . SER B 196 ? 0.6805 0.5590 0.7200 0.0809 -0.0373 -0.0290 1075 SER B CA 3019 C C . SER B 196 ? 0.7346 0.6375 0.7857 0.0950 -0.0600 -0.0389 1075 SER B C 3020 O O . SER B 196 ? 0.7055 0.6671 0.7752 0.0910 -0.0606 -0.0541 1075 SER B O 3021 C CB . SER B 196 ? 0.7452 0.5926 0.7438 0.0671 -0.0270 -0.0112 1075 SER B CB 3022 O OG . SER B 196 ? 0.8909 0.7538 0.8743 0.0608 -0.0324 -0.0111 1075 SER B OG 3023 N N . GLU B 197 ? 0.7179 0.5806 0.7588 0.1097 -0.0810 -0.0308 1076 GLU B N 3024 C CA . GLU B 197 ? 0.7320 0.6214 0.7854 0.1268 -0.1068 -0.0411 1076 GLU B CA 3025 C C . GLU B 197 ? 0.8125 0.7071 0.8291 0.1077 -0.1017 -0.0274 1076 GLU B C 3026 O O . GLU B 197 ? 0.8473 0.7019 0.8231 0.0905 -0.0869 -0.0079 1076 GLU B O 3027 C CB . GLU B 197 ? 0.8083 0.6446 0.8587 0.1508 -0.1394 -0.0341 1076 GLU B CB 3028 C CG . GLU B 197 ? 1.0443 0.8783 1.1405 0.1748 -0.1519 -0.0583 1076 GLU B CG 3029 C CD . GLU B 197 ? 1.2863 1.1920 1.4425 0.2065 -0.1717 -0.1012 1076 GLU B CD 3030 O OE1 . GLU B 197 ? 1.0530 1.0233 1.2195 0.2067 -0.1748 -0.1124 1076 GLU B OE1 3031 O OE2 . GLU B 197 ? 1.1381 1.0400 1.3331 0.2303 -0.1846 -0.1277 1076 GLU B OE2 3032 N N . ALA B 198 ? 0.7437 0.6967 0.7785 0.1078 -0.1113 -0.0431 1077 ALA B N 3033 C CA . ALA B 198 ? 0.7253 0.6846 0.7288 0.0878 -0.1103 -0.0348 1077 ALA B CA 3034 C C . ALA B 198 ? 0.8455 0.7504 0.8042 0.0915 -0.1248 -0.0142 1077 ALA B C 3035 O O . ALA B 198 ? 0.8706 0.7549 0.8308 0.1136 -0.1510 -0.0095 1077 ALA B O 3036 C CB . ALA B 198 ? 0.7048 0.7426 0.7393 0.0852 -0.1225 -0.0569 1077 ALA B CB 3037 N N . VAL B 199 ? 0.8202 0.6978 0.7359 0.0699 -0.1094 -0.0023 1078 VAL B N 3038 C CA . VAL B 199 ? 0.8525 0.6908 0.7163 0.0649 -0.1174 0.0142 1078 VAL B CA 3039 C C . VAL B 199 ? 0.9346 0.8049 0.7884 0.0546 -0.1299 0.0047 1078 VAL B C 3040 O O . VAL B 199 ? 0.9255 0.8191 0.7886 0.0372 -0.1181 -0.0073 1078 VAL B O 3041 C CB . VAL B 199 ? 0.8916 0.6927 0.7210 0.0489 -0.0897 0.0229 1078 VAL B CB 3042 C CG1 . VAL B 199 ? 0.9301 0.7120 0.7029 0.0355 -0.0910 0.0297 1078 VAL B CG1 3043 C CG2 . VAL B 199 ? 0.8860 0.6575 0.7203 0.0539 -0.0815 0.0347 1078 VAL B CG2 3044 N N . GLN B 200 ? 0.9319 0.8017 0.7668 0.0637 -0.1582 0.0110 1079 GLN B N 3045 C CA . GLN B 200 ? 0.9341 0.8374 0.7584 0.0525 -0.1729 0.0008 1079 GLN B CA 3046 C C . GLN B 200 ? 1.0340 0.9018 0.7950 0.0329 -0.1657 0.0085 1079 GLN B C 3047 O O . GLN B 200 ? 1.0775 0.9041 0.7946 0.0336 -0.1651 0.0270 1079 GLN B O 3048 C CB . GLN B 200 ? 0.9729 0.9096 0.8178 0.0755 -0.2122 -0.0029 1079 GLN B CB 3049 C CG . GLN B 200 ? 1.2245 1.2193 1.0755 0.0612 -0.2267 -0.0207 1079 GLN B CG 3050 C CD . GLN B 200 ? 1.5634 1.6031 1.4388 0.0865 -0.2694 -0.0290 1079 GLN B CD 3051 O OE1 . GLN B 200 ? 1.5619 1.6563 1.4444 0.0740 -0.2836 -0.0448 1079 GLN B OE1 3052 N NE2 . GLN B 200 ? 1.4274 1.4450 1.3195 0.1231 -0.2945 -0.0208 1079 GLN B NE2 3053 N N . PHE B 201 ? 0.9831 0.8685 0.7375 0.0118 -0.1605 -0.0078 1080 PHE B N 3054 C CA . PHE B 201 ? 0.9987 0.8596 0.6987 -0.0055 -0.1564 -0.0121 1080 PHE B CA 3055 C C . PHE B 201 ? 1.0564 0.9505 0.7570 -0.0232 -0.1740 -0.0297 1080 PHE B C 3056 O O . PHE B 201 ? 1.0405 0.9564 0.7743 -0.0379 -0.1700 -0.0419 1080 PHE B O 3057 C CB . PHE B 201 ? 0.9967 0.8218 0.6839 -0.0141 -0.1253 -0.0199 1080 PHE B CB 3058 C CG . PHE B 201 ? 1.0490 0.8546 0.6826 -0.0264 -0.1200 -0.0327 1080 PHE B CG 3059 C CD1 . PHE B 201 ? 1.1237 0.9171 0.7110 -0.0259 -0.1126 -0.0225 1080 PHE B CD1 3060 C CD2 . PHE B 201 ? 1.0876 0.8881 0.7137 -0.0421 -0.1236 -0.0566 1080 PHE B CD2 3061 C CE1 . PHE B 201 ? 1.1903 0.9799 0.7268 -0.0387 -0.1055 -0.0407 1080 PHE B CE1 3062 C CE2 . PHE B 201 ? 1.1778 0.9638 0.7562 -0.0507 -0.1202 -0.0767 1080 PHE B CE2 3063 C CZ . PHE B 201 ? 1.1893 0.9761 0.7244 -0.0478 -0.1092 -0.0710 1080 PHE B CZ 3064 N N . ARG B 202 ? 1.0211 0.9193 0.6805 -0.0270 -0.1939 -0.0299 1081 ARG B N 3065 C CA . ARG B 202 ? 1.0388 0.9682 0.6947 -0.0477 -0.2111 -0.0492 1081 ARG B CA 3066 C C . ARG B 202 ? 1.1363 1.0270 0.7430 -0.0679 -0.1983 -0.0660 1081 ARG B C 3067 O O . ARG B 202 ? 1.1884 1.0592 0.7434 -0.0652 -0.1957 -0.0631 1081 ARG B O 3068 C CB . ARG B 202 ? 1.1046 1.0736 0.7525 -0.0375 -0.2481 -0.0443 1081 ARG B CB 3069 C CG . ARG B 202 ? 1.1591 1.1771 0.8169 -0.0612 -0.2673 -0.0674 1081 ARG B CG 3070 C CD . ARG B 202 ? 1.1351 1.1859 0.7695 -0.0530 -0.3053 -0.0654 1081 ARG B CD 3071 N NE . ARG B 202 ? 1.1306 1.2507 0.7983 -0.0734 -0.3252 -0.0898 1081 ARG B NE 3072 C CZ . ARG B 202 ? 1.2762 1.4735 1.0071 -0.0605 -0.3464 -0.0982 1081 ARG B CZ 3073 N NH1 . ARG B 202 ? 1.1166 1.3234 0.8835 -0.0211 -0.3553 -0.0857 1081 ARG B NH1 3074 N NH2 . ARG B 202 ? 1.1501 1.4194 0.9107 -0.0875 -0.3599 -0.1231 1081 ARG B NH2 3075 N N . THR B 203 ? 1.0902 0.9703 0.7109 -0.0900 -0.1924 -0.0851 1082 THR B N 3076 C CA . THR B 203 ? 1.1321 0.9690 0.7147 -0.1059 -0.1862 -0.1097 1082 THR B CA 3077 C C . THR B 203 ? 1.2158 1.0712 0.7536 -0.1172 -0.2067 -0.1239 1082 THR B C 3078 O O . THR B 203 ? 1.2111 1.1148 0.7620 -0.1245 -0.2313 -0.1200 1082 THR B O 3079 C CB . THR B 203 ? 1.2926 1.1061 0.8984 -0.1314 -0.1885 -0.1226 1082 THR B CB 3080 O OG1 . THR B 203 ? 1.3376 1.2051 0.9719 -0.1536 -0.2077 -0.1193 1082 THR B OG1 3081 C CG2 . THR B 203 ? 1.2610 1.0425 0.8955 -0.1224 -0.1696 -0.1118 1082 THR B CG2 3082 N N . PRO B 204 ? 1.2031 1.0302 0.6900 -0.1183 -0.1977 -0.1446 1083 PRO B N 3083 C CA . PRO B 204 ? 1.2623 1.1105 0.7006 -0.1325 -0.2178 -0.1615 1083 PRO B CA 3084 C C . PRO B 204 ? 1.5850 1.4442 1.0355 -0.1610 -0.2420 -0.1832 1083 PRO B C 3085 O O . PRO B 204 ? 1.2334 1.0726 0.7221 -0.1753 -0.2409 -0.1871 1083 PRO B O 3086 C CB . PRO B 204 ? 1.3312 1.1492 0.7217 -0.1302 -0.1970 -0.1903 1083 PRO B CB 3087 C CG . PRO B 204 ? 1.3519 1.1271 0.7771 -0.1176 -0.1730 -0.1981 1083 PRO B CG 3088 C CD . PRO B 204 ? 1.2323 1.0176 0.7066 -0.1066 -0.1696 -0.1596 1083 PRO B CD 3089 N N . THR C 4 ? 1.8737 1.6524 1.7127 -0.7987 0.0665 -0.0688 883 THR C N 3090 C CA . THR C 4 ? 1.9319 1.6116 1.7410 -0.7869 0.1226 -0.1126 883 THR C CA 3091 C C . THR C 4 ? 1.9437 1.6270 1.7265 -0.7568 0.1357 -0.1344 883 THR C C 3092 O O . THR C 4 ? 1.8530 1.6200 1.6493 -0.7391 0.1017 -0.1146 883 THR C O 3093 C CB . THR C 4 ? 2.0802 1.7487 1.9721 -0.7464 0.1593 -0.0965 883 THR C CB 3094 O OG1 . THR C 4 ? 2.0066 1.7714 1.9735 -0.6869 0.1489 -0.0612 883 THR C OG1 3095 C CG2 . THR C 4 ? 2.1241 1.7769 2.0352 -0.7818 0.1489 -0.0789 883 THR C CG2 3096 N N . PRO C 5 ? 1.9625 1.5541 1.7120 -0.7507 0.1891 -0.1721 884 PRO C N 3097 C CA . PRO C 5 ? 1.9221 1.5231 1.6485 -0.7257 0.1970 -0.1879 884 PRO C CA 3098 C C . PRO C 5 ? 1.8563 1.5276 1.6694 -0.6558 0.2029 -0.1596 884 PRO C C 3099 O O . PRO C 5 ? 1.8533 1.5134 1.7347 -0.6246 0.2353 -0.1418 884 PRO C O 3100 C CB . PRO C 5 ? 2.0704 1.5381 1.7246 -0.7527 0.2580 -0.2359 884 PRO C CB 3101 C CG . PRO C 5 ? 2.1988 1.5931 1.8869 -0.7573 0.3030 -0.2368 884 PRO C CG 3102 C CD . PRO C 5 ? 2.0923 1.5620 1.8269 -0.7668 0.2518 -0.1998 884 PRO C CD 3103 N N . MET C 6 ? 1.7116 1.4557 1.5222 -0.6371 0.1707 -0.1505 885 MET C N 3104 C CA . MET C 6 ? 1.6090 1.4134 1.4764 -0.5854 0.1707 -0.1272 885 MET C CA 3105 C C . MET C 6 ? 1.6727 1.4289 1.5416 -0.5645 0.2102 -0.1416 885 MET C C 3106 O O . MET C 6 ? 1.7372 1.4257 1.5452 -0.5870 0.2320 -0.1764 885 MET C O 3107 C CB . MET C 6 ? 1.5733 1.4543 1.4317 -0.5769 0.1327 -0.1165 885 MET C CB 3108 C CG . MET C 6 ? 1.5938 1.5341 1.4813 -0.5813 0.1062 -0.0873 885 MET C CG 3109 S SD . MET C 6 ? 1.5913 1.6086 1.4886 -0.5588 0.0868 -0.0690 885 MET C SD 3110 C CE . MET C 6 ? 1.5117 1.5445 1.4282 -0.5206 0.1036 -0.0606 885 MET C CE 3111 N N . MET C 7 ? 1.5687 1.3605 1.5071 -0.5262 0.2199 -0.1091 886 MET C N 3112 C CA . MET C 7 ? 1.5674 1.3319 1.5342 -0.5014 0.2552 -0.1044 886 MET C CA 3113 C C . MET C 7 ? 1.5468 1.3410 1.4712 -0.4944 0.2335 -0.1187 886 MET C C 3114 O O . MET C 7 ? 1.4642 1.3284 1.3867 -0.4874 0.1943 -0.1048 886 MET C O 3115 C CB . MET C 7 ? 1.5617 1.3716 1.6269 -0.4724 0.2613 -0.0479 886 MET C CB 3116 C CG . MET C 7 ? 1.6686 1.4230 1.8037 -0.4677 0.3121 -0.0283 886 MET C CG 3117 S SD . MET C 7 ? 1.8433 1.4596 1.9598 -0.4712 0.3975 -0.0681 886 MET C SD 3118 C CE . MET C 7 ? 1.7682 1.4116 1.9367 -0.4328 0.4155 -0.0378 886 MET C CE 3119 N N . PRO C 8 ? 1.5520 1.2876 1.4393 -0.4975 0.2641 -0.1471 887 PRO C N 3120 C CA . PRO C 8 ? 1.5118 1.2798 1.3658 -0.4900 0.2424 -0.1569 887 PRO C CA 3121 C C . PRO C 8 ? 1.4817 1.3070 1.3972 -0.4564 0.2324 -0.1180 887 PRO C C 3122 O O . PRO C 8 ? 1.4888 1.3121 1.4783 -0.4383 0.2568 -0.0813 887 PRO C O 3123 C CB . PRO C 8 ? 1.6122 1.2952 1.4123 -0.5047 0.2854 -0.1932 887 PRO C CB 3124 C CG . PRO C 8 ? 1.7369 1.3423 1.5733 -0.5009 0.3464 -0.1905 887 PRO C CG 3125 C CD . PRO C 8 ? 1.6659 1.2956 1.5357 -0.5090 0.3269 -0.1723 887 PRO C CD 3126 N N . PRO C 9 ? 1.3543 1.2304 1.2446 -0.4521 0.1973 -0.1195 888 PRO C N 3127 C CA . PRO C 9 ? 1.3073 1.2303 1.2385 -0.4332 0.1835 -0.0837 888 PRO C CA 3128 C C . PRO C 9 ? 1.3577 1.2565 1.3423 -0.4137 0.2182 -0.0609 888 PRO C C 3129 O O . PRO C 9 ? 1.4044 1.2403 1.3742 -0.4120 0.2591 -0.0863 888 PRO C O 3130 C CB . PRO C 9 ? 1.2988 1.2526 1.1786 -0.4368 0.1531 -0.1029 888 PRO C CB 3131 C CG . PRO C 9 ? 1.3489 1.2999 1.1883 -0.4544 0.1426 -0.1288 888 PRO C CG 3132 C CD . PRO C 9 ? 1.3474 1.2406 1.1775 -0.4681 0.1697 -0.1467 888 PRO C CD 3133 N N . VAL C 10 ? 1.2835 1.2302 1.3305 -0.4040 0.2046 -0.0073 889 VAL C N 3134 C CA . VAL C 10 ? 1.2919 1.2350 1.4197 -0.3834 0.2346 0.0370 889 VAL C CA 3135 C C . VAL C 10 ? 1.2723 1.2733 1.4048 -0.3859 0.1949 0.0682 889 VAL C C 3136 O O . VAL C 10 ? 1.2362 1.2690 1.3041 -0.4050 0.1507 0.0515 889 VAL C O 3137 C CB . VAL C 10 ? 1.3674 1.3186 1.6036 -0.3744 0.2603 0.0990 889 VAL C CB 3138 C CG1 . VAL C 10 ? 1.4261 1.2967 1.6640 -0.3701 0.3171 0.0667 889 VAL C CG1 3139 C CG2 . VAL C 10 ? 1.3305 1.3557 1.5813 -0.3957 0.2077 0.1428 889 VAL C CG2 3140 N N . GLY C 11 ? 1.2279 1.2380 1.4408 -0.3686 0.2155 0.1175 890 GLY C N 3141 C CA . GLY C 11 ? 1.2030 1.2694 1.4338 -0.3762 0.1767 0.1603 890 GLY C CA 3142 C C . GLY C 11 ? 1.2247 1.2883 1.3578 -0.3855 0.1479 0.1068 890 GLY C C 3143 O O . GLY C 11 ? 1.1985 1.3035 1.2982 -0.4099 0.1004 0.1217 890 GLY C O 3144 N N . VAL C 12 ? 1.1818 1.1915 1.2646 -0.3718 0.1790 0.0456 891 VAL C N 3145 C CA . VAL C 12 ? 1.1510 1.1573 1.1563 -0.3770 0.1595 -0.0015 891 VAL C CA 3146 C C . VAL C 12 ? 1.1875 1.2154 1.2237 -0.3678 0.1529 0.0276 891 VAL C C 3147 O O . VAL C 12 ? 1.2016 1.2120 1.2999 -0.3460 0.1920 0.0534 891 VAL C O 3148 C CB . VAL C 12 ? 1.2149 1.1682 1.1615 -0.3760 0.1874 -0.0612 891 VAL C CB 3149 C CG1 . VAL C 12 ? 1.1878 1.1560 1.0706 -0.3847 0.1593 -0.0953 891 VAL C CG1 3150 C CG2 . VAL C 12 ? 1.2290 1.1600 1.1575 -0.3882 0.1949 -0.0799 891 VAL C CG2 3151 N N . GLN C 13 ? 1.1136 1.1748 1.1103 -0.3853 0.1089 0.0271 892 GLN C N 3152 C CA . GLN C 13 ? 1.0986 1.1835 1.1208 -0.3830 0.0947 0.0570 892 GLN C CA 3153 C C . GLN C 13 ? 1.1376 1.2173 1.0889 -0.3893 0.0763 0.0122 892 GLN C C 3154 O O . GLN C 13 ? 1.1429 1.2148 1.0328 -0.4032 0.0638 -0.0247 892 GLN C O 3155 C CB . GLN C 13 ? 1.1133 1.2486 1.1752 -0.4097 0.0548 0.1258 892 GLN C CB 3156 C CG . GLN C 13 ? 1.1934 1.3517 1.3671 -0.3988 0.0738 0.1980 892 GLN C CG 3157 C CD . GLN C 13 ? 1.3762 1.5926 1.5729 -0.4411 0.0228 0.2675 892 GLN C CD 3158 O OE1 . GLN C 13 ? 1.2159 1.4407 1.4031 -0.4592 0.0134 0.2752 892 GLN C OE1 3159 N NE2 . GLN C 13 ? 1.3593 1.6199 1.5887 -0.4631 -0.0129 0.3267 892 GLN C NE2 3160 N N . ALA C 14 ? 1.0658 1.1502 1.0365 -0.3766 0.0801 0.0208 893 ALA C N 3161 C CA . ALA C 14 ? 1.0460 1.1308 0.9686 -0.3804 0.0639 -0.0101 893 ALA C CA 3162 C C . ALA C 14 ? 1.1043 1.2191 1.0432 -0.3988 0.0289 0.0323 893 ALA C C 3163 O O . ALA C 14 ? 1.0950 1.2342 1.1043 -0.3935 0.0284 0.0883 893 ALA C O 3164 C CB . ALA C 14 ? 1.0494 1.1151 0.9741 -0.3571 0.0945 -0.0335 893 ALA C CB 3165 N N . SER C 15 ? 1.0657 1.1752 0.9416 -0.4252 0.0027 0.0108 894 SER C N 3166 C CA . SER C 15 ? 1.0661 1.1888 0.9292 -0.4559 -0.0319 0.0401 894 SER C CA 3167 C C . SER C 15 ? 1.0667 1.1725 0.9002 -0.4470 -0.0270 0.0032 894 SER C C 3168 O O . SER C 15 ? 1.0677 1.1462 0.8532 -0.4463 -0.0129 -0.0429 894 SER C O 3169 C CB . SER C 15 ? 1.1931 1.3043 0.9892 -0.5058 -0.0579 0.0429 894 SER C CB 3170 O OG . SER C 15 ? 1.4592 1.5821 1.2382 -0.5493 -0.0967 0.0817 894 SER C OG 3171 N N . ILE C 16 ? 0.9903 1.1163 0.8668 -0.4364 -0.0344 0.0301 895 ILE C N 3172 C CA . ILE C 16 ? 0.9551 1.0724 0.8179 -0.4259 -0.0304 0.0036 895 ILE C CA 3173 C C . ILE C 16 ? 1.0102 1.1043 0.8156 -0.4670 -0.0548 -0.0020 895 ILE C C 3174 O O . ILE C 16 ? 0.9818 1.0863 0.7826 -0.5045 -0.0887 0.0397 895 ILE C O 3175 C CB . ILE C 16 ? 0.9592 1.1028 0.8865 -0.3963 -0.0217 0.0301 895 ILE C CB 3176 C CG1 . ILE C 16 ? 0.9388 1.0889 0.9189 -0.3667 0.0108 0.0475 895 ILE C CG1 3177 C CG2 . ILE C 16 ? 0.9681 1.1061 0.8821 -0.3797 -0.0104 -0.0041 895 ILE C CG2 3178 C CD1 . ILE C 16 ? 1.0030 1.1262 0.9510 -0.3526 0.0426 0.0007 895 ILE C CD1 3179 N N . LEU C 17 ? 0.9846 1.0440 0.7477 -0.4642 -0.0344 -0.0491 896 LEU C N 3180 C CA . LEU C 17 ? 1.0384 1.0499 0.7344 -0.5029 -0.0377 -0.0676 896 LEU C CA 3181 C C . LEU C 17 ? 1.0714 1.0747 0.7836 -0.4925 -0.0312 -0.0762 896 LEU C C 3182 O O . LEU C 17 ? 1.1260 1.0966 0.7955 -0.5312 -0.0459 -0.0725 896 LEU C O 3183 C CB . LEU C 17 ? 1.0743 1.0371 0.7102 -0.5138 -0.0069 -0.1084 896 LEU C CB 3184 C CG . LEU C 17 ? 1.1390 1.1047 0.7468 -0.5336 -0.0156 -0.0993 896 LEU C CG 3185 C CD1 . LEU C 17 ? 1.1769 1.0978 0.7372 -0.5358 0.0219 -0.1383 896 LEU C CD1 3186 C CD2 . LEU C 17 ? 1.2420 1.2036 0.8005 -0.5933 -0.0561 -0.0644 896 LEU C CD2 3187 N N . SER C 18 ? 0.9705 1.0010 0.7381 -0.4478 -0.0110 -0.0855 897 SER C N 3188 C CA . SER C 18 ? 0.9570 0.9914 0.7556 -0.4336 -0.0045 -0.0868 897 SER C CA 3189 C C . SER C 18 ? 0.9682 1.0573 0.8311 -0.3929 -0.0003 -0.0750 897 SER C C 3190 O O . SER C 18 ? 0.9220 1.0345 0.7975 -0.3800 -0.0008 -0.0668 897 SER C O 3191 C CB . SER C 18 ? 1.0099 0.9944 0.7861 -0.4372 0.0320 -0.1193 897 SER C CB 3192 O OG . SER C 18 ? 1.0756 1.0781 0.8837 -0.4086 0.0587 -0.1304 897 SER C OG 3193 N N . HIS C 19 ? 0.9475 1.0506 0.8456 -0.3776 0.0076 -0.0738 898 HIS C N 3194 C CA . HIS C 19 ? 0.9132 1.0643 0.8562 -0.3508 0.0117 -0.0632 898 HIS C CA 3195 C C . HIS C 19 ? 0.9649 1.1258 0.9090 -0.3437 0.0297 -0.0782 898 HIS C C 3196 O O . HIS C 19 ? 0.9291 1.1255 0.8887 -0.3355 0.0296 -0.0706 898 HIS C O 3197 C CB . HIS C 19 ? 0.9141 1.0806 0.8971 -0.3436 0.0106 -0.0500 898 HIS C CB 3198 C CG . HIS C 19 ? 0.9919 1.1269 0.9822 -0.3481 0.0334 -0.0637 898 HIS C CG 3199 N ND1 . HIS C 19 ? 1.0784 1.1522 1.0322 -0.3718 0.0399 -0.0772 898 HIS C ND1 3200 C CD2 . HIS C 19 ? 0.9981 1.1495 1.0287 -0.3353 0.0566 -0.0618 898 HIS C CD2 3201 C CE1 . HIS C 19 ? 1.0909 1.1352 1.0644 -0.3667 0.0779 -0.0889 898 HIS C CE1 3202 N NE2 . HIS C 19 ? 1.0417 1.1385 1.0738 -0.3418 0.0879 -0.0740 898 HIS C NE2 3203 N N . ASP C 20 ? 0.9641 1.0921 0.8878 -0.3525 0.0455 -0.0959 899 ASP C N 3204 C CA . ASP C 20 ? 0.9650 1.1078 0.9036 -0.3473 0.0610 -0.0994 899 ASP C CA 3205 C C . ASP C 20 ? 1.0620 1.1737 0.9595 -0.3574 0.0695 -0.1178 899 ASP C C 3206 O O . ASP C 20 ? 1.0472 1.1719 0.9590 -0.3548 0.0809 -0.1171 899 ASP C O 3207 C CB . ASP C 20 ? 0.9969 1.1450 0.9903 -0.3388 0.0846 -0.0874 899 ASP C CB 3208 C CG . ASP C 20 ? 1.2208 1.3024 1.1970 -0.3452 0.1192 -0.1055 899 ASP C CG 3209 O OD1 . ASP C 20 ? 1.2344 1.2682 1.1592 -0.3626 0.1144 -0.1217 899 ASP C OD1 3210 O OD2 . ASP C 20 ? 1.4448 1.5199 1.4601 -0.3365 0.1545 -0.0992 899 ASP C OD2 3211 N N . THR C 21 ? 1.0607 1.1384 0.9118 -0.3728 0.0600 -0.1265 900 THR C N 3212 C CA . THR C 21 ? 1.0886 1.1381 0.8974 -0.3870 0.0659 -0.1400 900 THR C CA 3213 C C . THR C 21 ? 1.1235 1.1811 0.9151 -0.3951 0.0435 -0.1291 900 THR C C 3214 O O . THR C 21 ? 1.1584 1.2194 0.9501 -0.4043 0.0235 -0.1103 900 THR C O 3215 C CB . THR C 21 ? 1.2512 1.2403 1.0149 -0.4088 0.0885 -0.1578 900 THR C CB 3216 O OG1 . THR C 21 ? 1.2384 1.2187 1.0417 -0.3927 0.1245 -0.1613 900 THR C OG1 3217 C CG2 . THR C 21 ? 1.2855 1.2445 0.9972 -0.4278 0.0968 -0.1709 900 THR C CG2 3218 N N . ILE C 22 ? 1.0193 1.0818 0.8065 -0.3922 0.0490 -0.1342 901 ILE C N 3219 C CA . ILE C 22 ? 1.0007 1.0674 0.7853 -0.3968 0.0386 -0.1205 901 ILE C CA 3220 C C . ILE C 22 ? 1.0424 1.0905 0.7963 -0.4107 0.0456 -0.1315 901 ILE C C 3221 O O . ILE C 22 ? 1.0314 1.0782 0.7864 -0.4035 0.0622 -0.1476 901 ILE C O 3222 C CB . ILE C 22 ? 1.0084 1.0935 0.8232 -0.3773 0.0466 -0.1151 901 ILE C CB 3223 C CG1 . ILE C 22 ? 0.9703 1.0717 0.8107 -0.3648 0.0445 -0.1025 901 ILE C CG1 3224 C CG2 . ILE C 22 ? 1.0294 1.1095 0.8565 -0.3782 0.0497 -0.0971 901 ILE C CG2 3225 C CD1 . ILE C 22 ? 1.0181 1.1206 0.8665 -0.3525 0.0637 -0.1041 901 ILE C CD1 3226 N N . ARG C 23 ? 1.0236 1.0632 0.7546 -0.4340 0.0308 -0.1153 902 ARG C N 3227 C CA . ARG C 23 ? 1.0369 1.0615 0.7357 -0.4506 0.0359 -0.1212 902 ARG C CA 3228 C C . ARG C 23 ? 1.0436 1.0895 0.7802 -0.4386 0.0346 -0.1038 902 ARG C C 3229 O O . ARG C 23 ? 1.0252 1.0898 0.7993 -0.4371 0.0228 -0.0702 902 ARG C O 3230 C CB . ARG C 23 ? 1.0324 1.0345 0.6725 -0.4950 0.0186 -0.1095 902 ARG C CB 3231 C CG . ARG C 23 ? 1.0303 0.9937 0.6085 -0.5156 0.0401 -0.1342 902 ARG C CG 3232 C CD . ARG C 23 ? 1.3828 1.3377 0.9029 -0.5684 0.0132 -0.1097 902 ARG C CD 3233 N NE . ARG C 23 ? 1.5862 1.5172 1.0547 -0.5887 0.0296 -0.1219 902 ARG C NE 3234 C CZ . ARG C 23 ? 1.7686 1.7136 1.2084 -0.6283 0.0033 -0.0906 902 ARG C CZ 3235 N NH1 . ARG C 23 ? 1.5702 1.5588 1.0417 -0.6507 -0.0414 -0.0377 902 ARG C NH1 3236 N NH2 . ARG C 23 ? 1.6352 1.5565 1.0242 -0.6462 0.0221 -0.1038 902 ARG C NH2 3237 N N . ILE C 24 ? 1.0067 1.0478 0.7411 -0.4306 0.0509 -0.1219 903 ILE C N 3238 C CA . ILE C 24 ? 1.0071 1.0555 0.7713 -0.4221 0.0565 -0.1116 903 ILE C CA 3239 C C . ILE C 24 ? 1.1091 1.1559 0.8568 -0.4418 0.0509 -0.0995 903 ILE C C 3240 O O . ILE C 24 ? 1.1302 1.1630 0.8365 -0.4546 0.0565 -0.1166 903 ILE C O 3241 C CB . ILE C 24 ? 1.0183 1.0630 0.7908 -0.4075 0.0737 -0.1347 903 ILE C CB 3242 C CG1 . ILE C 24 ? 0.9825 1.0322 0.7620 -0.3964 0.0764 -0.1427 903 ILE C CG1 3243 C CG2 . ILE C 24 ? 1.0500 1.0838 0.8417 -0.4050 0.0865 -0.1291 903 ILE C CG2 3244 C CD1 . ILE C 24 ? 0.9811 1.0306 0.7856 -0.3867 0.0785 -0.1236 903 ILE C CD1 3245 N N . THR C 25 ? 1.0779 1.1390 0.8633 -0.4446 0.0441 -0.0642 904 THR C N 3246 C CA . THR C 25 ? 1.1078 1.1771 0.8870 -0.4661 0.0349 -0.0424 904 THR C CA 3247 C C . THR C 25 ? 1.1949 1.2676 1.0342 -0.4475 0.0523 -0.0269 904 THR C C 3248 O O . THR C 25 ? 1.1944 1.2606 1.0808 -0.4251 0.0707 -0.0200 904 THR C O 3249 C CB . THR C 25 ? 1.1457 1.2366 0.9176 -0.5015 0.0029 0.0038 904 THR C CB 3250 O OG1 . THR C 25 ? 1.1882 1.3059 1.0392 -0.4876 -0.0018 0.0500 904 THR C OG1 3251 C CG2 . THR C 25 ? 1.0914 1.1600 0.7832 -0.5315 -0.0097 -0.0171 904 THR C CG2 3252 N N . TRP C 26 ? 1.1551 1.2301 0.9893 -0.4581 0.0530 -0.0225 905 TRP C N 3253 C CA . TRP C 26 ? 1.1396 1.2116 1.0297 -0.4452 0.0718 -0.0065 905 TRP C CA 3254 C C . TRP C 26 ? 1.2041 1.2978 1.0951 -0.4679 0.0571 0.0227 905 TRP C C 3255 O O . TRP C 26 ? 1.2235 1.3275 1.0567 -0.4971 0.0352 0.0244 905 TRP C O 3256 C CB . TRP C 26 ? 1.1169 1.1556 0.9909 -0.4299 0.0968 -0.0528 905 TRP C CB 3257 C CG . TRP C 26 ? 1.1299 1.1696 0.9525 -0.4402 0.0894 -0.0819 905 TRP C CG 3258 C CD1 . TRP C 26 ? 1.1688 1.2122 0.9872 -0.4489 0.0903 -0.0804 905 TRP C CD1 3259 C CD2 . TRP C 26 ? 1.1174 1.1562 0.8995 -0.4403 0.0857 -0.1083 905 TRP C CD2 3260 N NE1 . TRP C 26 ? 1.1606 1.2046 0.9409 -0.4528 0.0910 -0.1027 905 TRP C NE1 3261 C CE2 . TRP C 26 ? 1.1704 1.2109 0.9326 -0.4467 0.0905 -0.1188 905 TRP C CE2 3262 C CE3 . TRP C 26 ? 1.1259 1.1634 0.8973 -0.4333 0.0832 -0.1197 905 TRP C CE3 3263 C CZ2 . TRP C 26 ? 1.1610 1.2006 0.9034 -0.4440 0.0986 -0.1357 905 TRP C CZ2 3264 C CZ3 . TRP C 26 ? 1.1398 1.1773 0.8869 -0.4328 0.0866 -0.1390 905 TRP C CZ3 3265 C CH2 . TRP C 26 ? 1.1562 1.1941 0.8939 -0.4370 0.0971 -0.1447 905 TRP C CH2 3266 N N . ALA C 27 ? 1.1718 1.2652 1.1236 -0.4575 0.0744 0.0448 906 ALA C N 3267 C CA . ALA C 27 ? 1.1906 1.3075 1.1611 -0.4749 0.0647 0.0777 906 ALA C CA 3268 C C . ALA C 27 ? 1.2719 1.3573 1.2450 -0.4600 0.0912 0.0432 906 ALA C C 3269 O O . ALA C 27 ? 1.2596 1.3059 1.2415 -0.4406 0.1189 0.0126 906 ALA C O 3270 C CB . ALA C 27 ? 1.2006 1.3524 1.2707 -0.4758 0.0625 0.1538 906 ALA C CB 3271 N N . ASP C 28 ? 1.2649 1.3642 1.2199 -0.4756 0.0820 0.0476 907 ASP C N 3272 C CA . ASP C 28 ? 1.2768 1.3542 1.2392 -0.4681 0.1003 0.0252 907 ASP C CA 3273 C C . ASP C 28 ? 1.3905 1.4917 1.4176 -0.4748 0.1002 0.0762 907 ASP C C 3274 O O . ASP C 28 ? 1.3902 1.5309 1.4030 -0.4984 0.0757 0.1088 907 ASP C O 3275 C CB . ASP C 28 ? 1.2927 1.3701 1.1882 -0.4771 0.0935 -0.0091 907 ASP C CB 3276 C CG . ASP C 28 ? 1.3713 1.4342 1.2753 -0.4746 0.1053 -0.0266 907 ASP C CG 3277 O OD1 . ASP C 28 ? 1.3904 1.4311 1.3381 -0.4700 0.1202 -0.0213 907 ASP C OD1 3278 O OD2 . ASP C 28 ? 1.4081 1.4775 1.2783 -0.4786 0.1038 -0.0428 907 ASP C OD2 3279 N N . ASN C 29 ? 1.3958 1.4682 1.4921 -0.4579 0.1316 0.0859 908 ASN C N 3280 C CA . ASN C 29 ? 1.4142 1.5087 1.5940 -0.4598 0.1383 0.1418 908 ASN C CA 3281 C C . ASN C 29 ? 1.4991 1.6077 1.6602 -0.4742 0.1270 0.1392 908 ASN C C 3282 O O . ASN C 29 ? 1.4951 1.6492 1.7021 -0.4875 0.1124 0.1946 908 ASN C O 3283 C CB . ASN C 29 ? 1.4403 1.4898 1.7093 -0.4359 0.1883 0.1581 908 ASN C CB 3284 C CG . ASN C 29 ? 1.5583 1.6252 1.8934 -0.4224 0.1976 0.2046 908 ASN C CG 3285 O OD1 . ASN C 29 ? 1.2839 1.4111 1.6139 -0.4381 0.1561 0.2424 908 ASN C OD1 3286 N ND2 . ASN C 29 ? 1.4850 1.4944 1.8831 -0.3967 0.2563 0.2059 908 ASN C ND2 3287 N N . SER C 30 ? 1.4809 1.5598 1.5767 -0.4753 0.1295 0.0831 909 SER C N 3288 C CA . SER C 30 ? 1.4850 1.5773 1.5615 -0.4869 0.1208 0.0786 909 SER C CA 3289 C C . SER C 30 ? 1.5519 1.6898 1.5751 -0.5057 0.0952 0.0926 909 SER C C 3290 O O . SER C 30 ? 1.5567 1.7030 1.5533 -0.5129 0.0943 0.0849 909 SER C O 3291 C CB . SER C 30 ? 1.5415 1.5951 1.5789 -0.4865 0.1297 0.0284 909 SER C CB 3292 O OG . SER C 30 ? 1.6566 1.6818 1.6541 -0.4814 0.1338 -0.0086 909 SER C OG 3293 N N . LEU C 31 ? 1.5279 1.6892 1.5320 -0.5182 0.0781 0.1153 910 LEU C N 3294 C CA . LEU C 31 ? 1.5585 1.7459 1.4907 -0.5499 0.0579 0.1279 910 LEU C CA 3295 C C . LEU C 31 ? 1.7057 1.9426 1.6807 -0.5780 0.0318 0.2008 910 LEU C C 3296 O O . LEU C 31 ? 1.6782 1.9267 1.7415 -0.5636 0.0330 0.2367 910 LEU C O 3297 C CB . LEU C 31 ? 1.5516 1.7180 1.4105 -0.5540 0.0551 0.0934 910 LEU C CB 3298 C CG . LEU C 31 ? 1.5747 1.7053 1.3886 -0.5347 0.0764 0.0356 910 LEU C CG 3299 C CD1 . LEU C 31 ? 1.5830 1.6967 1.3392 -0.5415 0.0735 0.0145 910 LEU C CD1 3300 C CD2 . LEU C 31 ? 1.6069 1.7331 1.3805 -0.5416 0.0932 0.0237 910 LEU C CD2 3301 N N . PRO C 32 ? 1.7641 2.0305 1.6789 -0.6226 0.0099 0.2297 911 PRO C N 3302 C CA . PRO C 32 ? 1.8027 2.1291 1.7614 -0.6609 -0.0254 0.3132 911 PRO C CA 3303 C C . PRO C 32 ? 1.8824 2.2232 1.8342 -0.6810 -0.0512 0.3390 911 PRO C C 3304 O O . PRO C 32 ? 1.8765 2.1747 1.7679 -0.6687 -0.0409 0.2836 911 PRO C O 3305 C CB . PRO C 32 ? 1.8894 2.2316 1.7535 -0.7132 -0.0402 0.3260 911 PRO C CB 3306 C CG . PRO C 32 ? 1.9272 2.2184 1.7334 -0.6866 -0.0013 0.2542 911 PRO C CG 3307 C CD . PRO C 32 ? 1.8272 2.0727 1.6334 -0.6450 0.0201 0.1951 911 PRO C CD 3308 N N . LYS C 33 ? 1.8758 2.2831 1.9022 -0.7127 -0.0861 0.4322 912 LYS C N 3309 C CA . LYS C 33 ? 1.9047 2.3433 1.9500 -0.7380 -0.1181 0.4810 912 LYS C CA 3310 C C . LYS C 33 ? 2.0285 2.4341 1.9143 -0.7862 -0.1398 0.4374 912 LYS C C 3311 O O . LYS C 33 ? 1.9999 2.4024 1.8924 -0.7846 -0.1506 0.4405 912 LYS C O 3312 C CB . LYS C 33 ? 1.9656 2.4968 2.1166 -0.7789 -0.1598 0.6064 912 LYS C CB 3313 C CG . LYS C 33 ? 2.0369 2.6036 2.3660 -0.7384 -0.1477 0.6763 912 LYS C CG 3314 C CD . LYS C 33 ? 2.1110 2.7776 2.5681 -0.7756 -0.1848 0.8131 912 LYS C CD 3315 C CE . LYS C 33 ? 2.1263 2.7670 2.7631 -0.6870 -0.1192 0.8294 912 LYS C CE 3316 N NZ . LYS C 33 ? 2.1536 2.7688 2.8424 -0.6486 -0.0828 0.8269 912 LYS C NZ 3317 N N . HIS C 34 ? 2.0530 2.4260 1.7961 -0.8286 -0.1387 0.3964 913 HIS C N 3318 C CA . HIS C 34 ? 2.1235 2.4408 1.6987 -0.8777 -0.1419 0.3450 913 HIS C CA 3319 C C . HIS C 34 ? 2.1146 2.3607 1.6611 -0.8218 -0.0981 0.2543 913 HIS C C 3320 O O . HIS C 34 ? 2.1710 2.3698 1.6096 -0.8517 -0.0967 0.2170 913 HIS C O 3321 C CB . HIS C 34 ? 2.2343 2.5238 1.6671 -0.9383 -0.1364 0.3284 913 HIS C CB 3322 C CG . HIS C 34 ? 2.2460 2.5171 1.6995 -0.8930 -0.0921 0.2916 913 HIS C CG 3323 N ND1 . HIS C 34 ? 2.2972 2.6108 1.7607 -0.9229 -0.1050 0.3400 913 HIS C ND1 3324 C CD2 . HIS C 34 ? 2.2262 2.4467 1.6924 -0.8277 -0.0403 0.2195 913 HIS C CD2 3325 C CE1 . HIS C 34 ? 2.2575 2.5415 1.7388 -0.8722 -0.0590 0.2926 913 HIS C CE1 3326 N NE2 . HIS C 34 ? 2.2185 2.4487 1.7036 -0.8163 -0.0209 0.2228 913 HIS C NE2 3327 N N . GLN C 35 ? 1.9537 2.1924 1.5972 -0.7468 -0.0638 0.2241 914 GLN C N 3328 C CA . GLN C 35 ? 1.8803 2.0693 1.5259 -0.6918 -0.0273 0.1535 914 GLN C CA 3329 C C . GLN C 35 ? 1.9333 2.0591 1.4619 -0.6983 0.0073 0.0858 914 GLN C C 3330 O O . GLN C 35 ? 1.9404 2.0268 1.4189 -0.6954 0.0194 0.0473 914 GLN C O 3331 C CB . GLN C 35 ? 1.8559 2.0521 1.5499 -0.6752 -0.0406 0.1635 914 GLN C CB 3332 C CG . GLN C 35 ? 1.9066 2.1473 1.7447 -0.6438 -0.0457 0.2197 914 GLN C CG 3333 C CD . GLN C 35 ? 2.0132 2.2269 1.9162 -0.5855 -0.0055 0.1819 914 GLN C CD 3334 O OE1 . GLN C 35 ? 1.9230 2.1011 1.8228 -0.5524 0.0161 0.1339 914 GLN C OE1 3335 N NE2 . GLN C 35 ? 1.8713 2.1011 1.8321 -0.5785 0.0031 0.2068 914 GLN C NE2 3336 N N . LYS C 36 ? 1.8774 1.9937 1.3755 -0.7037 0.0295 0.0766 915 LYS C N 3337 C CA . LYS C 36 ? 1.9060 1.9621 1.3113 -0.7068 0.0764 0.0245 915 LYS C CA 3338 C C . LYS C 36 ? 1.8338 1.8871 1.3024 -0.6537 0.1133 0.0013 915 LYS C C 3339 O O . LYS C 36 ? 1.8005 1.8865 1.3179 -0.6483 0.1080 0.0275 915 LYS C O 3340 C CB . LYS C 36 ? 2.0442 2.0786 1.3256 -0.7769 0.0777 0.0365 915 LYS C CB 3341 C CG . LYS C 36 ? 2.1110 2.1121 1.2778 -0.8416 0.0579 0.0355 915 LYS C CG 3342 C CD . LYS C 36 ? 2.2214 2.2589 1.3281 -0.9225 0.0101 0.0953 915 LYS C CD 3343 C CE . LYS C 36 ? 2.4062 2.3777 1.3336 -1.0104 0.0099 0.0783 915 LYS C CE 3344 N NZ . LYS C 36 ? 2.5326 2.4643 1.3321 -1.0687 0.0366 0.0721 915 LYS C NZ 3345 N N . ILE C 37 ? 1.7260 1.7445 1.1990 -0.6187 0.1481 -0.0406 916 ILE C N 3346 C CA . ILE C 37 ? 1.6590 1.6804 1.1950 -0.5759 0.1789 -0.0529 916 ILE C CA 3347 C C . ILE C 37 ? 1.7516 1.7395 1.2303 -0.5882 0.2282 -0.0603 916 ILE C C 3348 O O . ILE C 37 ? 1.8272 1.7567 1.2182 -0.6075 0.2685 -0.0857 916 ILE C O 3349 C CB . ILE C 37 ? 1.6377 1.6528 1.2235 -0.5372 0.1904 -0.0766 916 ILE C CB 3350 C CG1 . ILE C 37 ? 1.5807 1.6164 1.2062 -0.5281 0.1511 -0.0741 916 ILE C CG1 3351 C CG2 . ILE C 37 ? 1.5884 1.6234 1.2492 -0.5058 0.2084 -0.0706 916 ILE C CG2 3352 C CD1 . ILE C 37 ? 1.6586 1.6694 1.2325 -0.5412 0.1464 -0.0894 916 ILE C CD1 3353 N N . THR C 38 ? 1.6489 1.6669 1.1771 -0.5776 0.2308 -0.0382 917 THR C N 3354 C CA . THR C 38 ? 1.6888 1.6829 1.1808 -0.5841 0.2800 -0.0369 917 THR C CA 3355 C C . THR C 38 ? 1.6415 1.6583 1.2348 -0.5388 0.3044 -0.0271 917 THR C C 3356 O O . THR C 38 ? 1.6894 1.6815 1.2751 -0.5307 0.3611 -0.0252 917 THR C O 3357 C CB . THR C 38 ? 1.8258 1.8412 1.2772 -0.6243 0.2577 -0.0077 917 THR C CB 3358 O OG1 . THR C 38 ? 1.7906 1.8681 1.3366 -0.6119 0.2045 0.0241 917 THR C OG1 3359 C CG2 . THR C 38 ? 1.8500 1.8341 1.1752 -0.6860 0.2451 -0.0109 917 THR C CG2 3360 N N . ASP C 39 ? 1.4737 1.5334 1.1587 -0.5143 0.2648 -0.0176 918 ASP C N 3361 C CA . ASP C 39 ? 1.4008 1.4913 1.1806 -0.4857 0.2710 0.0009 918 ASP C CA 3362 C C . ASP C 39 ? 1.3858 1.4761 1.2092 -0.4628 0.2816 -0.0058 918 ASP C C 3363 O O . ASP C 39 ? 1.3822 1.4399 1.1609 -0.4627 0.2954 -0.0304 918 ASP C O 3364 C CB . ASP C 39 ? 1.3613 1.4930 1.2027 -0.4881 0.2242 0.0215 918 ASP C CB 3365 C CG . ASP C 39 ? 1.3552 1.4887 1.2022 -0.4932 0.1810 0.0092 918 ASP C CG 3366 O OD1 . ASP C 39 ? 1.3214 1.4457 1.1707 -0.4843 0.1750 -0.0093 918 ASP C OD1 3367 O OD2 . ASP C 39 ? 1.3931 1.5379 1.2540 -0.5041 0.1580 0.0229 918 ASP C OD2 3368 N N . SER C 40 ? 1.2908 1.4219 1.2037 -0.4492 0.2711 0.0226 919 SER C N 3369 C CA . SER C 40 ? 1.2465 1.3984 1.2221 -0.4347 0.2719 0.0364 919 SER C CA 3370 C C . SER C 40 ? 1.2437 1.4030 1.2140 -0.4437 0.2229 0.0180 919 SER C C 3371 O O . SER C 40 ? 1.2323 1.4168 1.2519 -0.4403 0.2141 0.0349 919 SER C O 3372 C CB . SER C 40 ? 1.2632 1.4644 1.3354 -0.4297 0.2730 0.0878 919 SER C CB 3373 O OG . SER C 40 ? 1.2928 1.5226 1.3857 -0.4513 0.2191 0.0984 919 SER C OG 3374 N N . ARG C 41 ? 1.1757 1.3156 1.0932 -0.4566 0.1941 -0.0093 920 ARG C N 3375 C CA . ARG C 41 ? 1.1519 1.2885 1.0623 -0.4631 0.1603 -0.0274 920 ARG C CA 3376 C C . ARG C 41 ? 1.1975 1.3218 1.0898 -0.4523 0.1714 -0.0438 920 ARG C C 3377 O O . ARG C 41 ? 1.2218 1.3220 1.0810 -0.4444 0.2042 -0.0535 920 ARG C O 3378 C CB . ARG C 41 ? 1.1612 1.2792 1.0417 -0.4736 0.1385 -0.0426 920 ARG C CB 3379 C CG . ARG C 41 ? 1.1770 1.2744 1.0063 -0.4735 0.1435 -0.0569 920 ARG C CG 3380 C CD . ARG C 41 ? 1.1761 1.2706 1.0078 -0.4826 0.1248 -0.0499 920 ARG C CD 3381 N NE . ARG C 41 ? 1.3099 1.4183 1.1642 -0.4902 0.1248 -0.0273 920 ARG C NE 3382 C CZ . ARG C 41 ? 1.5391 1.6495 1.4244 -0.4955 0.1135 -0.0111 920 ARG C CZ 3383 N NH1 . ARG C 41 ? 1.3710 1.4668 1.2711 -0.4922 0.1073 -0.0137 920 ARG C NH1 3384 N NH2 . ARG C 41 ? 1.4076 1.5335 1.3183 -0.5021 0.1140 0.0121 920 ARG C NH2 3385 N N . TYR C 42 ? 1.1105 1.2449 1.0164 -0.4576 0.1460 -0.0478 921 TYR C N 3386 C CA . TYR C 42 ? 1.0844 1.2129 0.9803 -0.4488 0.1496 -0.0605 921 TYR C CA 3387 C C . TYR C 42 ? 1.1197 1.2388 0.9926 -0.4608 0.1192 -0.0794 921 TYR C C 3388 O O . TYR C 42 ? 1.1186 1.2374 0.9937 -0.4798 0.0991 -0.0777 921 TYR C O 3389 C CB . TYR C 42 ? 1.0891 1.2503 1.0467 -0.4403 0.1641 -0.0294 921 TYR C CB 3390 C CG . TYR C 42 ? 1.0913 1.2964 1.0950 -0.4627 0.1287 0.0016 921 TYR C CG 3391 C CD1 . TYR C 42 ? 1.0914 1.3072 1.0866 -0.4780 0.1012 -0.0018 921 TYR C CD1 3392 C CD2 . TYR C 42 ? 1.1106 1.3494 1.1653 -0.4747 0.1227 0.0407 921 TYR C CD2 3393 C CE1 . TYR C 42 ? 1.1062 1.3610 1.1273 -0.5136 0.0650 0.0309 921 TYR C CE1 3394 C CE2 . TYR C 42 ? 1.1056 1.3877 1.1964 -0.5087 0.0836 0.0774 921 TYR C CE2 3395 C CZ . TYR C 42 ? 1.1520 1.4406 1.2197 -0.5321 0.0537 0.0721 921 TYR C CZ 3396 O OH . TYR C 42 ? 1.1272 1.4559 1.2118 -0.5805 0.0104 0.1105 921 TYR C OH 3397 N N . TYR C 43 ? 1.0731 1.1764 0.9195 -0.4520 0.1212 -0.0982 922 TYR C N 3398 C CA . TYR C 43 ? 1.0517 1.1408 0.8768 -0.4587 0.1029 -0.1155 922 TYR C CA 3399 C C . TYR C 43 ? 1.1002 1.2086 0.9383 -0.4612 0.0950 -0.1108 922 TYR C C 3400 O O . TYR C 43 ? 1.0849 1.2115 0.9497 -0.4484 0.1088 -0.0977 922 TYR C O 3401 C CB . TYR C 43 ? 1.0475 1.1134 0.8434 -0.4495 0.1066 -0.1295 922 TYR C CB 3402 C CG . TYR C 43 ? 1.0791 1.1376 0.8674 -0.4529 0.1100 -0.1216 922 TYR C CG 3403 C CD1 . TYR C 43 ? 1.1124 1.1619 0.9151 -0.4585 0.1047 -0.1162 922 TYR C CD1 3404 C CD2 . TYR C 43 ? 1.1017 1.1575 0.8656 -0.4549 0.1228 -0.1175 922 TYR C CD2 3405 C CE1 . TYR C 43 ? 1.1416 1.1948 0.9506 -0.4633 0.1051 -0.0984 922 TYR C CE1 3406 C CE2 . TYR C 43 ? 1.1320 1.1869 0.8822 -0.4670 0.1211 -0.1043 922 TYR C CE2 3407 C CZ . TYR C 43 ? 1.2387 1.3002 1.0197 -0.4697 0.1087 -0.0904 922 TYR C CZ 3408 O OH . TYR C 43 ? 1.2887 1.3594 1.0690 -0.4827 0.1044 -0.0675 922 TYR C OH 3409 N N . THR C 44 ? 1.0745 1.1739 0.8925 -0.4805 0.0780 -0.1199 923 THR C N 3410 C CA . THR C 44 ? 1.0764 1.1966 0.8970 -0.4916 0.0648 -0.1127 923 THR C CA 3411 C C . THR C 44 ? 1.1304 1.2177 0.9112 -0.4870 0.0679 -0.1399 923 THR C C 3412 O O . THR C 44 ? 1.1463 1.1926 0.8941 -0.4967 0.0743 -0.1591 923 THR C O 3413 C CB . THR C 44 ? 1.2489 1.3922 1.0725 -0.5324 0.0400 -0.0905 923 THR C CB 3414 O OG1 . THR C 44 ? 1.3034 1.4793 1.1779 -0.5312 0.0407 -0.0584 923 THR C OG1 3415 C CG2 . THR C 44 ? 1.1691 1.3498 1.0024 -0.5519 0.0199 -0.0686 923 THR C CG2 3416 N N . VAL C 45 ? 1.0678 1.1691 0.8597 -0.4694 0.0705 -0.1385 924 VAL C N 3417 C CA . VAL C 45 ? 1.0595 1.1382 0.8255 -0.4619 0.0737 -0.1564 924 VAL C CA 3418 C C . VAL C 45 ? 1.1132 1.2086 0.8667 -0.4845 0.0593 -0.1509 924 VAL C C 3419 O O . VAL C 45 ? 1.0996 1.2405 0.8890 -0.4905 0.0468 -0.1240 924 VAL C O 3420 C CB . VAL C 45 ? 1.0693 1.1505 0.8486 -0.4352 0.0819 -0.1567 924 VAL C CB 3421 C CG1 . VAL C 45 ? 1.0582 1.1231 0.8224 -0.4275 0.0826 -0.1662 924 VAL C CG1 3422 C CG2 . VAL C 45 ? 1.0630 1.1306 0.8398 -0.4274 0.0914 -0.1568 924 VAL C CG2 3423 N N . ARG C 46 ? 1.0947 1.1532 0.8011 -0.4987 0.0654 -0.1709 925 ARG C N 3424 C CA . ARG C 46 ? 1.1070 1.1749 0.7816 -0.5288 0.0525 -0.1679 925 ARG C CA 3425 C C . ARG C 46 ? 1.1644 1.2056 0.8187 -0.5122 0.0702 -0.1847 925 ARG C C 3426 O O . ARG C 46 ? 1.1664 1.1657 0.8184 -0.4897 0.0966 -0.2003 925 ARG C O 3427 C CB . ARG C 46 ? 1.1379 1.1770 0.7508 -0.5830 0.0453 -0.1754 925 ARG C CB 3428 C CG . ARG C 46 ? 1.1203 1.0751 0.6780 -0.5869 0.0820 -0.2127 925 ARG C CG 3429 C CD . ARG C 46 ? 1.2404 1.1481 0.7112 -0.6519 0.0808 -0.2278 925 ARG C CD 3430 N NE . ARG C 46 ? 1.3698 1.1799 0.7908 -0.6516 0.1334 -0.2660 925 ARG C NE 3431 C CZ . ARG C 46 ? 1.5756 1.3048 0.8996 -0.7081 0.1553 -0.2946 925 ARG C CZ 3432 N NH1 . ARG C 46 ? 1.5234 1.2660 0.7806 -0.7794 0.1161 -0.2862 925 ARG C NH1 3433 N NH2 . ARG C 46 ? 1.4112 1.0421 0.7055 -0.6985 0.2192 -0.3273 925 ARG C NH2 3434 N N . TRP C 47 ? 1.1166 1.1889 0.7677 -0.5236 0.0557 -0.1724 926 TRP C N 3435 C CA . TRP C 47 ? 1.1114 1.1669 0.7484 -0.5088 0.0707 -0.1824 926 TRP C CA 3436 C C . TRP C 47 ? 1.2164 1.2915 0.8147 -0.5472 0.0546 -0.1730 926 TRP C C 3437 O O . TRP C 47 ? 1.2018 1.3321 0.8188 -0.5750 0.0221 -0.1424 926 TRP C O 3438 C CB . TRP C 47 ? 1.0193 1.1036 0.7189 -0.4638 0.0694 -0.1704 926 TRP C CB 3439 C CG . TRP C 47 ? 0.9836 1.1259 0.7345 -0.4594 0.0484 -0.1432 926 TRP C CG 3440 C CD1 . TRP C 47 ? 1.0031 1.1829 0.7761 -0.4608 0.0369 -0.1240 926 TRP C CD1 3441 C CD2 . TRP C 47 ? 0.9584 1.1253 0.7535 -0.4529 0.0447 -0.1270 926 TRP C CD2 3442 N NE1 . TRP C 47 ? 0.9617 1.1872 0.7996 -0.4534 0.0291 -0.0940 926 TRP C NE1 3443 C CE2 . TRP C 47 ? 0.9843 1.1995 0.8354 -0.4479 0.0374 -0.0960 926 TRP C CE2 3444 C CE3 . TRP C 47 ? 0.9660 1.1178 0.7640 -0.4498 0.0521 -0.1322 926 TRP C CE3 3445 C CZ2 . TRP C 47 ? 0.9530 1.1938 0.8669 -0.4364 0.0466 -0.0704 926 TRP C CZ2 3446 C CZ3 . TRP C 47 ? 0.9533 1.1324 0.8022 -0.4414 0.0565 -0.1099 926 TRP C CZ3 3447 C CH2 . TRP C 47 ? 0.9422 1.1621 0.8501 -0.4336 0.0579 -0.0792 926 TRP C CH2 3448 N N . LYS C 48 ? 1.2331 1.2664 0.7837 -0.5501 0.0793 -0.1921 927 LYS C N 3449 C CA . LYS C 48 ? 1.2975 1.3378 0.7925 -0.5903 0.0707 -0.1874 927 LYS C CA 3450 C C . LYS C 48 ? 1.4076 1.4144 0.8964 -0.5602 0.1059 -0.2013 927 LYS C C 3451 O O . LYS C 48 ? 1.3933 1.3526 0.8992 -0.5244 0.1433 -0.2172 927 LYS C O 3452 C CB . LYS C 48 ? 1.4419 1.4303 0.8267 -0.6624 0.0736 -0.2062 927 LYS C CB 3453 C CG . LYS C 48 ? 1.5734 1.4479 0.8762 -0.6691 0.1354 -0.2538 927 LYS C CG 3454 C CD . LYS C 48 ? 1.8023 1.6124 0.9713 -0.7550 0.1405 -0.2767 927 LYS C CD 3455 C CE . LYS C 48 ? 2.0664 1.7503 1.1339 -0.7699 0.2174 -0.3250 927 LYS C CE 3456 N NZ . LYS C 48 ? 2.2124 1.8032 1.2698 -0.7566 0.2724 -0.3573 927 LYS C NZ 3457 N N . THR C 49 ? 1.4390 1.4767 0.9141 -0.5750 0.0937 -0.1868 928 THR C N 3458 C CA . THR C 49 ? 1.4848 1.4928 0.9552 -0.5483 0.1290 -0.1954 928 THR C CA 3459 C C . THR C 49 ? 1.7332 1.6401 1.0978 -0.5804 0.1847 -0.2330 928 THR C C 3460 O O . THR C 49 ? 1.8104 1.6858 1.0772 -0.6454 0.1802 -0.2482 928 THR C O 3461 C CB . THR C 49 ? 1.6019 1.6711 1.0867 -0.5565 0.1027 -0.1677 928 THR C CB 3462 O OG1 . THR C 49 ? 1.7726 1.8323 1.1580 -0.6269 0.0936 -0.1695 928 THR C OG1 3463 C CG2 . THR C 49 ? 1.4692 1.6272 1.0496 -0.5372 0.0563 -0.1295 928 THR C CG2 3464 N N . ASN C 50 ? 1.7648 1.6184 1.1515 -0.5383 0.2401 -0.2432 929 ASN C N 3465 C CA . ASN C 50 ? 1.9160 1.6585 1.2232 -0.5536 0.3168 -0.2763 929 ASN C CA 3466 C C . ASN C 50 ? 2.1152 1.8167 1.2908 -0.6192 0.3316 -0.2965 929 ASN C C 3467 O O . ASN C 50 ? 2.2571 1.8593 1.3131 -0.6723 0.3762 -0.3348 929 ASN C O 3468 C CB . ASN C 50 ? 1.9246 1.6471 1.3178 -0.4882 0.3689 -0.2598 929 ASN C CB 3469 C CG . ASN C 50 ? 2.2723 1.8903 1.6574 -0.4754 0.4525 -0.2782 929 ASN C CG 3470 O OD1 . ASN C 50 ? 2.1059 1.7071 1.5146 -0.4712 0.4533 -0.2829 929 ASN C OD1 3471 N ND2 . ASN C 50 ? 2.2680 1.8127 1.6299 -0.4656 0.5310 -0.2846 929 ASN C ND2 3472 N N . ILE C 51 ? 2.0310 1.8046 1.2225 -0.6213 0.2950 -0.2701 930 ILE C N 3473 C CA . ILE C 51 ? 2.4325 2.1858 1.5054 -0.6865 0.2993 -0.2783 930 ILE C CA 3474 C C . ILE C 51 ? 2.6679 2.5385 1.7613 -0.7234 0.2100 -0.2368 930 ILE C C 3475 O O . ILE C 51 ? 2.0963 2.0604 1.3125 -0.6736 0.1693 -0.1990 930 ILE C O 3476 C CB . ILE C 51 ? 2.4969 2.2221 1.5764 -0.6531 0.3543 -0.2763 930 ILE C CB 3477 C CG1 . ILE C 51 ? 2.5003 2.1613 1.6571 -0.5789 0.4337 -0.2812 930 ILE C CG1 3478 C CG2 . ILE C 51 ? 2.6423 2.3169 1.5672 -0.7298 0.3774 -0.2948 930 ILE C CG2 3479 C CD1 . ILE C 51 ? 2.6977 2.2282 1.8054 -0.5811 0.5203 -0.3198 930 ILE C CD1 3480 N N . ASN C 54 ? 2.6198 2.2055 1.2728 -1.0314 0.1990 -0.3524 933 ASN C N 3481 C CA . ASN C 54 ? 2.6800 2.3311 1.2554 -1.1249 0.1306 -0.3151 933 ASN C CA 3482 C C . ASN C 54 ? 2.5588 2.3808 1.2984 -1.0929 0.0408 -0.2381 933 ASN C C 3483 O O . ASN C 54 ? 2.5653 2.4450 1.3053 -1.1526 -0.0218 -0.1987 933 ASN C O 3484 C CB . ASN C 54 ? 2.7424 2.3624 1.2320 -1.1472 0.1626 -0.3263 933 ASN C CB 3485 C CG . ASN C 54 ? 2.8643 2.4138 1.3982 -1.0554 0.2525 -0.3629 933 ASN C CG 3486 O OD1 . ASN C 54 ? 2.7126 2.3447 1.4015 -0.9630 0.2419 -0.3334 933 ASN C OD1 3487 N ND2 . ASN C 54 ? 2.8512 2.2416 1.2549 -1.0808 0.3468 -0.4245 933 ASN C ND2 3488 N N . THR C 55 ? 2.3585 2.2528 1.2444 -0.9958 0.0424 -0.2159 934 THR C N 3489 C CA . THR C 55 ? 2.1891 2.2207 1.2447 -0.9441 -0.0156 -0.1529 934 THR C CA 3490 C C . THR C 55 ? 2.1916 2.2415 1.3018 -0.9396 -0.0382 -0.1416 934 THR C C 3491 O O . THR C 55 ? 2.2434 2.2052 1.3176 -0.9231 0.0048 -0.1896 934 THR C O 3492 C CB . THR C 55 ? 2.1668 2.2179 1.3403 -0.8382 0.0150 -0.1577 934 THR C CB 3493 O OG1 . THR C 55 ? 2.2236 2.1738 1.3764 -0.7916 0.0818 -0.2122 934 THR C OG1 3494 C CG2 . THR C 55 ? 2.1663 2.2498 1.3377 -0.8361 0.0142 -0.1408 934 THR C CG2 3495 N N . LYS C 56 ? 2.0392 2.2002 1.2344 -0.9607 -0.1018 -0.0733 935 LYS C N 3496 C CA . LYS C 56 ? 1.9604 2.1497 1.2190 -0.9569 -0.1235 -0.0520 935 LYS C CA 3497 C C . LYS C 56 ? 1.7929 1.9884 1.1735 -0.8526 -0.0925 -0.0653 935 LYS C C 3498 O O . LYS C 56 ? 1.6963 1.9278 1.1585 -0.7906 -0.0820 -0.0560 935 LYS C O 3499 C CB . LYS C 56 ? 1.9736 2.2853 1.3025 -1.0103 -0.1944 0.0384 935 LYS C CB 3500 C CG . LYS C 56 ? 2.2723 2.5799 1.4628 -1.1355 -0.2368 0.0589 935 LYS C CG 3501 C CD . LYS C 56 ? 2.2973 2.7445 1.5655 -1.1835 -0.3050 0.1614 935 LYS C CD 3502 C CE . LYS C 56 ? 2.2524 2.7360 1.5617 -1.2125 -0.3579 0.2135 935 LYS C CE 3503 N NZ . LYS C 56 ? 2.3732 2.7187 1.5747 -1.1947 -0.3360 0.1334 935 LYS C NZ 3504 N N . TYR C 57 ? 1.6872 1.8412 1.0696 -0.8393 -0.0774 -0.0884 936 TYR C N 3505 C CA . TYR C 57 ? 1.5440 1.6977 1.0220 -0.7538 -0.0498 -0.1011 936 TYR C CA 3506 C C . TYR C 57 ? 1.4671 1.7187 1.0784 -0.7207 -0.0756 -0.0427 936 TYR C C 3507 O O . TYR C 57 ? 1.4465 1.7637 1.0945 -0.7628 -0.1142 0.0123 936 TYR C O 3508 C CB . TYR C 57 ? 1.5579 1.6455 1.0040 -0.7533 -0.0276 -0.1352 936 TYR C CB 3509 C CG . TYR C 57 ? 1.6194 1.5960 0.9797 -0.7482 0.0257 -0.1961 936 TYR C CG 3510 C CD1 . TYR C 57 ? 1.5897 1.5395 0.9970 -0.6777 0.0655 -0.2176 936 TYR C CD1 3511 C CD2 . TYR C 57 ? 1.7524 1.6461 0.9910 -0.8166 0.0406 -0.2271 936 TYR C CD2 3512 C CE1 . TYR C 57 ? 1.6627 1.5172 1.0198 -0.6678 0.1212 -0.2588 936 TYR C CE1 3513 C CE2 . TYR C 57 ? 1.8357 1.6160 1.0094 -0.8068 0.1059 -0.2801 936 TYR C CE2 3514 C CZ . TYR C 57 ? 1.8532 1.6193 1.0979 -0.7282 0.1476 -0.2911 936 TYR C CZ 3515 O OH . TYR C 57 ? 1.9211 1.5818 1.1267 -0.7147 0.2184 -0.3292 936 TYR C OH 3516 N N . LYS C 58 ? 1.3405 1.5971 1.0249 -0.6483 -0.0498 -0.0514 937 LYS C N 3517 C CA . LYS C 58 ? 1.2477 1.5635 1.0491 -0.6069 -0.0498 -0.0115 937 LYS C CA 3518 C C . LYS C 58 ? 1.2484 1.5177 1.0501 -0.5746 -0.0240 -0.0432 937 LYS C C 3519 O O . LYS C 58 ? 1.2562 1.4599 0.9976 -0.5630 -0.0029 -0.0908 937 LYS C O 3520 C CB . LYS C 58 ? 1.2118 1.5443 1.0676 -0.5605 -0.0342 -0.0077 937 LYS C CB 3521 C CG . LYS C 58 ? 1.3873 1.8052 1.3316 -0.5712 -0.0555 0.0595 937 LYS C CG 3522 C CD . LYS C 58 ? 1.5037 1.9289 1.5050 -0.5245 -0.0343 0.0612 937 LYS C CD 3523 C CE . LYS C 58 ? 1.6434 2.1458 1.7707 -0.5165 -0.0363 0.1330 937 LYS C CE 3524 N NZ . LYS C 58 ? 1.7745 2.3531 1.9151 -0.5706 -0.0812 0.1916 937 LYS C NZ 3525 N N . ASN C 59 ? 1.1717 1.4756 1.0439 -0.5636 -0.0234 -0.0111 938 ASN C N 3526 C CA . ASN C 59 ? 1.1682 1.4308 1.0360 -0.5372 0.0003 -0.0383 938 ASN C CA 3527 C C . ASN C 59 ? 1.2098 1.4955 1.1610 -0.5000 0.0243 -0.0133 938 ASN C C 3528 O O . ASN C 59 ? 1.2104 1.5508 1.2437 -0.4959 0.0249 0.0366 938 ASN C O 3529 C CB . ASN C 59 ? 1.2138 1.4433 1.0205 -0.5749 -0.0106 -0.0552 938 ASN C CB 3530 C CG . ASN C 59 ? 1.5091 1.7874 1.3354 -0.6253 -0.0442 -0.0079 938 ASN C CG 3531 O OD1 . ASN C 59 ? 1.3972 1.7385 1.3164 -0.6160 -0.0493 0.0458 938 ASN C OD1 3532 N ND2 . ASN C 59 ? 1.4663 1.7101 1.2055 -0.6826 -0.0630 -0.0245 938 ASN C ND2 3533 N N . ALA C 60 ? 1.1441 1.3843 1.0754 -0.4738 0.0499 -0.0452 939 ALA C N 3534 C CA . ALA C 60 ? 1.1133 1.3513 1.0948 -0.4430 0.0844 -0.0340 939 ALA C CA 3535 C C . ALA C 60 ? 1.1409 1.3470 1.0941 -0.4405 0.0960 -0.0527 939 ALA C C 3536 O O . ALA C 60 ? 1.1366 1.3096 1.0303 -0.4497 0.0845 -0.0842 939 ALA C O 3537 C CB . ALA C 60 ? 1.1138 1.3199 1.0856 -0.4152 0.1099 -0.0568 939 ALA C CB 3538 N N . ASN C 61 ? 1.0872 1.3026 1.0907 -0.4265 0.1247 -0.0286 940 ASN C N 3539 C CA . ASN C 61 ? 1.0931 1.2817 1.0733 -0.4237 0.1398 -0.0415 940 ASN C CA 3540 C C . ASN C 61 ? 1.1291 1.2638 1.0655 -0.4051 0.1765 -0.0730 940 ASN C C 3541 O O . ASN C 61 ? 1.1231 1.2414 1.0731 -0.3899 0.2078 -0.0732 940 ASN C O 3542 C CB . ASN C 61 ? 1.0896 1.3159 1.1432 -0.4239 0.1530 0.0053 940 ASN C CB 3543 C CG . ASN C 61 ? 1.3973 1.6744 1.4789 -0.4581 0.1085 0.0405 940 ASN C CG 3544 O OD1 . ASN C 61 ? 1.2463 1.5102 1.2667 -0.4868 0.0726 0.0163 940 ASN C OD1 3545 N ND2 . ASN C 61 ? 1.4071 1.7381 1.5829 -0.4588 0.1160 0.1025 940 ASN C ND2 3546 N N . ALA C 62 ? 1.0808 1.1861 0.9619 -0.4126 0.1720 -0.0962 941 ALA C N 3547 C CA . ALA C 62 ? 1.1060 1.1631 0.9268 -0.4127 0.1948 -0.1209 941 ALA C CA 3548 C C . ALA C 62 ? 1.1759 1.2234 0.9771 -0.4209 0.2039 -0.1184 941 ALA C C 3549 O O . ALA C 62 ? 1.1453 1.2176 0.9658 -0.4273 0.1793 -0.1080 941 ALA C O 3550 C CB . ALA C 62 ? 1.1040 1.1465 0.8770 -0.4214 0.1660 -0.1418 941 ALA C CB 3551 N N . THR C 63 ? 1.2003 1.2055 0.9555 -0.4256 0.2419 -0.1291 942 THR C N 3552 C CA . THR C 63 ? 1.2411 1.2353 0.9672 -0.4377 0.2532 -0.1257 942 THR C CA 3553 C C . THR C 63 ? 1.3551 1.3213 0.9959 -0.4670 0.2348 -0.1414 942 THR C C 3554 O O . THR C 63 ? 1.3990 1.3543 1.0005 -0.4858 0.2414 -0.1370 942 THR C O 3555 C CB . THR C 63 ? 1.3962 1.3673 1.1403 -0.4262 0.3162 -0.1153 942 THR C CB 3556 O OG1 . THR C 63 ? 1.4885 1.3992 1.1873 -0.4274 0.3650 -0.1366 942 THR C OG1 3557 C CG2 . THR C 63 ? 1.3233 1.3471 1.1781 -0.4027 0.3206 -0.0767 942 THR C CG2 3558 N N . THR C 64 ? 1.3036 1.2654 0.9222 -0.4741 0.2085 -0.1515 943 THR C N 3559 C CA . THR C 64 ? 1.3395 1.2888 0.8945 -0.5065 0.1815 -0.1511 943 THR C CA 3560 C C . THR C 64 ? 1.3138 1.3024 0.9168 -0.4980 0.1371 -0.1360 943 THR C C 3561 O O . THR C 64 ? 1.2623 1.2716 0.9220 -0.4722 0.1330 -0.1380 943 THR C O 3562 C CB . THR C 64 ? 1.5420 1.4370 1.0187 -0.5303 0.2017 -0.1721 943 THR C CB 3563 O OG1 . THR C 64 ? 1.5076 1.4052 1.0243 -0.5053 0.2045 -0.1816 943 THR C OG1 3564 C CG2 . THR C 64 ? 1.5964 1.4295 1.0079 -0.5452 0.2615 -0.1906 943 THR C CG2 3565 N N . LEU C 65 ? 1.2619 1.2596 0.8434 -0.5237 0.1074 -0.1155 944 LEU C N 3566 C CA . LEU C 65 ? 1.2076 1.2365 0.8464 -0.5132 0.0787 -0.0927 944 LEU C CA 3567 C C . LEU C 65 ? 1.2576 1.2826 0.8972 -0.5081 0.0685 -0.0974 944 LEU C C 3568 O O . LEU C 65 ? 1.2397 1.2851 0.9093 -0.5126 0.0458 -0.0682 944 LEU C O 3569 C CB . LEU C 65 ? 1.2258 1.2798 0.8744 -0.5388 0.0541 -0.0502 944 LEU C CB 3570 C CG . LEU C 65 ? 1.3085 1.3751 0.9774 -0.5392 0.0602 -0.0378 944 LEU C CG 3571 C CD1 . LEU C 65 ? 1.3617 1.4587 1.0387 -0.5717 0.0332 0.0131 944 LEU C CD1 3572 C CD2 . LEU C 65 ? 1.2936 1.3670 1.0359 -0.5046 0.0705 -0.0427 944 LEU C CD2 3573 N N . SER C 66 ? 1.1960 1.1985 0.8162 -0.4964 0.0888 -0.1274 945 SER C N 3574 C CA . SER C 66 ? 1.1667 1.1650 0.7907 -0.4884 0.0837 -0.1351 945 SER C CA 3575 C C . SER C 66 ? 1.1684 1.1553 0.8047 -0.4660 0.1111 -0.1594 945 SER C C 3576 O O . SER C 66 ? 1.1809 1.1527 0.8095 -0.4634 0.1400 -0.1687 945 SER C O 3577 C CB . SER C 66 ? 1.2819 1.2587 0.8433 -0.5259 0.0697 -0.1282 945 SER C CB 3578 O OG . SER C 66 ? 1.3889 1.3151 0.8761 -0.5476 0.0999 -0.1543 945 SER C OG 3579 N N . TYR C 67 ? 1.0783 1.0764 0.7426 -0.4502 0.1041 -0.1618 946 TYR C N 3580 C CA . TYR C 67 ? 1.0483 1.0479 0.7392 -0.4318 0.1237 -0.1716 946 TYR C CA 3581 C C . TYR C 67 ? 1.1249 1.1219 0.8160 -0.4292 0.1146 -0.1734 946 TYR C C 3582 O O . TYR C 67 ? 1.0875 1.1004 0.7875 -0.4288 0.0898 -0.1634 946 TYR C O 3583 C CB . TYR C 67 ? 0.9981 1.0326 0.7406 -0.4163 0.1201 -0.1641 946 TYR C CB 3584 C CG . TYR C 67 ? 0.9704 1.0215 0.7550 -0.4038 0.1360 -0.1569 946 TYR C CG 3585 C CD1 . TYR C 67 ? 1.0108 1.0548 0.8174 -0.3981 0.1698 -0.1491 946 TYR C CD1 3586 C CD2 . TYR C 67 ? 0.9420 1.0167 0.7519 -0.3976 0.1221 -0.1511 946 TYR C CD2 3587 C CE1 . TYR C 67 ? 1.0067 1.0712 0.8753 -0.3840 0.1902 -0.1284 946 TYR C CE1 3588 C CE2 . TYR C 67 ? 0.9387 1.0380 0.8005 -0.3884 0.1346 -0.1325 946 TYR C CE2 3589 C CZ . TYR C 67 ? 1.0648 1.1613 0.9639 -0.3804 0.1690 -0.1176 946 TYR C CZ 3590 O OH . TYR C 67 ? 1.0488 1.1770 1.0245 -0.3688 0.1862 -0.0849 946 TYR C OH 3591 N N . LEU C 68 ? 1.1284 1.1027 0.8179 -0.4256 0.1412 -0.1825 947 LEU C N 3592 C CA . LEU C 68 ? 1.1295 1.0992 0.8241 -0.4228 0.1364 -0.1836 947 LEU C CA 3593 C C . LEU C 68 ? 1.1631 1.1760 0.9267 -0.3977 0.1354 -0.1712 947 LEU C C 3594 O O . LEU C 68 ? 1.1709 1.1894 0.9766 -0.3856 0.1632 -0.1631 947 LEU C O 3595 C CB . LEU C 68 ? 1.2012 1.1095 0.8507 -0.4382 0.1725 -0.2007 947 LEU C CB 3596 C CG . LEU C 68 ? 1.2980 1.1857 0.9287 -0.4492 0.1635 -0.2044 947 LEU C CG 3597 C CD1 . LEU C 68 ? 1.3367 1.2215 0.9121 -0.4834 0.1218 -0.1967 947 LEU C CD1 3598 C CD2 . LEU C 68 ? 1.4414 1.2565 1.0380 -0.4599 0.2161 -0.2252 947 LEU C CD2 3599 N N . VAL C 69 ? 1.0918 1.1362 0.8701 -0.3930 0.1062 -0.1635 948 VAL C N 3600 C CA . VAL C 69 ? 1.0596 1.1444 0.8843 -0.3818 0.0998 -0.1504 948 VAL C CA 3601 C C . VAL C 69 ? 1.1451 1.2307 0.9911 -0.3741 0.1045 -0.1452 948 VAL C C 3602 O O . VAL C 69 ? 1.1493 1.2241 0.9754 -0.3767 0.0912 -0.1487 948 VAL C O 3603 C CB . VAL C 69 ? 1.0718 1.1753 0.8891 -0.3852 0.0790 -0.1491 948 VAL C CB 3604 C CG1 . VAL C 69 ? 1.0586 1.2001 0.9030 -0.3891 0.0712 -0.1348 948 VAL C CG1 3605 C CG2 . VAL C 69 ? 1.0694 1.1607 0.8662 -0.3935 0.0791 -0.1556 948 VAL C CG2 3606 N N . THR C 70 ? 1.1107 1.2124 1.0088 -0.3647 0.1251 -0.1293 949 THR C N 3607 C CA . THR C 70 ? 1.1124 1.2147 1.0475 -0.3551 0.1376 -0.1190 949 THR C CA 3608 C C . THR C 70 ? 1.1289 1.2978 1.1274 -0.3504 0.1199 -0.0854 949 THR C C 3609 O O . THR C 70 ? 1.0999 1.3065 1.0983 -0.3619 0.0978 -0.0737 949 THR C O 3610 C CB . THR C 70 ? 1.2091 1.2634 1.1597 -0.3492 0.1892 -0.1226 949 THR C CB 3611 O OG1 . THR C 70 ? 1.1102 1.1941 1.1234 -0.3394 0.2106 -0.0958 949 THR C OG1 3612 C CG2 . THR C 70 ? 1.2666 1.2461 1.1272 -0.3687 0.2041 -0.1584 949 THR C CG2 3613 N N . GLY C 71 ? 1.0918 1.2710 1.1353 -0.3405 0.1280 -0.0694 950 GLY C N 3614 C CA . GLY C 71 ? 1.0525 1.3002 1.1607 -0.3406 0.1100 -0.0289 950 GLY C CA 3615 C C . GLY C 71 ? 1.0557 1.3344 1.1204 -0.3569 0.0701 -0.0316 950 GLY C C 3616 O O . GLY C 71 ? 1.0519 1.3884 1.1448 -0.3729 0.0494 0.0017 950 GLY C O 3617 N N . LEU C 72 ? 0.9739 1.2128 0.9703 -0.3572 0.0625 -0.0658 951 LEU C N 3618 C CA . LEU C 72 ? 0.9443 1.1934 0.8986 -0.3680 0.0428 -0.0715 951 LEU C CA 3619 C C . LEU C 72 ? 0.9818 1.2563 0.9616 -0.3618 0.0348 -0.0547 951 LEU C C 3620 O O . LEU C 72 ? 0.9612 1.2355 0.9858 -0.3476 0.0431 -0.0446 951 LEU C O 3621 C CB . LEU C 72 ? 0.9402 1.1426 0.8412 -0.3651 0.0464 -0.0997 951 LEU C CB 3622 C CG . LEU C 72 ? 0.9725 1.1521 0.8480 -0.3724 0.0528 -0.1144 951 LEU C CG 3623 C CD1 . LEU C 72 ? 0.9669 1.1090 0.8129 -0.3679 0.0560 -0.1286 951 LEU C CD1 3624 C CD2 . LEU C 72 ? 0.9666 1.1592 0.8183 -0.3934 0.0469 -0.1139 951 LEU C CD2 3625 N N . LYS C 73 ? 0.9426 1.2331 0.8907 -0.3751 0.0240 -0.0518 952 LYS C N 3626 C CA . LYS C 73 ? 0.9194 1.2366 0.8889 -0.3701 0.0173 -0.0337 952 LYS C CA 3627 C C . LYS C 73 ? 0.9265 1.2076 0.8829 -0.3502 0.0248 -0.0483 952 LYS C C 3628 O O . LYS C 73 ? 0.9253 1.1700 0.8428 -0.3491 0.0345 -0.0671 952 LYS C O 3629 C CB . LYS C 73 ? 0.9830 1.3275 0.9123 -0.4002 0.0072 -0.0226 952 LYS C CB 3630 C CG . LYS C 73 ? 1.2755 1.6800 1.2365 -0.4298 -0.0138 0.0147 952 LYS C CG 3631 C CD . LYS C 73 ? 1.4912 1.9451 1.4357 -0.4649 -0.0339 0.0458 952 LYS C CD 3632 C CE . LYS C 73 ? 1.6774 2.1924 1.6497 -0.5057 -0.0613 0.0907 952 LYS C CE 3633 N NZ . LYS C 73 ? 1.7958 2.3826 1.7781 -0.5468 -0.0910 0.1423 952 LYS C NZ 3634 N N . PRO C 74 ? 0.8402 1.1340 0.8366 -0.3365 0.0201 -0.0327 953 PRO C N 3635 C CA . PRO C 74 ? 0.8203 1.0899 0.8113 -0.3241 0.0208 -0.0340 953 PRO C CA 3636 C C . PRO C 74 ? 0.8491 1.1163 0.8126 -0.3226 0.0327 -0.0318 953 PRO C C 3637 O O . PRO C 74 ? 0.8658 1.1505 0.8053 -0.3359 0.0375 -0.0304 953 PRO C O 3638 C CB . PRO C 74 ? 0.8256 1.1122 0.8656 -0.3160 0.0117 -0.0146 953 PRO C CB 3639 C CG . PRO C 74 ? 0.8832 1.2119 0.9599 -0.3199 0.0106 0.0023 953 PRO C CG 3640 C CD . PRO C 74 ? 0.8367 1.1705 0.8945 -0.3334 0.0143 -0.0053 953 PRO C CD 3641 N N . ASN C 75 ? 0.8092 1.0516 0.7752 -0.3110 0.0413 -0.0273 954 ASN C N 3642 C CA . ASN C 75 ? 0.8399 1.0682 0.7957 -0.3023 0.0695 -0.0197 954 ASN C CA 3643 C C . ASN C 75 ? 0.9501 1.1500 0.8425 -0.3188 0.0965 -0.0460 954 ASN C C 3644 O O . ASN C 75 ? 0.9893 1.1799 0.8470 -0.3268 0.1204 -0.0485 954 ASN C O 3645 C CB . ASN C 75 ? 0.8122 1.0699 0.7957 -0.2933 0.0691 0.0044 954 ASN C CB 3646 C CG . ASN C 75 ? 0.9913 1.2302 0.9827 -0.2773 0.1063 0.0212 954 ASN C CG 3647 O OD1 . ASN C 75 ? 0.9666 1.1897 0.9944 -0.2624 0.1181 0.0408 954 ASN C OD1 3648 N ND2 . ASN C 75 ? 0.9039 1.1456 0.8663 -0.2824 0.1283 0.0205 954 ASN C ND2 3649 N N . THR C 76 ? 0.9492 1.1303 0.8173 -0.3298 0.0937 -0.0664 955 THR C N 3650 C CA . THR C 76 ? 1.0095 1.1592 0.8110 -0.3544 0.1140 -0.0921 955 THR C CA 3651 C C . THR C 76 ? 1.0446 1.1495 0.8396 -0.3482 0.1355 -0.1049 955 THR C C 3652 O O . THR C 76 ? 0.9711 1.0859 0.7981 -0.3398 0.1157 -0.1000 955 THR C O 3653 C CB . THR C 76 ? 1.2000 1.3861 0.9849 -0.3828 0.0827 -0.0950 955 THR C CB 3654 O OG1 . THR C 76 ? 1.2250 1.4596 1.0322 -0.3878 0.0641 -0.0724 955 THR C OG1 3655 C CG2 . THR C 76 ? 1.2570 1.4151 0.9652 -0.4219 0.0931 -0.1158 955 THR C CG2 3656 N N . LEU C 77 ? 1.0811 1.1309 0.8301 -0.3561 0.1811 -0.1212 956 LEU C N 3657 C CA . LEU C 77 ? 1.1120 1.1127 0.8579 -0.3515 0.2116 -0.1314 956 LEU C CA 3658 C C . LEU C 77 ? 1.2148 1.2034 0.8998 -0.3864 0.1970 -0.1605 956 LEU C C 3659 O O . LEU C 77 ? 1.2723 1.2531 0.8871 -0.4235 0.1948 -0.1775 956 LEU C O 3660 C CB . LEU C 77 ? 1.1835 1.1158 0.9130 -0.3428 0.2827 -0.1347 956 LEU C CB 3661 C CG . LEU C 77 ? 1.2667 1.1433 1.0142 -0.3322 0.3268 -0.1368 956 LEU C CG 3662 C CD1 . LEU C 77 ? 1.1849 1.1053 1.0394 -0.2997 0.3051 -0.0904 956 LEU C CD1 3663 C CD2 . LEU C 77 ? 1.3914 1.1850 1.1146 -0.3270 0.4117 -0.1451 956 LEU C CD2 3664 N N . TYR C 78 ? 1.1384 1.1315 0.8516 -0.3793 0.1825 -0.1595 957 TYR C N 3665 C CA . TYR C 78 ? 1.1475 1.1354 0.8231 -0.4063 0.1671 -0.1785 957 TYR C CA 3666 C C . TYR C 78 ? 1.2166 1.1518 0.8923 -0.4011 0.2009 -0.1875 957 TYR C C 3667 O O . TYR C 78 ? 1.1878 1.1143 0.9208 -0.3710 0.2217 -0.1663 957 TYR C O 3668 C CB . TYR C 78 ? 1.1052 1.1501 0.8225 -0.4005 0.1217 -0.1653 957 TYR C CB 3669 C CG . TYR C 78 ? 1.1288 1.2248 0.8571 -0.4083 0.0931 -0.1527 957 TYR C CG 3670 C CD1 . TYR C 78 ? 1.1732 1.2934 0.8754 -0.4418 0.0748 -0.1503 957 TYR C CD1 3671 C CD2 . TYR C 78 ? 1.1151 1.2388 0.8882 -0.3855 0.0830 -0.1352 957 TYR C CD2 3672 C CE1 . TYR C 78 ? 1.1510 1.3274 0.8842 -0.4483 0.0500 -0.1253 957 TYR C CE1 3673 C CE2 . TYR C 78 ? 1.1126 1.2817 0.9079 -0.3903 0.0622 -0.1193 957 TYR C CE2 3674 C CZ . TYR C 78 ? 1.2406 1.4387 1.0216 -0.4199 0.0473 -0.1118 957 TYR C CZ 3675 O OH . TYR C 78 ? 1.2859 1.5380 1.1079 -0.4246 0.0279 -0.0832 957 TYR C OH 3676 N N . GLU C 79 ? 1.2343 1.1384 0.8524 -0.4343 0.2046 -0.2116 958 GLU C N 3677 C CA . GLU C 79 ? 1.2828 1.1345 0.8951 -0.4368 0.2346 -0.2233 958 GLU C CA 3678 C C . GLU C 79 ? 1.2905 1.1876 0.9232 -0.4426 0.1904 -0.2174 958 GLU C C 3679 O O . GLU C 79 ? 1.2792 1.2161 0.8920 -0.4657 0.1540 -0.2170 958 GLU C O 3680 C CB . GLU C 79 ? 1.4179 1.1909 0.9312 -0.4827 0.2709 -0.2592 958 GLU C CB 3681 C CG . GLU C 79 ? 1.6872 1.3977 1.1402 -0.4951 0.3222 -0.2764 958 GLU C CG 3682 C CD . GLU C 79 ? 2.1856 1.8021 1.5120 -0.5563 0.3595 -0.3182 958 GLU C CD 3683 O OE1 . GLU C 79 ? 2.0544 1.6200 1.3610 -0.5719 0.3782 -0.3350 958 GLU C OE1 3684 O OE2 . GLU C 79 ? 2.3854 1.9746 1.6241 -0.5948 0.3707 -0.3342 958 GLU C OE2 3685 N N . PHE C 80 ? 1.2298 1.1222 0.9067 -0.4237 0.1967 -0.2067 959 PHE C N 3686 C CA . PHE C 80 ? 1.1956 1.1226 0.8873 -0.4289 0.1638 -0.2018 959 PHE C CA 3687 C C . PHE C 80 ? 1.2911 1.1760 0.9805 -0.4358 0.1871 -0.2084 959 PHE C C 3688 O O . PHE C 80 ? 1.3276 1.1724 1.0441 -0.4194 0.2265 -0.2011 959 PHE C O 3689 C CB . PHE C 80 ? 1.1489 1.1230 0.8954 -0.4036 0.1393 -0.1764 959 PHE C CB 3690 C CG . PHE C 80 ? 1.1224 1.1295 0.8793 -0.3941 0.1217 -0.1680 959 PHE C CG 3691 C CD1 . PHE C 80 ? 1.1220 1.1641 0.8749 -0.4015 0.0970 -0.1696 959 PHE C CD1 3692 C CD2 . PHE C 80 ? 1.1293 1.1335 0.9127 -0.3764 0.1334 -0.1519 959 PHE C CD2 3693 C CE1 . PHE C 80 ? 1.0978 1.1654 0.8666 -0.3923 0.0856 -0.1608 959 PHE C CE1 3694 C CE2 . PHE C 80 ? 1.1274 1.1606 0.9209 -0.3696 0.1162 -0.1436 959 PHE C CE2 3695 C CZ . PHE C 80 ? 1.0822 1.1444 0.8659 -0.3780 0.0924 -0.1504 959 PHE C CZ 3696 N N . SER C 81 ? 1.2388 1.1354 0.9088 -0.4580 0.1656 -0.2152 960 SER C N 3697 C CA . SER C 81 ? 1.2728 1.1368 0.9440 -0.4669 0.1807 -0.2194 960 SER C CA 3698 C C . SER C 81 ? 1.2682 1.1807 0.9538 -0.4739 0.1445 -0.2088 960 SER C C 3699 O O . SER C 81 ? 1.2428 1.2007 0.9272 -0.4804 0.1160 -0.2021 960 SER C O 3700 C CB . SER C 81 ? 1.4303 1.2177 1.0336 -0.5028 0.2142 -0.2489 960 SER C CB 3701 O OG . SER C 81 ? 1.6080 1.3913 1.1422 -0.5387 0.2019 -0.2647 960 SER C OG 3702 N N . VAL C 82 ? 1.2013 1.1069 0.9136 -0.4680 0.1508 -0.2003 961 VAL C N 3703 C CA . VAL C 82 ? 1.1608 1.1063 0.8910 -0.4708 0.1262 -0.1877 961 VAL C CA 3704 C C . VAL C 82 ? 1.2388 1.1532 0.9576 -0.4931 0.1347 -0.1936 961 VAL C C 3705 O O . VAL C 82 ? 1.2806 1.1386 0.9923 -0.4967 0.1666 -0.2042 961 VAL C O 3706 C CB . VAL C 82 ? 1.1684 1.1433 0.9386 -0.4460 0.1205 -0.1657 961 VAL C CB 3707 C CG1 . VAL C 82 ? 1.1366 1.1483 0.9101 -0.4482 0.1032 -0.1577 961 VAL C CG1 3708 C CG2 . VAL C 82 ? 1.1445 1.1289 0.9255 -0.4286 0.1197 -0.1575 961 VAL C CG2 3709 N N . MET C 83 ? 1.1653 1.1140 0.8899 -0.5068 0.1116 -0.1831 962 MET C N 3710 C CA . MET C 83 ? 1.1732 1.1065 0.8966 -0.5283 0.1113 -0.1809 962 MET C CA 3711 C C . MET C 83 ? 1.1756 1.1611 0.9417 -0.5131 0.0968 -0.1560 962 MET C C 3712 O O . MET C 83 ? 1.1144 1.1361 0.8963 -0.4936 0.0910 -0.1464 962 MET C O 3713 C CB . MET C 83 ? 1.2496 1.1671 0.9235 -0.5777 0.0965 -0.1891 962 MET C CB 3714 C CG . MET C 83 ? 1.2519 1.2383 0.9457 -0.5893 0.0614 -0.1615 962 MET C CG 3715 S SD . MET C 83 ? 1.3731 1.3577 1.0207 -0.6622 0.0302 -0.1497 962 MET C SD 3716 C CE . MET C 83 ? 1.3255 1.3140 1.0109 -0.6642 0.0285 -0.1333 962 MET C CE 3717 N N . VAL C 84 ? 1.1548 1.1352 0.9349 -0.5236 0.0973 -0.1472 963 VAL C N 3718 C CA . VAL C 84 ? 1.1174 1.1387 0.9325 -0.5132 0.0908 -0.1235 963 VAL C CA 3719 C C . VAL C 84 ? 1.1982 1.2332 1.0215 -0.5427 0.0752 -0.1085 963 VAL C C 3720 O O . VAL C 84 ? 1.2279 1.2241 1.0238 -0.5745 0.0726 -0.1202 963 VAL C O 3721 C CB . VAL C 84 ? 1.1493 1.1650 0.9857 -0.4950 0.1040 -0.1142 963 VAL C CB 3722 C CG1 . VAL C 84 ? 1.1831 1.1569 1.0298 -0.5060 0.1175 -0.1168 963 VAL C CG1 3723 C CG2 . VAL C 84 ? 1.1240 1.1769 0.9778 -0.4877 0.1022 -0.0932 963 VAL C CG2 3724 N N . THR C 85 ? 1.1450 1.2302 1.0055 -0.5351 0.0690 -0.0802 964 THR C N 3725 C CA . THR C 85 ? 1.1521 1.2694 1.0446 -0.5584 0.0529 -0.0484 964 THR C CA 3726 C C . THR C 85 ? 1.1790 1.3239 1.1142 -0.5324 0.0710 -0.0254 964 THR C C 3727 O O . THR C 85 ? 1.1566 1.3091 1.0958 -0.5038 0.0932 -0.0268 964 THR C O 3728 C CB . THR C 85 ? 1.2974 1.4590 1.2121 -0.5755 0.0333 -0.0205 964 THR C CB 3729 O OG1 . THR C 85 ? 1.4187 1.5523 1.2790 -0.6022 0.0189 -0.0442 964 THR C OG1 3730 C CG2 . THR C 85 ? 1.3086 1.5145 1.2687 -0.6079 0.0092 0.0278 964 THR C CG2 3731 N N . LYS C 86 ? 1.1557 1.3080 1.1139 -0.5469 0.0647 -0.0063 965 LYS C N 3732 C CA . LYS C 86 ? 1.1498 1.3287 1.1477 -0.5282 0.0832 0.0202 965 LYS C CA 3733 C C . LYS C 86 ? 1.2387 1.4508 1.2835 -0.5554 0.0625 0.0604 965 LYS C C 3734 O O . LYS C 86 ? 1.2441 1.4379 1.2824 -0.5782 0.0486 0.0587 965 LYS C O 3735 C CB . LYS C 86 ? 1.1696 1.3221 1.1463 -0.5167 0.0964 0.0046 965 LYS C CB 3736 C CG . LYS C 86 ? 1.1196 1.2949 1.1171 -0.5007 0.1202 0.0283 965 LYS C CG 3737 C CD . LYS C 86 ? 1.1593 1.3201 1.1383 -0.5001 0.1240 0.0244 965 LYS C CD 3738 C CE . LYS C 86 ? 1.1214 1.3034 1.1372 -0.5058 0.1258 0.0541 965 LYS C CE 3739 N NZ . LYS C 86 ? 1.2530 1.4572 1.2782 -0.4928 0.1565 0.0757 965 LYS C NZ 3740 N N . GLY C 87 ? 1.2070 1.4681 1.3052 -0.5561 0.0601 0.1016 966 GLY C N 3741 C CA . GLY C 87 ? 1.2187 1.5285 1.3780 -0.5870 0.0340 0.1576 966 GLY C CA 3742 C C . GLY C 87 ? 1.3399 1.6363 1.4567 -0.6471 -0.0149 0.1528 966 GLY C C 3743 O O . GLY C 87 ? 1.3426 1.6279 1.4200 -0.6624 -0.0281 0.1350 966 GLY C O 3744 N N . ARG C 88 ? 1.3611 1.6515 1.4764 -0.6869 -0.0397 0.1674 967 ARG C N 3745 C CA . ARG C 88 ? 1.4362 1.6946 1.4898 -0.7601 -0.0825 0.1599 967 ARG C CA 3746 C C . ARG C 88 ? 1.5419 1.7038 1.4917 -0.7675 -0.0664 0.0829 967 ARG C C 3747 O O . ARG C 88 ? 1.6235 1.7439 1.4976 -0.8240 -0.0877 0.0629 967 ARG C O 3748 C CB . ARG C 88 ? 1.4707 1.7387 1.5502 -0.7986 -0.1056 0.1940 967 ARG C CB 3749 C CG . ARG C 88 ? 1.5722 1.9409 1.7656 -0.8012 -0.1248 0.2845 967 ARG C CG 3750 C CD . ARG C 88 ? 1.6398 2.0229 1.8539 -0.8571 -0.1620 0.3268 967 ARG C CD 3751 N NE . ARG C 88 ? 1.6671 2.0231 1.8967 -0.8217 -0.1314 0.3080 967 ARG C NE 3752 C CZ . ARG C 88 ? 1.8369 2.2025 2.0948 -0.8556 -0.1533 0.3412 967 ARG C CZ 3753 N NH1 . ARG C 88 ? 1.7133 2.1139 1.9832 -0.9310 -0.2091 0.3965 967 ARG C NH1 3754 N NH2 . ARG C 88 ? 1.6151 1.9592 1.8899 -0.8198 -0.1233 0.3249 967 ARG C NH2 3755 N N . ARG C 89 ? 1.4394 1.5671 1.3880 -0.7139 -0.0262 0.0463 968 ARG C N 3756 C CA . ARG C 89 ? 1.4576 1.5038 1.3412 -0.7073 -0.0003 -0.0118 968 ARG C CA 3757 C C . ARG C 89 ? 1.4898 1.5323 1.3456 -0.6839 0.0103 -0.0360 968 ARG C C 3758 O O . ARG C 89 ? 1.4213 1.5196 1.3172 -0.6509 0.0112 -0.0154 968 ARG C O 3759 C CB . ARG C 89 ? 1.4023 1.4330 1.3172 -0.6645 0.0308 -0.0202 968 ARG C CB 3760 C CG . ARG C 89 ? 1.4795 1.5008 1.4197 -0.6849 0.0267 -0.0028 968 ARG C CG 3761 C CD . ARG C 89 ? 1.5014 1.5126 1.4758 -0.6451 0.0560 -0.0052 968 ARG C CD 3762 N NE . ARG C 89 ? 1.6204 1.5536 1.5661 -0.6454 0.0850 -0.0408 968 ARG C NE 3763 C CZ . ARG C 89 ? 1.7063 1.6353 1.6802 -0.6073 0.1109 -0.0411 968 ARG C CZ 3764 N NH1 . ARG C 89 ? 1.4379 1.4302 1.4458 -0.5744 0.1065 -0.0154 968 ARG C NH1 3765 N NH2 . ARG C 89 ? 1.5516 1.4104 1.5189 -0.6062 0.1445 -0.0628 968 ARG C NH2 3766 N N . SER C 90 ? 1.5079 1.4763 1.2958 -0.7006 0.0257 -0.0801 969 SER C N 3767 C CA . SER C 90 ? 1.4869 1.4410 1.2448 -0.6805 0.0392 -0.1057 969 SER C CA 3768 C C . SER C 90 ? 1.5743 1.4352 1.2835 -0.6813 0.0782 -0.1500 969 SER C C 3769 O O . SER C 90 ? 1.6450 1.4422 1.3296 -0.7100 0.0944 -0.1644 969 SER C O 3770 C CB . SER C 90 ? 1.5470 1.5331 1.2774 -0.7170 0.0071 -0.0921 969 SER C CB 3771 O OG . SER C 90 ? 1.7463 1.6633 1.3840 -0.7726 0.0064 -0.1237 969 SER C OG 3772 N N . SER C 91 ? 1.4844 1.3356 1.1892 -0.6477 0.0990 -0.1671 970 SER C N 3773 C CA . SER C 91 ? 1.5226 1.2931 1.2028 -0.6388 0.1450 -0.1981 970 SER C CA 3774 C C . SER C 91 ? 1.6355 1.3626 1.2368 -0.6696 0.1509 -0.2272 970 SER C C 3775 O O . SER C 91 ? 1.6348 1.4085 1.2107 -0.6955 0.1119 -0.2169 970 SER C O 3776 C CB . SER C 91 ? 1.4837 1.2846 1.2276 -0.5803 0.1617 -0.1834 970 SER C CB 3777 O OG . SER C 91 ? 1.5895 1.4199 1.3244 -0.5621 0.1531 -0.1863 970 SER C OG 3778 N N . THR C 92 ? 1.6278 1.2674 1.1982 -0.6660 0.2041 -0.2575 971 THR C N 3779 C CA . THR C 92 ? 1.6670 1.2593 1.1592 -0.6903 0.2199 -0.2866 971 THR C CA 3780 C C . THR C 92 ? 1.5922 1.2454 1.1371 -0.6359 0.2149 -0.2711 971 THR C C 3781 O O . THR C 92 ? 1.4863 1.2090 1.1110 -0.5913 0.1975 -0.2415 971 THR C O 3782 C CB . THR C 92 ? 1.8405 1.2978 1.2696 -0.7135 0.2921 -0.3272 971 THR C CB 3783 O OG1 . THR C 92 ? 1.7716 1.2046 1.2894 -0.6615 0.3416 -0.3141 971 THR C OG1 3784 C CG2 . THR C 92 ? 1.9527 1.3333 1.2804 -0.7932 0.2911 -0.3538 971 THR C CG2 3785 N N . TRP C 93 ? 1.5840 1.2069 1.0755 -0.6460 0.2301 -0.2913 972 TRP C N 3786 C CA . TRP C 93 ? 1.5000 1.1721 1.0370 -0.5994 0.2273 -0.2774 972 TRP C CA 3787 C C . TRP C 93 ? 1.5878 1.2226 1.1854 -0.5533 0.2806 -0.2707 972 TRP C C 3788 O O . TRP C 93 ? 1.6865 1.2287 1.2649 -0.5622 0.3395 -0.2895 972 TRP C O 3789 C CB . TRP C 93 ? 1.5064 1.1687 0.9714 -0.6280 0.2211 -0.2945 972 TRP C CB 3790 C CG . TRP C 93 ? 1.4913 1.2171 0.9277 -0.6702 0.1609 -0.2794 972 TRP C CG 3791 C CD1 . TRP C 93 ? 1.6141 1.3110 0.9649 -0.7429 0.1424 -0.2887 972 TRP C CD1 3792 C CD2 . TRP C 93 ? 1.3812 1.2106 0.8845 -0.6455 0.1142 -0.2434 972 TRP C CD2 3793 N NE1 . TRP C 93 ? 1.5522 1.3430 0.9290 -0.7631 0.0819 -0.2499 972 TRP C NE1 3794 C CE2 . TRP C 93 ? 1.4495 1.3180 0.9240 -0.6994 0.0704 -0.2236 972 TRP C CE2 3795 C CE3 . TRP C 93 ? 1.2930 1.1801 0.8747 -0.5883 0.1086 -0.2237 972 TRP C CE3 3796 C CZ2 . TRP C 93 ? 1.3621 1.3269 0.9040 -0.6876 0.0304 -0.1802 972 TRP C CZ2 3797 C CZ3 . TRP C 93 ? 1.2492 1.2146 0.8751 -0.5807 0.0735 -0.1937 972 TRP C CZ3 3798 C CH2 . TRP C 93 ? 1.2776 1.2823 0.8936 -0.6247 0.0393 -0.1702 972 TRP C CH2 3799 N N . SER C 94 ? 1.4571 1.1625 1.1317 -0.5080 0.2617 -0.2381 973 SER C N 3800 C CA . SER C 94 ? 1.4421 1.1439 1.1972 -0.4662 0.2957 -0.2093 973 SER C CA 3801 C C . SER C 94 ? 1.5868 1.2310 1.3311 -0.4560 0.3474 -0.2197 973 SER C C 3802 O O . SER C 94 ? 1.6285 1.2329 1.2877 -0.4846 0.3550 -0.2554 973 SER C O 3803 C CB . SER C 94 ? 1.3616 1.1546 1.1722 -0.4394 0.2504 -0.1730 973 SER C CB 3804 O OG . SER C 94 ? 1.3457 1.1671 1.1327 -0.4349 0.2305 -0.1791 973 SER C OG 3805 N N . MET C 95 ? 1.5633 1.2131 1.4002 -0.4169 0.3796 -0.1796 974 MET C N 3806 C CA . MET C 95 ? 1.6179 1.2275 1.4693 -0.3977 0.4302 -0.1758 974 MET C CA 3807 C C . MET C 95 ? 1.6231 1.2914 1.4415 -0.3977 0.3823 -0.1804 974 MET C C 3808 O O . MET C 95 ? 1.5447 1.2881 1.3599 -0.4023 0.3177 -0.1732 974 MET C O 3809 C CB . MET C 95 ? 1.6335 1.2599 1.6168 -0.3561 0.4651 -0.1122 974 MET C CB 3810 C CG . MET C 95 ? 1.7921 1.3101 1.7958 -0.3434 0.5675 -0.1178 974 MET C CG 3811 S SD . MET C 95 ? 1.8406 1.3773 2.0006 -0.2895 0.6233 -0.0369 974 MET C SD 3812 C CE . MET C 95 ? 1.7608 1.3385 1.8614 -0.2896 0.5854 -0.0530 974 MET C CE 3813 N N . THR C 96 ? 1.6427 1.2690 1.4276 -0.3964 0.4187 -0.1965 975 THR C N 3814 C CA . THR C 96 ? 1.5947 1.2752 1.3515 -0.3975 0.3752 -0.1996 975 THR C CA 3815 C C . THR C 96 ? 1.5719 1.3109 1.4217 -0.3591 0.3649 -0.1488 975 THR C C 3816 O O . THR C 96 ? 1.6028 1.3152 1.5248 -0.3318 0.4177 -0.1157 975 THR C O 3817 C CB . THR C 96 ? 1.7902 1.4068 1.4460 -0.4273 0.4057 -0.2429 975 THR C CB 3818 O OG1 . THR C 96 ? 1.8519 1.3822 1.5225 -0.4110 0.4926 -0.2432 975 THR C OG1 3819 C CG2 . THR C 96 ? 1.8435 1.4232 1.3920 -0.4839 0.3898 -0.2859 975 THR C CG2 3820 N N . ALA C 97 ? 1.4311 1.2473 1.2817 -0.3601 0.2995 -0.1388 976 ALA C N 3821 C CA . ALA C 97 ? 1.3627 1.2363 1.2773 -0.3382 0.2754 -0.0952 976 ALA C CA 3822 C C . ALA C 97 ? 1.4118 1.2881 1.2824 -0.3406 0.2704 -0.1156 976 ALA C C 3823 O O . ALA C 97 ? 1.4253 1.2905 1.2197 -0.3645 0.2581 -0.1556 976 ALA C O 3824 C CB . ALA C 97 ? 1.3066 1.2445 1.2310 -0.3468 0.2142 -0.0782 976 ALA C CB 3825 N N . HIS C 98 ? 1.3563 1.2501 1.2816 -0.3184 0.2807 -0.0807 977 HIS C N 3826 C CA . HIS C 98 ? 1.3453 1.2469 1.2407 -0.3176 0.2768 -0.0925 977 HIS C CA 3827 C C . HIS C 98 ? 1.2721 1.2419 1.2126 -0.3098 0.2261 -0.0570 977 HIS C C 3828 O O . HIS C 98 ? 1.2270 1.2282 1.2376 -0.3016 0.2119 -0.0082 977 HIS C O 3829 C CB . HIS C 98 ? 1.4309 1.2771 1.3407 -0.3008 0.3470 -0.0867 977 HIS C CB 3830 C CG . HIS C 98 ? 1.5874 1.3450 1.4180 -0.3216 0.4028 -0.1344 977 HIS C CG 3831 N ND1 . HIS C 98 ? 1.6689 1.3728 1.5247 -0.3171 0.4497 -0.1319 977 HIS C ND1 3832 C CD2 . HIS C 98 ? 1.6851 1.3979 1.4076 -0.3545 0.4163 -0.1825 977 HIS C CD2 3833 C CE1 . HIS C 98 ? 1.7671 1.3842 1.5210 -0.3483 0.4943 -0.1848 977 HIS C CE1 3834 N NE2 . HIS C 98 ? 1.7875 1.4084 1.4534 -0.3758 0.4733 -0.2154 977 HIS C NE2 3835 N N . GLY C 99 ? 1.1655 1.1574 1.0634 -0.3191 0.1973 -0.0785 978 GLY C N 3836 C CA . GLY C 99 ? 1.0854 1.1278 1.0085 -0.3180 0.1529 -0.0554 978 GLY C CA 3837 C C . GLY C 99 ? 1.0606 1.1146 0.9568 -0.3187 0.1462 -0.0713 978 GLY C C 3838 O O . GLY C 99 ? 1.0613 1.1076 0.9036 -0.3338 0.1453 -0.1048 978 GLY C O 3839 N N . ALA C 100 ? 0.9689 1.0469 0.9096 -0.3056 0.1397 -0.0387 979 ALA C N 3840 C CA . ALA C 100 ? 0.9475 1.0439 0.8767 -0.3041 0.1312 -0.0443 979 ALA C CA 3841 C C . ALA C 100 ? 0.9702 1.1023 0.9134 -0.3118 0.0848 -0.0331 979 ALA C C 3842 O O . ALA C 100 ? 0.9700 1.1149 0.9480 -0.3151 0.0649 -0.0004 979 ALA C O 3843 C CB . ALA C 100 ? 0.9652 1.0544 0.9326 -0.2836 0.1667 -0.0168 979 ALA C CB 3844 N N . THR C 101 ? 0.9007 1.0454 0.8160 -0.3207 0.0690 -0.0565 980 THR C N 3845 C CA . THR C 101 ? 0.8788 1.0395 0.8029 -0.3283 0.0398 -0.0522 980 THR C CA 3846 C C . THR C 101 ? 0.9193 1.0993 0.8819 -0.3206 0.0293 -0.0211 980 THR C C 3847 O O . THR C 101 ? 0.9357 1.1248 0.9176 -0.3053 0.0475 -0.0079 980 THR C O 3848 C CB . THR C 101 ? 0.9282 1.1008 0.8394 -0.3331 0.0373 -0.0723 980 THR C CB 3849 O OG1 . THR C 101 ? 0.9148 1.1057 0.8242 -0.3298 0.0473 -0.0704 980 THR C OG1 3850 C CG2 . THR C 101 ? 0.8652 1.0250 0.7516 -0.3434 0.0414 -0.0933 980 THR C CG2 3851 N N . PHE C 102 ? 0.8279 1.0076 0.7943 -0.3355 0.0032 -0.0106 981 PHE C N 3852 C CA . PHE C 102 ? 0.7964 0.9947 0.7984 -0.3354 -0.0138 0.0220 981 PHE C CA 3853 C C . PHE C 102 ? 0.8328 1.0515 0.8513 -0.3202 -0.0066 0.0163 981 PHE C C 3854 O O . PHE C 102 ? 0.8200 1.0402 0.8216 -0.3177 0.0042 -0.0095 981 PHE C O 3855 C CB . PHE C 102 ? 0.8234 1.0019 0.8016 -0.3694 -0.0436 0.0271 981 PHE C CB 3856 C CG . PHE C 102 ? 0.8504 1.0170 0.8073 -0.3981 -0.0616 0.0447 981 PHE C CG 3857 C CD1 . PHE C 102 ? 0.8727 1.0617 0.8706 -0.3858 -0.0559 0.0785 981 PHE C CD1 3858 C CD2 . PHE C 102 ? 0.9107 1.0404 0.8068 -0.4420 -0.0810 0.0327 981 PHE C CD2 3859 C CE1 . PHE C 102 ? 0.9222 1.1129 0.9150 -0.4155 -0.0775 0.1086 981 PHE C CE1 3860 C CE2 . PHE C 102 ? 0.9799 1.1046 0.8486 -0.4792 -0.1041 0.0562 981 PHE C CE2 3861 C CZ . PHE C 102 ? 0.9453 1.1085 0.8695 -0.4652 -0.1065 0.0984 981 PHE C CZ 3862 N N . GLU C 103 ? 0.7731 1.0150 0.8330 -0.3124 -0.0151 0.0494 982 GLU C N 3863 C CA . GLU C 103 ? 0.7410 1.0074 0.8214 -0.3014 -0.0130 0.0511 982 GLU C CA 3864 C C . GLU C 103 ? 0.8212 1.0730 0.8962 -0.3177 -0.0287 0.0378 982 GLU C C 3865 O O . GLU C 103 ? 0.8406 1.0564 0.8853 -0.3407 -0.0393 0.0276 982 GLU C O 3866 C CB . GLU C 103 ? 0.7451 1.0391 0.8759 -0.2881 -0.0156 0.0939 982 GLU C CB 3867 C CG . GLU C 103 ? 0.8177 1.1149 0.9612 -0.2671 0.0193 0.1089 982 GLU C CG 3868 C CD . GLU C 103 ? 1.2514 1.5761 1.4482 -0.2489 0.0291 0.1507 982 GLU C CD 3869 O OE1 . GLU C 103 ? 1.1151 1.4640 1.3455 -0.2543 -0.0013 0.1733 982 GLU C OE1 3870 O OE2 . GLU C 103 ? 1.3590 1.6744 1.5606 -0.2303 0.0731 0.1591 982 GLU C OE2 3871 N N . LEU C 104 ? 0.7464 1.0349 0.6377 -0.1878 -0.0355 0.1394 983 LEU C N 3872 C CA . LEU C 104 ? 0.7461 1.0583 0.6455 -0.1789 -0.0261 0.1421 983 LEU C CA 3873 C C . LEU C 104 ? 0.8107 1.1705 0.7588 -0.1474 -0.0326 0.1533 983 LEU C C 3874 O O . LEU C 104 ? 0.8004 1.1907 0.7704 -0.1397 -0.0370 0.1524 983 LEU C O 3875 C CB . LEU C 104 ? 0.7459 1.1072 0.6514 -0.1941 -0.0004 0.1262 983 LEU C CB 3876 C CG . LEU C 104 ? 0.7886 1.1804 0.7145 -0.1815 0.0192 0.1274 983 LEU C CG 3877 C CD1 . LEU C 104 ? 0.7924 1.1132 0.6652 -0.1981 0.0306 0.1241 983 LEU C CD1 3878 C CD2 . LEU C 104 ? 0.8397 1.3143 0.8068 -0.1852 0.0390 0.1178 983 LEU C CD2 3879 N N . VAL C 105 ? 0.7854 1.1450 0.7449 -0.1316 -0.0301 0.1628 984 VAL C N 3880 C CA . VAL C 105 ? 0.7532 1.1544 0.7571 -0.1025 -0.0321 0.1764 984 VAL C CA 3881 C C . VAL C 105 ? 0.7768 1.2598 0.8134 -0.0940 -0.0222 0.1739 984 VAL C C 3882 O O . VAL C 105 ? 0.7664 1.2802 0.8024 -0.1075 -0.0092 0.1623 984 VAL C O 3883 C CB . VAL C 105 ? 0.8119 1.1942 0.8202 -0.0904 -0.0231 0.1839 984 VAL C CB 3884 C CG1 . VAL C 105 ? 0.8293 1.1416 0.8101 -0.0994 -0.0414 0.1898 984 VAL C CG1 3885 C CG2 . VAL C 105 ? 0.8323 1.2207 0.8308 -0.0978 0.0034 0.1719 984 VAL C CG2 3886 N N . PRO C 106 ? 0.7179 1.2404 0.7827 -0.0743 -0.0284 0.1859 985 PRO C N 3887 C CA . PRO C 106 ? 0.6878 1.2913 0.7763 -0.0689 -0.0249 0.1876 985 PRO C CA 3888 C C . PRO C 106 ? 0.7237 1.3672 0.8408 -0.0578 -0.0113 0.1944 985 PRO C C 3889 O O . PRO C 106 ? 0.7384 1.3474 0.8622 -0.0433 -0.0017 0.2028 985 PRO C O 3890 C CB . PRO C 106 ? 0.6937 1.3162 0.7988 -0.0471 -0.0317 0.2054 985 PRO C CB 3891 C CG . PRO C 106 ? 0.7561 1.3133 0.8491 -0.0485 -0.0380 0.2049 985 PRO C CG 3892 C CD . PRO C 106 ? 0.7323 1.2323 0.8091 -0.0581 -0.0386 0.2005 985 PRO C CD 3893 N N . THR C 107 ? 0.6565 1.3682 0.7916 -0.0677 -0.0082 0.1884 986 THR C N 3894 C CA . THR C 107 ? 0.6449 1.4032 0.8227 -0.0538 0.0078 0.1968 986 THR C CA 3895 C C . THR C 107 ? 0.6831 1.5355 0.9083 -0.0329 -0.0024 0.2197 986 THR C C 3896 O O . THR C 107 ? 0.7117 1.6246 0.9870 -0.0204 0.0074 0.2300 986 THR C O 3897 C CB . THR C 107 ? 0.7318 1.4908 0.9029 -0.0823 0.0244 0.1745 986 THR C CB 3898 O OG1 . THR C 107 ? 0.6515 1.4478 0.8105 -0.1125 0.0124 0.1592 986 THR C OG1 3899 C CG2 . THR C 107 ? 0.7903 1.4499 0.9096 -0.0986 0.0361 0.1597 986 THR C CG2 3900 N N . SER C 108 ? 0.6163 1.4819 0.8266 -0.0285 -0.0212 0.2299 987 SER C N 3901 C CA . SER C 108 ? 0.6072 1.5564 0.8447 -0.0126 -0.0368 0.2553 987 SER C CA 3902 C C . SER C 108 ? 0.6815 1.6000 0.9005 0.0069 -0.0429 0.2746 987 SER C C 3903 O O . SER C 108 ? 0.6881 1.5349 0.8731 -0.0017 -0.0392 0.2605 987 SER C O 3904 C CB . SER C 108 ? 0.6331 1.6494 0.8578 -0.0459 -0.0535 0.2396 987 SER C CB 3905 O OG . SER C 108 ? 0.7214 1.7353 0.9000 -0.0606 -0.0676 0.2336 987 SER C OG 3906 N N . PRO C 109 ? 0.6437 1.6126 0.8888 0.0345 -0.0507 0.3102 988 PRO C N 3907 C CA . PRO C 109 ? 0.6616 1.5965 0.8869 0.0501 -0.0514 0.3292 988 PRO C CA 3908 C C . PRO C 109 ? 0.7441 1.6994 0.9223 0.0285 -0.0642 0.3210 988 PRO C C 3909 O O . PRO C 109 ? 0.7499 1.7658 0.9147 0.0054 -0.0787 0.3099 988 PRO C O 3910 C CB . PRO C 109 ? 0.6849 1.6631 0.9535 0.0872 -0.0527 0.3737 988 PRO C CB 3911 C CG . PRO C 109 ? 0.7134 1.7782 1.0181 0.0861 -0.0643 0.3798 988 PRO C CG 3912 C CD . PRO C 109 ? 0.6376 1.6973 0.9341 0.0530 -0.0596 0.3384 988 PRO C CD 3913 N N . PRO C 110 ? 0.7080 1.6191 0.8621 0.0344 -0.0572 0.3275 989 PRO C N 3914 C CA . PRO C 110 ? 0.7321 1.6641 0.8386 0.0159 -0.0623 0.3212 989 PRO C CA 3915 C C . PRO C 110 ? 0.7901 1.8101 0.8932 0.0199 -0.0827 0.3502 989 PRO C C 3916 O O . PRO C 110 ? 0.7597 1.8057 0.8991 0.0508 -0.0872 0.3900 989 PRO C O 3917 C CB . PRO C 110 ? 0.7585 1.6362 0.8584 0.0302 -0.0461 0.3337 989 PRO C CB 3918 C CG . PRO C 110 ? 0.8032 1.6211 0.9398 0.0441 -0.0366 0.3328 989 PRO C CG 3919 C CD . PRO C 110 ? 0.7294 1.5754 0.8993 0.0555 -0.0427 0.3415 989 PRO C CD 3920 N N . LYS C 111 ? 0.7686 1.8335 0.8304 -0.0129 -0.0963 0.3302 990 LYS C N 3921 C CA . LYS C 111 ? 0.7928 1.9494 0.8411 -0.0210 -0.1237 0.3527 990 LYS C CA 3922 C C . LYS C 111 ? 0.9256 2.0877 0.9227 -0.0166 -0.1254 0.3794 990 LYS C C 3923 O O . LYS C 111 ? 0.9297 2.0260 0.8946 -0.0176 -0.1009 0.3674 990 LYS C O 3924 C CB . LYS C 111 ? 0.8135 2.0041 0.8238 -0.0691 -0.1359 0.3123 990 LYS C CB 3925 C CG . LYS C 111 ? 0.7730 1.9833 0.8289 -0.0813 -0.1391 0.2914 990 LYS C CG 3926 C CD . LYS C 111 ? 0.8868 2.0901 0.8943 -0.1331 -0.1389 0.2422 990 LYS C CD 3927 C CE . LYS C 111 ? 1.1461 2.4460 1.1313 -0.1689 -0.1704 0.2412 990 LYS C CE 3928 N NZ . LYS C 111 ? 1.3681 2.7572 1.4284 -0.1645 -0.1911 0.2599 990 LYS C NZ 3929 N N . ASP C 112 ? 0.9346 2.1803 0.9246 -0.0143 -0.1551 0.4164 991 ASP C N 3930 C CA . ASP C 112 ? 1.0098 2.2793 0.9375 -0.0184 -0.1651 0.4458 991 ASP C CA 3931 C C . ASP C 112 ? 1.0638 2.2642 0.9771 0.0069 -0.1363 0.4681 991 ASP C C 3932 O O . ASP C 112 ? 1.1181 2.2976 0.9582 -0.0123 -0.1237 0.4620 991 ASP C O 3933 C CB . ASP C 112 ? 1.1060 2.3969 0.9455 -0.0727 -0.1741 0.4070 991 ASP C CB 3934 C CG . ASP C 112 ? 1.2785 2.6291 1.1294 -0.1077 -0.1988 0.3763 991 ASP C CG 3935 O OD1 . ASP C 112 ? 1.2665 2.7056 1.1704 -0.0976 -0.2329 0.4086 991 ASP C OD1 3936 O OD2 . ASP C 112 ? 1.3792 2.6897 1.1889 -0.1458 -0.1829 0.3217 991 ASP C OD2 3937 N N . VAL C 113 ? 0.9744 2.1407 0.9563 0.0476 -0.1239 0.4943 992 VAL C N 3938 C CA . VAL C 113 ? 0.9970 2.0990 0.9776 0.0706 -0.0968 0.5181 992 VAL C CA 3939 C C . VAL C 113 ? 1.1087 2.2462 1.0477 0.0800 -0.1089 0.5719 992 VAL C C 3940 O O . VAL C 113 ? 1.1116 2.3139 1.0746 0.0980 -0.1386 0.6141 992 VAL C O 3941 C CB . VAL C 113 ? 1.0088 2.0609 1.0673 0.1058 -0.0810 0.5300 992 VAL C CB 3942 C CG1 . VAL C 113 ? 1.0203 2.0057 1.0781 0.1224 -0.0532 0.5521 992 VAL C CG1 3943 C CG2 . VAL C 113 ? 0.9521 1.9674 1.0399 0.0933 -0.0717 0.4803 992 VAL C CG2 3944 N N . THR C 114 ? 1.1250 2.2217 1.0033 0.0676 -0.0849 0.5718 993 THR C N 3945 C CA . THR C 114 ? 1.2148 2.3290 1.0364 0.0716 -0.0888 0.6220 993 THR C CA 3946 C C . THR C 114 ? 1.2958 2.3328 1.1122 0.0812 -0.0459 0.6316 993 THR C C 3947 O O . THR C 114 ? 1.2596 2.2425 1.0905 0.0705 -0.0153 0.5882 993 THR C O 3948 C CB . THR C 114 ? 1.3675 2.5295 1.0875 0.0290 -0.1055 0.6081 993 THR C CB 3949 O OG1 . THR C 114 ? 1.3594 2.4708 1.0339 -0.0033 -0.0709 0.5492 993 THR C OG1 3950 C CG2 . THR C 114 ? 1.3326 2.5843 1.0566 0.0140 -0.1539 0.6058 993 THR C CG2 3951 N N . VAL C 115 ? 1.3112 2.3457 1.1110 0.1008 -0.0445 0.6910 994 VAL C N 3952 C CA . VAL C 115 ? 1.3383 2.3055 1.1316 0.1075 -0.0036 0.7091 994 VAL C CA 3953 C C . VAL C 115 ? 1.5189 2.5026 1.2161 0.0936 -0.0015 0.7494 994 VAL C C 3954 O O . VAL C 115 ? 1.5757 2.6104 1.2463 0.1045 -0.0367 0.8009 994 VAL C O 3955 C CB . VAL C 115 ? 1.3518 2.2728 1.2289 0.1465 0.0071 0.7436 994 VAL C CB 3956 C CG1 . VAL C 115 ? 1.3718 2.2230 1.2475 0.1444 0.0513 0.7531 994 VAL C CG1 3957 C CG2 . VAL C 115 ? 1.2577 2.1641 1.2155 0.1572 0.0024 0.7062 994 VAL C CG2 3958 N N . VAL C 116 ? 1.5100 2.4519 1.1561 0.0693 0.0403 0.7276 995 VAL C N 3959 C CA . VAL C 116 ? 1.6181 2.5615 1.1620 0.0503 0.0542 0.7592 995 VAL C CA 3960 C C . VAL C 116 ? 1.6901 2.5636 1.2504 0.0542 0.1092 0.7691 995 VAL C C 3961 O O . VAL C 116 ? 1.6227 2.4553 1.2596 0.0593 0.1361 0.7335 995 VAL C O 3962 C CB . VAL C 116 ? 1.7249 2.6964 1.1638 0.0042 0.0552 0.7147 995 VAL C CB 3963 C CG1 . VAL C 116 ? 1.7192 2.7674 1.1369 -0.0062 -0.0032 0.7109 995 VAL C CG1 3964 C CG2 . VAL C 116 ? 1.6800 2.6076 1.1375 -0.0155 0.0995 0.6420 995 VAL C CG2 3965 N N . SER C 117 ? 1.7420 2.6038 1.2302 0.0488 0.1251 0.8181 996 SER C N 3966 C CA . SER C 117 ? 1.7655 2.5651 1.2640 0.0457 0.1820 0.8270 996 SER C CA 3967 C C . SER C 117 ? 1.8304 2.6199 1.2659 0.0074 0.2261 0.7735 996 SER C C 3968 O O . SER C 117 ? 1.8815 2.7045 1.2171 -0.0200 0.2139 0.7576 996 SER C O 3969 C CB . SER C 117 ? 1.9279 2.7122 1.3744 0.0555 0.1853 0.9049 996 SER C CB 3970 O OG . SER C 117 ? 2.0297 2.7651 1.5662 0.0854 0.1989 0.9380 996 SER C OG 3971 N N . LYS C 118 ? 1.7352 2.4805 1.2355 0.0047 0.2764 0.7425 997 LYS C N 3972 C CA . LYS C 118 ? 1.7593 2.4893 1.2220 -0.0253 0.3292 0.6927 997 LYS C CA 3973 C C . LYS C 118 ? 1.9506 2.6676 1.2974 -0.0488 0.3665 0.7263 997 LYS C C 3974 O O . LYS C 118 ? 1.9823 2.6792 1.3264 -0.0379 0.3735 0.7858 997 LYS C O 3975 C CB . LYS C 118 ? 1.6938 2.3893 1.2749 -0.0174 0.3690 0.6610 997 LYS C CB 3976 C CG . LYS C 118 ? 1.7241 2.4095 1.2964 -0.0400 0.4208 0.6026 997 LYS C CG 3977 C CD . LYS C 118 ? 1.7105 2.3687 1.3968 -0.0332 0.4660 0.5915 997 LYS C CD 3978 C CE . LYS C 118 ? 1.7401 2.3905 1.4366 -0.0488 0.5209 0.5370 997 LYS C CE 3979 N NZ . LYS C 118 ? 1.6796 2.3193 1.5156 -0.0372 0.5486 0.5252 997 LYS C NZ 3980 N N . GLU C 119 ? 1.9846 2.7080 1.2293 -0.0830 0.3913 0.6877 998 GLU C N 3981 C CA . GLU C 119 ? 2.1232 2.8321 1.2362 -0.1138 0.4311 0.7076 998 GLU C CA 3982 C C . GLU C 119 ? 2.1945 2.8576 1.3496 -0.1115 0.4979 0.7302 998 GLU C C 3983 O O . GLU C 119 ? 2.1395 2.7822 1.3852 -0.1096 0.5457 0.6882 998 GLU C O 3984 C CB . GLU C 119 ? 2.2058 2.9152 1.2231 -0.1526 0.4604 0.6419 998 GLU C CB 3985 C CG . GLU C 119 ? 2.4853 3.1969 1.3234 -0.1918 0.4694 0.6615 998 GLU C CG 3986 C CD . GLU C 119 ? 2.7151 3.4788 1.4738 -0.1949 0.3870 0.7069 998 GLU C CD 3987 O OE1 . GLU C 119 ? 2.6527 3.4544 1.4020 -0.2043 0.3412 0.6710 998 GLU C OE1 3988 O OE2 . GLU C 119 ? 2.5040 3.2719 1.2130 -0.1884 0.3686 0.7807 998 GLU C OE2 3989 N N . GLY C 120 ? 2.2127 2.8631 1.3116 -0.1101 0.4964 0.8003 999 GLY C N 3990 C CA . GLY C 120 ? 2.2403 2.8468 1.3657 -0.1120 0.5565 0.8331 999 GLY C CA 3991 C C . GLY C 120 ? 2.1448 2.7308 1.4325 -0.0835 0.5615 0.8406 999 GLY C C 3992 O O . GLY C 120 ? 2.1614 2.7137 1.4884 -0.0905 0.6169 0.8566 999 GLY C O 3993 N N . LYS C 121 ? 1.9682 2.5738 1.3489 -0.0554 0.5058 0.8272 1000 LYS C N 3994 C CA . LYS C 121 ? 1.8517 2.4367 1.3773 -0.0322 0.5027 0.8293 1000 LYS C CA 3995 C C . LYS C 121 ? 1.8698 2.4588 1.4219 -0.0004 0.4381 0.8717 1000 LYS C C 3996 O O . LYS C 121 ? 1.7634 2.3809 1.3525 0.0147 0.3916 0.8441 1000 LYS C O 3997 C CB . LYS C 121 ? 1.7488 2.3457 1.3766 -0.0316 0.5118 0.7595 1000 LYS C CB 3998 C CG . LYS C 121 ? 1.8124 2.4020 1.4533 -0.0550 0.5837 0.7204 1000 LYS C CG 3999 C CD . LYS C 121 ? 1.9049 2.4661 1.6222 -0.0608 0.6350 0.7455 1000 LYS C CD 4000 C CE . LYS C 121 ? 2.0267 2.5891 1.7651 -0.0821 0.7107 0.7092 1000 LYS C CE 4001 N NZ . LYS C 121 ? 2.0865 2.6257 1.8728 -0.0951 0.7659 0.7425 1000 LYS C NZ 4002 N N . PRO C 122 ? 1.9254 2.4838 1.4560 0.0103 0.4381 0.9406 1001 PRO C N 4003 C CA . PRO C 122 ? 1.9064 2.4657 1.4642 0.0449 0.3825 0.9842 1001 PRO C CA 4004 C C . PRO C 122 ? 1.8457 2.3862 1.5346 0.0673 0.3659 0.9609 1001 PRO C C 4005 O O . PRO C 122 ? 1.7931 2.3528 1.5097 0.0936 0.3171 0.9659 1001 PRO C O 4006 C CB . PRO C 122 ? 2.0443 2.5623 1.5487 0.0490 0.3997 1.0633 1001 PRO C CB 4007 C CG . PRO C 122 ? 2.1449 2.6276 1.6417 0.0182 0.4694 1.0546 1001 PRO C CG 4008 C CD . PRO C 122 ? 2.0597 2.5789 1.5358 -0.0081 0.4914 0.9845 1001 PRO C CD 4009 N N . ARG C 123 ? 1.7614 2.2677 1.5306 0.0542 0.4068 0.9347 1002 ARG C N 4010 C CA . ARG C 123 ? 1.6581 2.1416 1.5442 0.0657 0.3948 0.9089 1002 ARG C CA 4011 C C . ARG C 123 ? 1.6060 2.1295 1.5342 0.0655 0.3681 0.8429 1002 ARG C C 4012 O O . ARG C 123 ? 1.5201 2.0297 1.5318 0.0737 0.3504 0.8187 1002 ARG C O 4013 C CB . ARG C 123 ? 1.6544 2.0933 1.6091 0.0457 0.4441 0.9091 1002 ARG C CB 4014 C CG . ARG C 123 ? 1.7110 2.0946 1.6414 0.0467 0.4697 0.9752 1002 ARG C CG 4015 C CD . ARG C 123 ? 1.6572 1.9938 1.6762 0.0271 0.5072 0.9721 1002 ARG C CD 4016 N NE . ARG C 123 ? 1.8092 2.1159 1.9077 0.0412 0.4764 0.9586 1002 ARG C NE 4017 C CZ . ARG C 123 ? 2.0628 2.3531 2.2555 0.0224 0.4845 0.9248 1002 ARG C CZ 4018 N NH1 . ARG C 123 ? 1.9283 2.2349 2.1644 -0.0087 0.5231 0.9048 1002 ARG C NH1 4019 N NH2 . ARG C 123 ? 1.9320 2.1915 2.1771 0.0330 0.4546 0.9108 1002 ARG C NH2 4020 N N . THR C 124 ? 1.5712 2.1387 1.4330 0.0538 0.3660 0.8148 1003 THR C N 4021 C CA . THR C 124 ? 1.4807 2.0826 1.3643 0.0509 0.3452 0.7548 1003 THR C CA 4022 C C . THR C 124 ? 1.4925 2.1364 1.3103 0.0609 0.2967 0.7569 1003 THR C C 4023 O O . THR C 124 ? 1.5494 2.2124 1.2735 0.0561 0.2911 0.7891 1003 THR C O 4024 C CB . THR C 124 ? 1.6139 2.2257 1.4827 0.0254 0.3910 0.7135 1003 THR C CB 4025 O OG1 . THR C 124 ? 1.6659 2.2486 1.5838 0.0139 0.4411 0.7254 1003 THR C OG1 4026 C CG2 . THR C 124 ? 1.5015 2.1311 1.4243 0.0244 0.3791 0.6534 1003 THR C CG2 4027 N N . ILE C 125 ? 1.3693 2.0296 1.2372 0.0719 0.2609 0.7232 1004 ILE C N 4028 C CA . ILE C 125 ? 1.3608 2.0677 1.1885 0.0783 0.2146 0.7160 1004 ILE C CA 4029 C C . ILE C 125 ? 1.3440 2.0689 1.1858 0.0637 0.2094 0.6506 1004 ILE C C 4030 O O . ILE C 125 ? 1.2797 1.9790 1.1897 0.0605 0.2285 0.6174 1004 ILE C O 4031 C CB . ILE C 125 ? 1.3700 2.0809 1.2401 0.1097 0.1741 0.7494 1004 ILE C CB 4032 C CG1 . ILE C 125 ? 1.2831 1.9636 1.2501 0.1206 0.1689 0.7195 1004 ILE C CG1 4033 C CG2 . ILE C 125 ? 1.4481 2.1385 1.2989 0.1278 0.1782 0.8196 1004 ILE C CG2 4034 C CD1 . ILE C 125 ? 1.2768 1.9869 1.2605 0.1179 0.1411 0.6738 1004 ILE C CD1 4035 N N . ILE C 126 ? 1.3023 2.0717 1.0833 0.0545 0.1803 0.6352 1005 ILE C N 4036 C CA . ILE C 126 ? 1.2488 2.0316 1.0345 0.0396 0.1732 0.5759 1005 ILE C CA 4037 C C . ILE C 126 ? 1.2552 2.0739 1.0604 0.0505 0.1229 0.5719 1005 ILE C C 4038 O O . ILE C 126 ? 1.2918 2.1558 1.0497 0.0520 0.0912 0.6003 1005 ILE C O 4039 C CB . ILE C 126 ? 1.3532 2.1473 1.0463 0.0077 0.1965 0.5450 1005 ILE C CB 4040 C CG1 . ILE C 126 ? 1.4172 2.1774 1.0912 -0.0027 0.2538 0.5502 1005 ILE C CG1 4041 C CG2 . ILE C 126 ? 1.3120 2.1049 1.0201 -0.0060 0.1953 0.4829 1005 ILE C CG2 4042 C CD1 . ILE C 126 ? 1.6822 2.4549 1.2340 -0.0307 0.2717 0.5510 1005 ILE C CD1 4043 N N . VAL C 127 ? 1.1206 1.9223 0.9968 0.0566 0.1157 0.5379 1006 VAL C N 4044 C CA . VAL C 127 ? 1.0671 1.8976 0.9676 0.0638 0.0766 0.5272 1006 VAL C CA 4045 C C . VAL C 127 ? 1.1190 1.9673 0.9809 0.0365 0.0724 0.4761 1006 VAL C C 4046 O O . VAL C 127 ? 1.1213 1.9368 0.9843 0.0228 0.1018 0.4398 1006 VAL C O 4047 C CB . VAL C 127 ? 1.0459 1.8415 1.0331 0.0834 0.0715 0.5231 1006 VAL C CB 4048 C CG1 . VAL C 127 ? 1.0145 1.8424 1.0225 0.0935 0.0366 0.5217 1006 VAL C CG1 4049 C CG2 . VAL C 127 ? 1.0518 1.8116 1.0744 0.1031 0.0867 0.5647 1006 VAL C CG2 4050 N N . ASN C 128 ? 1.0727 1.9739 0.9031 0.0281 0.0378 0.4753 1007 ASN C N 4051 C CA . ASN C 128 ? 1.0784 1.9975 0.8675 -0.0026 0.0306 0.4275 1007 ASN C CA 4052 C C . ASN C 128 ? 1.0798 2.0370 0.9066 0.0009 -0.0065 0.4219 1007 ASN C C 4053 O O . ASN C 128 ? 1.1155 2.1174 0.9627 0.0195 -0.0342 0.4621 1007 ASN C O 4054 C CB . ASN C 128 ? 1.1696 2.1228 0.8579 -0.0313 0.0291 0.4292 1007 ASN C CB 4055 C CG . ASN C 128 ? 1.5254 2.4354 1.1677 -0.0419 0.0760 0.4218 1007 ASN C CG 4056 O OD1 . ASN C 128 ? 1.4331 2.2997 1.0814 -0.0534 0.1102 0.3775 1007 ASN C OD1 4057 N ND2 . ASN C 128 ? 1.4855 2.4060 1.0838 -0.0371 0.0809 0.4675 1007 ASN C ND2 4058 N N . TRP C 129 ? 0.9300 1.8686 0.7701 -0.0156 -0.0043 0.3744 1008 TRP C N 4059 C CA . TRP C 129 ? 0.8513 1.8194 0.7286 -0.0164 -0.0322 0.3638 1008 TRP C CA 4060 C C . TRP C 129 ? 0.8886 1.8442 0.7382 -0.0508 -0.0285 0.3094 1008 TRP C C 4061 O O . TRP C 129 ? 0.8997 1.8186 0.7054 -0.0702 -0.0024 0.2796 1008 TRP C O 4062 C CB . TRP C 129 ? 0.7547 1.6853 0.7120 0.0142 -0.0290 0.3753 1008 TRP C CB 4063 C CG . TRP C 129 ? 0.7201 1.5793 0.7011 0.0134 -0.0034 0.3472 1008 TRP C CG 4064 C CD1 . TRP C 129 ? 0.7221 1.5505 0.7177 0.0005 -0.0020 0.3098 1008 TRP C CD1 4065 C CD2 . TRP C 129 ? 0.7180 1.5326 0.7131 0.0245 0.0232 0.3574 1008 TRP C CD2 4066 N NE1 . TRP C 129 ? 0.6950 1.4656 0.7164 0.0059 0.0194 0.2993 1008 TRP C NE1 4067 C CE2 . TRP C 129 ? 0.7225 1.4873 0.7483 0.0197 0.0356 0.3265 1008 TRP C CE2 4068 C CE3 . TRP C 129 ? 0.7576 1.5712 0.7430 0.0364 0.0384 0.3917 1008 TRP C CE3 4069 C CZ2 . TRP C 129 ? 0.7006 1.4244 0.7582 0.0272 0.0598 0.3288 1008 TRP C CZ2 4070 C CZ3 . TRP C 129 ? 0.7573 1.5250 0.7725 0.0418 0.0664 0.3915 1008 TRP C CZ3 4071 C CH2 . TRP C 129 ? 0.7237 1.4519 0.7787 0.0372 0.0757 0.3601 1008 TRP C CH2 4072 N N . GLN C 130 ? 0.8252 1.8070 0.7043 -0.0577 -0.0502 0.2967 1009 GLN C N 4073 C CA . GLN C 130 ? 0.8223 1.7901 0.6825 -0.0909 -0.0485 0.2484 1009 GLN C CA 4074 C C . GLN C 130 ? 0.7987 1.7264 0.7188 -0.0789 -0.0459 0.2368 1009 GLN C C 4075 O O . GLN C 130 ? 0.7518 1.6878 0.7236 -0.0507 -0.0542 0.2654 1009 GLN C O 4076 C CB . GLN C 130 ? 0.8733 1.9200 0.7024 -0.1209 -0.0790 0.2445 1009 GLN C CB 4077 C CG . GLN C 130 ? 1.0500 2.1208 0.7919 -0.1513 -0.0799 0.2375 1009 GLN C CG 4078 C CD . GLN C 130 ? 1.1310 2.1329 0.8186 -0.1817 -0.0459 0.1847 1009 GLN C CD 4079 O OE1 . GLN C 130 ? 1.0827 2.0562 0.7739 -0.2045 -0.0401 0.1447 1009 GLN C OE1 4080 N NE2 . GLN C 130 ? 0.8169 1.7872 0.4544 -0.1817 -0.0188 0.1846 1009 GLN C NE2 4081 N N . PRO C 131 ? 0.7535 1.6326 0.6641 -0.1002 -0.0331 0.1963 1010 PRO C N 4082 C CA . PRO C 131 ? 0.6987 1.5372 0.6560 -0.0909 -0.0328 0.1898 1010 PRO C CA 4083 C C . PRO C 131 ? 0.7873 1.6789 0.7732 -0.0933 -0.0540 0.1986 1010 PRO C C 4084 O O . PRO C 131 ? 0.8237 1.7824 0.7922 -0.1136 -0.0704 0.1968 1010 PRO C O 4085 C CB . PRO C 131 ? 0.7367 1.5175 0.6676 -0.1169 -0.0162 0.1482 1010 PRO C CB 4086 C CG . PRO C 131 ? 0.8529 1.6270 0.7340 -0.1309 0.0015 0.1325 1010 PRO C CG 4087 C CD . PRO C 131 ? 0.8284 1.6790 0.6819 -0.1339 -0.0158 0.1555 1010 PRO C CD 4088 N N . PRO C 132 ? 0.7291 1.5940 0.7591 -0.0757 -0.0532 0.2068 1011 PRO C N 4089 C CA . PRO C 132 ? 0.7006 1.6155 0.7622 -0.0774 -0.0649 0.2128 1011 PRO C CA 4090 C C . PRO C 132 ? 0.7823 1.7183 0.8238 -0.1176 -0.0690 0.1802 1011 PRO C C 4091 O O . PRO C 132 ? 0.8047 1.6869 0.8099 -0.1415 -0.0583 0.1496 1011 PRO C O 4092 C CB . PRO C 132 ? 0.6771 1.5342 0.7707 -0.0578 -0.0546 0.2181 1011 PRO C CB 4093 C CG . PRO C 132 ? 0.7330 1.5120 0.8069 -0.0596 -0.0443 0.2050 1011 PRO C CG 4094 C CD . PRO C 132 ? 0.7100 1.5007 0.7617 -0.0566 -0.0414 0.2105 1011 PRO C CD 4095 N N . SER C 133 ? 0.7228 1.7380 0.7938 -0.1247 -0.0830 0.1883 1012 SER C N 4096 C CA . SER C 133 ? 0.7353 1.7789 0.7979 -0.1662 -0.0867 0.1590 1012 SER C CA 4097 C C . SER C 133 ? 0.8055 1.7758 0.8713 -0.1757 -0.0672 0.1375 1012 SER C C 4098 O O . SER C 133 ? 0.8318 1.7679 0.8641 -0.2118 -0.0603 0.1057 1012 SER C O 4099 C CB . SER C 133 ? 0.7515 1.9064 0.8624 -0.1677 -0.1063 0.1784 1012 SER C CB 4100 O OG . SER C 133 ? 0.8929 2.1176 0.9847 -0.1721 -0.1306 0.1949 1012 SER C OG 4101 N N . GLU C 134 ? 0.7407 1.6807 0.8401 -0.1452 -0.0574 0.1553 1013 GLU C N 4102 C CA . GLU C 134 ? 0.7298 1.5986 0.8237 -0.1529 -0.0409 0.1408 1013 GLU C CA 4103 C C . GLU C 134 ? 0.7629 1.5423 0.8374 -0.1325 -0.0355 0.1466 1013 GLU C C 4104 O O . GLU C 134 ? 0.7391 1.4890 0.8309 -0.1097 -0.0299 0.1616 1013 GLU C O 4105 C CB . GLU C 134 ? 0.7320 1.6370 0.8728 -0.1422 -0.0313 0.1517 1013 GLU C CB 4106 C CG . GLU C 134 ? 0.8483 1.8538 1.0250 -0.1629 -0.0374 0.1484 1013 GLU C CG 4107 C CD . GLU C 134 ? 1.1360 2.2006 1.3805 -0.1435 -0.0256 0.1654 1013 GLU C CD 4108 O OE1 . GLU C 134 ? 0.9285 1.9457 1.1856 -0.1138 -0.0077 0.1770 1013 GLU C OE1 4109 O OE2 . GLU C 134 ? 1.1563 2.3171 1.4443 -0.1586 -0.0334 0.1668 1013 GLU C OE2 4110 N N . ALA C 135 ? 0.7237 1.4617 0.7646 -0.1417 -0.0363 0.1340 1014 ALA C N 4111 C CA . ALA C 135 ? 0.7035 1.3661 0.7358 -0.1253 -0.0332 0.1394 1014 ALA C CA 4112 C C . ALA C 135 ? 0.7894 1.3784 0.8088 -0.1352 -0.0295 0.1325 1014 ALA C C 4113 O O . ALA C 135 ? 0.7918 1.3308 0.8160 -0.1187 -0.0331 0.1458 1014 ALA C O 4114 C CB . ALA C 135 ? 0.7330 1.3758 0.7401 -0.1341 -0.0287 0.1249 1014 ALA C CB 4115 N N . ASN C 136 ? 0.7645 1.3472 0.7638 -0.1660 -0.0236 0.1126 1015 ASN C N 4116 C CA . ASN C 136 ? 0.7854 1.3015 0.7612 -0.1821 -0.0187 0.1069 1015 ASN C CA 4117 C C . ASN C 136 ? 0.8890 1.3193 0.8452 -0.1777 -0.0242 0.1111 1015 ASN C C 4118 O O . ASN C 136 ? 0.9177 1.2891 0.8516 -0.1858 -0.0267 0.1160 1015 ASN C O 4119 C CB . ASN C 136 ? 0.7197 1.2423 0.7075 -0.1730 -0.0143 0.1185 1015 ASN C CB 4120 C CG . ASN C 136 ? 0.8282 1.4363 0.8503 -0.1724 -0.0062 0.1185 1015 ASN C CG 4121 O OD1 . ASN C 136 ? 0.6668 1.2919 0.7140 -0.1518 0.0003 0.1319 1015 ASN C OD1 4122 N ND2 . ASN C 136 ? 0.7721 1.4349 0.7990 -0.1959 -0.0058 0.1037 1015 ASN C ND2 4123 N N . GLY C 137 ? 0.8387 1.2652 0.8034 -0.1660 -0.0251 0.1102 1016 GLY C N 4124 C CA . GLY C 137 ? 0.8477 1.2077 0.8135 -0.1554 -0.0286 0.1170 1016 GLY C CA 4125 C C . GLY C 137 ? 0.8865 1.2669 0.8756 -0.1358 -0.0229 0.1180 1016 GLY C C 4126 O O . GLY C 137 ? 0.8943 1.3362 0.8869 -0.1337 -0.0183 0.1138 1016 GLY C O 4127 N N . LYS C 138 ? 0.8306 1.1617 0.8372 -0.1213 -0.0222 0.1254 1017 LYS C N 4128 C CA . LYS C 138 ? 0.8040 1.1499 0.8356 -0.1029 -0.0089 0.1247 1017 LYS C CA 4129 C C . LYS C 138 ? 0.7822 1.1683 0.8464 -0.0798 -0.0182 0.1480 1017 LYS C C 4130 O O . LYS C 138 ? 0.7994 1.1654 0.8856 -0.0692 -0.0359 0.1689 1017 LYS C O 4131 C CB . LYS C 138 ? 0.8591 1.1414 0.9129 -0.0921 -0.0004 0.1264 1017 LYS C CB 4132 C CG . LYS C 138 ? 1.0336 1.3267 1.1160 -0.0739 0.0230 0.1220 1017 LYS C CG 4133 C CD . LYS C 138 ? 1.2703 1.5037 1.3704 -0.0667 0.0445 0.1129 1017 LYS C CD 4134 C CE . LYS C 138 ? 1.5306 1.7826 1.6492 -0.0533 0.0769 0.1018 1017 LYS C CE 4135 N NZ . LYS C 138 ? 1.8540 2.0650 1.9378 -0.0687 0.1143 0.0654 1017 LYS C NZ 4136 N N . ILE C 139 ? 0.6847 1.1239 0.7466 -0.0753 -0.0076 0.1454 1018 ILE C N 4137 C CA . ILE C 139 ? 0.6519 1.1254 0.7425 -0.0539 -0.0121 0.1693 1018 ILE C CA 4138 C C . ILE C 139 ? 0.7317 1.1792 0.8659 -0.0349 -0.0066 0.1824 1018 ILE C C 4139 O O . ILE C 139 ? 0.7711 1.2061 0.9108 -0.0325 0.0148 0.1703 1018 ILE C O 4140 C CB . ILE C 139 ? 0.6734 1.2106 0.7456 -0.0541 -0.0047 0.1698 1018 ILE C CB 4141 C CG1 . ILE C 139 ? 0.6709 1.2481 0.7189 -0.0704 -0.0154 0.1632 1018 ILE C CG1 4142 C CG2 . ILE C 139 ? 0.6356 1.1959 0.7366 -0.0313 -0.0055 0.1977 1018 ILE C CG2 4143 C CD1 . ILE C 139 ? 0.6435 1.2137 0.7075 -0.0659 -0.0296 0.1763 1018 ILE C CD1 4144 N N . THR C 140 ? 0.6656 1.1029 0.8324 -0.0240 -0.0244 0.2052 1019 THR C N 4145 C CA . THR C 140 ? 0.6656 1.0875 0.8868 -0.0087 -0.0257 0.2219 1019 THR C CA 4146 C C . THR C 140 ? 0.7376 1.1948 0.9865 0.0044 -0.0160 0.2386 1019 THR C C 4147 O O . THR C 140 ? 0.7515 1.2064 1.0529 0.0151 -0.0132 0.2525 1019 THR C O 4148 C CB . THR C 140 ? 0.7300 1.1159 0.9670 -0.0123 -0.0554 0.2362 1019 THR C CB 4149 O OG1 . THR C 140 ? 0.7825 1.1753 0.9971 -0.0191 -0.0693 0.2429 1019 THR C OG1 4150 C CG2 . THR C 140 ? 0.7394 1.0828 0.9522 -0.0236 -0.0630 0.2260 1019 THR C CG2 4151 N N . GLY C 141 ? 0.6791 1.1703 0.8978 0.0035 -0.0108 0.2400 1020 GLY C N 4152 C CA . GLY C 141 ? 0.6500 1.1688 0.8874 0.0154 -0.0001 0.2594 1020 GLY C CA 4153 C C . GLY C 141 ? 0.6604 1.2062 0.8709 0.0172 -0.0054 0.2695 1020 GLY C C 4154 O O . GLY C 141 ? 0.6463 1.1976 0.8283 0.0092 -0.0156 0.2593 1020 GLY C O 4155 N N . TYR C 142 ? 0.6060 1.1692 0.8306 0.0287 0.0038 0.2915 1021 TYR C N 4156 C CA . TYR C 142 ? 0.5855 1.1728 0.7957 0.0373 0.0016 0.3094 1021 TYR C CA 4157 C C . TYR C 142 ? 0.6205 1.1882 0.8637 0.0469 0.0048 0.3335 1021 TYR C C 4158 O O . TYR C 142 ? 0.6069 1.1575 0.8833 0.0448 0.0105 0.3375 1021 TYR C O 4159 C CB . TYR C 142 ? 0.6174 1.2511 0.7947 0.0399 0.0134 0.3153 1021 TYR C CB 4160 C CG . TYR C 142 ? 0.6601 1.3159 0.7983 0.0241 0.0095 0.2892 1021 TYR C CG 4161 C CD1 . TYR C 142 ? 0.6744 1.3594 0.7964 0.0197 -0.0059 0.2860 1021 TYR C CD1 4162 C CD2 . TYR C 142 ? 0.7001 1.3461 0.8211 0.0121 0.0245 0.2663 1021 TYR C CD2 4163 C CE1 . TYR C 142 ? 0.6912 1.3977 0.7794 -0.0008 -0.0099 0.2606 1021 TYR C CE1 4164 C CE2 . TYR C 142 ? 0.7325 1.3907 0.8126 -0.0075 0.0233 0.2389 1021 TYR C CE2 4165 C CZ . TYR C 142 ? 0.7686 1.4578 0.8321 -0.0161 0.0041 0.2362 1021 TYR C CZ 4166 O OH . TYR C 142 ? 0.8212 1.5227 0.8473 -0.0409 0.0025 0.2080 1021 TYR C OH 4167 N N . ILE C 143 ? 0.6055 1.1750 0.8453 0.0567 0.0029 0.3495 1022 ILE C N 4168 C CA . ILE C 143 ? 0.6287 1.1734 0.8937 0.0649 0.0106 0.3729 1022 ILE C CA 4169 C C . ILE C 143 ? 0.6942 1.2673 0.9475 0.0839 0.0207 0.4005 1022 ILE C C 4170 O O . ILE C 143 ? 0.6971 1.2894 0.9393 0.0934 0.0146 0.4026 1022 ILE C O 4171 C CB . ILE C 143 ? 0.6815 1.1751 0.9595 0.0570 0.0009 0.3666 1022 ILE C CB 4172 C CG1 . ILE C 143 ? 0.6713 1.1397 0.9610 0.0373 -0.0155 0.3475 1022 ILE C CG1 4173 C CG2 . ILE C 143 ? 0.7467 1.2117 1.0475 0.0625 0.0140 0.3903 1022 ILE C CG2 4174 C CD1 . ILE C 143 ? 0.6777 1.0959 0.9670 0.0223 -0.0291 0.3406 1022 ILE C CD1 4175 N N . ILE C 144 ? 0.6654 1.2427 0.9250 0.0896 0.0366 0.4244 1023 ILE C N 4176 C CA . ILE C 144 ? 0.6996 1.2969 0.9473 0.1082 0.0458 0.4598 1023 ILE C CA 4177 C C . ILE C 144 ? 0.7993 1.3466 1.0759 0.1172 0.0558 0.4802 1023 ILE C C 4178 O O . ILE C 144 ? 0.8032 1.3090 1.1053 0.1030 0.0608 0.4722 1023 ILE C O 4179 C CB . ILE C 144 ? 0.7619 1.3858 0.9869 0.1055 0.0612 0.4748 1023 ILE C CB 4180 C CG1 . ILE C 144 ? 0.7630 1.4262 0.9512 0.0922 0.0554 0.4478 1023 ILE C CG1 4181 C CG2 . ILE C 144 ? 0.7971 1.4357 1.0046 0.1244 0.0686 0.5202 1023 ILE C CG2 4182 C CD1 . ILE C 144 ? 0.9187 1.6032 1.0710 0.0851 0.0755 0.4551 1023 ILE C CD1 4183 N N . TYR C 145 ? 0.7830 1.3343 1.0589 0.1399 0.0583 0.5063 1024 TYR C N 4184 C CA . TYR C 145 ? 0.8185 1.3152 1.1179 0.1517 0.0740 0.5277 1024 TYR C CA 4185 C C . TYR C 145 ? 0.9440 1.4602 1.2361 0.1764 0.0842 0.5758 1024 TYR C C 4186 O O . TYR C 145 ? 0.9423 1.5162 1.2181 0.1918 0.0713 0.5907 1024 TYR C O 4187 C CB . TYR C 145 ? 0.8256 1.2969 1.1368 0.1611 0.0724 0.5137 1024 TYR C CB 4188 C CG . TYR C 145 ? 0.8109 1.2585 1.1178 0.1362 0.0608 0.4700 1024 TYR C CG 4189 C CD1 . TYR C 145 ? 0.7921 1.2820 1.0829 0.1292 0.0438 0.4457 1024 TYR C CD1 4190 C CD2 . TYR C 145 ? 0.8499 1.2294 1.1644 0.1172 0.0661 0.4542 1024 TYR C CD2 4191 C CE1 . TYR C 145 ? 0.7701 1.2330 1.0513 0.1063 0.0330 0.4104 1024 TYR C CE1 4192 C CE2 . TYR C 145 ? 0.8480 1.2052 1.1502 0.0924 0.0511 0.4185 1024 TYR C CE2 4193 C CZ . TYR C 145 ? 0.8890 1.2862 1.1740 0.0890 0.0353 0.3986 1024 TYR C CZ 4194 O OH . TYR C 145 ? 0.8989 1.2674 1.1665 0.0646 0.0209 0.3684 1024 TYR C OH 4195 N N . TYR C 146 ? 0.9610 1.4297 1.2648 0.1784 0.1054 0.6026 1025 TYR C N 4196 C CA . TYR C 146 ? 1.0210 1.4961 1.3157 0.2033 0.1165 0.6554 1025 TYR C CA 4197 C C . TYR C 146 ? 1.1256 1.5241 1.4468 0.2151 0.1410 0.6797 1025 TYR C C 4198 O O . TYR C 146 ? 1.1389 1.4780 1.4786 0.1929 0.1529 0.6561 1025 TYR C O 4199 C CB . TYR C 146 ? 1.0608 1.5714 1.3200 0.1932 0.1209 0.6750 1025 TYR C CB 4200 C CG . TYR C 146 ? 1.1067 1.5795 1.3770 0.1669 0.1431 0.6661 1025 TYR C CG 4201 C CD1 . TYR C 146 ? 1.0915 1.5784 1.3700 0.1408 0.1391 0.6243 1025 TYR C CD1 4202 C CD2 . TYR C 146 ? 1.1749 1.6015 1.4521 0.1685 0.1693 0.7029 1025 TYR C CD2 4203 C CE1 . TYR C 146 ? 1.1183 1.5830 1.4212 0.1183 0.1593 0.6192 1025 TYR C CE1 4204 C CE2 . TYR C 146 ? 1.1893 1.5897 1.4856 0.1413 0.1911 0.6952 1025 TYR C CE2 4205 C CZ . TYR C 146 ? 1.2242 1.6500 1.5366 0.1171 0.1855 0.6540 1025 TYR C CZ 4206 O OH . TYR C 146 ? 1.2564 1.6678 1.6017 0.0922 0.2067 0.6488 1025 TYR C OH 4207 N N . SER C 147 ? 1.1095 1.5082 1.4342 0.2495 0.1471 0.7271 1026 SER C N 4208 C CA . SER C 147 ? 1.1731 1.4911 1.5231 0.2663 0.1751 0.7546 1026 SER C CA 4209 C C . SER C 147 ? 1.3391 1.6689 1.6821 0.3009 0.1804 0.8218 1026 SER C C 4210 O O . SER C 147 ? 1.3454 1.7539 1.6706 0.3185 0.1560 0.8460 1026 SER C O 4211 C CB . SER C 147 ? 1.1929 1.4743 1.5740 0.2810 0.1810 0.7306 1026 SER C CB 4212 O OG . SER C 147 ? 1.3360 1.5202 1.7375 0.2876 0.2143 0.7425 1026 SER C OG 4213 N N . THR C 148 ? 1.3712 1.6201 1.7269 0.3089 0.2112 0.8539 1027 THR C N 4214 C CA . THR C 148 ? 1.4483 1.6896 1.8006 0.3449 0.2198 0.9248 1027 THR C CA 4215 C C . THR C 148 ? 1.5514 1.7844 1.9494 0.3918 0.2214 0.9430 1027 THR C C 4216 O O . THR C 148 ? 1.6114 1.8726 2.0175 0.4321 0.2141 1.0038 1027 THR C O 4217 C CB . THR C 148 ? 1.5176 1.6701 1.8646 0.3308 0.2558 0.9511 1027 THR C CB 4218 O OG1 . THR C 148 ? 1.4474 1.5056 1.8289 0.3204 0.2829 0.9190 1027 THR C OG1 4219 C CG2 . THR C 148 ? 1.4468 1.6204 1.7582 0.2879 0.2580 0.9381 1027 THR C CG2 4220 N N . ASP C 149 ? 1.4807 1.6774 1.9089 0.3862 0.2314 0.8913 1028 ASP C N 4221 C CA . ASP C 149 ? 1.5055 1.6911 1.9822 0.4267 0.2417 0.8955 1028 ASP C CA 4222 C C . ASP C 149 ? 1.4700 1.7319 1.9538 0.4199 0.2158 0.8489 1028 ASP C C 4223 O O . ASP C 149 ? 1.4244 1.6668 1.8917 0.3821 0.2151 0.7887 1028 ASP C O 4224 C CB . ASP C 149 ? 1.5992 1.6569 2.0980 0.4247 0.2876 0.8756 1028 ASP C CB 4225 C CG . ASP C 149 ? 1.8193 1.8515 2.3682 0.4635 0.3099 0.8684 1028 ASP C CG 4226 O OD1 . ASP C 149 ? 1.8480 1.9436 2.4366 0.5129 0.2999 0.9142 1028 ASP C OD1 4227 O OD2 . ASP C 149 ? 1.9198 1.8678 2.4692 0.4440 0.3392 0.8188 1028 ASP C OD2 4228 N N . VAL C 150 ? 1.4102 1.7602 1.9203 0.4553 0.1932 0.8801 1029 VAL C N 4229 C CA . VAL C 150 ? 1.3351 1.7688 1.8589 0.4521 0.1686 0.8452 1029 VAL C CA 4230 C C . VAL C 150 ? 1.3950 1.7741 1.9537 0.4552 0.1982 0.7989 1029 VAL C C 4231 O O . VAL C 150 ? 1.3341 1.7449 1.8824 0.4301 0.1866 0.7483 1029 VAL C O 4232 C CB . VAL C 150 ? 1.3719 1.9178 1.9225 0.4881 0.1360 0.8980 1029 VAL C CB 4233 C CG1 . VAL C 150 ? 1.4378 1.9625 2.0557 0.5472 0.1568 0.9563 1029 VAL C CG1 4234 C CG2 . VAL C 150 ? 1.2932 1.9352 1.8539 0.4754 0.1074 0.8613 1029 VAL C CG2 4235 N N . ASN C 151 ? 1.4258 1.7153 2.0190 0.4834 0.2396 0.8152 1030 ASN C N 4236 C CA . ASN C 151 ? 1.4407 1.6658 2.0611 0.4881 0.2768 0.7731 1030 ASN C CA 4237 C C . ASN C 151 ? 1.4952 1.6125 2.0677 0.4387 0.2991 0.7145 1030 ASN C C 4238 O O . ASN C 151 ? 1.5246 1.5796 2.1029 0.4345 0.3310 0.6738 1030 ASN C O 4239 C CB . ASN C 151 ? 1.5340 1.7198 2.2220 0.5477 0.3142 0.8189 1030 ASN C CB 4240 C CG . ASN C 151 ? 1.8632 2.1642 2.6061 0.5969 0.2855 0.8833 1030 ASN C CG 4241 O OD1 . ASN C 151 ? 1.7121 2.1206 2.4762 0.5982 0.2565 0.8732 1030 ASN C OD1 4242 N ND2 . ASN C 151 ? 1.8686 2.1514 2.6330 0.6349 0.2899 0.9531 1030 ASN C ND2 4243 N N . ALA C 152 ? 1.4169 1.5164 1.9424 0.3991 0.2823 0.7092 1031 ALA C N 4244 C CA . ALA C 152 ? 1.4193 1.4308 1.9052 0.3483 0.2944 0.6594 1031 ALA C CA 4245 C C . ALA C 152 ? 1.4231 1.4550 1.8819 0.3132 0.2778 0.5981 1031 ALA C C 4246 O O . ALA C 152 ? 1.3485 1.4755 1.8067 0.3147 0.2465 0.5937 1031 ALA C O 4247 C CB . ALA C 152 ? 1.4151 1.4275 1.8732 0.3180 0.2777 0.6739 1031 ALA C CB 4248 N N . GLU C 153 ? 1.4355 1.3746 1.8668 0.2787 0.2982 0.5514 1032 GLU C N 4249 C CA . GLU C 153 ? 1.4131 1.3589 1.8079 0.2408 0.2818 0.4956 1032 GLU C CA 4250 C C . GLU C 153 ? 1.3963 1.4044 1.7670 0.2061 0.2361 0.4876 1032 GLU C C 4251 O O . GLU C 153 ? 1.3942 1.4018 1.7674 0.1963 0.2279 0.5103 1032 GLU C O 4252 C CB . GLU C 153 ? 1.5120 1.3404 1.8711 0.2063 0.3111 0.4505 1032 GLU C CB 4253 C CG . GLU C 153 ? 1.7526 1.5369 2.1217 0.2317 0.3545 0.4326 1032 GLU C CG 4254 C CD . GLU C 153 ? 2.2071 1.8545 2.5439 0.2092 0.4005 0.3980 1032 GLU C CD 4255 O OE1 . GLU C 153 ? 2.2526 1.8334 2.5591 0.1695 0.3965 0.3884 1032 GLU C OE1 4256 O OE2 . GLU C 153 ? 2.1916 1.7977 2.5361 0.2307 0.4440 0.3804 1032 GLU C OE2 4257 N N . ILE C 154 ? 1.2853 1.3461 1.6366 0.1895 0.2106 0.4576 1033 ILE C N 4258 C CA . ILE C 154 ? 1.2084 1.3299 1.5435 0.1634 0.1709 0.4506 1033 ILE C CA 4259 C C . ILE C 154 ? 1.2631 1.3449 1.5841 0.1234 0.1587 0.4408 1033 ILE C C 4260 O O . ILE C 154 ? 1.2306 1.3637 1.5597 0.1170 0.1382 0.4551 1033 ILE C O 4261 C CB . ILE C 154 ? 1.1953 1.3698 1.5126 0.1538 0.1498 0.4216 1033 ILE C CB 4262 C CG1 . ILE C 154 ? 1.1300 1.3877 1.4449 0.1466 0.1153 0.4284 1033 ILE C CG1 4263 C CG2 . ILE C 154 ? 1.2350 1.3448 1.5115 0.1160 0.1504 0.3760 1033 ILE C CG2 4264 C CD1 . ILE C 154 ? 1.2112 1.5393 1.5500 0.1795 0.1124 0.4700 1033 ILE C CD1 4265 N N . HIS C 155 ? 1.2592 1.2511 1.5615 0.0951 0.1734 0.4165 1034 HIS C N 4266 C CA . HIS C 155 ? 1.2611 1.2173 1.5586 0.0530 0.1604 0.4081 1034 HIS C CA 4267 C C . HIS C 155 ? 1.2695 1.2237 1.5996 0.0647 0.1752 0.4479 1034 HIS C C 4268 O O . HIS C 155 ? 1.2385 1.2093 1.5821 0.0385 0.1594 0.4520 1034 HIS C O 4269 C CB . HIS C 155 ? 1.3527 1.2109 1.6147 0.0140 0.1712 0.3716 1034 HIS C CB 4270 C CG . HIS C 155 ? 1.4038 1.2499 1.6212 -0.0018 0.1623 0.3330 1034 HIS C CG 4271 N ND1 . HIS C 155 ? 1.3904 1.2701 1.5851 -0.0344 0.1209 0.3127 1034 HIS C ND1 4272 C CD2 . HIS C 155 ? 1.4802 1.2812 1.6727 0.0111 0.1933 0.3135 1034 HIS C CD2 4273 C CE1 . HIS C 155 ? 1.4124 1.2646 1.5613 -0.0428 0.1263 0.2828 1034 HIS C CE1 4274 N NE2 . HIS C 155 ? 1.4688 1.2753 1.6155 -0.0167 0.1715 0.2802 1034 HIS C NE2 4275 N N . ASP C 156 ? 1.2442 1.1816 1.5905 0.1054 0.2061 0.4804 1035 ASP C N 4276 C CA . ASP C 156 ? 1.2693 1.1972 1.6393 0.1209 0.2244 0.5252 1035 ASP C CA 4277 C C . ASP C 156 ? 1.2272 1.2505 1.6076 0.1399 0.2055 0.5582 1035 ASP C C 4278 O O . ASP C 156 ? 1.2352 1.2568 1.6262 0.1409 0.2164 0.5918 1035 ASP C O 4279 C CB . ASP C 156 ? 1.3723 1.2361 1.7548 0.1585 0.2648 0.5512 1035 ASP C CB 4280 C CG . ASP C 156 ? 1.6299 1.3823 1.9958 0.1370 0.2937 0.5160 1035 ASP C CG 4281 O OD1 . ASP C 156 ? 1.6380 1.3529 1.9805 0.0846 0.2814 0.4792 1035 ASP C OD1 4282 O OD2 . ASP C 156 ? 1.8318 1.5341 2.2086 0.1717 0.3292 0.5257 1035 ASP C OD2 4283 N N . TRP C 157 ? 1.0943 1.1958 1.4661 0.1503 0.1800 0.5465 1036 TRP C N 4284 C CA . TRP C 157 ? 1.0287 1.2182 1.3983 0.1615 0.1616 0.5681 1036 TRP C CA 4285 C C . TRP C 157 ? 1.0352 1.2407 1.4061 0.1246 0.1475 0.5512 1036 TRP C C 4286 O O . TRP C 157 ? 1.0067 1.1780 1.3804 0.0923 0.1385 0.5183 1036 TRP C O 4287 C CB . TRP C 157 ? 0.9563 1.2149 1.3159 0.1771 0.1406 0.5542 1036 TRP C CB 4288 C CG . TRP C 157 ? 0.9888 1.2638 1.3620 0.2190 0.1511 0.5814 1036 TRP C CG 4289 C CD1 . TRP C 157 ? 1.0789 1.2949 1.4702 0.2383 0.1766 0.5828 1036 TRP C CD1 4290 C CD2 . TRP C 157 ? 0.9710 1.3307 1.3456 0.2466 0.1360 0.6116 1036 TRP C CD2 4291 N NE1 . TRP C 157 ? 1.0853 1.3481 1.5012 0.2815 0.1793 0.6167 1036 TRP C NE1 4292 C CE2 . TRP C 157 ? 1.0585 1.4134 1.4636 0.2854 0.1507 0.6363 1036 TRP C CE2 4293 C CE3 . TRP C 157 ? 0.9474 1.3857 1.2996 0.2406 0.1124 0.6196 1036 TRP C CE3 4294 C CZ2 . TRP C 157 ? 1.0425 1.4793 1.4627 0.3178 0.1354 0.6725 1036 TRP C CZ2 4295 C CZ3 . TRP C 157 ? 0.9693 1.4805 1.3226 0.2675 0.0982 0.6517 1036 TRP C CZ3 4296 C CH2 . TRP C 157 ? 1.0085 1.5240 1.3986 0.3055 0.1062 0.6799 1036 TRP C CH2 4297 N N . VAL C 158 ? 0.9941 1.2511 1.3636 0.1290 0.1467 0.5750 1037 VAL C N 4298 C CA . VAL C 158 ? 0.9805 1.2598 1.3623 0.0996 0.1404 0.5622 1037 VAL C CA 4299 C C . VAL C 158 ? 1.0045 1.3426 1.3744 0.0958 0.1145 0.5327 1037 VAL C C 4300 O O . VAL C 158 ? 0.9992 1.3854 1.3452 0.1165 0.1083 0.5402 1037 VAL C O 4301 C CB . VAL C 158 ? 1.0574 1.3540 1.4397 0.1035 0.1619 0.6002 1037 VAL C CB 4302 C CG1 . VAL C 158 ? 1.0274 1.3460 1.4363 0.0739 0.1636 0.5862 1037 VAL C CG1 4303 C CG2 . VAL C 158 ? 1.1264 1.3575 1.5161 0.1103 0.1893 0.6342 1037 VAL C CG2 4304 N N . ILE C 159 ? 0.9408 1.2744 1.3282 0.0681 0.0981 0.5013 1038 ILE C N 4305 C CA . ILE C 159 ? 0.8936 1.2696 1.2724 0.0629 0.0751 0.4736 1038 ILE C CA 4306 C C . ILE C 159 ? 0.9266 1.3489 1.3207 0.0581 0.0809 0.4767 1038 ILE C C 4307 O O . ILE C 159 ? 0.9344 1.3498 1.3658 0.0429 0.0919 0.4843 1038 ILE C O 4308 C CB . ILE C 159 ? 0.9213 1.2634 1.3054 0.0386 0.0518 0.4418 1038 ILE C CB 4309 C CG1 . ILE C 159 ? 0.9530 1.2558 1.3069 0.0456 0.0514 0.4307 1038 ILE C CG1 4310 C CG2 . ILE C 159 ? 0.8728 1.2513 1.2582 0.0301 0.0295 0.4194 1038 ILE C CG2 4311 C CD1 . ILE C 159 ? 1.1349 1.3641 1.4899 0.0417 0.0716 0.4383 1038 ILE C CD1 4312 N N . GLU C 160 ? 0.8396 1.3082 1.2060 0.0692 0.0769 0.4693 1039 GLU C N 4313 C CA . GLU C 160 ? 0.8109 1.3178 1.1812 0.0653 0.0878 0.4650 1039 GLU C CA 4314 C C . GLU C 160 ? 0.8222 1.3498 1.1797 0.0620 0.0696 0.4335 1039 GLU C C 4315 O O . GLU C 160 ? 0.8206 1.3731 1.1359 0.0704 0.0644 0.4276 1039 GLU C O 4316 C CB . GLU C 160 ? 0.8578 1.3922 1.1914 0.0783 0.1095 0.4909 1039 GLU C CB 4317 C CG . GLU C 160 ? 1.0632 1.5777 1.4164 0.0756 0.1361 0.5218 1039 GLU C CG 4318 C CD . GLU C 160 ? 1.3174 1.8446 1.7032 0.0611 0.1616 0.5201 1039 GLU C CD 4319 O OE1 . GLU C 160 ? 1.0178 1.5694 1.4161 0.0556 0.1608 0.4938 1039 GLU C OE1 4320 O OE2 . GLU C 160 ? 1.2753 1.7859 1.6777 0.0558 0.1862 0.5464 1039 GLU C OE2 4321 N N . PRO C 161 ? 0.7607 1.2782 1.1561 0.0484 0.0574 0.4149 1040 PRO C N 4322 C CA . PRO C 161 ? 0.7318 1.2586 1.1145 0.0458 0.0413 0.3880 1040 PRO C CA 4323 C C . PRO C 161 ? 0.7957 1.3526 1.1708 0.0492 0.0615 0.3780 1040 PRO C C 4324 O O . PRO C 161 ? 0.8106 1.3789 1.2140 0.0494 0.0868 0.3871 1040 PRO C O 4325 C CB . PRO C 161 ? 0.7325 1.2350 1.1611 0.0313 0.0193 0.3800 1040 PRO C CB 4326 C CG . PRO C 161 ? 0.8002 1.2823 1.2610 0.0225 0.0223 0.3985 1040 PRO C CG 4327 C CD . PRO C 161 ? 0.7689 1.2671 1.2230 0.0334 0.0545 0.4197 1040 PRO C CD 4328 N N . VAL C 162 ? 0.7456 1.3120 1.0804 0.0492 0.0541 0.3572 1041 VAL C N 4329 C CA . VAL C 162 ? 0.7447 1.3288 1.0572 0.0479 0.0734 0.3389 1041 VAL C CA 4330 C C . VAL C 162 ? 0.7466 1.3102 1.0767 0.0427 0.0592 0.3149 1041 VAL C C 4331 O O . VAL C 162 ? 0.7088 1.2606 1.0145 0.0374 0.0355 0.3045 1041 VAL C O 4332 C CB . VAL C 162 ? 0.8082 1.4201 1.0503 0.0470 0.0757 0.3357 1041 VAL C CB 4333 C CG1 . VAL C 162 ? 0.8347 1.4573 1.0427 0.0389 0.0999 0.3127 1041 VAL C CG1 4334 C CG2 . VAL C 162 ? 0.8218 1.4509 1.0467 0.0557 0.0809 0.3682 1041 VAL C CG2 4335 N N . VAL C 163 ? 0.7009 1.2593 1.0775 0.0452 0.0759 0.3090 1042 VAL C N 4336 C CA . VAL C 163 ? 0.6870 1.2228 1.0903 0.0447 0.0646 0.2932 1042 VAL C CA 4337 C C . VAL C 163 ? 0.7814 1.3108 1.1419 0.0422 0.0849 0.2654 1042 VAL C C 4338 O O . VAL C 163 ? 0.8131 1.3535 1.1598 0.0436 0.1209 0.2564 1042 VAL C O 4339 C CB . VAL C 163 ? 0.7114 1.2450 1.2046 0.0514 0.0648 0.3058 1042 VAL C CB 4340 C CG1 . VAL C 163 ? 0.6759 1.2004 1.2000 0.0437 0.0259 0.3242 1042 VAL C CG1 4341 C CG2 . VAL C 163 ? 0.7269 1.2856 1.2571 0.0579 0.1051 0.3148 1042 VAL C CG2 4342 N N . GLY C 164 ? 0.7545 1.2611 1.0885 0.0348 0.0636 0.2506 1043 GLY C N 4343 C CA . GLY C 164 ? 0.7923 1.2833 1.0812 0.0263 0.0787 0.2214 1043 GLY C CA 4344 C C . GLY C 164 ? 0.8789 1.3963 1.0926 0.0120 0.0793 0.2102 1043 GLY C C 4345 O O . GLY C 164 ? 0.8846 1.4336 1.0863 0.0143 0.0705 0.2292 1043 GLY C O 4346 N N . ASN C 165 ? 0.8575 1.3628 1.0228 -0.0038 0.0890 0.1809 1044 ASN C N 4347 C CA . ASN C 165 ? 0.8786 1.4194 0.9762 -0.0217 0.0855 0.1707 1044 ASN C CA 4348 C C . ASN C 165 ? 0.9791 1.5456 1.0402 -0.0252 0.1147 0.1680 1044 ASN C C 4349 O O . ASN C 165 ? 1.0188 1.5810 1.0249 -0.0451 0.1345 0.1392 1044 ASN C O 4350 C CB . ASN C 165 ? 0.9552 1.4789 1.0120 -0.0447 0.0785 0.1416 1044 ASN C CB 4351 C CG . ASN C 165 ? 1.2662 1.8396 1.2653 -0.0663 0.0661 0.1343 1044 ASN C CG 4352 O OD1 . ASN C 165 ? 1.0064 1.6160 1.0114 -0.0632 0.0403 0.1532 1044 ASN C OD1 4353 N ND2 . ASN C 165 ? 1.3613 1.9386 1.3050 -0.0894 0.0849 0.1067 1044 ASN C ND2 4354 N N . ARG C 166 ? 0.9278 1.5153 1.0153 -0.0090 0.1191 0.1978 1045 ARG C N 4355 C CA . ARG C 166 ? 0.9618 1.5732 1.0127 -0.0115 0.1455 0.2048 1045 ARG C CA 4356 C C . ARG C 166 ? 1.0141 1.6732 1.0182 -0.0179 0.1176 0.2239 1045 ARG C C 4357 O O . ARG C 166 ? 0.9598 1.6301 0.9922 -0.0082 0.0873 0.2426 1045 ARG C O 4358 C CB . ARG C 166 ? 0.9214 1.5299 1.0314 0.0081 0.1629 0.2321 1045 ARG C CB 4359 C CG . ARG C 166 ? 0.9758 1.5503 1.1488 0.0176 0.1901 0.2189 1045 ARG C CG 4360 C CD . ARG C 166 ? 0.9972 1.5782 1.2379 0.0327 0.2075 0.2453 1045 ARG C CD 4361 N NE . ARG C 166 ? 1.0922 1.6503 1.4105 0.0444 0.2285 0.2356 1045 ARG C NE 4362 C CZ . ARG C 166 ? 1.4041 1.9487 1.7285 0.0463 0.2777 0.2147 1045 ARG C CZ 4363 N NH1 . ARG C 166 ? 1.3570 1.9045 1.6003 0.0320 0.3122 0.1976 1045 ARG C NH1 4364 N NH2 . ARG C 166 ? 1.3244 1.8522 1.7359 0.0624 0.2934 0.2115 1045 ARG C NH2 4365 N N . LEU C 167 ? 1.0241 1.7109 0.9566 -0.0347 0.1275 0.2194 1046 LEU C N 4366 C CA . LEU C 167 ? 1.0245 1.7655 0.9184 -0.0395 0.0966 0.2426 1046 LEU C CA 4367 C C . LEU C 167 ? 1.0809 1.8466 0.9551 -0.0290 0.1034 0.2819 1046 LEU C C 4368 O O . LEU C 167 ? 1.0776 1.8910 0.9160 -0.0311 0.0789 0.3074 1046 LEU C O 4369 C CB . LEU C 167 ? 1.0698 1.8363 0.8961 -0.0719 0.0840 0.2129 1046 LEU C CB 4370 C CG . LEU C 167 ? 1.1085 1.8520 0.9555 -0.0836 0.0728 0.1803 1046 LEU C CG 4371 C CD1 . LEU C 167 ? 1.1668 1.9346 0.9456 -0.1217 0.0643 0.1495 1046 LEU C CD1 4372 C CD2 . LEU C 167 ? 1.0616 1.8180 0.9679 -0.0649 0.0419 0.2023 1046 LEU C CD2 4373 N N . THR C 168 ? 1.0359 1.7701 0.9432 -0.0160 0.1356 0.2911 1047 THR C N 4374 C CA . THR C 168 ? 1.0620 1.8064 0.9576 -0.0067 0.1507 0.3291 1047 THR C CA 4375 C C . THR C 168 ? 1.0856 1.7994 1.0653 0.0144 0.1654 0.3474 1047 THR C C 4376 O O . THR C 168 ? 1.0537 1.7380 1.0908 0.0179 0.1750 0.3252 1047 THR C O 4377 C CB . THR C 168 ? 1.2166 1.9589 1.0357 -0.0277 0.1881 0.3148 1047 THR C CB 4378 O OG1 . THR C 168 ? 1.2975 2.0581 1.0379 -0.0559 0.1776 0.2847 1047 THR C OG1 4379 C CG2 . THR C 168 ? 1.2438 1.9992 1.0295 -0.0237 0.2015 0.3568 1047 THR C CG2 4380 N N . HIS C 169 ? 1.0597 1.7805 1.0469 0.0269 0.1652 0.3901 1048 HIS C N 4381 C CA . HIS C 169 ? 1.0381 1.7320 1.0983 0.0404 0.1794 0.4102 1048 HIS C CA 4382 C C . HIS C 169 ? 1.1750 1.8739 1.2100 0.0450 0.1943 0.4539 1048 HIS C C 4383 O O . HIS C 169 ? 1.1989 1.9186 1.1951 0.0519 0.1717 0.4837 1048 HIS C O 4384 C CB . HIS C 169 ? 0.9743 1.6532 1.0977 0.0529 0.1473 0.4135 1048 HIS C CB 4385 C CG . HIS C 169 ? 0.9920 1.6420 1.1887 0.0588 0.1577 0.4277 1048 HIS C CG 4386 N ND1 . HIS C 169 ? 0.9968 1.6320 1.2507 0.0540 0.1733 0.4075 1048 HIS C ND1 4387 C CD2 . HIS C 169 ? 1.0137 1.6479 1.2371 0.0674 0.1532 0.4598 1048 HIS C CD2 4388 C CE1 . HIS C 169 ? 0.9764 1.5948 1.2890 0.0560 0.1746 0.4278 1048 HIS C CE1 4389 N NE2 . HIS C 169 ? 0.9947 1.6066 1.2872 0.0624 0.1650 0.4575 1048 HIS C NE2 4390 N N . GLN C 170 ? 1.1563 1.8368 1.2198 0.0420 0.2332 0.4603 1049 GLN C N 4391 C CA . GLN C 170 ? 1.2030 1.8785 1.2471 0.0430 0.2563 0.5017 1049 GLN C CA 4392 C C . GLN C 170 ? 1.2035 1.8528 1.3255 0.0546 0.2498 0.5281 1049 GLN C C 4393 O O . GLN C 170 ? 1.1504 1.7847 1.3499 0.0534 0.2509 0.5093 1049 GLN C O 4394 C CB . GLN C 170 ? 1.2723 1.9417 1.3080 0.0286 0.3100 0.4877 1049 GLN C CB 4395 C CG . GLN C 170 ? 1.5396 2.2095 1.5064 0.0205 0.3393 0.5229 1049 GLN C CG 4396 C CD . GLN C 170 ? 1.7928 2.4521 1.7736 0.0071 0.4004 0.5063 1049 GLN C CD 4397 O OE1 . GLN C 170 ? 1.7142 2.3606 1.7735 0.0089 0.4265 0.5193 1049 GLN C OE1 4398 N NE2 . GLN C 170 ? 1.7277 2.3922 1.6385 -0.0083 0.4262 0.4736 1049 GLN C NE2 4399 N N . ILE C 171 ? 1.1789 1.8207 1.2790 0.0645 0.2422 0.5723 1050 ILE C N 4400 C CA . ILE C 171 ? 1.1516 1.7577 1.3132 0.0722 0.2416 0.5981 1050 ILE C CA 4401 C C . ILE C 171 ? 1.2632 1.8526 1.4050 0.0670 0.2785 0.6386 1050 ILE C C 4402 O O . ILE C 171 ? 1.3225 1.9216 1.3919 0.0724 0.2788 0.6719 1050 ILE C O 4403 C CB . ILE C 171 ? 1.1562 1.7521 1.3251 0.0915 0.2038 0.6131 1050 ILE C CB 4404 C CG1 . ILE C 171 ? 1.0834 1.6954 1.2663 0.0929 0.1718 0.5726 1050 ILE C CG1 4405 C CG2 . ILE C 171 ? 1.1603 1.7062 1.3869 0.0945 0.2105 0.6334 1050 ILE C CG2 4406 C CD1 . ILE C 171 ? 1.0455 1.6645 1.2189 0.1119 0.1398 0.5846 1050 ILE C CD1 4407 N N . GLN C 172 ? 1.2066 1.7735 1.4132 0.0545 0.3081 0.6379 1051 GLN C N 4408 C CA . GLN C 172 ? 1.2731 1.8204 1.4713 0.0443 0.3502 0.6740 1051 GLN C CA 4409 C C . GLN C 172 ? 1.3393 1.8391 1.5795 0.0477 0.3473 0.7076 1051 GLN C C 4410 O O . GLN C 172 ? 1.2827 1.7638 1.5636 0.0557 0.3158 0.6967 1051 GLN C O 4411 C CB . GLN C 172 ? 1.2844 1.8437 1.5343 0.0244 0.3933 0.6504 1051 GLN C CB 4412 C CG . GLN C 172 ? 1.3833 1.9769 1.6014 0.0207 0.4062 0.6114 1051 GLN C CG 4413 C CD . GLN C 172 ? 1.4955 2.1014 1.8023 0.0097 0.4396 0.5831 1051 GLN C CD 4414 O OE1 . GLN C 172 ? 1.4122 2.0259 1.7117 -0.0018 0.4922 0.5824 1051 GLN C OE1 4415 N NE2 . GLN C 172 ? 1.3765 1.9865 1.7705 0.0133 0.4105 0.5603 1051 GLN C NE2 4416 N N . GLU C 173 ? 1.3798 1.8541 1.6049 0.0386 0.3847 0.7471 1052 GLU C N 4417 C CA . GLU C 173 ? 1.4173 1.8361 1.6782 0.0358 0.3948 0.7811 1052 GLU C CA 4418 C C . GLU C 173 ? 1.4941 1.8787 1.7259 0.0627 0.3654 0.8128 1052 GLU C C 4419 O O . GLU C 173 ? 1.4995 1.8327 1.7778 0.0622 0.3631 0.8199 1052 GLU C O 4420 C CB . GLU C 173 ? 1.3803 1.7852 1.7450 0.0146 0.3956 0.7511 1052 GLU C CB 4421 C CG . GLU C 173 ? 1.5199 1.9524 1.9361 -0.0114 0.4353 0.7368 1052 GLU C CG 4422 C CD . GLU C 173 ? 1.9052 2.3000 2.3676 -0.0358 0.4713 0.7647 1052 GLU C CD 4423 O OE1 . GLU C 173 ? 1.7067 2.0643 2.2232 -0.0464 0.4539 0.7622 1052 GLU C OE1 4424 O OE2 . GLU C 173 ? 2.1199 2.5182 2.5588 -0.0477 0.5189 0.7882 1052 GLU C OE2 4425 N N . LEU C 174 ? 1.4686 1.8802 1.6258 0.0846 0.3458 0.8335 1053 LEU C N 4426 C CA . LEU C 174 ? 1.4841 1.8739 1.6249 0.1156 0.3188 0.8680 1053 LEU C CA 4427 C C . LEU C 174 ? 1.6390 1.9849 1.7433 0.1240 0.3429 0.9346 1053 LEU C C 4428 O O . LEU C 174 ? 1.6997 2.0561 1.7497 0.1098 0.3695 0.9583 1053 LEU C O 4429 C CB . LEU C 174 ? 1.4539 1.9032 1.5484 0.1353 0.2787 0.8597 1053 LEU C CB 4430 C CG . LEU C 174 ? 1.4180 1.8990 1.5487 0.1304 0.2527 0.7985 1053 LEU C CG 4431 C CD1 . LEU C 174 ? 1.4157 1.9610 1.4888 0.1291 0.2325 0.7805 1053 LEU C CD1 4432 C CD2 . LEU C 174 ? 1.3911 1.8500 1.5644 0.1511 0.2271 0.7927 1053 LEU C CD2 4433 N N . THR C 175 ? 1.6185 1.9081 1.7515 0.1462 0.3379 0.9642 1054 THR C N 4434 C CA . THR C 175 ? 1.7184 1.9530 1.8246 0.1607 0.3589 1.0327 1054 THR C CA 4435 C C . THR C 175 ? 1.8163 2.0989 1.8402 0.1836 0.3378 1.0810 1054 THR C C 4436 O O . THR C 175 ? 1.7643 2.1032 1.7764 0.2044 0.2973 1.0711 1054 THR C O 4437 C CB . THR C 175 ? 1.8244 1.9854 1.9842 0.1834 0.3582 1.0462 1054 THR C CB 4438 O OG1 . THR C 175 ? 1.7197 1.8491 1.9458 0.1573 0.3658 0.9912 1054 THR C OG1 4439 C CG2 . THR C 175 ? 1.9474 2.0314 2.0919 0.1926 0.3904 1.1136 1054 THR C CG2 4440 N N . LEU C 176 ? 1.8651 2.1281 1.8300 0.1750 0.3647 1.1324 1055 LEU C N 4441 C CA . LEU C 176 ? 1.9276 2.2313 1.8001 0.1891 0.3456 1.1858 1055 LEU C CA 4442 C C . LEU C 176 ? 2.0161 2.3047 1.8952 0.2366 0.3157 1.2474 1055 LEU C C 4443 O O . LEU C 176 ? 2.0147 2.2333 1.9591 0.2556 0.3293 1.2605 1055 LEU C O 4444 C CB . LEU C 176 ? 2.0218 2.3013 1.8229 0.1605 0.3893 1.2218 1055 LEU C CB 4445 C CG . LEU C 176 ? 2.1149 2.3113 1.9600 0.1372 0.4463 1.2310 1055 LEU C CG 4446 C CD1 . LEU C 176 ? 2.0192 2.2242 1.9358 0.1026 0.4707 1.1569 1055 LEU C CD1 4447 C CD2 . LEU C 176 ? 2.1885 2.3026 2.0837 0.1651 0.4494 1.2752 1055 LEU C CD2 4448 N N . ASP C 177 ? 2.0225 2.3781 1.8376 0.2546 0.2748 1.2833 1056 ASP C N 4449 C CA . ASP C 177 ? 2.0817 2.4459 1.9068 0.3034 0.2392 1.3486 1056 ASP C CA 4450 C C . ASP C 177 ? 2.0531 2.3953 1.9851 0.3369 0.2292 1.3232 1056 ASP C C 4451 O O . ASP C 177 ? 2.0931 2.3863 2.0678 0.3769 0.2319 1.3737 1056 ASP C O 4452 C CB . ASP C 177 ? 2.2555 2.5225 2.0156 0.3044 0.2510 1.4071 1056 ASP C CB 4453 C CG . ASP C 177 ? 2.4527 2.6005 2.0911 0.2954 0.1617 1.3486 1056 ASP C CG 4454 O OD1 . ASP C 177 ? 2.4336 2.6505 2.0860 0.3139 0.1133 1.3287 1056 ASP C OD1 4455 O OD2 . ASP C 177 ? 2.5372 2.5681 2.0975 0.2859 0.1538 1.3666 1056 ASP C OD2 4456 N N . THR C 178 ? 1.9054 2.2790 1.8774 0.3193 0.2215 1.2436 1057 THR C N 4457 C CA . THR C 178 ? 1.8311 2.1832 1.8914 0.3410 0.2164 1.2077 1057 THR C CA 4458 C C . THR C 178 ? 1.8018 2.2475 1.8713 0.3492 0.1713 1.1727 1057 THR C C 4459 O O . THR C 178 ? 1.7496 2.2499 1.7816 0.3164 0.1599 1.1257 1057 THR C O 4460 C CB . THR C 178 ? 1.9143 2.2020 2.0180 0.3072 0.2526 1.1455 1057 THR C CB 4461 O OG1 . THR C 178 ? 2.0509 2.2601 2.1433 0.2919 0.2951 1.1783 1057 THR C OG1 4462 C CG2 . THR C 178 ? 1.8485 2.0952 2.0299 0.3241 0.2532 1.1101 1057 THR C CG2 4463 N N . PRO C 179 ? 1.7496 2.2117 1.8746 0.3921 0.1495 1.1926 1058 PRO C N 4464 C CA . PRO C 179 ? 1.6616 2.2111 1.8078 0.3964 0.1107 1.1536 1058 PRO C CA 4465 C C . PRO C 179 ? 1.5976 2.1171 1.7864 0.3733 0.1265 1.0720 1058 PRO C C 4466 O O . PRO C 179 ? 1.5776 2.0157 1.8171 0.3812 0.1559 1.0594 1058 PRO C O 4467 C CB . PRO C 179 ? 1.7199 2.2849 1.9278 0.4520 0.0937 1.2050 1058 PRO C CB 4468 C CG . PRO C 179 ? 1.8883 2.3705 2.0988 0.4786 0.1222 1.2753 1058 PRO C CG 4469 C CD . PRO C 179 ? 1.8376 2.2344 2.0173 0.4381 0.1652 1.2465 1058 PRO C CD 4470 N N . TYR C 180 ? 1.4924 2.0711 1.6536 0.3412 0.1081 1.0175 1059 TYR C N 4471 C CA . TYR C 180 ? 1.3988 1.9612 1.5922 0.3177 0.1149 0.9432 1059 TYR C CA 4472 C C . TYR C 180 ? 1.3778 2.0113 1.5925 0.3259 0.0820 0.9144 1059 TYR C C 4473 O O . TYR C 180 ? 1.3798 2.0909 1.5744 0.3379 0.0505 0.9428 1059 TYR C O 4474 C CB . TYR C 180 ? 1.3891 1.9502 1.5415 0.2732 0.1277 0.9023 1059 TYR C CB 4475 C CG . TYR C 180 ? 1.4541 1.9353 1.6158 0.2575 0.1672 0.9084 1059 TYR C CG 4476 C CD1 . TYR C 180 ? 1.4457 1.8647 1.6600 0.2459 0.1848 0.8708 1059 TYR C CD1 4477 C CD2 . TYR C 180 ? 1.5388 2.0083 1.6530 0.2489 0.1868 0.9505 1059 TYR C CD2 4478 C CE1 . TYR C 180 ? 1.5019 1.8542 1.7299 0.2252 0.2185 0.8745 1059 TYR C CE1 4479 C CE2 . TYR C 180 ? 1.5789 1.9794 1.7072 0.2298 0.2258 0.9546 1059 TYR C CE2 4480 C CZ . TYR C 180 ? 1.6193 1.9637 1.8091 0.2177 0.2403 0.9166 1059 TYR C CZ 4481 O OH . TYR C 180 ? 1.6228 1.9059 1.8329 0.1934 0.2757 0.9187 1059 TYR C OH 4482 N N . TYR C 181 ? 1.2809 1.8877 1.5355 0.3167 0.0887 0.8597 1060 TYR C N 4483 C CA . TYR C 181 ? 1.2245 1.8855 1.5041 0.3203 0.0654 0.8260 1060 TYR C CA 4484 C C . TYR C 181 ? 1.2126 1.8686 1.4765 0.2812 0.0651 0.7598 1060 TYR C C 4485 O O . TYR C 181 ? 1.2053 1.7938 1.4781 0.2639 0.0872 0.7353 1060 TYR C O 4486 C CB . TYR C 181 ? 1.2482 1.8692 1.5942 0.3534 0.0799 0.8308 1060 TYR C CB 4487 C CG . TYR C 181 ? 1.3433 1.9692 1.7176 0.3994 0.0813 0.9011 1060 TYR C CG 4488 C CD1 . TYR C 181 ? 1.3767 2.0934 1.7746 0.4268 0.0510 0.9331 1060 TYR C CD1 4489 C CD2 . TYR C 181 ? 1.4233 1.9661 1.8022 0.4143 0.1114 0.9396 1060 TYR C CD2 4490 C CE1 . TYR C 181 ? 1.4848 2.2123 1.9153 0.4729 0.0482 1.0053 1060 TYR C CE1 4491 C CE2 . TYR C 181 ? 1.5120 2.0549 1.9156 0.4592 0.1126 1.0109 1060 TYR C CE2 4492 C CZ . TYR C 181 ? 1.6457 2.2826 2.0775 0.4908 0.0797 1.0454 1060 TYR C CZ 4493 O OH . TYR C 181 ? 1.7565 2.3976 2.2223 0.5396 0.0777 1.1218 1060 TYR C OH 4494 N N . PHE C 182 ? 1.1280 1.8551 1.3699 0.2656 0.0390 0.7327 1061 PHE C N 4495 C CA . PHE C 182 ? 1.0606 1.7849 1.2865 0.2308 0.0374 0.6733 1061 PHE C CA 4496 C C . PHE C 182 ? 1.0253 1.7880 1.2698 0.2278 0.0191 0.6394 1061 PHE C C 4497 O O . PHE C 182 ? 1.0274 1.8591 1.2756 0.2396 -0.0027 0.6563 1061 PHE C O 4498 C CB . PHE C 182 ? 1.1013 1.8623 1.2667 0.2047 0.0322 0.6665 1061 PHE C CB 4499 C CG . PHE C 182 ? 1.1813 1.9100 1.3204 0.2024 0.0548 0.6985 1061 PHE C CG 4500 C CD1 . PHE C 182 ? 1.2921 2.0424 1.4043 0.2207 0.0503 0.7562 1061 PHE C CD1 4501 C CD2 . PHE C 182 ? 1.2002 1.8802 1.3438 0.1812 0.0802 0.6741 1061 PHE C CD2 4502 C CE1 . PHE C 182 ? 1.3643 2.0796 1.4468 0.2160 0.0751 0.7877 1061 PHE C CE1 4503 C CE2 . PHE C 182 ? 1.2963 1.9482 1.4210 0.1767 0.1060 0.7037 1061 PHE C CE2 4504 C CZ . PHE C 182 ? 1.3434 2.0096 1.4332 0.1931 0.1052 0.7595 1061 PHE C CZ 4505 N N . LYS C 183 ? 0.9103 1.6333 1.1647 0.2083 0.0258 0.5925 1062 LYS C N 4506 C CA . LYS C 183 ? 0.8490 1.5991 1.1120 0.1979 0.0123 0.5551 1062 LYS C CA 4507 C C . LYS C 183 ? 0.8348 1.5528 1.0792 0.1656 0.0136 0.5075 1062 LYS C C 4508 O O . LYS C 183 ? 0.8513 1.5169 1.0971 0.1566 0.0271 0.5028 1062 LYS C O 4509 C CB . LYS C 183 ? 0.8705 1.6063 1.1806 0.2211 0.0198 0.5584 1062 LYS C CB 4510 C CG . LYS C 183 ? 0.9312 1.5770 1.2625 0.2281 0.0460 0.5568 1062 LYS C CG 4511 C CD . LYS C 183 ? 1.0365 1.6747 1.4113 0.2577 0.0597 0.5688 1062 LYS C CD 4512 C CE . LYS C 183 ? 1.3000 1.8397 1.6853 0.2563 0.0883 0.5535 1062 LYS C CE 4513 N NZ . LYS C 183 ? 1.5333 2.0570 1.9599 0.2849 0.1108 0.5581 1062 LYS C NZ 4514 N N . ILE C 184 ? 0.7290 1.4830 0.9580 0.1474 -0.0011 0.4760 1063 ILE C N 4515 C CA . ILE C 184 ? 0.6955 1.4225 0.9073 0.1196 -0.0017 0.4348 1063 ILE C CA 4516 C C . ILE C 184 ? 0.7477 1.4693 0.9673 0.1092 -0.0088 0.4040 1063 ILE C C 4517 O O . ILE C 184 ? 0.7721 1.5371 1.0032 0.1169 -0.0155 0.4081 1063 ILE C O 4518 C CB . ILE C 184 ? 0.7488 1.5138 0.9188 0.1010 -0.0065 0.4239 1063 ILE C CB 4519 C CG1 . ILE C 184 ? 0.8166 1.6145 0.9640 0.1114 -0.0040 0.4607 1063 ILE C CG1 4520 C CG2 . ILE C 184 ? 0.7415 1.4657 0.9040 0.0812 0.0032 0.3939 1063 ILE C CG2 4521 C CD1 . ILE C 184 ? 1.1163 1.9452 1.2122 0.0898 -0.0050 0.4467 1063 ILE C CD1 4522 N N . GLN C 185 ? 0.6621 1.3324 0.8781 0.0912 -0.0073 0.3757 1064 GLN C N 4523 C CA . GLN C 185 ? 0.6205 1.2759 0.8303 0.0749 -0.0134 0.3451 1064 GLN C CA 4524 C C . GLN C 185 ? 0.6503 1.2871 0.8398 0.0521 -0.0192 0.3196 1064 GLN C C 4525 O O . GLN C 185 ? 0.6044 1.2216 0.7986 0.0513 -0.0149 0.3240 1064 GLN C O 4526 C CB . GLN C 185 ? 0.6295 1.2296 0.8527 0.0775 -0.0059 0.3405 1064 GLN C CB 4527 C CG . GLN C 185 ? 0.6543 1.1926 0.8823 0.0714 -0.0037 0.3414 1064 GLN C CG 4528 C CD . GLN C 185 ? 0.8197 1.2992 1.0469 0.0672 0.0035 0.3328 1064 GLN C CD 4529 O OE1 . GLN C 185 ? 0.8454 1.2754 1.0776 0.0606 0.0051 0.3359 1064 GLN C OE1 4530 N NE2 . GLN C 185 ? 0.5599 1.0405 0.7779 0.0658 0.0095 0.3186 1064 GLN C NE2 4531 N N . ALA C 186 ? 0.6305 1.2765 0.8017 0.0346 -0.0259 0.2948 1065 ALA C N 4532 C CA . ALA C 186 ? 0.6143 1.2367 0.7671 0.0146 -0.0292 0.2707 1065 ALA C CA 4533 C C . ALA C 186 ? 0.6518 1.2127 0.8088 0.0065 -0.0349 0.2619 1065 ALA C C 4534 O O . ALA C 186 ? 0.6678 1.2088 0.8263 0.0077 -0.0352 0.2639 1065 ALA C O 4535 C CB . ALA C 186 ? 0.6188 1.2747 0.7465 -0.0038 -0.0327 0.2495 1065 ALA C CB 4536 N N . ARG C 187 ? 0.5854 1.1158 0.7430 -0.0023 -0.0386 0.2527 1066 ARG C N 4537 C CA . ARG C 187 ? 0.6042 1.0806 0.7625 -0.0129 -0.0513 0.2479 1066 ARG C CA 4538 C C . ARG C 187 ? 0.7183 1.1771 0.8577 -0.0279 -0.0545 0.2291 1066 ARG C C 4539 O O . ARG C 187 ? 0.7275 1.2018 0.8682 -0.0270 -0.0443 0.2211 1066 ARG C O 4540 C CB . ARG C 187 ? 0.5871 1.0412 0.7815 -0.0064 -0.0567 0.2630 1066 ARG C CB 4541 C CG . ARG C 187 ? 0.5705 1.0358 0.7915 0.0068 -0.0490 0.2831 1066 ARG C CG 4542 C CD . ARG C 187 ? 0.7196 1.1471 0.9670 -0.0012 -0.0646 0.2912 1066 ARG C CD 4543 N NE . ARG C 187 ? 1.0227 1.4513 1.3032 -0.0013 -0.0693 0.2922 1066 ARG C NE 4544 C CZ . ARG C 187 ? 1.2472 1.6511 1.5551 -0.0105 -0.0912 0.2985 1066 ARG C CZ 4545 N NH1 . ARG C 187 ? 1.0146 1.3855 1.3064 -0.0264 -0.1124 0.3010 1066 ARG C NH1 4546 N NH2 . ARG C 187 ? 1.1141 1.5259 1.4652 -0.0047 -0.0919 0.3024 1066 ARG C NH2 4547 N N . ASN C 188 ? 0.7204 1.1387 0.8383 -0.0430 -0.0662 0.2222 1067 ASN C N 4548 C CA . ASN C 188 ? 0.7334 1.1183 0.8359 -0.0562 -0.0709 0.2108 1067 ASN C CA 4549 C C . ASN C 188 ? 0.8156 1.1468 0.9184 -0.0625 -0.0938 0.2228 1067 ASN C C 4550 O O . ASN C 188 ? 0.8097 1.1343 0.9224 -0.0601 -0.1043 0.2353 1067 ASN C O 4551 C CB . ASN C 188 ? 0.5777 0.9708 0.6433 -0.0746 -0.0614 0.1899 1067 ASN C CB 4552 C CG . ASN C 188 ? 0.8347 1.2145 0.8699 -0.0904 -0.0631 0.1849 1067 ASN C CG 4553 O OD1 . ASN C 188 ? 0.9119 1.2539 0.9357 -0.0940 -0.0737 0.1934 1067 ASN C OD1 4554 N ND2 . ASN C 188 ? 0.7809 1.1906 0.7994 -0.1045 -0.0511 0.1689 1067 ASN C ND2 4555 N N . SER C 189 ? 0.7907 1.0822 0.8818 -0.0719 -0.1025 0.2207 1068 SER C N 4556 C CA . SER C 189 ? 0.8134 1.0566 0.9000 -0.0798 -0.1304 0.2370 1068 SER C CA 4557 C C . SER C 189 ? 0.8788 1.0984 0.9197 -0.0983 -0.1422 0.2379 1068 SER C C 4558 O O . SER C 189 ? 0.9186 1.1062 0.9537 -0.1070 -0.1693 0.2533 1068 SER C O 4559 C CB . SER C 189 ? 0.9197 1.1207 0.9894 -0.0877 -0.1338 0.2356 1068 SER C CB 4560 O OG . SER C 189 ? 1.1675 1.3471 1.1774 -0.1106 -0.1256 0.2205 1068 SER C OG 4561 N N . LYS C 190 ? 0.8237 1.0607 0.8337 -0.1053 -0.1211 0.2213 1069 LYS C N 4562 C CA . LYS C 190 ? 0.8366 1.0478 0.8005 -0.1225 -0.1197 0.2161 1069 LYS C CA 4563 C C . LYS C 190 ? 0.8805 1.1101 0.8614 -0.1118 -0.1109 0.2180 1069 LYS C C 4564 O O . LYS C 190 ? 0.9163 1.1095 0.8610 -0.1263 -0.1119 0.2150 1069 LYS C O 4565 C CB . LYS C 190 ? 0.8709 1.0834 0.7958 -0.1384 -0.0980 0.1975 1069 LYS C CB 4566 C CG . LYS C 190 ? 0.9013 1.0813 0.8012 -0.1539 -0.1035 0.1953 1069 LYS C CG 4567 C CD . LYS C 190 ? 1.0698 1.1809 0.9126 -0.1775 -0.1223 0.2046 1069 LYS C CD 4568 C CE . LYS C 190 ? 1.3136 1.3839 1.1339 -0.1898 -0.1285 0.2091 1069 LYS C CE 4569 N NZ . LYS C 190 ? 1.5848 1.5977 1.3278 -0.2221 -0.1278 0.2087 1069 LYS C NZ 4570 N N . GLY C 191 ? 0.8144 1.0927 0.8437 -0.0885 -0.1003 0.2230 1070 GLY C N 4571 C CA . GLY C 191 ? 0.8116 1.1014 0.8591 -0.0764 -0.0897 0.2287 1070 GLY C CA 4572 C C . GLY C 191 ? 0.8697 1.2196 0.9518 -0.0527 -0.0692 0.2322 1070 GLY C C 4573 O O . GLY C 191 ? 0.8393 1.2265 0.9348 -0.0465 -0.0667 0.2305 1070 GLY C O 4574 N N . MET C 192 ? 0.8607 1.2152 0.9541 -0.0405 -0.0546 0.2384 1071 MET C N 4575 C CA . MET C 192 ? 0.8356 1.2432 0.9619 -0.0154 -0.0383 0.2505 1071 MET C CA 4576 C C . MET C 192 ? 0.8420 1.2891 0.9649 -0.0113 -0.0229 0.2427 1071 MET C C 4577 O O . MET C 192 ? 0.8681 1.2902 0.9706 -0.0212 -0.0120 0.2303 1071 MET C O 4578 C CB . MET C 192 ? 0.8955 1.2803 1.0389 -0.0026 -0.0274 0.2643 1071 MET C CB 4579 C CG . MET C 192 ? 0.9697 1.3196 1.1251 -0.0098 -0.0409 0.2734 1071 MET C CG 4580 S SD . MET C 192 ? 1.0264 1.4094 1.2101 -0.0075 -0.0555 0.2819 1071 MET C SD 4581 C CE . MET C 192 ? 0.9768 1.4180 1.1845 0.0191 -0.0358 0.2996 1071 MET C CE 4582 N N . GLY C 193 ? 0.7379 1.2491 0.8818 0.0019 -0.0210 0.2508 1072 GLY C N 4583 C CA . GLY C 193 ? 0.7260 1.2924 0.8811 0.0065 -0.0109 0.2485 1072 GLY C CA 4584 C C . GLY C 193 ? 0.7392 1.3366 0.9319 0.0368 0.0018 0.2726 1072 GLY C C 4585 O O . GLY C 193 ? 0.7356 1.2974 0.9371 0.0504 0.0062 0.2875 1072 GLY C O 4586 N N . PRO C 194 ? 0.6422 1.3071 0.8632 0.0483 0.0078 0.2800 1073 PRO C N 4587 C CA . PRO C 194 ? 0.6424 1.3375 0.9069 0.0829 0.0185 0.3104 1073 PRO C CA 4588 C C . PRO C 194 ? 0.7256 1.4492 0.9947 0.0979 0.0051 0.3384 1073 PRO C C 4589 O O . PRO C 194 ? 0.7252 1.4596 0.9663 0.0805 -0.0103 0.3304 1073 PRO C O 4590 C CB . PRO C 194 ? 0.6442 1.4151 0.9449 0.0885 0.0231 0.3124 1073 PRO C CB 4591 C CG . PRO C 194 ? 0.6766 1.4758 0.9491 0.0554 0.0074 0.2884 1073 PRO C CG 4592 C CD . PRO C 194 ? 0.6270 1.3463 0.8480 0.0302 0.0040 0.2643 1073 PRO C CD 4593 N N . MET C 195 ? 0.6999 1.4286 1.0019 0.1299 0.0151 0.3711 1074 MET C N 4594 C CA . MET C 195 ? 0.7092 1.4593 1.0129 0.1462 0.0068 0.4042 1074 MET C CA 4595 C C . MET C 195 ? 0.7931 1.6370 1.1163 0.1597 -0.0085 0.4304 1074 MET C C 4596 O O . MET C 195 ? 0.7930 1.6854 1.1552 0.1716 -0.0068 0.4358 1074 MET C O 4597 C CB . MET C 195 ? 0.7742 1.4735 1.1016 0.1735 0.0264 0.4310 1074 MET C CB 4598 C CG . MET C 195 ? 0.8470 1.4573 1.1607 0.1604 0.0414 0.4085 1074 MET C CG 4599 S SD . MET C 195 ? 0.9291 1.4942 1.2290 0.1554 0.0402 0.4240 1074 MET C SD 4600 C CE . MET C 195 ? 0.9326 1.3924 1.2304 0.1452 0.0612 0.4050 1074 MET C CE 4601 N N . SER C 196 ? 0.7690 1.6396 1.0681 0.1592 -0.0222 0.4509 1075 SER C N 4602 C CA . SER C 196 ? 0.7777 1.7360 1.0825 0.1691 -0.0427 0.4824 1075 SER C CA 4603 C C . SER C 196 ? 0.8295 1.7962 1.1846 0.2128 -0.0347 0.5317 1075 SER C C 4604 O O . SER C 196 ? 0.8358 1.7282 1.2079 0.2304 -0.0099 0.5372 1075 SER C O 4605 C CB . SER C 196 ? 0.8287 1.7940 1.0780 0.1522 -0.0533 0.4872 1075 SER C CB 4606 O OG . SER C 196 ? 0.9279 1.8474 1.1745 0.1715 -0.0394 0.5178 1075 SER C OG 4607 N N . GLU C 197 ? 0.7871 1.8423 1.1661 0.2290 -0.0564 0.5683 1076 GLU C N 4608 C CA . GLU C 197 ? 0.8194 1.8902 1.2483 0.2747 -0.0528 0.6250 1076 GLU C CA 4609 C C . GLU C 197 ? 0.9086 1.9330 1.2914 0.2780 -0.0496 0.6524 1076 GLU C C 4610 O O . GLU C 197 ? 0.9094 1.9513 1.2301 0.2488 -0.0652 0.6430 1076 GLU C O 4611 C CB . GLU C 197 ? 0.8480 2.0402 1.3085 0.2857 -0.0878 0.6621 1076 GLU C CB 4612 C CG . GLU C 197 ? 0.9547 2.1831 1.5075 0.3356 -0.0809 0.7067 1076 GLU C CG 4613 C CD . GLU C 197 ? 1.2297 2.4897 1.8474 0.3368 -0.0676 0.6774 1076 GLU C CD 4614 O OE1 . GLU C 197 ? 1.1133 2.4803 1.7622 0.3260 -0.0959 0.6806 1076 GLU C OE1 4615 O OE2 . GLU C 197 ? 1.3428 2.5200 1.9796 0.3464 -0.0272 0.6515 1076 GLU C OE2 4616 N N . ALA C 198 ? 0.9023 1.8615 1.3128 0.3101 -0.0244 0.6825 1077 ALA C N 4617 C CA . ALA C 198 ? 0.9412 1.8523 1.3135 0.3127 -0.0163 0.7119 1077 ALA C CA 4618 C C . ALA C 198 ? 1.0412 2.0282 1.3811 0.3160 -0.0465 0.7585 1077 ALA C C 4619 O O . ALA C 198 ? 1.0586 2.1194 1.4356 0.3412 -0.0686 0.7977 1077 ALA C O 4620 C CB . ALA C 198 ? 0.9867 1.8181 1.3993 0.3468 0.0159 0.7405 1077 ALA C CB 4621 N N . VAL C 199 ? 1.0251 1.9985 1.2952 0.2878 -0.0481 0.7522 1078 VAL C N 4622 C CA . VAL C 199 ? 1.0807 2.1103 1.2952 0.2816 -0.0721 0.7915 1078 VAL C CA 4623 C C . VAL C 199 ? 1.1801 2.1467 1.3847 0.3030 -0.0496 0.8406 1078 VAL C C 4624 O O . VAL C 199 ? 1.1679 2.0522 1.3682 0.2935 -0.0171 0.8195 1078 VAL C O 4625 C CB . VAL C 199 ? 1.1268 2.1739 1.2643 0.2328 -0.0793 0.7458 1078 VAL C CB 4626 C CG1 . VAL C 199 ? 1.2016 2.2746 1.2605 0.2199 -0.0899 0.7811 1078 VAL C CG1 4627 C CG2 . VAL C 199 ? 1.0856 2.2011 1.2287 0.2109 -0.1051 0.7072 1078 VAL C CG2 4628 N N . GLN C 200 ? 1.1953 2.2011 1.4013 0.3313 -0.0679 0.9082 1079 GLN C N 4629 C CA . GLN C 200 ? 1.2591 2.2043 1.4501 0.3509 -0.0468 0.9613 1079 GLN C CA 4630 C C . GLN C 200 ? 1.3622 2.3222 1.4556 0.3209 -0.0534 0.9779 1079 GLN C C 4631 O O . GLN C 200 ? 1.3588 2.4002 1.4012 0.3028 -0.0892 0.9843 1079 GLN C O 4632 C CB . GLN C 200 ? 1.3293 2.2907 1.5796 0.4037 -0.0564 1.0325 1079 GLN C CB 4633 C CG . GLN C 200 ? 1.6123 2.4859 1.8571 0.4260 -0.0251 1.0843 1079 GLN C CG 4634 C CD . GLN C 200 ? 1.9052 2.7852 2.2069 0.4821 -0.0319 1.1623 1079 GLN C CD 4635 O OE1 . GLN C 200 ? 1.9329 2.7370 2.2295 0.5016 -0.0066 1.2087 1079 GLN C OE1 4636 N NE2 . GLN C 200 ? 1.7287 2.6957 2.0917 0.5099 -0.0637 1.1794 1079 GLN C NE2 4637 N N . PHE C 201 ? 1.3708 2.2500 1.4367 0.3118 -0.0162 0.9821 1080 PHE C N 4638 C CA . PHE C 201 ? 1.4370 2.3127 1.4117 0.2845 -0.0083 0.9992 1080 PHE C CA 4639 C C . PHE C 201 ? 1.5294 2.3237 1.5041 0.2996 0.0272 1.0466 1080 PHE C C 4640 O O . PHE C 201 ? 1.4920 2.2104 1.5155 0.3013 0.0620 1.0239 1080 PHE C O 4641 C CB . PHE C 201 ? 1.4252 2.2951 1.3555 0.2381 0.0084 0.9291 1080 PHE C CB 4642 C CG . PHE C 201 ? 1.5337 2.4066 1.3646 0.2084 0.0205 0.9425 1080 PHE C CG 4643 C CD1 . PHE C 201 ? 1.6350 2.5802 1.3852 0.1871 -0.0116 0.9483 1080 PHE C CD1 4644 C CD2 . PHE C 201 ? 1.6023 2.4053 1.4180 0.1982 0.0661 0.9488 1080 PHE C CD2 4645 C CE1 . PHE C 201 ? 1.7432 2.6842 1.3891 0.1567 0.0043 0.9591 1080 PHE C CE1 4646 C CE2 . PHE C 201 ? 1.7290 2.5322 1.4505 0.1702 0.0844 0.9616 1080 PHE C CE2 4647 C CZ . PHE C 201 ? 1.7648 2.6338 1.3970 0.1497 0.0548 0.9657 1080 PHE C CZ 4648 N N . ARG C 202 ? 1.5720 2.3810 1.4874 0.3065 0.0174 1.1128 1081 ARG C N 4649 C CA . ARG C 202 ? 1.6389 2.3688 1.5441 0.3170 0.0527 1.1625 1081 ARG C CA 4650 C C . ARG C 202 ? 1.7272 2.4397 1.5418 0.2735 0.0803 1.1504 1081 ARG C C 4651 O O . ARG C 202 ? 1.7741 2.5412 1.4984 0.2533 0.0595 1.1659 1081 ARG C O 4652 C CB . ARG C 202 ? 1.7362 2.4812 1.6407 0.3584 0.0286 1.2534 1081 ARG C CB 4653 C CG . ARG C 202 ? 1.9442 2.5916 1.8506 0.3734 0.0695 1.3062 1081 ARG C CG 4654 C CD . ARG C 202 ? 2.0921 2.7006 1.9387 0.3918 0.0355 1.3619 1081 ARG C CD 4655 N NE . ARG C 202 ? 2.1770 2.6288 2.0210 0.3983 0.0636 1.3648 1081 ARG C NE 4656 C CZ . ARG C 202 ? 2.2738 2.6030 2.1534 0.4187 0.0460 1.3212 1081 ARG C CZ 4657 N NH1 . ARG C 202 ? 1.9424 2.4826 1.9895 0.5019 0.0539 1.4471 1081 ARG C NH1 4658 N NH2 . ARG C 202 ? 2.2350 2.4861 2.1415 0.4373 0.0901 1.3780 1081 ARG C NH2 4659 N N . THR C 203 ? 1.6736 2.3107 1.5127 0.2571 0.1286 1.1226 1082 THR C N 4660 C CA . THR C 203 ? 1.7278 2.3416 1.5014 0.2179 0.1667 1.1091 1082 THR C CA 4661 C C . THR C 203 ? 1.9339 2.5360 1.6231 0.2192 0.1732 1.1858 1082 THR C C 4662 O O . THR C 203 ? 1.9849 2.5535 1.6979 0.2531 0.1683 1.2504 1082 THR C O 4663 C CB . THR C 203 ? 1.8256 2.3638 1.6640 0.2050 0.2146 1.0765 1082 THR C CB 4664 O OG1 . THR C 203 ? 1.8619 2.3345 1.7572 0.2344 0.2252 1.1193 1082 THR C OG1 4665 C CG2 . THR C 203 ? 1.6946 2.2460 1.5930 0.1915 0.2114 0.9980 1082 THR C CG2 4666 N N . PRO C 204 ? 1.9636 2.5866 1.5505 0.1827 0.1874 1.1814 1083 PRO C N 4667 C CA . PRO C 204 ? 2.1482 2.7541 1.6413 0.1792 0.1961 1.2563 1083 PRO C CA 4668 C C . PRO C 204 ? 2.4085 2.8756 1.9113 0.1729 0.2387 1.2615 1083 PRO C C 4669 O O . PRO C 204 ? 1.7093 2.1723 1.3223 0.1837 0.2787 1.2579 1083 PRO C O 4670 C CB . PRO C 204 ? 2.2118 2.8478 1.5938 0.1311 0.2140 1.2218 1083 PRO C CB 4671 C CG . PRO C 204 ? 2.1384 2.7758 1.5805 0.1113 0.2381 1.1319 1083 PRO C CG 4672 C CD . PRO C 204 ? 1.9586 2.6142 1.5071 0.1428 0.2008 1.1085 1083 PRO C CD 4680 N N . PRO D 5 ? 2.3971 1.4058 1.7132 -0.6244 -0.4265 0.2354 884 PRO D N 4681 C CA . PRO D 5 ? 2.2766 1.3360 1.6340 -0.5664 -0.4177 0.2379 884 PRO D CA 4682 C C . PRO D 5 ? 2.1596 1.2591 1.5748 -0.5048 -0.3995 0.1937 884 PRO D C 4683 O O . PRO D 5 ? 2.1930 1.2252 1.6232 -0.4820 -0.4111 0.1610 884 PRO D O 4684 C CB . PRO D 5 ? 2.3894 1.3357 1.7235 -0.5575 -0.4591 0.2684 884 PRO D CB 4685 C CG . PRO D 5 ? 2.5880 1.4027 1.8937 -0.5786 -0.4929 0.2625 884 PRO D CG 4686 C CD . PRO D 5 ? 2.5446 1.3963 1.8307 -0.6300 -0.4707 0.2448 884 PRO D CD 4687 N N . MET D 6 ? 1.9531 1.1634 1.3996 -0.4815 -0.3706 0.1908 885 MET D N 4688 C CA . MET D 6 ? 1.8680 1.1258 1.3595 -0.4322 -0.3507 0.1556 885 MET D CA 4689 C C . MET D 6 ? 1.9551 1.1702 1.4793 -0.3795 -0.3633 0.1484 885 MET D C 4690 O O . MET D 6 ? 1.9785 1.1622 1.4946 -0.3761 -0.3827 0.1792 885 MET D O 4691 C CB . MET D 6 ? 1.7850 1.1630 1.2942 -0.4292 -0.3225 0.1606 885 MET D CB 4692 C CG . MET D 6 ? 1.8087 1.2436 1.3037 -0.4684 -0.3116 0.1542 885 MET D CG 4693 S SD . MET D 6 ? 1.7453 1.3086 1.2717 -0.4523 -0.2890 0.1530 885 MET D SD 4694 C CE . MET D 6 ? 1.6817 1.2369 1.2224 -0.4116 -0.2785 0.1199 885 MET D CE 4695 N N . MET D 7 ? 1.9162 1.1353 1.4767 -0.3416 -0.3527 0.1054 886 MET D N 4696 C CA . MET D 7 ? 1.9177 1.1142 1.5232 -0.2890 -0.3612 0.0867 886 MET D CA 4697 C C . MET D 7 ? 1.8479 1.1296 1.4752 -0.2671 -0.3413 0.1023 886 MET D C 4698 O O . MET D 7 ? 1.7802 1.1429 1.4096 -0.2719 -0.3115 0.0956 886 MET D O 4699 C CB . MET D 7 ? 1.9651 1.1605 1.6046 -0.2637 -0.3477 0.0268 886 MET D CB 4700 C CG . MET D 7 ? 2.1200 1.2098 1.7722 -0.2523 -0.3784 -0.0018 886 MET D CG 4701 S SD . MET D 7 ? 2.1718 1.2914 1.8922 -0.2036 -0.3572 -0.0825 886 MET D SD 4702 C CE . MET D 7 ? 2.0774 1.2254 1.8539 -0.1504 -0.3662 -0.0732 886 MET D CE 4703 N N . PRO D 8 ? 1.7733 1.0346 1.4139 -0.2450 -0.3607 0.1244 887 PRO D N 4704 C CA . PRO D 8 ? 1.6734 1.0138 1.3349 -0.2265 -0.3414 0.1355 887 PRO D CA 4705 C C . PRO D 8 ? 1.6424 1.0330 1.3506 -0.1900 -0.3168 0.0943 887 PRO D C 4706 O O . PRO D 8 ? 1.7050 1.0612 1.4428 -0.1669 -0.3224 0.0548 887 PRO D O 4707 C CB . PRO D 8 ? 1.7266 1.0216 1.3862 -0.2156 -0.3736 0.1649 887 PRO D CB 4708 C CG . PRO D 8 ? 1.8810 1.0724 1.5439 -0.2045 -0.4112 0.1542 887 PRO D CG 4709 C CD . PRO D 8 ? 1.8723 1.0342 1.5074 -0.2371 -0.4051 0.1409 887 PRO D CD 4710 N N . PRO D 9 ? 1.4454 0.9161 1.1621 -0.1865 -0.2899 0.0996 888 PRO D N 4711 C CA . PRO D 9 ? 1.3837 0.9006 1.1355 -0.1618 -0.2657 0.0637 888 PRO D CA 4712 C C . PRO D 9 ? 1.4259 0.9239 1.2283 -0.1218 -0.2780 0.0381 888 PRO D C 4713 O O . PRO D 9 ? 1.4425 0.8970 1.2514 -0.1091 -0.3089 0.0591 888 PRO D O 4714 C CB . PRO D 9 ? 1.3301 0.9158 1.0755 -0.1686 -0.2460 0.0869 888 PRO D CB 4715 C CG . PRO D 9 ? 1.3790 0.9675 1.0887 -0.1998 -0.2526 0.1200 888 PRO D CG 4716 C CD . PRO D 9 ? 1.3931 0.9154 1.0894 -0.2070 -0.2807 0.1347 888 PRO D CD 4717 N N . VAL D 10 ? 1.3637 0.8965 1.2013 -0.1049 -0.2558 -0.0096 889 VAL D N 4718 C CA . VAL D 10 ? 1.3698 0.9046 1.2707 -0.0650 -0.2633 -0.0480 889 VAL D CA 4719 C C . VAL D 10 ? 1.3512 0.9695 1.2769 -0.0606 -0.2279 -0.0704 889 VAL D C 4720 O O . VAL D 10 ? 1.3245 0.9844 1.2121 -0.0890 -0.2012 -0.0551 889 VAL D O 4721 C CB . VAL D 10 ? 1.4894 0.9811 1.4233 -0.0482 -0.2732 -0.1019 889 VAL D CB 4722 C CG1 . VAL D 10 ? 1.5610 0.9517 1.4779 -0.0473 -0.3189 -0.0782 889 VAL D CG1 4723 C CG2 . VAL D 10 ? 1.4929 1.0193 1.4044 -0.0755 -0.2367 -0.1386 889 VAL D CG2 4724 N N . GLY D 11 ? 1.2712 0.9116 1.2608 -0.0269 -0.2307 -0.1073 890 GLY D N 4725 C CA . GLY D 11 ? 1.2077 0.9289 1.2269 -0.0260 -0.1966 -0.1365 890 GLY D CA 4726 C C . GLY D 11 ? 1.1494 0.9061 1.1352 -0.0454 -0.1829 -0.0918 890 GLY D C 4727 O O . GLY D 11 ? 1.1101 0.9186 1.0795 -0.0689 -0.1491 -0.1004 890 GLY D O 4728 N N . VAL D 12 ? 1.0766 0.8013 1.0490 -0.0388 -0.2111 -0.0444 891 VAL D N 4729 C CA . VAL D 12 ? 1.0152 0.7669 0.9629 -0.0523 -0.2040 -0.0044 891 VAL D CA 4730 C C . VAL D 12 ? 1.0371 0.8422 1.0288 -0.0382 -0.1912 -0.0248 891 VAL D C 4731 O O . VAL D 12 ? 1.0420 0.8483 1.0844 -0.0087 -0.2106 -0.0446 891 VAL D O 4732 C CB . VAL D 12 ? 1.0549 0.7655 0.9746 -0.0549 -0.2341 0.0435 891 VAL D CB 4733 C CG1 . VAL D 12 ? 0.9975 0.7428 0.8943 -0.0710 -0.2216 0.0751 891 VAL D CG1 4734 C CG2 . VAL D 12 ? 1.0919 0.7506 0.9727 -0.0725 -0.2473 0.0582 891 VAL D CG2 4735 N N . GLN D 13 ? 0.9608 0.8083 0.9342 -0.0607 -0.1617 -0.0210 892 GLN D N 4736 C CA . GLN D 13 ? 0.9211 0.8198 0.9299 -0.0565 -0.1463 -0.0396 892 GLN D CA 4737 C C . GLN D 13 ? 0.9773 0.8854 0.9561 -0.0739 -0.1397 -0.0028 892 GLN D C 4738 O O . GLN D 13 ? 0.9827 0.8721 0.9148 -0.0940 -0.1367 0.0261 892 GLN D O 4739 C CB . GLN D 13 ? 0.9355 0.8815 0.9591 -0.0721 -0.1118 -0.0871 892 GLN D CB 4740 C CG . GLN D 13 ? 1.0139 0.9703 1.0942 -0.0469 -0.1158 -0.1417 892 GLN D CG 4741 C CD . GLN D 13 ? 1.1929 1.2119 1.2863 -0.0702 -0.0746 -0.1948 892 GLN D CD 4742 O OE1 . GLN D 13 ? 1.1619 1.1801 1.2335 -0.0878 -0.0578 -0.2199 892 GLN D OE1 4743 N N . ALA D 14 ? 0.9087 0.8467 0.9198 -0.0642 -0.1404 -0.0070 893 ALA D N 4744 C CA . ALA D 14 ? 0.8653 0.8140 0.8584 -0.0787 -0.1334 0.0181 893 ALA D CA 4745 C C . ALA D 14 ? 0.9217 0.9139 0.9293 -0.0969 -0.1051 -0.0079 893 ALA D C 4746 O O . ALA D 14 ? 0.9259 0.9566 0.9810 -0.0865 -0.0987 -0.0463 893 ALA D O 4747 C CB . ALA D 14 ? 0.8561 0.8030 0.8673 -0.0601 -0.1573 0.0335 893 ALA D CB 4748 N N . SER D 15 ? 0.8942 0.8798 0.8612 -0.1267 -0.0894 0.0107 894 SER D N 4749 C CA . SER D 15 ? 0.9083 0.9243 0.8726 -0.1560 -0.0633 -0.0056 894 SER D CA 4750 C C . SER D 15 ? 0.9193 0.9205 0.8738 -0.1621 -0.0697 0.0214 894 SER D C 4751 O O . SER D 15 ? 0.9312 0.8930 0.8516 -0.1653 -0.0820 0.0548 894 SER D O 4752 C CB . SER D 15 ? 1.0377 1.0439 0.9495 -0.1932 -0.0445 -0.0037 894 SER D CB 4753 O OG . SER D 15 ? 1.2472 1.2878 1.1540 -0.2290 -0.0169 -0.0243 894 SER D OG 4754 N N . ILE D 16 ? 0.8359 0.8713 0.8271 -0.1610 -0.0639 0.0029 895 ILE D N 4755 C CA . ILE D 16 ? 0.8201 0.8435 0.8086 -0.1661 -0.0695 0.0206 895 ILE D CA 4756 C C . ILE D 16 ? 0.8992 0.9022 0.8479 -0.2071 -0.0535 0.0312 895 ILE D C 4757 O O . ILE D 16 ? 0.9343 0.9661 0.8791 -0.2385 -0.0293 0.0090 895 ILE D O 4758 C CB . ILE D 16 ? 0.8414 0.9068 0.8816 -0.1500 -0.0743 -0.0016 895 ILE D CB 4759 C CG1 . ILE D 16 ? 0.8328 0.9198 0.9133 -0.1141 -0.0934 -0.0172 895 ILE D CG1 4760 C CG2 . ILE D 16 ? 0.8694 0.9160 0.9046 -0.1482 -0.0857 0.0172 895 ILE D CG2 4761 C CD1 . ILE D 16 ? 0.9734 1.0193 1.0328 -0.0918 -0.1191 0.0114 895 ILE D CD1 4762 N N . LEU D 17 ? 0.8403 0.7935 0.7600 -0.2088 -0.0687 0.0637 896 LEU D N 4763 C CA . LEU D 17 ? 0.8600 0.7714 0.7350 -0.2453 -0.0659 0.0837 896 LEU D CA 4764 C C . LEU D 17 ? 0.8842 0.7756 0.7700 -0.2508 -0.0717 0.0880 896 LEU D C 4765 O O . LEU D 17 ? 0.9475 0.8187 0.8064 -0.2900 -0.0622 0.0916 896 LEU D O 4766 C CB . LEU D 17 ? 0.8717 0.7328 0.7026 -0.2461 -0.0845 0.1166 896 LEU D CB 4767 C CG . LEU D 17 ? 0.9177 0.7926 0.7260 -0.2516 -0.0769 0.1119 896 LEU D CG 4768 C CD1 . LEU D 17 ? 0.9660 0.7969 0.7384 -0.2485 -0.1004 0.1440 896 LEU D CD1 4769 C CD2 . LEU D 17 ? 0.8860 0.7839 0.6655 -0.2958 -0.0489 0.0934 896 LEU D CD2 4770 N N . SER D 18 ? 0.7869 0.6809 0.7062 -0.2175 -0.0870 0.0871 897 SER D N 4771 C CA . SER D 18 ? 0.8109 0.6882 0.7459 -0.2197 -0.0926 0.0841 897 SER D CA 4772 C C . SER D 18 ? 0.8287 0.7470 0.8075 -0.1885 -0.0980 0.0661 897 SER D C 4773 O O . SER D 18 ? 0.7898 0.7462 0.7842 -0.1697 -0.0984 0.0581 897 SER D O 4774 C CB . SER D 18 ? 0.8833 0.6918 0.7953 -0.2198 -0.1145 0.1104 897 SER D CB 4775 O OG . SER D 18 ? 0.9609 0.7683 0.8888 -0.1847 -0.1325 0.1171 897 SER D OG 4776 N N . HIS D 19 ? 0.7828 0.6883 0.7774 -0.1855 -0.1049 0.0597 898 HIS D N 4777 C CA . HIS D 19 ? 0.7390 0.6807 0.7645 -0.1632 -0.1108 0.0431 898 HIS D CA 4778 C C . HIS D 19 ? 0.8696 0.8074 0.8937 -0.1378 -0.1246 0.0541 898 HIS D C 4779 O O . HIS D 19 ? 0.8965 0.8682 0.9350 -0.1247 -0.1288 0.0433 898 HIS D O 4780 C CB . HIS D 19 ? 0.7588 0.6857 0.7989 -0.1727 -0.1113 0.0278 898 HIS D CB 4781 C CG . HIS D 19 ? 0.8368 0.6998 0.8674 -0.1724 -0.1237 0.0398 898 HIS D CG 4782 N ND1 . HIS D 19 ? 0.9134 0.7188 0.9165 -0.1996 -0.1251 0.0560 898 HIS D ND1 4783 C CD2 . HIS D 19 ? 0.8682 0.7182 0.9150 -0.1484 -0.1379 0.0368 898 HIS D CD2 4784 C CE1 . HIS D 19 ? 0.9498 0.6990 0.9542 -0.1869 -0.1464 0.0658 898 HIS D CE1 4785 N NE2 . HIS D 19 ? 0.9244 0.7035 0.9613 -0.1534 -0.1535 0.0511 898 HIS D NE2 4786 N N . ASP D 20 ? 0.8221 0.7220 0.8264 -0.1354 -0.1324 0.0748 899 ASP D N 4787 C CA . ASP D 20 ? 0.7954 0.6986 0.8036 -0.1152 -0.1443 0.0815 899 ASP D CA 4788 C C . ASP D 20 ? 0.8416 0.7326 0.8243 -0.1149 -0.1485 0.1029 899 ASP D C 4789 O O . ASP D 20 ? 0.8368 0.7350 0.8222 -0.1021 -0.1578 0.1082 899 ASP D O 4790 C CB . ASP D 20 ? 0.8369 0.7118 0.8646 -0.1058 -0.1570 0.0756 899 ASP D CB 4791 C CG . ASP D 20 ? 1.0441 0.8558 1.0546 -0.1122 -0.1723 0.0967 899 ASP D CG 4792 O OD1 . ASP D 20 ? 1.0646 0.8440 1.0478 -0.1374 -0.1672 0.1079 899 ASP D OD1 4793 O OD2 . ASP D 20 ? 1.2729 1.0683 1.2983 -0.0943 -0.1915 0.1003 899 ASP D OD2 4794 N N . THR D 21 ? 0.8111 0.6910 0.7700 -0.1320 -0.1396 0.1103 900 THR D N 4795 C CA . THR D 21 ? 0.8235 0.6914 0.7540 -0.1367 -0.1416 0.1263 900 THR D CA 4796 C C . THR D 21 ? 0.8855 0.7805 0.8118 -0.1416 -0.1276 0.1155 900 THR D C 4797 O O . THR D 21 ? 0.9120 0.8239 0.8449 -0.1554 -0.1126 0.0998 900 THR D O 4798 C CB . THR D 21 ? 1.0415 0.8595 0.9392 -0.1560 -0.1502 0.1467 900 THR D CB 4799 O OG1 . THR D 21 ? 1.1302 0.9218 1.0448 -0.1410 -0.1712 0.1531 900 THR D OG1 4800 C CG2 . THR D 21 ? 1.1215 0.9289 0.9834 -0.1650 -0.1539 0.1628 900 THR D CG2 4801 N N . ILE D 22 ? 0.8160 0.7164 0.7359 -0.1305 -0.1336 0.1206 901 ILE D N 4802 C CA . ILE D 22 ? 0.7990 0.7149 0.7185 -0.1295 -0.1265 0.1086 901 ILE D CA 4803 C C . ILE D 22 ? 0.8686 0.7635 0.7563 -0.1363 -0.1305 0.1214 901 ILE D C 4804 O O . ILE D 22 ? 0.8419 0.7259 0.7228 -0.1287 -0.1447 0.1373 901 ILE D O 4805 C CB . ILE D 22 ? 0.7916 0.7289 0.7374 -0.1082 -0.1363 0.0996 901 ILE D CB 4806 C CG1 . ILE D 22 ? 0.7713 0.7351 0.7465 -0.1040 -0.1348 0.0855 901 ILE D CG1 4807 C CG2 . ILE D 22 ? 0.7910 0.7326 0.7429 -0.1018 -0.1358 0.0851 901 ILE D CG2 4808 C CD1 . ILE D 22 ? 0.7174 0.6979 0.7095 -0.0873 -0.1516 0.0826 901 ILE D CD1 4809 N N . ARG D 23 ? 0.8697 0.7663 0.7396 -0.1535 -0.1166 0.1103 902 ARG D N 4810 C CA . ARG D 23 ? 0.8861 0.7668 0.7227 -0.1638 -0.1190 0.1175 902 ARG D CA 4811 C C . ARG D 23 ? 0.9235 0.8130 0.7765 -0.1480 -0.1204 0.0999 902 ARG D C 4812 O O . ARG D 23 ? 0.9193 0.8305 0.8000 -0.1411 -0.1103 0.0714 902 ARG D O 4813 C CB . ARG D 23 ? 0.8855 0.7634 0.6844 -0.1983 -0.1025 0.1129 902 ARG D CB 4814 C CG . ARG D 23 ? 0.8935 0.7426 0.6438 -0.2157 -0.1151 0.1371 902 ARG D CG 4815 C CD . ARG D 23 ? 1.0891 0.9464 0.7981 -0.2530 -0.0946 0.1227 902 ARG D CD 4816 N NE . ARG D 23 ? 1.2336 1.0735 0.8967 -0.2689 -0.1052 0.1360 902 ARG D NE 4817 C CZ . ARG D 23 ? 1.3555 1.2107 0.9861 -0.2964 -0.0870 0.1141 902 ARG D CZ 4818 N NH1 . ARG D 23 ? 1.0455 0.9384 0.6904 -0.3100 -0.0555 0.0743 902 ARG D NH1 4819 N NH2 . ARG D 23 ? 1.2875 1.1268 0.8732 -0.3127 -0.0996 0.1277 902 ARG D NH2 4820 N N . ILE D 24 ? 0.8918 0.7636 0.7316 -0.1423 -0.1357 0.1149 903 ILE D N 4821 C CA . ILE D 24 ? 0.8989 0.7629 0.7466 -0.1311 -0.1423 0.1028 903 ILE D CA 4822 C C . ILE D 24 ? 1.0021 0.8559 0.8194 -0.1488 -0.1357 0.0940 903 ILE D C 4823 O O . ILE D 24 ? 1.0097 0.8551 0.7928 -0.1662 -0.1394 0.1130 903 ILE D O 4824 C CB . ILE D 24 ? 0.9153 0.7670 0.7664 -0.1197 -0.1628 0.1224 903 ILE D CB 4825 C CG1 . ILE D 24 ? 0.8850 0.7527 0.7595 -0.1079 -0.1675 0.1281 903 ILE D CG1 4826 C CG2 . ILE D 24 ? 0.9459 0.7732 0.7976 -0.1128 -0.1751 0.1144 903 ILE D CG2 4827 C CD1 . ILE D 24 ? 0.9403 0.8216 0.8458 -0.0945 -0.1647 0.1075 903 ILE D CD1 4828 N N . THR D 25 ? 0.9843 0.8410 0.8170 -0.1437 -0.1280 0.0617 904 THR D N 4829 C CA . THR D 25 ? 1.0166 0.8666 0.8231 -0.1609 -0.1197 0.0439 904 THR D CA 4830 C C . THR D 25 ? 1.0911 0.9159 0.9197 -0.1414 -0.1338 0.0263 904 THR D C 4831 O O . THR D 25 ? 1.0571 0.8761 0.9259 -0.1150 -0.1462 0.0183 904 THR D O 4832 C CB . THR D 25 ? 1.0361 0.9192 0.8386 -0.1813 -0.0907 0.0097 904 THR D CB 4833 O OG1 . THR D 25 ? 0.9907 0.8983 0.8506 -0.1582 -0.0836 -0.0283 904 THR D OG1 4834 C CG2 . THR D 25 ? 1.0148 0.9084 0.7813 -0.2101 -0.0805 0.0329 904 THR D CG2 4835 N N . TRP D 26 ? 1.1029 0.9079 0.9027 -0.1561 -0.1359 0.0216 905 TRP D N 4836 C CA . TRP D 26 ? 1.1423 0.9111 0.9560 -0.1432 -0.1508 0.0037 905 TRP D CA 4837 C C . TRP D 26 ? 1.2533 1.0182 1.0371 -0.1664 -0.1392 -0.0212 905 TRP D C 4838 O O . TRP D 26 ? 1.2555 1.0466 1.0012 -0.1950 -0.1221 -0.0188 905 TRP D O 4839 C CB . TRP D 26 ? 1.1214 0.8534 0.9235 -0.1398 -0.1785 0.0425 905 TRP D CB 4840 C CG . TRP D 26 ? 1.1168 0.8560 0.8776 -0.1653 -0.1797 0.0736 905 TRP D CG 4841 C CD1 . TRP D 26 ? 1.1775 0.9011 0.9071 -0.1865 -0.1844 0.0749 905 TRP D CD1 4842 C CD2 . TRP D 26 ? 1.0773 0.8451 0.8309 -0.1702 -0.1783 0.1026 905 TRP D CD2 4843 N NE1 . TRP D 26 ? 1.1479 0.8938 0.8547 -0.2028 -0.1882 0.1037 905 TRP D NE1 4844 C CE2 . TRP D 26 ? 1.1226 0.8933 0.8461 -0.1909 -0.1855 0.1202 905 TRP D CE2 4845 C CE3 . TRP D 26 ? 1.0591 0.8491 0.8333 -0.1575 -0.1744 0.1129 905 TRP D CE3 4846 C CZ2 . TRP D 26 ? 1.0818 0.8775 0.8028 -0.1945 -0.1914 0.1453 905 TRP D CZ2 4847 C CZ3 . TRP D 26 ? 1.0475 0.8559 0.8142 -0.1634 -0.1781 0.1377 905 TRP D CZ3 4848 C CH2 . TRP D 26 ? 1.0600 0.8714 0.8036 -0.1794 -0.1876 0.1526 905 TRP D CH2 4849 N N . ALA D 27 ? 1.2661 0.9924 1.0637 -0.1562 -0.1521 -0.0440 906 ALA D N 4850 C CA . ALA D 27 ? 1.3107 1.0240 1.0842 -0.1762 -0.1451 -0.0735 906 ALA D CA 4851 C C . ALA D 27 ? 1.4137 1.0704 1.1673 -0.1809 -0.1736 -0.0465 906 ALA D C 4852 O O . ALA D 27 ? 1.3991 1.0206 1.1699 -0.1629 -0.1978 -0.0223 906 ALA D O 4853 C CB . ALA D 27 ? 1.3496 1.0661 1.1714 -0.1566 -0.1347 -0.1384 906 ALA D CB 4854 N N . ASP D 28 ? 1.4285 1.0794 1.1405 -0.2111 -0.1709 -0.0490 907 ASP D N 4855 C CA . ASP D 28 ? 1.4683 1.0714 1.1582 -0.2250 -0.1940 -0.0297 907 ASP D CA 4856 C C . ASP D 28 ? 1.5819 1.1527 1.2708 -0.2323 -0.1912 -0.0793 907 ASP D C 4857 O O . ASP D 28 ? 1.5852 1.1892 1.2492 -0.2551 -0.1700 -0.1070 907 ASP D O 4858 C CB . ASP D 28 ? 1.4750 1.1078 1.1217 -0.2557 -0.1960 0.0091 907 ASP D CB 4859 C CG . ASP D 28 ? 1.6928 1.2931 1.3181 -0.2772 -0.2169 0.0305 907 ASP D CG 4860 O OD1 . ASP D 28 ? 1.7578 1.2980 1.3915 -0.2728 -0.2322 0.0208 907 ASP D OD1 4861 O OD2 . ASP D 28 ? 1.7530 1.3869 1.3554 -0.2991 -0.2204 0.0564 907 ASP D OD2 4862 N N . ASN D 29 ? 1.5961 1.0998 1.3109 -0.2139 -0.2144 -0.0923 908 ASN D N 4863 C CA . ASN D 29 ? 1.6735 1.1368 1.3972 -0.2155 -0.2155 -0.1455 908 ASN D CA 4864 C C . ASN D 29 ? 1.7773 1.2259 1.4484 -0.2582 -0.2164 -0.1430 908 ASN D C 4865 O O . ASN D 29 ? 1.7987 1.2500 1.4647 -0.2705 -0.2018 -0.1940 908 ASN D O 4866 C CB . ASN D 29 ? 1.7335 1.1196 1.5058 -0.1787 -0.2468 -0.1623 908 ASN D CB 4867 C CG . ASN D 29 ? 1.7558 1.1717 1.5956 -0.1342 -0.2402 -0.1990 908 ASN D CG 4868 O OD1 . ASN D 29 ? 1.4508 0.9458 1.3025 -0.1355 -0.2044 -0.2283 908 ASN D OD1 4869 N ND2 . ASN D 29 ? 1.6459 0.9988 1.5302 -0.0971 -0.2771 -0.1980 908 ASN D ND2 4870 N N . SER D 30 ? 1.7546 1.2008 1.3884 -0.2836 -0.2304 -0.0883 909 SER D N 4871 C CA . SER D 30 ? 1.7942 1.2403 1.3808 -0.3272 -0.2339 -0.0791 909 SER D CA 4872 C C . SER D 30 ? 1.8947 1.4158 1.4484 -0.3518 -0.2109 -0.0868 909 SER D C 4873 O O . SER D 30 ? 1.9107 1.4492 1.4270 -0.3867 -0.2166 -0.0722 909 SER D O 4874 C CB . SER D 30 ? 1.8235 1.2574 1.3916 -0.3461 -0.2548 -0.0241 909 SER D CB 4875 O OG . SER D 30 ? 1.9387 1.3905 1.5269 -0.3238 -0.2589 0.0124 909 SER D OG 4876 N N . LEU D 31 ? 1.8796 1.4442 1.4452 -0.3371 -0.1874 -0.1102 910 LEU D N 4877 C CA . LEU D 31 ? 1.8958 1.5228 1.4223 -0.3635 -0.1667 -0.1180 910 LEU D CA 4878 C C . LEU D 31 ? 2.0427 1.6784 1.5756 -0.3661 -0.1400 -0.1881 910 LEU D C 4879 O O . LEU D 31 ? 2.0503 1.6593 1.6371 -0.3322 -0.1368 -0.2235 910 LEU D O 4880 C CB . LEU D 31 ? 1.8364 1.5092 1.3683 -0.3501 -0.1595 -0.0835 910 LEU D CB 4881 C CG . LEU D 31 ? 1.8466 1.5336 1.3750 -0.3479 -0.1795 -0.0229 910 LEU D CG 4882 C CD1 . LEU D 31 ? 1.7990 1.5220 1.3356 -0.3337 -0.1698 -0.0025 910 LEU D CD1 4883 C CD2 . LEU D 31 ? 1.8896 1.5980 1.3744 -0.3830 -0.1944 -0.0017 910 LEU D CD2 4884 N N . PRO D 32 ? 2.0639 1.7432 1.5462 -0.4049 -0.1206 -0.2119 911 PRO D N 4885 C CA . PRO D 32 ? 2.1194 1.8205 1.6105 -0.4112 -0.0888 -0.2871 911 PRO D CA 4886 C C . PRO D 32 ? 2.1547 1.9000 1.6803 -0.3910 -0.0631 -0.3049 911 PRO D C 4887 O O . PRO D 32 ? 2.0874 1.8455 1.6165 -0.3783 -0.0700 -0.2537 911 PRO D O 4888 C CB . PRO D 32 ? 2.1896 1.9286 1.6020 -0.4681 -0.0781 -0.2969 911 PRO D CB 4889 C CG . PRO D 32 ? 2.2233 1.9478 1.5988 -0.4843 -0.1119 -0.2316 911 PRO D CG 4890 C CD . PRO D 32 ? 2.0919 1.8046 1.5071 -0.4467 -0.1289 -0.1758 911 PRO D CD 4891 N N . LYS D 33 ? 2.1696 1.9420 1.7263 -0.3884 -0.0326 -0.3830 912 LYS D N 4892 C CA . LYS D 33 ? 2.1526 1.9789 1.7520 -0.3729 -0.0035 -0.4165 912 LYS D CA 4893 C C . LYS D 33 ? 2.1892 2.0703 1.7325 -0.4070 0.0127 -0.3732 912 LYS D C 4894 O O . LYS D 33 ? 2.1428 2.0515 1.7244 -0.3873 0.0237 -0.3703 912 LYS D O 4895 C CB . LYS D 33 ? 2.2422 2.1064 1.8767 -0.3776 0.0312 -0.5183 912 LYS D CB 4896 C CG . LYS D 33 ? 2.2974 2.1565 2.0426 -0.3178 0.0305 -0.5721 912 LYS D CG 4897 C CD . LYS D 33 ? 2.4590 2.3631 2.2462 -0.3223 0.0648 -0.6830 912 LYS D CD 4898 C CE . LYS D 33 ? 2.5253 2.4022 2.4328 -0.2546 0.0489 -0.7431 912 LYS D CE 4899 N NZ . LYS D 33 ? 2.6263 2.5437 2.5815 -0.2566 0.0794 -0.8592 912 LYS D NZ 4900 N N . HIS D 34 ? 2.1839 2.0758 1.6366 -0.4586 0.0095 -0.3383 913 HIS D N 4901 C CA . HIS D 34 ? 2.1773 2.1025 1.5641 -0.4956 0.0138 -0.2887 913 HIS D CA 4902 C C . HIS D 34 ? 2.1265 2.0225 1.5307 -0.4644 -0.0173 -0.2120 913 HIS D C 4903 O O . HIS D 34 ? 2.1112 2.0259 1.4828 -0.4821 -0.0152 -0.1750 913 HIS D O 4904 C CB . HIS D 34 ? 2.2605 2.1985 1.5458 -0.5579 0.0099 -0.2737 913 HIS D CB 4905 C CG . HIS D 34 ? 2.3150 2.2119 1.5821 -0.5574 -0.0250 -0.2478 913 HIS D CG 4906 N ND1 . HIS D 34 ? 2.4061 2.3084 1.6350 -0.5920 -0.0176 -0.2924 913 HIS D ND1 4907 C CD2 . HIS D 34 ? 2.2914 2.1505 1.5722 -0.5323 -0.0645 -0.1862 913 HIS D CD2 4908 C CE1 . HIS D 34 ? 2.3898 2.2554 1.6110 -0.5868 -0.0541 -0.2541 913 HIS D CE1 4909 N NE2 . HIS D 34 ? 2.3260 2.1686 1.5791 -0.5519 -0.0820 -0.1911 913 HIS D NE2 4910 N N . GLN D 35 ? 2.0153 1.8637 1.4692 -0.4215 -0.0458 -0.1913 914 GLN D N 4911 C CA . GLN D 35 ? 1.9265 1.7489 1.4082 -0.3884 -0.0740 -0.1303 914 GLN D CA 4912 C C . GLN D 35 ? 1.9118 1.7375 1.3384 -0.4114 -0.0972 -0.0665 914 GLN D C 4913 O O . GLN D 35 ? 1.8515 1.6852 1.2791 -0.4045 -0.1020 -0.0300 914 GLN D O 4914 C CB . GLN D 35 ? 1.8988 1.7324 1.4414 -0.3528 -0.0620 -0.1384 914 GLN D CB 4915 C CG . GLN D 35 ? 2.1075 1.9230 1.7233 -0.3137 -0.0584 -0.1898 914 GLN D CG 4916 C CD . GLN D 35 ? 2.3625 2.1181 2.0059 -0.2835 -0.0929 -0.1622 914 GLN D CD 4917 O OE1 . GLN D 35 ? 2.2466 1.9879 1.9122 -0.2595 -0.1108 -0.1203 914 GLN D OE1 4918 N NE2 . GLN D 35 ? 2.3564 2.0751 1.9957 -0.2886 -0.1022 -0.1872 914 GLN D NE2 4919 N N . LYS D 36 ? 1.8862 1.7046 1.2692 -0.4376 -0.1151 -0.0563 915 LYS D N 4920 C CA . LYS D 36 ? 1.8774 1.7013 1.2135 -0.4581 -0.1449 -0.0024 915 LYS D CA 4921 C C . LYS D 36 ? 1.8755 1.6836 1.2318 -0.4452 -0.1768 0.0240 915 LYS D C 4922 O O . LYS D 36 ? 1.9066 1.7040 1.2565 -0.4583 -0.1782 -0.0016 915 LYS D O 4923 C CB . LYS D 36 ? 1.9731 1.8189 1.2252 -0.5134 -0.1399 -0.0112 915 LYS D CB 4924 C CG . LYS D 36 ? 2.0047 1.8704 1.2179 -0.5382 -0.1193 -0.0091 915 LYS D CG 4925 C CD . LYS D 36 ? 2.1150 2.0102 1.2700 -0.5891 -0.0870 -0.0600 915 LYS D CD 4926 C CE . LYS D 36 ? 2.1581 2.0708 1.2414 -0.6349 -0.0787 -0.0383 915 LYS D CE 4927 N NZ . LYS D 36 ? 2.2809 2.2162 1.2661 -0.7031 -0.0716 -0.0543 915 LYS D NZ 4928 N N . ILE D 37 ? 1.7495 1.5600 1.1320 -0.4224 -0.2012 0.0710 916 ILE D N 4929 C CA . ILE D 37 ? 1.7061 1.5193 1.1128 -0.4139 -0.2296 0.0952 916 ILE D CA 4930 C C . ILE D 37 ? 1.7401 1.5753 1.1000 -0.4458 -0.2577 0.1131 916 ILE D C 4931 O O . ILE D 37 ? 1.7605 1.6064 1.0879 -0.4559 -0.2751 0.1406 916 ILE D O 4932 C CB . ILE D 37 ? 1.6782 1.4961 1.1410 -0.3776 -0.2412 0.1252 916 ILE D CB 4933 C CG1 . ILE D 37 ? 1.6515 1.4484 1.1540 -0.3490 -0.2182 0.1097 916 ILE D CG1 4934 C CG2 . ILE D 37 ? 1.6539 1.4867 1.1439 -0.3771 -0.2628 0.1373 916 ILE D CG2 4935 C CD1 . ILE D 37 ? 1.7174 1.5197 1.2243 -0.3358 -0.2067 0.1179 916 ILE D CD1 4936 N N . THR D 38 ? 1.6356 1.4728 0.9910 -0.4633 -0.2655 0.0979 917 THR D N 4937 C CA . THR D 38 ? 1.6359 1.4980 0.9525 -0.4944 -0.2935 0.1087 917 THR D CA 4938 C C . THR D 38 ? 1.5868 1.4731 0.9492 -0.4856 -0.3188 0.1241 917 THR D C 4939 O O . THR D 38 ? 1.6107 1.5309 0.9626 -0.4996 -0.3516 0.1417 917 THR D O 4940 C CB . THR D 38 ? 1.7693 1.6221 1.0314 -0.5337 -0.2761 0.0675 917 THR D CB 4941 O OG1 . THR D 38 ? 1.7053 1.5262 0.9982 -0.5245 -0.2516 0.0290 917 THR D OG1 4942 C CG2 . THR D 38 ? 1.7753 1.6285 0.9804 -0.5555 -0.2563 0.0556 917 THR D CG2 4943 N N . ASP D 39 ? 1.4424 1.3153 0.8552 -0.4650 -0.3056 0.1174 918 ASP D N 4944 C CA . ASP D 39 ? 1.3917 1.2934 0.8457 -0.4657 -0.3217 0.1261 918 ASP D CA 4945 C C . ASP D 39 ? 1.3674 1.2993 0.8790 -0.4329 -0.3299 0.1501 918 ASP D C 4946 O O . ASP D 39 ? 1.3610 1.2885 0.8800 -0.4071 -0.3292 0.1652 918 ASP D O 4947 C CB . ASP D 39 ? 1.4232 1.2898 0.8780 -0.4839 -0.3066 0.1012 918 ASP D CB 4948 C CG . ASP D 39 ? 1.4365 1.2464 0.9045 -0.4627 -0.2822 0.0895 918 ASP D CG 4949 O OD1 . ASP D 39 ? 1.3746 1.1887 0.8766 -0.4331 -0.2782 0.1075 918 ASP D OD1 4950 O OD2 . ASP D 39 ? 1.5136 1.2747 0.9624 -0.4753 -0.2708 0.0606 918 ASP D OD2 4951 N N . SER D 40 ? 1.2662 1.2310 0.8172 -0.4386 -0.3358 0.1497 919 SER D N 4952 C CA . SER D 40 ? 1.1878 1.1958 0.7984 -0.4152 -0.3399 0.1615 919 SER D CA 4953 C C . SER D 40 ? 1.1669 1.1415 0.7935 -0.3967 -0.3148 0.1624 919 SER D C 4954 O O . SER D 40 ? 1.1433 1.1559 0.8145 -0.3834 -0.3139 0.1673 919 SER D O 4955 C CB . SER D 40 ? 1.2252 1.2954 0.8681 -0.4387 -0.3525 0.1537 919 SER D CB 4956 O OG . SER D 40 ? 1.3247 1.3684 0.9522 -0.4703 -0.3345 0.1419 919 SER D OG 4957 N N . ARG D 41 ? 1.1140 1.0234 0.7084 -0.3957 -0.2960 0.1543 920 ARG D N 4958 C CA . ARG D 41 ? 1.0877 0.9645 0.6979 -0.3762 -0.2791 0.1570 920 ARG D CA 4959 C C . ARG D 41 ? 1.0936 0.9895 0.7330 -0.3412 -0.2767 0.1698 920 ARG D C 4960 O O . ARG D 41 ? 1.1124 1.0184 0.7457 -0.3301 -0.2844 0.1759 920 ARG D O 4961 C CB . ARG D 41 ? 1.1087 0.9138 0.6911 -0.3767 -0.2652 0.1406 920 ARG D CB 4962 C CG . ARG D 41 ? 1.1183 0.9064 0.6889 -0.3567 -0.2538 0.1308 920 ARG D CG 4963 C CD . ARG D 41 ? 1.2427 0.9751 0.7978 -0.3575 -0.2412 0.1021 920 ARG D CD 4964 N NE . ARG D 41 ? 1.3897 1.1030 0.9161 -0.3889 -0.2462 0.0828 920 ARG D NE 4965 C CZ . ARG D 41 ? 1.6196 1.2767 1.1389 -0.3931 -0.2416 0.0540 920 ARG D CZ 4966 N NH1 . ARG D 41 ? 1.4112 1.0281 0.9542 -0.3646 -0.2348 0.0416 920 ARG D NH1 4967 N NH2 . ARG D 41 ? 1.4935 1.1333 0.9862 -0.4245 -0.2470 0.0352 920 ARG D NH2 4968 N N . TYR D 42 ? 1.0194 0.9159 0.6842 -0.3286 -0.2679 0.1748 921 TYR D N 4969 C CA . TYR D 42 ? 0.9879 0.8972 0.6812 -0.2975 -0.2631 0.1827 921 TYR D CA 4970 C C . TYR D 42 ? 1.0657 0.9382 0.7590 -0.2886 -0.2495 0.1824 921 TYR D C 4971 O O . TYR D 42 ? 1.1063 0.9554 0.7862 -0.3082 -0.2490 0.1820 921 TYR D O 4972 C CB . TYR D 42 ? 0.9721 0.9476 0.7108 -0.2890 -0.2732 0.1863 921 TYR D CB 4973 C CG . TYR D 42 ? 0.9854 0.9966 0.7448 -0.3063 -0.2666 0.1813 921 TYR D CG 4974 C CD1 . TYR D 42 ? 1.0213 1.0707 0.7830 -0.3380 -0.2729 0.1742 921 TYR D CD1 4975 C CD2 . TYR D 42 ? 0.9787 0.9961 0.7556 -0.2956 -0.2540 0.1820 921 TYR D CD2 4976 C CE1 . TYR D 42 ? 0.9965 1.0881 0.7733 -0.3632 -0.2637 0.1677 921 TYR D CE1 4977 C CE2 . TYR D 42 ? 0.9855 1.0436 0.7735 -0.3201 -0.2462 0.1766 921 TYR D CE2 4978 C CZ . TYR D 42 ? 1.0558 1.1530 0.8437 -0.3554 -0.2499 0.1691 921 TYR D CZ 4979 O OH . TYR D 42 ? 1.1364 1.2809 0.9302 -0.3893 -0.2390 0.1617 921 TYR D OH 4980 N N . TYR D 43 ? 0.9994 0.8631 0.7050 -0.2618 -0.2419 0.1841 922 TYR D N 4981 C CA . TYR D 43 ? 0.9955 0.8294 0.7060 -0.2489 -0.2332 0.1836 922 TYR D CA 4982 C C . TYR D 43 ? 1.0472 0.9182 0.7873 -0.2376 -0.2311 0.1907 922 TYR D C 4983 O O . TYR D 43 ? 1.0177 0.9276 0.7822 -0.2261 -0.2335 0.1916 922 TYR D O 4984 C CB . TYR D 43 ? 1.0074 0.8122 0.7142 -0.2301 -0.2238 0.1730 922 TYR D CB 4985 C CG . TYR D 43 ? 1.0777 0.8563 0.7571 -0.2429 -0.2214 0.1568 922 TYR D CG 4986 C CD1 . TYR D 43 ? 1.1363 0.8702 0.8053 -0.2491 -0.2234 0.1425 922 TYR D CD1 4987 C CD2 . TYR D 43 ? 1.0847 0.8800 0.7451 -0.2516 -0.2203 0.1549 922 TYR D CD2 4988 C CE1 . TYR D 43 ? 1.1752 0.8884 0.8225 -0.2617 -0.2195 0.1195 922 TYR D CE1 4989 C CE2 . TYR D 43 ? 1.1295 0.9074 0.7591 -0.2692 -0.2156 0.1357 922 TYR D CE2 4990 C CZ . TYR D 43 ? 1.2481 0.9884 0.8746 -0.2733 -0.2130 0.1144 922 TYR D CZ 4991 O OH . TYR D 43 ? 1.3252 1.0512 0.9254 -0.2905 -0.2063 0.0873 922 TYR D OH 4992 N N . THR D 44 ? 1.0329 0.8885 0.7698 -0.2414 -0.2295 0.1949 923 THR D N 4993 C CA . THR D 44 ? 1.0036 0.8954 0.7627 -0.2352 -0.2248 0.1976 923 THR D CA 4994 C C . THR D 44 ? 1.0591 0.9184 0.8188 -0.2150 -0.2226 0.1986 923 THR D C 4995 O O . THR D 44 ? 1.0822 0.8933 0.8218 -0.2183 -0.2304 0.2024 923 THR D O 4996 C CB . THR D 44 ? 1.1042 1.0246 0.8545 -0.2676 -0.2254 0.2014 923 THR D CB 4997 O OG1 . THR D 44 ? 1.1489 1.1039 0.9049 -0.2855 -0.2284 0.1956 923 THR D OG1 4998 C CG2 . THR D 44 ? 1.0757 1.0495 0.8508 -0.2653 -0.2164 0.1959 923 THR D CG2 4999 N N . VAL D 45 ? 0.9965 0.8792 0.7827 -0.1929 -0.2154 0.1935 924 VAL D N 5000 C CA . VAL D 45 ? 0.9879 0.8530 0.7819 -0.1743 -0.2127 0.1910 924 VAL D CA 5001 C C . VAL D 45 ? 1.0186 0.9140 0.8195 -0.1801 -0.2117 0.1940 924 VAL D C 5002 O O . VAL D 45 ? 0.9958 0.9384 0.8153 -0.1844 -0.2057 0.1880 924 VAL D O 5003 C CB . VAL D 45 ? 1.0205 0.8916 0.8336 -0.1544 -0.2038 0.1825 924 VAL D CB 5004 C CG1 . VAL D 45 ? 1.0086 0.8706 0.8348 -0.1383 -0.1997 0.1755 924 VAL D CG1 5005 C CG2 . VAL D 45 ? 1.0378 0.8888 0.8343 -0.1585 -0.2024 0.1787 924 VAL D CG2 5006 N N . ARG D 46 ? 0.9651 0.8361 0.7533 -0.1799 -0.2197 0.2001 925 ARG D N 5007 C CA . ARG D 46 ? 0.9354 0.8345 0.7204 -0.1903 -0.2193 0.2029 925 ARG D CA 5008 C C . ARG D 46 ? 0.9563 0.8446 0.7538 -0.1690 -0.2235 0.1995 925 ARG D C 5009 O O . ARG D 46 ? 0.9669 0.8170 0.7687 -0.1518 -0.2330 0.1986 925 ARG D O 5010 C CB . ARG D 46 ? 0.9748 0.8599 0.7172 -0.2260 -0.2308 0.2199 925 ARG D CB 5011 C CG . ARG D 46 ? 1.0514 0.8644 0.7658 -0.2247 -0.2557 0.2365 925 ARG D CG 5012 C CD . ARG D 46 ? 1.0070 0.7985 0.6697 -0.2657 -0.2715 0.2595 925 ARG D CD 5013 N NE . ARG D 46 ? 1.0991 0.8095 0.7390 -0.2589 -0.3046 0.2771 925 ARG D NE 5014 C CZ . ARG D 46 ? 1.2853 0.9465 0.8705 -0.2931 -0.3312 0.3054 925 ARG D CZ 5015 N NH1 . ARG D 46 ? 1.0026 0.6968 0.5449 -0.3439 -0.3219 0.3177 925 ARG D NH1 5016 N NH2 . ARG D 46 ? 1.1692 0.7476 0.7424 -0.2789 -0.3689 0.3201 925 ARG D NH2 5017 N N . TRP D 47 ? 0.8919 0.8204 0.7006 -0.1704 -0.2159 0.1923 926 TRP D N 5018 C CA . TRP D 47 ? 0.8872 0.8166 0.7097 -0.1541 -0.2195 0.1866 926 TRP D CA 5019 C C . TRP D 47 ? 0.9695 0.9371 0.7810 -0.1721 -0.2174 0.1841 926 TRP D C 5020 O O . TRP D 47 ? 0.9509 0.9614 0.7633 -0.1898 -0.2034 0.1747 926 TRP D O 5021 C CB . TRP D 47 ? 0.8323 0.7723 0.6935 -0.1296 -0.2049 0.1690 926 TRP D CB 5022 C CG . TRP D 47 ? 0.8110 0.7874 0.6942 -0.1294 -0.1896 0.1563 926 TRP D CG 5023 C CD1 . TRP D 47 ? 0.8312 0.8407 0.7349 -0.1270 -0.1816 0.1406 926 TRP D CD1 5024 C CD2 . TRP D 47 ? 0.8017 0.7852 0.6922 -0.1309 -0.1857 0.1557 926 TRP D CD2 5025 N NE1 . TRP D 47 ? 0.8082 0.8411 0.7369 -0.1233 -0.1739 0.1281 926 TRP D NE1 5026 C CE2 . TRP D 47 ? 0.8340 0.8528 0.7559 -0.1247 -0.1784 0.1387 926 TRP D CE2 5027 C CE3 . TRP D 47 ? 0.8278 0.7912 0.7039 -0.1360 -0.1904 0.1657 926 TRP D CE3 5028 C CZ2 . TRP D 47 ? 0.8162 0.8477 0.7606 -0.1185 -0.1804 0.1332 926 TRP D CZ2 5029 C CZ3 . TRP D 47 ? 0.8329 0.8146 0.7248 -0.1349 -0.1903 0.1620 926 TRP D CZ3 5030 C CH2 . TRP D 47 ? 0.8241 0.8392 0.7519 -0.1244 -0.1876 0.1468 926 TRP D CH2 5031 N N . LYS D 48 ? 0.9780 0.9362 0.7829 -0.1677 -0.2318 0.1881 927 LYS D N 5032 C CA . LYS D 48 ? 1.0121 1.0050 0.7999 -0.1867 -0.2328 0.1852 927 LYS D CA 5033 C C . LYS D 48 ? 1.1106 1.0961 0.9159 -0.1658 -0.2465 0.1812 927 LYS D C 5034 O O . LYS D 48 ? 1.1239 1.0722 0.9435 -0.1434 -0.2629 0.1865 927 LYS D O 5035 C CB . LYS D 48 ? 1.1017 1.0826 0.8277 -0.2274 -0.2495 0.2099 927 LYS D CB 5036 C CG . LYS D 48 ? 1.0861 1.0022 0.7772 -0.2278 -0.2897 0.2402 927 LYS D CG 5037 C CD . LYS D 48 ? 1.1083 1.0091 0.7258 -0.2783 -0.3077 0.2687 927 LYS D CD 5038 C CE . LYS D 48 ? 1.3269 1.1685 0.9073 -0.2796 -0.3561 0.2993 927 LYS D CE 5039 N NZ . LYS D 48 ? 1.4785 1.3584 1.0406 -0.2928 -0.3638 0.2973 927 LYS D NZ 5040 N N . THR D 49 ? 1.0822 1.1093 0.8914 -0.1736 -0.2394 0.1664 928 THR D N 5041 C CA . THR D 49 ? 1.0909 1.1195 0.9158 -0.1587 -0.2545 0.1614 928 THR D CA 5042 C C . THR D 49 ? 1.2612 1.2585 1.0424 -0.1712 -0.2941 0.1899 928 THR D C 5043 O O . THR D 49 ? 1.2777 1.2725 1.0028 -0.2070 -0.3031 0.2093 928 THR D O 5044 C CB . THR D 49 ? 1.0990 1.1788 0.9405 -0.1651 -0.2360 0.1347 928 THR D CB 5045 O OG1 . THR D 49 ? 1.1125 1.1950 0.9731 -0.1508 -0.2518 0.1292 928 THR D OG1 5046 C CG2 . THR D 49 ? 1.1336 1.2516 0.9349 -0.2020 -0.2295 0.1313 928 THR D CG2 5047 N N . ASN D 50 ? 1.2854 1.2600 1.0933 -0.1436 -0.3199 0.1913 929 ASN D N 5048 C CA . ASN D 50 ? 1.3654 1.3007 1.1457 -0.1440 -0.3691 0.2174 929 ASN D CA 5049 C C . ASN D 50 ? 1.4552 1.4122 1.1770 -0.1822 -0.3859 0.2330 929 ASN D C 5050 O O . ASN D 50 ? 1.5234 1.4398 1.1827 -0.2092 -0.4198 0.2678 929 ASN D O 5051 C CB . ASN D 50 ? 1.4478 1.3838 1.2910 -0.1024 -0.3873 0.1993 929 ASN D CB 5052 C CG . ASN D 50 ? 2.1375 2.0130 1.9848 -0.0806 -0.4363 0.2171 929 ASN D CG 5053 O OD1 . ASN D 50 ? 2.1576 1.9875 2.0053 -0.0723 -0.4371 0.2227 929 ASN D OD1 5054 N ND2 . ASN D 50 ? 2.1097 1.9834 1.9663 -0.0683 -0.4810 0.2229 929 ASN D ND2 5055 N N . ILE D 51 ? 1.3641 1.3831 1.1028 -0.1886 -0.3611 0.2057 930 ILE D N 5056 C CA . ILE D 51 ? 1.3811 1.4399 1.0751 -0.2243 -0.3668 0.2054 930 ILE D CA 5057 C C . ILE D 51 ? 1.3654 1.4876 1.0743 -0.2402 -0.3148 0.1677 930 ILE D C 5058 O O . ILE D 51 ? 1.2938 1.4333 1.0641 -0.2122 -0.2880 0.1382 930 ILE D O 5059 C CB . ILE D 51 ? 1.4260 1.4947 1.1424 -0.2058 -0.4018 0.2022 930 ILE D CB 5060 C CG1 . ILE D 51 ? 1.5096 1.5145 1.2111 -0.1902 -0.4630 0.2387 930 ILE D CG1 5061 C CG2 . ILE D 51 ? 1.4310 1.5526 1.1119 -0.2402 -0.4005 0.1912 930 ILE D CG2 5062 C CD1 . ILE D 51 ? 1.6519 1.6390 1.4333 -0.1366 -0.4746 0.2233 930 ILE D CD1 5063 N N . PRO D 52 ? 1.3398 1.4981 0.9955 -0.2862 -0.3011 0.1646 931 PRO D N 5064 C CA . PRO D 52 ? 1.4229 1.5667 0.9902 -0.3353 -0.3280 0.1995 931 PRO D CA 5065 C C . PRO D 52 ? 1.5435 1.6225 1.0806 -0.3398 -0.3466 0.2375 931 PRO D C 5066 O O . PRO D 52 ? 1.4938 1.5608 1.0728 -0.3162 -0.3241 0.2283 931 PRO D O 5067 C CB . PRO D 52 ? 1.4396 1.6583 0.9795 -0.3811 -0.2889 0.1676 931 PRO D CB 5068 C CG . PRO D 52 ? 1.4061 1.6589 1.0257 -0.3488 -0.2439 0.1229 931 PRO D CG 5069 C CD . PRO D 52 ? 1.3041 1.5252 0.9874 -0.2953 -0.2547 0.1197 931 PRO D CD 5070 N N . ALA D 53 ? 1.6129 1.6437 1.0743 -0.3715 -0.3925 0.2820 932 ALA D N 5071 C CA . ALA D 53 ? 1.6655 1.6204 1.0858 -0.3832 -0.4195 0.3229 932 ALA D CA 5072 C C . ALA D 53 ? 1.6979 1.6789 1.0876 -0.4263 -0.3800 0.3174 932 ALA D C 5073 O O . ALA D 53 ? 1.7192 1.6505 1.1095 -0.4213 -0.3840 0.3339 932 ALA D O 5074 C CB . ALA D 53 ? 1.7933 1.6866 1.1307 -0.4144 -0.4831 0.3736 932 ALA D CB 5075 N N . ASN D 54 ? 1.6083 1.6744 0.9800 -0.4667 -0.3405 0.2871 933 ASN D N 5076 C CA . ASN D 54 ? 1.5978 1.7178 0.9494 -0.5123 -0.2988 0.2688 933 ASN D CA 5077 C C . ASN D 54 ? 1.5277 1.6894 0.9690 -0.4731 -0.2545 0.2262 933 ASN D C 5078 O O . ASN D 54 ? 1.5076 1.7258 0.9470 -0.5058 -0.2208 0.2038 933 ASN D O 5079 C CB . ASN D 54 ? 1.6574 1.8619 0.9599 -0.5711 -0.2754 0.2443 933 ASN D CB 5080 C CG . ASN D 54 ? 1.9581 2.2324 1.3291 -0.5385 -0.2466 0.1906 933 ASN D CG 5081 O OD1 . ASN D 54 ? 1.7872 2.1168 1.2331 -0.5132 -0.2043 0.1421 933 ASN D OD1 5082 N ND2 . ASN D 54 ? 1.9090 2.1790 1.2557 -0.5393 -0.2728 0.1981 933 ASN D ND2 5083 N N . THR D 55 ? 1.4026 1.5417 0.9205 -0.4076 -0.2557 0.2137 934 THR D N 5084 C CA . THR D 55 ? 1.3113 1.4803 0.9071 -0.3711 -0.2218 0.1789 934 THR D CA 5085 C C . THR D 55 ? 1.3717 1.5200 0.9643 -0.3792 -0.2166 0.1913 934 THR D C 5086 O O . THR D 55 ? 1.4416 1.5161 1.0079 -0.3748 -0.2455 0.2277 934 THR D O 5087 C CB . THR D 55 ? 1.2816 1.4285 0.9434 -0.3119 -0.2258 0.1669 934 THR D CB 5088 O OG1 . THR D 55 ? 1.1047 1.2985 0.7790 -0.3131 -0.2165 0.1393 934 THR D OG1 5089 C CG2 . THR D 55 ? 1.2147 1.3659 0.9433 -0.2754 -0.2023 0.1453 934 THR D CG2 5090 N N . LYS D 56 ? 1.2517 1.4667 0.8763 -0.3899 -0.1821 0.1574 935 LYS D N 5091 C CA . LYS D 56 ? 1.2257 1.4358 0.8556 -0.3986 -0.1752 0.1628 935 LYS D CA 5092 C C . LYS D 56 ? 1.1398 1.3065 0.8282 -0.3414 -0.1803 0.1635 935 LYS D C 5093 O O . LYS D 56 ? 1.1042 1.2800 0.8453 -0.3009 -0.1733 0.1424 935 LYS D O 5094 C CB . LYS D 56 ? 1.2685 1.5772 0.9192 -0.4306 -0.1393 0.1212 935 LYS D CB 5095 C CG . LYS D 56 ? 1.5900 1.9716 1.3126 -0.4023 -0.1133 0.0668 935 LYS D CG 5096 C CD . LYS D 56 ? 1.7874 2.2730 1.5459 -0.4284 -0.0800 0.0170 935 LYS D CD 5097 C CE . LYS D 56 ? 1.8566 2.3940 1.7098 -0.3816 -0.0628 -0.0381 935 LYS D CE 5098 N NZ . LYS D 56 ? 1.8858 2.5257 1.7958 -0.3947 -0.0355 -0.0926 935 LYS D NZ 5099 N N . TYR D 57 ? 1.0288 1.1446 0.7017 -0.3427 -0.1934 0.1882 936 TYR D N 5100 C CA . TYR D 57 ? 0.9535 1.0315 0.6709 -0.2969 -0.1972 0.1881 936 TYR D CA 5101 C C . TYR D 57 ? 0.9858 1.1208 0.7637 -0.2788 -0.1742 0.1553 936 TYR D C 5102 O O . TYR D 57 ? 0.9988 1.1958 0.7847 -0.3049 -0.1581 0.1360 936 TYR D O 5103 C CB . TYR D 57 ? 0.9779 0.9927 0.6628 -0.3075 -0.2154 0.2163 936 TYR D CB 5104 C CG . TYR D 57 ? 1.0067 0.9397 0.6562 -0.3009 -0.2482 0.2465 936 TYR D CG 5105 C CD1 . TYR D 57 ? 1.0103 0.9047 0.6949 -0.2548 -0.2581 0.2433 936 TYR D CD1 5106 C CD2 . TYR D 57 ? 1.0743 0.9648 0.6568 -0.3424 -0.2718 0.2772 936 TYR D CD2 5107 C CE1 . TYR D 57 ? 1.0784 0.9042 0.7457 -0.2427 -0.2907 0.2628 936 TYR D CE1 5108 C CE2 . TYR D 57 ? 1.1365 0.9428 0.6941 -0.3305 -0.3106 0.3043 936 TYR D CE2 5109 C CZ . TYR D 57 ? 1.2589 1.0374 0.8657 -0.2769 -0.3201 0.2936 936 TYR D CZ 5110 O OH . TYR D 57 ? 1.3731 1.0770 0.9699 -0.2595 -0.3608 0.3122 936 TYR D OH 5111 N N . LYS D 58 ? 0.8981 1.0128 0.7191 -0.2357 -0.1750 0.1481 937 LYS D N 5112 C CA . LYS D 58 ? 0.8668 1.0116 0.7410 -0.2133 -0.1654 0.1262 937 LYS D CA 5113 C C . LYS D 58 ? 0.9563 1.0500 0.8192 -0.2047 -0.1774 0.1474 937 LYS D C 5114 O O . LYS D 58 ? 0.9754 1.0125 0.8107 -0.1999 -0.1890 0.1676 937 LYS D O 5115 C CB . LYS D 58 ? 0.8684 1.0130 0.7853 -0.1789 -0.1618 0.1086 937 LYS D CB 5116 C CG . LYS D 58 ? 1.2173 1.4284 1.1809 -0.1757 -0.1480 0.0703 937 LYS D CG 5117 C CD . LYS D 58 ? 1.4923 1.6901 1.4958 -0.1439 -0.1480 0.0537 937 LYS D CD 5118 C CE . LYS D 58 ? 1.7443 1.9804 1.8117 -0.1238 -0.1468 0.0202 937 LYS D CE 5119 N NZ . LYS D 58 ? 1.8588 2.0480 1.9562 -0.0916 -0.1581 0.0194 937 LYS D NZ 5120 N N . ASN D 59 ? 0.9178 1.0352 0.8033 -0.2043 -0.1764 0.1396 938 ASN D N 5121 C CA . ASN D 59 ? 0.9341 1.0072 0.8055 -0.1996 -0.1873 0.1567 938 ASN D CA 5122 C C . ASN D 59 ? 0.9752 1.0642 0.8832 -0.1808 -0.1924 0.1478 938 ASN D C 5123 O O . ASN D 59 ? 0.9748 1.1166 0.9280 -0.1719 -0.1903 0.1259 938 ASN D O 5124 C CB . ASN D 59 ? 1.0270 1.0745 0.8511 -0.2328 -0.1934 0.1748 938 ASN D CB 5125 C CG . ASN D 59 ? 1.3437 1.4463 1.1637 -0.2695 -0.1861 0.1663 938 ASN D CG 5126 O OD1 . ASN D 59 ? 1.1547 1.3149 1.0159 -0.2663 -0.1807 0.1457 938 ASN D OD1 5127 N ND2 . ASN D 59 ? 1.3685 1.4516 1.1372 -0.3076 -0.1891 0.1827 938 ASN D ND2 5128 N N . ALA D 60 ? 0.9045 0.9469 0.7944 -0.1739 -0.2017 0.1627 939 ALA D N 5129 C CA . ALA D 60 ? 0.8821 0.9273 0.7926 -0.1598 -0.2131 0.1618 939 ALA D CA 5130 C C . ALA D 60 ? 0.9489 0.9636 0.8254 -0.1739 -0.2209 0.1751 939 ALA D C 5131 O O . ALA D 60 ? 0.9595 0.9320 0.8002 -0.1836 -0.2169 0.1836 939 ALA D O 5132 C CB . ALA D 60 ? 0.8801 0.8946 0.8000 -0.1355 -0.2157 0.1643 939 ALA D CB 5133 N N . ASN D 61 ? 0.8866 0.9224 0.7780 -0.1731 -0.2351 0.1739 940 ASN D N 5134 C CA . ASN D 61 ? 0.9032 0.9157 0.7617 -0.1888 -0.2439 0.1835 940 ASN D CA 5135 C C . ASN D 61 ? 0.9744 0.9466 0.8126 -0.1782 -0.2526 0.1943 940 ASN D C 5136 O O . ASN D 61 ? 0.9833 0.9555 0.8424 -0.1592 -0.2624 0.1971 940 ASN D O 5137 C CB . ASN D 61 ? 0.8973 0.9617 0.7785 -0.2009 -0.2568 0.1759 940 ASN D CB 5138 C CG . ASN D 61 ? 1.1574 1.2646 1.0451 -0.2271 -0.2451 0.1648 940 ASN D CG 5139 O OD1 . ASN D 61 ? 1.0451 1.1236 0.8987 -0.2461 -0.2322 0.1710 940 ASN D OD1 5140 N ND2 . ASN D 61 ? 1.1052 1.2822 1.0375 -0.2300 -0.2525 0.1479 940 ASN D ND2 5141 N N . ALA D 62 ? 0.9444 0.8806 0.7391 -0.1942 -0.2495 0.1986 941 ALA D N 5142 C CA . ALA D 62 ? 0.9706 0.8741 0.7330 -0.1965 -0.2531 0.2056 941 ALA D CA 5143 C C . ALA D 62 ? 1.0590 0.9547 0.7854 -0.2201 -0.2596 0.2050 941 ALA D C 5144 O O . ALA D 62 ? 1.0648 0.9584 0.7839 -0.2339 -0.2534 0.1964 941 ALA D O 5145 C CB . ALA D 62 ? 0.9783 0.8501 0.7270 -0.1919 -0.2325 0.1993 941 ALA D CB 5146 N N . THR D 63 ? 1.0588 0.9457 0.7571 -0.2289 -0.2744 0.2151 942 THR D N 5147 C CA . THR D 63 ? 1.0976 0.9795 0.7546 -0.2557 -0.2809 0.2122 942 THR D CA 5148 C C . THR D 63 ? 1.1739 1.0229 0.7810 -0.2728 -0.2634 0.2039 942 THR D C 5149 O O . THR D 63 ? 1.2308 1.0749 0.7963 -0.2984 -0.2657 0.1974 942 THR D O 5150 C CB . THR D 63 ? 1.2378 1.1470 0.8985 -0.2604 -0.3153 0.2262 942 THR D CB 5151 O OG1 . THR D 63 ? 1.3818 1.2762 1.0365 -0.2500 -0.3353 0.2462 942 THR D OG1 5152 C CG2 . THR D 63 ? 1.1675 1.1260 0.8851 -0.2490 -0.3257 0.2203 942 THR D CG2 5153 N N . THR D 64 ? 1.1055 0.9395 0.7190 -0.2612 -0.2442 0.1991 943 THR D N 5154 C CA . THR D 64 ? 1.1251 0.9422 0.7039 -0.2770 -0.2212 0.1823 943 THR D CA 5155 C C . THR D 64 ? 1.1188 0.9296 0.7303 -0.2592 -0.1973 0.1568 943 THR D C 5156 O O . THR D 64 ? 1.0645 0.8776 0.7141 -0.2382 -0.2016 0.1611 943 THR D O 5157 C CB . THR D 64 ? 1.1934 1.0018 0.7482 -0.2852 -0.2249 0.2009 943 THR D CB 5158 O OG1 . THR D 64 ? 1.3051 1.1139 0.9045 -0.2573 -0.2269 0.2109 943 THR D OG1 5159 C CG2 . THR D 64 ? 1.0587 0.8619 0.5747 -0.3036 -0.2574 0.2288 943 THR D CG2 5160 N N . LEU D 65 ? 1.0915 0.8979 0.6888 -0.2692 -0.1741 0.1284 944 LEU D N 5161 C CA . LEU D 65 ? 1.0555 0.8572 0.6899 -0.2492 -0.1569 0.0995 944 LEU D CA 5162 C C . LEU D 65 ? 1.0883 0.9013 0.7520 -0.2322 -0.1472 0.1019 944 LEU D C 5163 O O . LEU D 65 ? 1.1148 0.9360 0.8028 -0.2233 -0.1293 0.0719 944 LEU D O 5164 C CB . LEU D 65 ? 1.0964 0.8980 0.7177 -0.2636 -0.1372 0.0566 944 LEU D CB 5165 C CG . LEU D 65 ? 1.2055 0.9902 0.8051 -0.2781 -0.1456 0.0452 944 LEU D CG 5166 C CD1 . LEU D 65 ? 1.2615 1.0535 0.8478 -0.2947 -0.1227 -0.0033 944 LEU D CD1 5167 C CD2 . LEU D 65 ? 1.2215 0.9752 0.8546 -0.2560 -0.1618 0.0478 944 LEU D CD2 5168 N N . SER D 66 ? 1.0026 0.8186 0.6704 -0.2261 -0.1606 0.1337 945 SER D N 5169 C CA . SER D 66 ? 0.9782 0.8017 0.6738 -0.2110 -0.1555 0.1391 945 SER D CA 5170 C C . SER D 66 ? 1.0171 0.8413 0.7294 -0.1974 -0.1759 0.1679 945 SER D C 5171 O O . SER D 66 ? 1.0474 0.8703 0.7452 -0.2039 -0.1947 0.1857 945 SER D O 5172 C CB . SER D 66 ? 1.0602 0.8892 0.7303 -0.2335 -0.1388 0.1334 945 SER D CB 5173 O OG . SER D 66 ? 1.2167 1.0309 0.8442 -0.2546 -0.1553 0.1631 945 SER D OG 5174 N N . TYR D 67 ? 0.9135 0.7453 0.6607 -0.1784 -0.1727 0.1674 946 TYR D N 5175 C CA . TYR D 67 ? 0.8742 0.7133 0.6457 -0.1643 -0.1869 0.1834 946 TYR D CA 5176 C C . TYR D 67 ? 0.8891 0.7299 0.6809 -0.1563 -0.1779 0.1794 946 TYR D C 5177 O O . TYR D 67 ? 0.8760 0.7251 0.6822 -0.1513 -0.1632 0.1626 946 TYR D O 5178 C CB . TYR D 67 ? 0.8485 0.7041 0.6436 -0.1528 -0.1947 0.1833 946 TYR D CB 5179 C CG . TYR D 67 ? 0.8174 0.6941 0.6420 -0.1411 -0.2062 0.1901 946 TYR D CG 5180 C CD1 . TYR D 67 ? 0.8417 0.7258 0.6693 -0.1418 -0.2249 0.1998 946 TYR D CD1 5181 C CD2 . TYR D 67 ? 0.8101 0.7020 0.6636 -0.1282 -0.2002 0.1826 946 TYR D CD2 5182 C CE1 . TYR D 67 ? 0.8296 0.7370 0.6974 -0.1259 -0.2369 0.1973 946 TYR D CE1 5183 C CE2 . TYR D 67 ? 0.8114 0.7267 0.6977 -0.1169 -0.2081 0.1796 946 TYR D CE2 5184 C CZ . TYR D 67 ? 0.9363 0.8596 0.8340 -0.1136 -0.2263 0.1847 946 TYR D CZ 5185 O OH . TYR D 67 ? 0.9804 0.9314 0.9231 -0.0976 -0.2361 0.1735 946 TYR D OH 5186 N N . LEU D 68 ? 0.8361 0.6682 0.6331 -0.1537 -0.1905 0.1931 947 LEU D N 5187 C CA . LEU D 68 ? 0.8205 0.6481 0.6353 -0.1491 -0.1849 0.1898 947 LEU D CA 5188 C C . LEU D 68 ? 0.8486 0.6989 0.7069 -0.1266 -0.1893 0.1822 947 LEU D C 5189 O O . LEU D 68 ? 0.8418 0.6961 0.7194 -0.1157 -0.2060 0.1869 947 LEU D O 5190 C CB . LEU D 68 ? 0.8679 0.6598 0.6586 -0.1625 -0.2002 0.2094 947 LEU D CB 5191 C CG . LEU D 68 ? 0.9561 0.7304 0.7478 -0.1714 -0.1922 0.2076 947 LEU D CG 5192 C CD1 . LEU D 68 ? 0.9944 0.7776 0.7598 -0.1976 -0.1651 0.1950 947 LEU D CD1 5193 C CD2 . LEU D 68 ? 1.0225 0.7482 0.7943 -0.1797 -0.2193 0.2323 947 LEU D CD2 5194 N N . VAL D 69 ? 0.8134 0.6833 0.6887 -0.1203 -0.1757 0.1674 948 VAL D N 5195 C CA . VAL D 69 ? 0.7898 0.6857 0.6964 -0.1067 -0.1776 0.1585 948 VAL D CA 5196 C C . VAL D 69 ? 0.8500 0.7413 0.7772 -0.1022 -0.1762 0.1512 948 VAL D C 5197 O O . VAL D 69 ? 0.8499 0.7356 0.7747 -0.1088 -0.1652 0.1450 948 VAL D O 5198 C CB . VAL D 69 ? 0.7966 0.7106 0.7056 -0.1046 -0.1722 0.1509 948 VAL D CB 5199 C CG1 . VAL D 69 ? 0.7664 0.7105 0.6944 -0.1003 -0.1745 0.1440 948 VAL D CG1 5200 C CG2 . VAL D 69 ? 0.8018 0.7055 0.6884 -0.1106 -0.1763 0.1577 948 VAL D CG2 5201 N N . THR D 70 ? 0.7918 0.6868 0.7436 -0.0914 -0.1883 0.1482 949 THR D N 5202 C CA . THR D 70 ? 0.7904 0.6728 0.7666 -0.0847 -0.1916 0.1381 949 THR D CA 5203 C C . THR D 70 ? 0.7921 0.7175 0.8049 -0.0736 -0.1859 0.1126 949 THR D C 5204 O O . THR D 70 ? 0.7745 0.7384 0.7868 -0.0755 -0.1801 0.1071 949 THR D O 5205 C CB . THR D 70 ? 0.9963 0.8377 0.9739 -0.0799 -0.2156 0.1517 949 THR D CB 5206 O OG1 . THR D 70 ? 1.0454 0.9132 1.0497 -0.0642 -0.2304 0.1468 949 THR D OG1 5207 C CG2 . THR D 70 ? 0.9748 0.7743 0.9021 -0.1010 -0.2202 0.1781 949 THR D CG2 5208 N N . GLY D 71 ? 0.7716 0.6881 0.8100 -0.0674 -0.1871 0.0964 950 GLY D N 5209 C CA . GLY D 71 ? 0.7578 0.7169 0.8309 -0.0601 -0.1799 0.0652 950 GLY D CA 5210 C C . GLY D 71 ? 0.8275 0.8238 0.8861 -0.0725 -0.1635 0.0571 950 GLY D C 5211 O O . GLY D 71 ? 0.8487 0.8912 0.9217 -0.0743 -0.1567 0.0347 950 GLY D O 5212 N N . LEU D 72 ? 0.7650 0.7450 0.7958 -0.0824 -0.1589 0.0730 951 LEU D N 5213 C CA . LEU D 72 ? 0.7143 0.7230 0.7337 -0.0905 -0.1527 0.0688 951 LEU D CA 5214 C C . LEU D 72 ? 0.7836 0.8049 0.8212 -0.0938 -0.1468 0.0462 951 LEU D C 5215 O O . LEU D 72 ? 0.8177 0.8137 0.8735 -0.0913 -0.1463 0.0365 951 LEU D O 5216 C CB . LEU D 72 ? 0.6982 0.6896 0.6960 -0.0939 -0.1533 0.0863 951 LEU D CB 5217 C CG . LEU D 72 ? 0.7324 0.7097 0.7091 -0.0933 -0.1589 0.1054 951 LEU D CG 5218 C CD1 . LEU D 72 ? 0.7407 0.6996 0.7050 -0.0954 -0.1565 0.1120 951 LEU D CD1 5219 C CD2 . LEU D 72 ? 0.7013 0.7016 0.6650 -0.0974 -0.1650 0.1097 951 LEU D CD2 5220 N N . LYS D 73 ? 0.7258 0.7816 0.7560 -0.1013 -0.1461 0.0384 952 LYS D N 5221 C CA . LYS D 73 ? 0.7306 0.8048 0.7758 -0.1077 -0.1414 0.0148 952 LYS D CA 5222 C C . LYS D 73 ? 0.7879 0.8495 0.8359 -0.1114 -0.1407 0.0185 952 LYS D C 5223 O O . LYS D 73 ? 0.7817 0.8417 0.8187 -0.1086 -0.1460 0.0345 952 LYS D O 5224 C CB . LYS D 73 ? 0.7608 0.8820 0.7908 -0.1193 -0.1444 0.0052 952 LYS D CB 5225 C CG . LYS D 73 ? 0.9418 1.0956 0.9759 -0.1249 -0.1367 -0.0154 952 LYS D CG 5226 C CD . LYS D 73 ? 1.0583 1.2609 1.0631 -0.1478 -0.1379 -0.0240 952 LYS D CD 5227 C CE . LYS D 73 ? 1.2953 1.5250 1.3095 -0.1580 -0.1333 -0.0543 952 LYS D CE 5228 N NZ . LYS D 73 ? 1.4629 1.6808 1.4704 -0.1577 -0.1470 -0.0401 952 LYS D NZ 5229 N N . PRO D 74 ? 0.7583 0.8147 0.8241 -0.1193 -0.1340 0.0001 953 PRO D N 5230 C CA . PRO D 74 ? 0.7601 0.8196 0.8320 -0.1287 -0.1302 -0.0014 953 PRO D CA 5231 C C . PRO D 74 ? 0.7668 0.8721 0.8425 -0.1275 -0.1399 -0.0064 953 PRO D C 5232 O O . PRO D 74 ? 0.7586 0.8903 0.8258 -0.1275 -0.1492 -0.0109 953 PRO D O 5233 C CB . PRO D 74 ? 0.8032 0.8464 0.8906 -0.1432 -0.1219 -0.0216 953 PRO D CB 5234 C CG . PRO D 74 ? 0.8613 0.9082 0.9573 -0.1371 -0.1241 -0.0390 953 PRO D CG 5235 C CD . PRO D 74 ? 0.7909 0.8411 0.8761 -0.1217 -0.1295 -0.0250 953 PRO D CD 5236 N N . ASN D 75 ? 0.7080 0.8250 0.7967 -0.1276 -0.1399 -0.0070 954 ASN D N 5237 C CA . ASN D 75 ? 0.7152 0.8744 0.8197 -0.1207 -0.1565 -0.0141 954 ASN D CA 5238 C C . ASN D 75 ? 0.7944 0.9543 0.8748 -0.1084 -0.1802 0.0053 954 ASN D C 5239 O O . ASN D 75 ? 0.8380 1.0254 0.9142 -0.1104 -0.1994 0.0026 954 ASN D O 5240 C CB . ASN D 75 ? 0.6902 0.8856 0.8146 -0.1347 -0.1560 -0.0394 954 ASN D CB 5241 C CG . ASN D 75 ? 0.9000 1.1432 1.0536 -0.1285 -0.1738 -0.0517 954 ASN D CG 5242 O OD1 . ASN D 75 ? 0.9312 1.1878 1.1121 -0.1205 -0.1727 -0.0579 954 ASN D OD1 5243 N ND2 . ASN D 75 ? 0.9109 1.1859 1.0629 -0.1328 -0.1915 -0.0597 954 ASN D ND2 5244 N N . THR D 76 ? 0.7288 0.8565 0.7880 -0.1008 -0.1805 0.0261 955 THR D N 5245 C CA . THR D 76 ? 0.7482 0.8667 0.7763 -0.0973 -0.2007 0.0478 955 THR D CA 5246 C C . THR D 76 ? 0.8010 0.8921 0.8276 -0.0826 -0.2114 0.0631 955 THR D C 5247 O O . THR D 76 ? 0.7709 0.8418 0.8018 -0.0800 -0.1944 0.0633 955 THR D O 5248 C CB . THR D 76 ? 0.8683 0.9806 0.8709 -0.1090 -0.1888 0.0522 955 THR D CB 5249 O OG1 . THR D 76 ? 0.8944 1.0336 0.9053 -0.1206 -0.1789 0.0295 955 THR D OG1 5250 C CG2 . THR D 76 ? 0.8278 0.9361 0.7908 -0.1171 -0.2050 0.0736 955 THR D CG2 5251 N N . LEU D 77 ? 0.7811 0.8665 0.7971 -0.0750 -0.2429 0.0767 956 LEU D N 5252 C CA . LEU D 77 ? 0.7929 0.8442 0.8070 -0.0598 -0.2604 0.0898 956 LEU D CA 5253 C C . LEU D 77 ? 0.8546 0.8725 0.8211 -0.0733 -0.2605 0.1155 956 LEU D C 5254 O O . LEU D 77 ? 0.8927 0.9157 0.8220 -0.0928 -0.2685 0.1295 956 LEU D O 5255 C CB . LEU D 77 ? 0.8251 0.8748 0.8514 -0.0442 -0.3028 0.0941 956 LEU D CB 5256 C CG . LEU D 77 ? 0.9020 0.9099 0.9383 -0.0225 -0.3271 0.1009 956 LEU D CG 5257 C CD1 . LEU D 77 ? 0.8647 0.8880 0.9529 -0.0053 -0.3030 0.0685 956 LEU D CD1 5258 C CD2 . LEU D 77 ? 0.9736 0.9682 1.0180 -0.0062 -0.3798 0.1106 956 LEU D CD2 5259 N N . TYR D 78 ? 0.7741 0.7651 0.7414 -0.0676 -0.2493 0.1179 957 TYR D N 5260 C CA . TYR D 78 ? 0.7720 0.7351 0.7025 -0.0802 -0.2473 0.1377 957 TYR D CA 5261 C C . TYR D 78 ? 0.8637 0.7840 0.7911 -0.0686 -0.2670 0.1461 957 TYR D C 5262 O O . TYR D 78 ? 0.7939 0.7126 0.7582 -0.0476 -0.2698 0.1274 957 TYR D O 5263 C CB . TYR D 78 ? 0.7439 0.7141 0.6788 -0.0857 -0.2167 0.1305 957 TYR D CB 5264 C CG . TYR D 78 ? 0.7406 0.7420 0.6792 -0.0959 -0.2010 0.1214 957 TYR D CG 5265 C CD1 . TYR D 78 ? 0.7744 0.7903 0.6912 -0.1122 -0.1989 0.1270 957 TYR D CD1 5266 C CD2 . TYR D 78 ? 0.7356 0.7541 0.7024 -0.0916 -0.1876 0.1026 957 TYR D CD2 5267 C CE1 . TYR D 78 ? 0.7668 0.8160 0.6967 -0.1184 -0.1846 0.1090 957 TYR D CE1 5268 C CE2 . TYR D 78 ? 0.7438 0.7838 0.7182 -0.0990 -0.1763 0.0899 957 TYR D CE2 5269 C CZ . TYR D 78 ? 0.8225 0.8794 0.7815 -0.1098 -0.1754 0.0906 957 TYR D CZ 5270 O OH . TYR D 78 ? 0.7924 0.8759 0.7670 -0.1146 -0.1640 0.0690 957 TYR D OH 5271 N N . GLU D 79 ? 0.9376 0.8259 0.8225 -0.0851 -0.2801 0.1703 958 GLU D N 5272 C CA . GLU D 79 ? 0.9918 0.8272 0.8642 -0.0805 -0.3003 0.1810 958 GLU D CA 5273 C C . GLU D 79 ? 1.0471 0.8805 0.9053 -0.0939 -0.2749 0.1816 958 GLU D C 5274 O O . GLU D 79 ? 1.0395 0.8996 0.8791 -0.1143 -0.2589 0.1879 958 GLU D O 5275 C CB . GLU D 79 ? 1.0774 0.8730 0.8996 -0.1009 -0.3352 0.2131 958 GLU D CB 5276 C CG . GLU D 79 ? 1.2490 1.0473 1.0625 -0.1009 -0.3666 0.2242 958 GLU D CG 5277 C CD . GLU D 79 ? 1.7118 1.4629 1.4582 -0.1322 -0.4030 0.2627 958 GLU D CD 5278 O OE1 . GLU D 79 ? 1.5771 1.2684 1.2983 -0.1398 -0.4201 0.2798 958 GLU D OE1 5279 O OE2 . GLU D 79 ? 1.9411 1.7126 1.6550 -0.1537 -0.4155 0.2761 958 GLU D OE2 5280 N N . PHE D 80 ? 1.0056 0.8124 0.8755 -0.0827 -0.2728 0.1712 959 PHE D N 5281 C CA . PHE D 80 ? 0.9939 0.7976 0.8478 -0.0963 -0.2541 0.1723 959 PHE D CA 5282 C C . PHE D 80 ? 1.1606 0.9112 0.9973 -0.0989 -0.2719 0.1772 959 PHE D C 5283 O O . PHE D 80 ? 1.1879 0.9077 1.0455 -0.0781 -0.2906 0.1651 959 PHE D O 5284 C CB . PHE D 80 ? 0.9636 0.7926 0.8429 -0.0873 -0.2274 0.1502 959 PHE D CB 5285 C CG . PHE D 80 ? 0.9374 0.8067 0.8368 -0.0842 -0.2119 0.1424 959 PHE D CG 5286 C CD1 . PHE D 80 ? 0.9525 0.8385 0.8838 -0.0690 -0.2127 0.1250 959 PHE D CD1 5287 C CD2 . PHE D 80 ? 0.9268 0.8174 0.8188 -0.0956 -0.1983 0.1488 959 PHE D CD2 5288 C CE1 . PHE D 80 ? 0.9296 0.8488 0.8772 -0.0707 -0.1981 0.1168 959 PHE D CE1 5289 C CE2 . PHE D 80 ? 0.9288 0.8456 0.8401 -0.0927 -0.1867 0.1399 959 PHE D CE2 5290 C CZ . PHE D 80 ? 0.8965 0.8254 0.8316 -0.0829 -0.1856 0.1252 959 PHE D CZ 5291 N N . SER D 81 ? 1.1425 0.8843 0.9466 -0.1237 -0.2674 0.1910 960 SER D N 5292 C CA . SER D 81 ? 1.1781 0.8680 0.9603 -0.1337 -0.2815 0.1954 960 SER D CA 5293 C C . SER D 81 ? 1.2077 0.9189 0.9738 -0.1550 -0.2622 0.1961 960 SER D C 5294 O O . SER D 81 ? 1.1645 0.9250 0.9330 -0.1640 -0.2461 0.1997 960 SER D O 5295 C CB . SER D 81 ? 1.2669 0.9050 1.0132 -0.1508 -0.3147 0.2219 960 SER D CB 5296 O OG . SER D 81 ? 1.4069 1.0746 1.1307 -0.1708 -0.3161 0.2417 960 SER D OG 5297 N N . VAL D 82 ? 1.1736 0.8503 0.9310 -0.1590 -0.2650 0.1870 961 VAL D N 5298 C CA . VAL D 82 ? 1.1380 0.8325 0.8807 -0.1786 -0.2513 0.1850 961 VAL D CA 5299 C C . VAL D 82 ? 1.1987 0.8449 0.9091 -0.2037 -0.2679 0.1944 961 VAL D C 5300 O O . VAL D 82 ? 1.2246 0.8097 0.9291 -0.1980 -0.2896 0.1947 961 VAL D O 5301 C CB . VAL D 82 ? 1.1498 0.8567 0.9074 -0.1659 -0.2340 0.1597 961 VAL D CB 5302 C CG1 . VAL D 82 ? 1.1087 0.8504 0.8529 -0.1836 -0.2230 0.1643 961 VAL D CG1 5303 C CG2 . VAL D 82 ? 1.1178 0.8491 0.9067 -0.1413 -0.2222 0.1449 961 VAL D CG2 5304 N N . MET D 83 ? 1.1322 0.8044 0.8249 -0.2312 -0.2603 0.2002 962 MET D N 5305 C CA . MET D 83 ? 1.1541 0.7911 0.8148 -0.2633 -0.2710 0.2059 962 MET D CA 5306 C C . MET D 83 ? 1.1557 0.8310 0.8182 -0.2732 -0.2575 0.1933 962 MET D C 5307 O O . MET D 83 ? 1.0774 0.8035 0.7609 -0.2584 -0.2444 0.1879 962 MET D O 5308 C CB . MET D 83 ? 1.1986 0.8407 0.8306 -0.2998 -0.2791 0.2306 962 MET D CB 5309 C CG . MET D 83 ? 1.1876 0.9163 0.8328 -0.3149 -0.2607 0.2306 962 MET D CG 5310 S SD . MET D 83 ? 1.2816 1.0289 0.8889 -0.3735 -0.2633 0.2486 962 MET D SD 5311 C CE . MET D 83 ? 1.2916 1.0145 0.8781 -0.4048 -0.2684 0.2436 962 MET D CE 5312 N N . VAL D 84 ? 1.1621 0.8073 0.7997 -0.2999 -0.2648 0.1900 963 VAL D N 5313 C CA . VAL D 84 ? 1.1613 0.8390 0.7938 -0.3156 -0.2582 0.1793 963 VAL D CA 5314 C C . VAL D 84 ? 1.2902 0.9845 0.9030 -0.3586 -0.2641 0.1903 963 VAL D C 5315 O O . VAL D 84 ? 1.3369 0.9834 0.9240 -0.3832 -0.2752 0.2021 963 VAL D O 5316 C CB . VAL D 84 ? 1.2344 0.8717 0.8586 -0.3082 -0.2569 0.1534 963 VAL D CB 5317 C CG1 . VAL D 84 ? 1.2952 0.8515 0.9006 -0.3199 -0.2726 0.1461 963 VAL D CG1 5318 C CG2 . VAL D 84 ? 1.2280 0.9059 0.8411 -0.3250 -0.2514 0.1442 963 VAL D CG2 5319 N N . THR D 85 ? 1.2485 1.0118 0.8743 -0.3692 -0.2591 0.1868 964 THR D N 5320 C CA . THR D 85 ? 1.2671 1.0707 0.8865 -0.4103 -0.2620 0.1888 964 THR D CA 5321 C C . THR D 85 ? 1.3328 1.1639 0.9530 -0.4163 -0.2662 0.1750 964 THR D C 5322 O O . THR D 85 ? 1.3060 1.1642 0.9433 -0.3888 -0.2659 0.1712 964 THR D O 5323 C CB . THR D 85 ? 1.3236 1.2095 0.9759 -0.4123 -0.2546 0.1931 964 THR D CB 5324 O OG1 . THR D 85 ? 1.3665 1.2297 1.0127 -0.4060 -0.2505 0.2052 964 THR D OG1 5325 C CG2 . THR D 85 ? 1.3225 1.2654 0.9760 -0.4588 -0.2542 0.1884 964 THR D CG2 5326 N N . LYS D 86 ? 1.3410 1.1619 0.9377 -0.4561 -0.2725 0.1693 965 LYS D N 5327 C CA . LYS D 86 ? 1.3516 1.2044 0.9445 -0.4709 -0.2798 0.1560 965 LYS D CA 5328 C C . LYS D 86 ? 1.4357 1.3275 1.0268 -0.5197 -0.2835 0.1546 965 LYS D C 5329 O O . LYS D 86 ? 1.4902 1.3270 1.0453 -0.5568 -0.2864 0.1520 965 LYS D O 5330 C CB . LYS D 86 ? 1.4269 1.2106 0.9851 -0.4708 -0.2812 0.1401 965 LYS D CB 5331 C CG . LYS D 86 ? 1.5708 1.3920 1.1180 -0.4854 -0.2894 0.1269 965 LYS D CG 5332 C CD . LYS D 86 ? 1.6675 1.4265 1.1775 -0.4923 -0.2862 0.1030 965 LYS D CD 5333 C CE . LYS D 86 ? 1.7403 1.5016 1.2247 -0.5367 -0.2955 0.0878 965 LYS D CE 5334 N NZ . LYS D 86 ? 1.7625 1.6030 1.2504 -0.5462 -0.3087 0.0903 965 LYS D NZ 5335 N N . GLY D 87 ? 1.3571 1.3434 0.9913 -0.5196 -0.2833 0.1538 966 GLY D N 5336 C CA . GLY D 87 ? 1.3788 1.4300 1.0250 -0.5664 -0.2827 0.1461 966 GLY D CA 5337 C C . GLY D 87 ? 1.4764 1.5013 1.0979 -0.6023 -0.2703 0.1570 966 GLY D C 5338 O O . GLY D 87 ? 1.4499 1.4761 1.0815 -0.5819 -0.2612 0.1666 966 GLY D O 5339 N N . ARG D 88 ? 1.5114 1.5093 1.0945 -0.6609 -0.2719 0.1568 967 ARG D N 5340 C CA . ARG D 88 ? 1.5703 1.5313 1.1121 -0.7112 -0.2651 0.1726 967 ARG D CA 5341 C C . ARG D 88 ? 1.6436 1.4768 1.1404 -0.6914 -0.2734 0.1958 967 ARG D C 5342 O O . ARG D 88 ? 1.6644 1.4707 1.1335 -0.7125 -0.2714 0.2158 967 ARG D O 5343 C CB . ARG D 88 ? 1.6742 1.6288 1.1811 -0.7843 -0.2682 0.1677 967 ARG D CB 5344 C CG . ARG D 88 ? 1.8160 1.8952 1.3705 -0.8059 -0.2656 0.1397 967 ARG D CG 5345 C CD . ARG D 88 ? 2.0162 2.1207 1.5431 -0.8910 -0.2602 0.1338 967 ARG D CD 5346 N NE . ARG D 88 ? 2.2249 2.2132 1.6884 -0.9268 -0.2743 0.1415 967 ARG D NE 5347 C CZ . ARG D 88 ? 2.5075 2.4875 1.9333 -1.0056 -0.2737 0.1394 967 ARG D CZ 5348 N NH1 . ARG D 88 ? 2.3435 2.4360 1.7889 -1.0608 -0.2565 0.1283 967 ARG D NH1 5349 N NH2 . ARG D 88 ? 2.4237 2.2854 1.7942 -1.0321 -0.2894 0.1441 967 ARG D NH2 5350 N N . ARG D 89 ? 1.6014 1.3624 1.0929 -0.6517 -0.2839 0.1904 968 ARG D N 5351 C CA . ARG D 89 ? 1.6355 1.2828 1.1013 -0.6232 -0.2950 0.2020 968 ARG D CA 5352 C C . ARG D 89 ? 1.6283 1.2955 1.1262 -0.5666 -0.2882 0.2076 968 ARG D C 5353 O O . ARG D 89 ? 1.5618 1.3099 1.1018 -0.5360 -0.2771 0.1973 968 ARG D O 5354 C CB . ARG D 89 ? 1.6534 1.2335 1.1101 -0.6063 -0.3040 0.1814 968 ARG D CB 5355 C CG . ARG D 89 ? 1.7701 1.3028 1.1895 -0.6604 -0.3143 0.1736 968 ARG D CG 5356 C CD . ARG D 89 ? 1.7655 1.2291 1.1782 -0.6398 -0.3214 0.1462 968 ARG D CD 5357 N NE . ARG D 89 ? 1.8204 1.1675 1.2212 -0.6148 -0.3369 0.1486 968 ARG D NE 5358 C CZ . ARG D 89 ? 1.8910 1.1968 1.3100 -0.5696 -0.3374 0.1210 968 ARG D CZ 5359 N NH1 . ARG D 89 ? 1.6361 1.0038 1.0734 -0.5506 -0.3207 0.0933 968 ARG D NH1 5360 N NH2 . ARG D 89 ? 1.6729 0.8784 1.0926 -0.5442 -0.3561 0.1197 968 ARG D NH2 5361 N N . SER D 90 ? 1.6011 1.1882 1.0783 -0.5534 -0.2992 0.2245 969 SER D N 5362 C CA . SER D 90 ? 1.5300 1.1228 1.0329 -0.5037 -0.2958 0.2294 969 SER D CA 5363 C C . SER D 90 ? 1.6118 1.0928 1.0947 -0.4841 -0.3181 0.2390 969 SER D C 5364 O O . SER D 90 ? 1.7008 1.0970 1.1445 -0.5151 -0.3388 0.2489 969 SER D O 5365 C CB . SER D 90 ? 1.5200 1.1915 1.0341 -0.5155 -0.2830 0.2417 969 SER D CB 5366 O OG . SER D 90 ? 1.6458 1.2688 1.1223 -0.5370 -0.2943 0.2673 969 SER D OG 5367 N N . SER D 91 ? 1.5057 0.9853 1.0191 -0.4325 -0.3169 0.2340 970 SER D N 5368 C CA . SER D 91 ? 1.5566 0.9461 1.0684 -0.4039 -0.3407 0.2373 970 SER D CA 5369 C C . SER D 91 ? 1.6206 1.0149 1.1249 -0.4007 -0.3493 0.2648 970 SER D C 5370 O O . SER D 91 ? 1.5762 1.0498 1.0806 -0.4181 -0.3309 0.2745 970 SER D O 5371 C CB . SER D 91 ? 1.5588 0.9559 1.1159 -0.3503 -0.3310 0.2042 970 SER D CB 5372 O OG . SER D 91 ? 1.5571 1.0156 1.1468 -0.3174 -0.3161 0.2044 970 SER D OG 5373 N N . THR D 92 ? 1.6189 0.9332 1.1218 -0.3759 -0.3789 0.2730 971 THR D N 5374 C CA . THR D 92 ? 1.6053 0.9245 1.1019 -0.3682 -0.3908 0.2971 971 THR D CA 5375 C C . THR D 92 ? 1.5367 0.9218 1.0923 -0.3143 -0.3699 0.2730 971 THR D C 5376 O O . THR D 92 ? 1.4759 0.8995 1.0667 -0.2916 -0.3469 0.2430 971 THR D O 5377 C CB . THR D 92 ? 1.7534 0.9559 1.2197 -0.3682 -0.4403 0.3216 971 THR D CB 5378 O OG1 . THR D 92 ? 1.7396 0.8727 1.2406 -0.3286 -0.4590 0.2934 971 THR D OG1 5379 C CG2 . THR D 92 ? 1.8368 0.9829 1.2272 -0.4362 -0.4607 0.3594 971 THR D CG2 5380 N N . TRP D 93 ? 1.4723 0.8698 1.0324 -0.3000 -0.3787 0.2871 972 TRP D N 5381 C CA . TRP D 93 ? 1.3720 0.8267 0.9844 -0.2547 -0.3612 0.2659 972 TRP D CA 5382 C C . TRP D 93 ? 1.4840 0.8880 1.1363 -0.2087 -0.3798 0.2422 972 TRP D C 5383 O O . TRP D 93 ? 1.5614 0.8807 1.2024 -0.2043 -0.4187 0.2515 972 TRP D O 5384 C CB . TRP D 93 ? 1.3068 0.8019 0.9100 -0.2607 -0.3616 0.2853 972 TRP D CB 5385 C CG . TRP D 93 ? 1.2626 0.8290 0.8438 -0.3009 -0.3354 0.2934 972 TRP D CG 5386 C CD1 . TRP D 93 ? 1.3456 0.9079 0.8723 -0.3541 -0.3421 0.3186 972 TRP D CD1 5387 C CD2 . TRP D 93 ? 1.1700 0.8235 0.7866 -0.2927 -0.3000 0.2720 972 TRP D CD2 5388 N NE1 . TRP D 93 ? 1.2717 0.9257 0.8073 -0.3768 -0.3092 0.3071 972 TRP D NE1 5389 C CE2 . TRP D 93 ? 1.2092 0.9153 0.8024 -0.3362 -0.2867 0.2796 972 TRP D CE2 5390 C CE3 . TRP D 93 ? 1.1092 0.7997 0.7737 -0.2552 -0.2805 0.2471 972 TRP D CE3 5391 C CZ2 . TRP D 93 ? 1.1331 0.9269 0.7614 -0.3341 -0.2586 0.2595 972 TRP D CZ2 5392 C CZ3 . TRP D 93 ? 1.0598 0.8239 0.7466 -0.2575 -0.2564 0.2358 972 TRP D CZ3 5393 C CH2 . TRP D 93 ? 1.0637 0.8788 0.7386 -0.2918 -0.2475 0.2402 972 TRP D CH2 5394 N N . SER D 94 ? 1.4097 0.8655 1.1092 -0.1771 -0.3530 0.2089 973 SER D N 5395 C CA . SER D 94 ? 1.4321 0.8701 1.1815 -0.1346 -0.3587 0.1729 973 SER D CA 5396 C C . SER D 94 ? 1.5512 0.9769 1.3282 -0.1046 -0.3860 0.1774 973 SER D C 5397 O O . SER D 94 ? 1.5401 0.9692 1.2893 -0.1197 -0.3996 0.2109 973 SER D O 5398 C CB . SER D 94 ? 1.3817 0.8939 1.1623 -0.1221 -0.3178 0.1416 973 SER D CB 5399 O OG . SER D 94 ? 1.2941 0.8676 1.0894 -0.1143 -0.3020 0.1487 973 SER D OG 5400 N N . MET D 95 ? 1.5732 0.9963 1.4085 -0.0633 -0.3915 0.1382 974 MET D N 5401 C CA . MET D 95 ? 1.6011 1.0329 1.4821 -0.0274 -0.4140 0.1297 974 MET D CA 5402 C C . MET D 95 ? 1.5633 1.0777 1.4429 -0.0357 -0.3835 0.1399 974 MET D C 5403 O O . MET D 95 ? 1.5042 1.0684 1.3698 -0.0550 -0.3439 0.1368 974 MET D O 5404 C CB . MET D 95 ? 1.6467 1.0951 1.6033 0.0147 -0.4083 0.0699 974 MET D CB 5405 C CG . MET D 95 ? 1.6493 1.1716 1.6187 0.0059 -0.3520 0.0339 974 MET D CG 5406 S SD . MET D 95 ? 1.6911 1.2868 1.7463 0.0417 -0.3272 -0.0347 974 MET D SD 5407 C CE . MET D 95 ? 1.7195 1.2688 1.8038 0.0562 -0.3334 -0.0881 974 MET D CE 5408 N N . THR D 96 ? 1.5176 1.0425 1.4107 -0.0219 -0.4054 0.1518 975 THR D N 5409 C CA . THR D 96 ? 1.4406 1.0391 1.3341 -0.0303 -0.3776 0.1571 975 THR D CA 5410 C C . THR D 96 ? 1.3969 1.0551 1.3548 -0.0013 -0.3555 0.1150 975 THR D C 5411 O O . THR D 96 ? 1.4376 1.0896 1.4480 0.0320 -0.3784 0.0888 975 THR D O 5412 C CB . THR D 96 ? 1.6152 1.2058 1.4745 -0.0446 -0.4054 0.1943 975 THR D CB 5413 O OG1 . THR D 96 ? 1.7418 1.2908 1.6282 -0.0155 -0.4540 0.1934 975 THR D OG1 5414 C CG2 . THR D 96 ? 1.6531 1.2080 1.4387 -0.0894 -0.4126 0.2346 975 THR D CG2 5415 N N . ALA D 97 ? 1.2208 0.9369 1.1763 -0.0155 -0.3130 0.1073 976 ALA D N 5416 C CA . ALA D 97 ? 1.1510 0.9273 1.1535 -0.0020 -0.2868 0.0732 976 ALA D CA 5417 C C . ALA D 97 ? 1.1645 0.9768 1.1641 -0.0076 -0.2867 0.0899 976 ALA D C 5418 O O . ALA D 97 ? 1.1797 0.9842 1.1358 -0.0287 -0.2896 0.1221 976 ALA D O 5419 C CB . ALA D 97 ? 1.1224 0.9248 1.1110 -0.0211 -0.2458 0.0605 976 ALA D CB 5420 N N . HIS D 98 ? 1.0756 0.9310 1.1241 0.0098 -0.2842 0.0636 977 HIS D N 5421 C CA . HIS D 98 ? 1.0412 0.9329 1.0912 0.0041 -0.2839 0.0729 977 HIS D CA 5422 C C . HIS D 98 ? 0.9795 0.9255 1.0544 -0.0036 -0.2453 0.0467 977 HIS D C 5423 O O . HIS D 98 ? 0.9396 0.9076 1.0480 0.0023 -0.2271 0.0131 977 HIS D O 5424 C CB . HIS D 98 ? 1.0920 0.9834 1.1736 0.0275 -0.3252 0.0703 977 HIS D CB 5425 C CG . HIS D 98 ? 1.2029 1.0316 1.2428 0.0252 -0.3690 0.1070 977 HIS D CG 5426 N ND1 . HIS D 98 ? 1.2825 1.0526 1.3275 0.0414 -0.3972 0.1066 977 HIS D ND1 5427 C CD2 . HIS D 98 ? 1.2566 1.0716 1.2454 0.0036 -0.3885 0.1435 977 HIS D CD2 5428 C CE1 . HIS D 98 ? 1.3346 1.0498 1.3270 0.0270 -0.4353 0.1482 977 HIS D CE1 5429 N NE2 . HIS D 98 ? 1.3252 1.0695 1.2802 0.0019 -0.4302 0.1713 977 HIS D NE2 5430 N N . GLY D 99 ? 0.8788 0.8449 0.9346 -0.0207 -0.2328 0.0606 978 GLY D N 5431 C CA . GLY D 99 ? 0.8358 0.8388 0.9039 -0.0346 -0.2001 0.0436 978 GLY D CA 5432 C C . GLY D 99 ? 0.8715 0.8935 0.9327 -0.0446 -0.1999 0.0530 978 GLY D C 5433 O O . GLY D 99 ? 0.8790 0.8846 0.9065 -0.0531 -0.2070 0.0767 978 GLY D O 5434 N N . ALA D 100 ? 0.7980 0.8609 0.8941 -0.0462 -0.1900 0.0290 979 ALA D N 5435 C CA . ALA D 100 ? 0.7795 0.8632 0.8741 -0.0578 -0.1870 0.0298 979 ALA D CA 5436 C C . ALA D 100 ? 0.8030 0.8889 0.8924 -0.0801 -0.1551 0.0221 979 ALA D C 5437 O O . ALA D 100 ? 0.7650 0.8666 0.8712 -0.0890 -0.1364 0.0029 979 ALA D O 5438 C CB . ALA D 100 ? 0.7885 0.9139 0.9248 -0.0464 -0.2050 0.0097 979 ALA D CB 5439 N N . THR D 101 ? 0.7596 0.8279 0.8244 -0.0913 -0.1503 0.0360 980 THR D N 5440 C CA . THR D 101 ? 0.7512 0.8045 0.8076 -0.1110 -0.1300 0.0341 980 THR D CA 5441 C C . THR D 101 ? 0.7843 0.8691 0.8676 -0.1246 -0.1202 0.0104 980 THR D C 5442 O O . THR D 101 ? 0.7644 0.8854 0.8721 -0.1166 -0.1319 -0.0030 980 THR D O 5443 C CB . THR D 101 ? 0.8256 0.8564 0.8649 -0.1119 -0.1337 0.0463 980 THR D CB 5444 O OG1 . THR D 101 ? 0.8826 0.9405 0.9298 -0.1068 -0.1446 0.0391 980 THR D OG1 5445 C CG2 . THR D 101 ? 0.7414 0.7446 0.7569 -0.1053 -0.1389 0.0670 980 THR D CG2 5446 N N . PHE D 102 ? 0.7431 0.8122 0.8177 -0.1493 -0.1012 0.0069 981 PHE D N 5447 C CA . PHE D 102 ? 0.7160 0.8113 0.8109 -0.1721 -0.0883 -0.0156 981 PHE D CA 5448 C C . PHE D 102 ? 0.7556 0.8465 0.8559 -0.1729 -0.0959 -0.0198 981 PHE D C 5449 O O . PHE D 102 ? 0.7535 0.8206 0.8407 -0.1589 -0.1072 -0.0073 981 PHE D O 5450 C CB . PHE D 102 ? 0.7674 0.8321 0.8355 -0.2076 -0.0682 -0.0110 981 PHE D CB 5451 C CG . PHE D 102 ? 0.7858 0.8615 0.8424 -0.2192 -0.0536 -0.0140 981 PHE D CG 5452 C CD1 . PHE D 102 ? 0.7663 0.8954 0.8591 -0.1995 -0.0533 -0.0371 981 PHE D CD1 5453 C CD2 . PHE D 102 ? 0.8512 0.8847 0.8612 -0.2530 -0.0413 0.0026 981 PHE D CD2 5454 C CE1 . PHE D 102 ? 0.7712 0.9177 0.8593 -0.2115 -0.0360 -0.0503 981 PHE D CE1 5455 C CE2 . PHE D 102 ? 0.8774 0.9291 0.8715 -0.2708 -0.0240 -0.0054 981 PHE D CE2 5456 C CZ . PHE D 102 ? 0.8032 0.9150 0.8394 -0.2495 -0.0187 -0.0356 981 PHE D CZ 5457 N N . GLU D 103 ? 0.7187 0.8400 0.8414 -0.1918 -0.0879 -0.0429 982 GLU D N 5458 C CA . GLU D 103 ? 0.7093 0.8300 0.8388 -0.1982 -0.0923 -0.0544 982 GLU D CA 5459 C C . GLU D 103 ? 0.8164 0.8690 0.9208 -0.2165 -0.0859 -0.0436 982 GLU D C 5460 O O . GLU D 103 ? 0.8200 0.8320 0.8989 -0.2296 -0.0792 -0.0253 982 GLU D O 5461 C CB . GLU D 103 ? 0.7197 0.8949 0.8820 -0.2165 -0.0863 -0.0841 982 GLU D CB 5462 C CG . GLU D 103 ? 0.7842 1.0253 0.9799 -0.1937 -0.1034 -0.0968 982 GLU D CG 5463 C CD . GLU D 103 ? 0.9629 1.2658 1.1976 -0.2088 -0.1039 -0.1290 982 GLU D CD 5464 O OE1 . GLU D 103 ? 0.8281 1.1227 1.0618 -0.2425 -0.0858 -0.1429 982 GLU D OE1 5465 O OE2 . GLU D 103 ? 1.0396 1.3953 1.3051 -0.1878 -0.1264 -0.1392 982 GLU D OE2 5466 N N . LEU D 104 ? 0.6897 0.9473 0.6884 -0.1508 -0.0185 -0.1368 983 LEU D N 5467 C CA . LEU D 104 ? 0.6489 0.9365 0.6475 -0.1519 -0.0219 -0.1279 983 LEU D CA 5468 C C . LEU D 104 ? 0.6823 0.9835 0.7057 -0.1261 -0.0281 -0.1303 983 LEU D C 5469 O O . LEU D 104 ? 0.6719 0.9649 0.7058 -0.1107 -0.0337 -0.1328 983 LEU D O 5470 C CB . LEU D 104 ? 0.6418 0.9565 0.6263 -0.1620 -0.0305 -0.1123 983 LEU D CB 5471 C CG . LEU D 104 ? 0.6531 1.0040 0.6433 -0.1552 -0.0430 -0.1061 983 LEU D CG 5472 C CD1 . LEU D 104 ? 0.6551 0.9914 0.6219 -0.1701 -0.0472 -0.1066 983 LEU D CD1 5473 C CD2 . LEU D 104 ? 0.5745 0.9696 0.5736 -0.1577 -0.0496 -0.1012 983 LEU D CD2 5474 N N . VAL D 105 ? 0.6436 0.9560 0.6686 -0.1217 -0.0296 -0.1299 984 VAL D N 5475 C CA . VAL D 105 ? 0.6120 0.9360 0.6565 -0.0998 -0.0347 -0.1326 984 VAL D CA 5476 C C . VAL D 105 ? 0.6395 0.9846 0.6892 -0.0855 -0.0455 -0.1209 984 VAL D C 5477 O O . VAL D 105 ? 0.6463 1.0081 0.6843 -0.0951 -0.0484 -0.1109 984 VAL D O 5478 C CB . VAL D 105 ? 0.6579 0.9788 0.6874 -0.0999 -0.0376 -0.1307 984 VAL D CB 5479 C CG1 . VAL D 105 ? 0.6847 0.9751 0.7017 -0.1185 -0.0211 -0.1475 984 VAL D CG1 5480 C CG2 . VAL D 105 ? 0.6639 0.9940 0.6706 -0.1044 -0.0515 -0.1167 984 VAL D CG2 5481 N N . PRO D 106 ? 0.5936 0.9400 0.6586 -0.0661 -0.0506 -0.1248 985 PRO D N 5482 C CA . PRO D 106 ? 0.5841 0.9444 0.6422 -0.0580 -0.0578 -0.1147 985 PRO D CA 5483 C C . PRO D 106 ? 0.6250 1.0213 0.6838 -0.0585 -0.0592 -0.1083 985 PRO D C 5484 O O . PRO D 106 ? 0.5902 0.9900 0.6529 -0.0529 -0.0624 -0.1104 985 PRO D O 5485 C CB . PRO D 106 ? 0.5991 0.9520 0.6715 -0.0370 -0.0648 -0.1221 985 PRO D CB 5486 C CG . PRO D 106 ? 0.6367 0.9731 0.7301 -0.0347 -0.0624 -0.1398 985 PRO D CG 5487 C CD . PRO D 106 ? 0.5976 0.9355 0.6860 -0.0537 -0.0493 -0.1417 985 PRO D CD 5488 N N . THR D 107 ? 0.6355 1.0555 0.6875 -0.0679 -0.0574 -0.1040 986 THR D N 5489 C CA . THR D 107 ? 0.6283 1.0958 0.6956 -0.0648 -0.0607 -0.1067 986 THR D CA 5490 C C . THR D 107 ? 0.6710 1.1652 0.7461 -0.0554 -0.0576 -0.1113 986 THR D C 5491 O O . THR D 107 ? 0.6363 1.1799 0.7321 -0.0533 -0.0576 -0.1207 986 THR D O 5492 C CB . THR D 107 ? 0.6815 1.1733 0.7479 -0.0868 -0.0592 -0.1078 986 THR D CB 5493 O OG1 . THR D 107 ? 0.7247 1.2064 0.7698 -0.1103 -0.0466 -0.1058 986 THR D OG1 5494 C CG2 . THR D 107 ? 0.6430 1.1079 0.6980 -0.0946 -0.0642 -0.1047 986 THR D CG2 5495 N N . SER D 108 ? 0.6244 1.0864 0.6845 -0.0489 -0.0564 -0.1083 987 SER D N 5496 C CA . SER D 108 ? 0.6193 1.0903 0.6727 -0.0437 -0.0524 -0.1117 987 SER D CA 5497 C C . SER D 108 ? 0.6747 1.1117 0.7255 -0.0231 -0.0618 -0.1105 987 SER D C 5498 O O . SER D 108 ? 0.6732 1.0791 0.7253 -0.0190 -0.0685 -0.1094 987 SER D O 5499 C CB . SER D 108 ? 0.6911 1.1485 0.7072 -0.0718 -0.0410 -0.1096 987 SER D CB 5500 O OG . SER D 108 ? 0.8236 1.2217 0.7973 -0.0728 -0.0473 -0.1022 987 SER D OG 5501 N N . PRO D 109 ? 0.6305 1.0783 0.6830 -0.0102 -0.0618 -0.1152 988 PRO D N 5502 C CA . PRO D 109 ? 0.6122 1.0315 0.6641 0.0072 -0.0719 -0.1165 988 PRO D CA 5503 C C . PRO D 109 ? 0.7087 1.0861 0.7273 0.0034 -0.0804 -0.1128 988 PRO D C 5504 O O . PRO D 109 ? 0.7184 1.0828 0.7003 -0.0150 -0.0747 -0.1079 988 PRO D O 5505 C CB . PRO D 109 ? 0.6169 1.0611 0.6774 0.0208 -0.0689 -0.1235 988 PRO D CB 5506 C CG . PRO D 109 ? 0.6768 1.1576 0.7353 0.0079 -0.0558 -0.1284 988 PRO D CG 5507 C CD . PRO D 109 ? 0.6315 1.1214 0.6901 -0.0120 -0.0514 -0.1243 988 PRO D CD 5508 N N . PRO D 110 ? 0.7091 1.0621 0.7348 0.0198 -0.0955 -0.1179 989 PRO D N 5509 C CA . PRO D 110 ? 0.7449 1.0522 0.7342 0.0225 -0.1134 -0.1159 989 PRO D CA 5510 C C . PRO D 110 ? 0.8471 1.1504 0.7948 0.0125 -0.1057 -0.1115 989 PRO D C 5511 O O . PRO D 110 ? 0.8179 1.1561 0.7835 0.0177 -0.0941 -0.1171 989 PRO D O 5512 C CB . PRO D 110 ? 0.7427 1.0474 0.7641 0.0442 -0.1300 -0.1294 989 PRO D CB 5513 C CG . PRO D 110 ? 0.7526 1.0900 0.8203 0.0444 -0.1169 -0.1380 989 PRO D CG 5514 C CD . PRO D 110 ? 0.6943 1.0581 0.7565 0.0338 -0.0982 -0.1286 989 PRO D CD 5515 N N . LYS D 111 ? 0.8529 1.1096 0.7393 -0.0057 -0.1096 -0.1033 990 LYS D N 5516 C CA . LYS D 111 ? 0.8827 1.1230 0.7120 -0.0270 -0.0975 -0.1013 990 LYS D CA 5517 C C . LYS D 111 ? 1.0144 1.2115 0.8077 -0.0150 -0.1185 -0.1019 990 LYS D C 5518 O O . LYS D 111 ? 1.0434 1.2144 0.8503 0.0093 -0.1489 -0.1035 990 LYS D O 5519 C CB . LYS D 111 ? 0.9644 1.1504 0.7227 -0.0587 -0.0947 -0.0917 990 LYS D CB 5520 C CG . LYS D 111 ? 0.9654 1.1947 0.7431 -0.0829 -0.0680 -0.0936 990 LYS D CG 5521 C CD . LYS D 111 ? 1.1307 1.2906 0.8364 -0.1118 -0.0713 -0.0832 990 LYS D CD 5522 C CE . LYS D 111 ? 1.3306 1.4517 0.9487 -0.1569 -0.0506 -0.0833 990 LYS D CE 5523 N NZ . LYS D 111 ? 1.4145 1.6207 1.0672 -0.1864 -0.0091 -0.1001 990 LYS D NZ 5524 N N . ASP D 112 ? 0.9966 1.1874 0.7430 -0.0348 -0.1019 -0.1042 991 ASP D N 5525 C CA . ASP D 112 ? 1.0531 1.1930 0.7416 -0.0344 -0.1174 -0.1039 991 ASP D CA 5526 C C . ASP D 112 ? 1.0851 1.2318 0.8158 0.0010 -0.1442 -0.1100 991 ASP D C 5527 O O . ASP D 112 ? 1.1641 1.2513 0.8526 0.0109 -0.1785 -0.1076 991 ASP D O 5528 C CB . ASP D 112 ? 1.1959 1.2341 0.7781 -0.0563 -0.1382 -0.0908 991 ASP D CB 5529 C CG . ASP D 112 ? 1.5473 1.5668 1.0775 -0.0985 -0.1115 -0.0856 991 ASP D CG 5530 O OD1 . ASP D 112 ? 1.5811 1.6481 1.1112 -0.1285 -0.0700 -0.0964 991 ASP D OD1 5531 O OD2 . ASP D 112 ? 1.7238 1.6800 1.2124 -0.1025 -0.1324 -0.0741 991 ASP D OD2 5532 N N . VAL D 113 ? 0.9524 1.1675 0.7610 0.0184 -0.1303 -0.1199 992 VAL D N 5533 C CA . VAL D 113 ? 0.9149 1.1429 0.7652 0.0442 -0.1474 -0.1296 992 VAL D CA 5534 C C . VAL D 113 ? 1.0004 1.2048 0.8064 0.0417 -0.1508 -0.1337 992 VAL D C 5535 O O . VAL D 113 ? 0.9937 1.2133 0.7780 0.0264 -0.1234 -0.1366 992 VAL D O 5536 C CB . VAL D 113 ? 0.8821 1.1699 0.8041 0.0560 -0.1299 -0.1378 992 VAL D CB 5537 C CG1 . VAL D 113 ? 0.8589 1.1521 0.8124 0.0734 -0.1435 -0.1501 992 VAL D CG1 5538 C CG2 . VAL D 113 ? 0.8471 1.1516 0.8031 0.0546 -0.1264 -0.1341 992 VAL D CG2 5539 N N . THR D 114 ? 0.9810 1.1496 0.7745 0.0563 -0.1856 -0.1376 993 THR D N 5540 C CA . THR D 114 ? 1.0239 1.1633 0.7728 0.0552 -0.1961 -0.1421 993 THR D CA 5541 C C . THR D 114 ? 1.0739 1.2285 0.8723 0.0790 -0.2223 -0.1571 993 THR D C 5542 O O . THR D 114 ? 1.0396 1.2069 0.8877 0.0946 -0.2427 -0.1646 993 THR D O 5543 C CB . THR D 114 ? 1.0995 1.1539 0.7467 0.0396 -0.2202 -0.1309 993 THR D CB 5544 O OG1 . THR D 114 ? 1.0845 1.0964 0.7286 0.0580 -0.2663 -0.1288 993 THR D OG1 5545 C CG2 . THR D 114 ? 1.0273 1.0621 0.6119 0.0043 -0.1875 -0.1208 993 THR D CG2 5546 N N . VAL D 115 ? 1.0502 1.2053 0.8354 0.0789 -0.2194 -0.1655 994 VAL D N 5547 C CA . VAL D 115 ? 1.0181 1.1878 0.8428 0.0943 -0.2408 -0.1833 994 VAL D CA 5548 C C . VAL D 115 ? 1.1629 1.2824 0.9211 0.0913 -0.2666 -0.1852 994 VAL D C 5549 O O . VAL D 115 ? 1.2079 1.3056 0.9077 0.0747 -0.2457 -0.1790 994 VAL D O 5550 C CB . VAL D 115 ? 0.9777 1.1983 0.8578 0.0957 -0.2104 -0.1946 994 VAL D CB 5551 C CG1 . VAL D 115 ? 0.9599 1.1958 0.8805 0.1038 -0.2298 -0.2167 994 VAL D CG1 5552 C CG2 . VAL D 115 ? 0.9097 1.1665 0.8371 0.0956 -0.1869 -0.1903 994 VAL D CG2 5553 N N . VAL D 116 ? 1.1448 1.2475 0.9133 0.1073 -0.3130 -0.1973 995 VAL D N 5554 C CA . VAL D 116 ? 1.2154 1.2673 0.9222 0.1076 -0.3479 -0.2013 995 VAL D CA 5555 C C . VAL D 116 ? 1.2346 1.3279 1.0111 0.1237 -0.3720 -0.2296 995 VAL D C 5556 O O . VAL D 116 ? 1.1696 1.3180 1.0332 0.1350 -0.3711 -0.2467 995 VAL D O 5557 C CB . VAL D 116 ? 1.3629 1.3297 0.9861 0.1106 -0.3951 -0.1883 995 VAL D CB 5558 C CG1 . VAL D 116 ? 1.3976 1.3164 0.9351 0.0824 -0.3646 -0.1634 995 VAL D CG1 5559 C CG2 . VAL D 116 ? 1.3581 1.3322 1.0382 0.1394 -0.4384 -0.1994 995 VAL D CG2 5560 N N . SER D 117 ? 1.2346 1.3025 0.9714 0.1206 -0.3913 -0.2378 996 SER D N 5561 C CA . SER D 117 ? 1.1943 1.3015 0.9935 0.1317 -0.4170 -0.2687 996 SER D CA 5562 C C . SER D 117 ? 1.2854 1.3668 1.0882 0.1566 -0.4850 -0.2810 996 SER D C 5563 O O . SER D 117 ? 1.3636 1.3646 1.0755 0.1592 -0.5177 -0.2613 996 SER D O 5564 C CB . SER D 117 ? 1.2264 1.3157 0.9793 0.1172 -0.4101 -0.2736 996 SER D CB 5565 O OG . SER D 117 ? 1.1765 1.3220 0.9896 0.1080 -0.3716 -0.2898 996 SER D OG 5566 N N . LYS D 118 ? 1.1932 1.3399 1.0992 0.1740 -0.5058 -0.3159 997 LYS D N 5567 C CA . LYS D 118 ? 1.2416 1.3799 1.1757 0.2057 -0.5761 -0.3391 997 LYS D CA 5568 C C . LYS D 118 ? 1.4344 1.5257 1.3086 0.2105 -0.6276 -0.3469 997 LYS D C 5569 O O . LYS D 118 ? 1.4161 1.5300 1.2903 0.1914 -0.6064 -0.3564 997 LYS D O 5570 C CB . LYS D 118 ? 1.1728 1.4099 1.2453 0.2182 -0.5756 -0.3841 997 LYS D CB 5571 C CG . LYS D 118 ? 1.3008 1.5401 1.4215 0.2584 -0.6466 -0.4135 997 LYS D CG 5572 C CD . LYS D 118 ? 1.3402 1.6914 1.6050 0.2652 -0.6459 -0.4726 997 LYS D CD 5573 C CE . LYS D 118 ? 1.4146 1.7825 1.7472 0.3106 -0.7163 -0.5114 997 LYS D CE 5574 N NZ . LYS D 118 ? 1.4120 1.9021 1.8960 0.3104 -0.6983 -0.5733 997 LYS D NZ 5575 N N . GLU D 119 ? 1.5199 1.5322 1.3285 0.2343 -0.6963 -0.3404 998 GLU D N 5576 C CA . GLU D 119 ? 1.6282 1.5752 1.3594 0.2402 -0.7554 -0.3442 998 GLU D CA 5577 C C . GLU D 119 ? 1.6401 1.6716 1.4739 0.2516 -0.7815 -0.3936 998 GLU D C 5578 O O . GLU D 119 ? 1.5921 1.6990 1.5445 0.2785 -0.8077 -0.4339 998 GLU D O 5579 C CB . GLU D 119 ? 1.7763 1.6163 1.4219 0.2689 -0.8338 -0.3318 998 GLU D CB 5580 C CG . GLU D 119 ? 2.1017 1.8173 1.5880 0.2557 -0.8735 -0.3080 998 GLU D CG 5581 C CD . GLU D 119 ? 2.4879 2.1408 1.8524 0.2071 -0.8075 -0.2661 998 GLU D CD 5582 O OE1 . GLU D 119 ? 2.3482 1.9501 1.6528 0.1942 -0.7825 -0.2370 998 GLU D OE1 5583 O OE2 . GLU D 119 ? 2.6399 2.2976 1.9713 0.1809 -0.7798 -0.2665 998 GLU D OE2 5584 N N . GLY D 120 ? 1.6039 1.6292 1.3961 0.2266 -0.7656 -0.3935 999 GLY D N 5585 C CA . GLY D 120 ? 1.5689 1.6667 1.4400 0.2264 -0.7827 -0.4385 999 GLY D CA 5586 C C . GLY D 120 ? 1.4797 1.6958 1.4805 0.2101 -0.7240 -0.4704 999 GLY D C 5587 O O . GLY D 120 ? 1.4562 1.7412 1.5338 0.2066 -0.7373 -0.5152 999 GLY D O 5588 N N . LYS D 121 ? 1.3418 1.5786 1.3625 0.1967 -0.6594 -0.4495 1000 LYS D N 5589 C CA . LYS D 121 ? 1.2257 1.5541 1.3465 0.1760 -0.6003 -0.4742 1000 LYS D CA 5590 C C . LYS D 121 ? 1.2072 1.5095 1.2703 0.1458 -0.5262 -0.4361 1000 LYS D C 5591 O O . LYS D 121 ? 1.1468 1.4390 1.2023 0.1472 -0.4968 -0.4103 1000 LYS D O 5592 C CB . LYS D 121 ? 1.2013 1.5909 1.4245 0.1959 -0.6058 -0.4988 1000 LYS D CB 5593 C CG . LYS D 121 ? 1.3867 1.8298 1.7020 0.2285 -0.6752 -0.5533 1000 LYS D CG 5594 C CD . LYS D 121 ? 1.4793 2.0165 1.8902 0.2092 -0.6695 -0.6123 1000 LYS D CD 5595 C CE . LYS D 121 ? 1.6096 2.1950 2.0490 0.1607 -0.5849 -0.6185 1000 LYS D CE 5596 N NZ . LYS D 121 ? 1.7444 2.3770 2.2161 0.1320 -0.5789 -0.6589 1000 LYS D NZ 5597 N N . PRO D 122 ? 1.1710 1.4588 1.1906 0.1208 -0.4994 -0.4337 1001 PRO D N 5598 C CA . PRO D 122 ? 1.1406 1.3990 1.1050 0.0995 -0.4364 -0.4013 1001 PRO D CA 5599 C C . PRO D 122 ? 1.1221 1.4272 1.1463 0.0859 -0.3827 -0.4054 1001 PRO D C 5600 O O . PRO D 122 ? 1.1013 1.3820 1.0902 0.0824 -0.3446 -0.3748 1001 PRO D O 5601 C CB . PRO D 122 ? 1.2019 1.4351 1.1152 0.0804 -0.4299 -0.4077 1001 PRO D CB 5602 C CG . PRO D 122 ? 1.2671 1.5451 1.2402 0.0816 -0.4723 -0.4515 1001 PRO D CG 5603 C CD . PRO D 122 ? 1.2216 1.5140 1.2364 0.1134 -0.5295 -0.4616 1001 PRO D CD 5604 N N . ARG D 123 ? 1.0303 1.4017 1.1428 0.0761 -0.3805 -0.4463 1002 ARG D N 5605 C CA . ARG D 123 ? 0.9672 1.3751 1.1274 0.0558 -0.3312 -0.4553 1002 ARG D CA 5606 C C . ARG D 123 ? 0.9796 1.4092 1.1832 0.0724 -0.3313 -0.4477 1002 ARG D C 5607 O O . ARG D 123 ? 0.9356 1.3867 1.1684 0.0558 -0.2915 -0.4509 1002 ARG D O 5608 C CB . ARG D 123 ? 0.9657 1.4325 1.1939 0.0288 -0.3227 -0.5069 1002 ARG D CB 5609 C CG . ARG D 123 ? 1.1326 1.5712 1.3109 0.0031 -0.3070 -0.5123 1002 ARG D CG 5610 C CD . ARG D 123 ? 1.3984 1.8855 1.6292 -0.0367 -0.2822 -0.5610 1002 ARG D CD 5611 N NE . ARG D 123 ? 1.5694 2.0779 1.8322 -0.0636 -0.2354 -0.5720 1002 ARG D NE 5612 C CZ . ARG D 123 ? 1.8140 2.2709 2.0170 -0.0914 -0.1874 -0.5542 1002 ARG D CZ 5613 N NH1 . ARG D 123 ? 1.7042 2.0888 1.8191 -0.0892 -0.1787 -0.5226 1002 ARG D NH1 5614 N NH2 . ARG D 123 ? 1.6836 2.1541 1.9089 -0.1190 -0.1501 -0.5672 1002 ARG D NH2 5615 N N . THR D 124 ? 0.9606 1.3735 1.1567 0.1033 -0.3775 -0.4369 1003 THR D N 5616 C CA . THR D 124 ? 0.9383 1.3592 1.1644 0.1228 -0.3866 -0.4291 1003 THR D CA 5617 C C . THR D 124 ? 1.0273 1.3789 1.1649 0.1324 -0.3845 -0.3784 1003 THR D C 5618 O O . THR D 124 ? 1.0766 1.3735 1.1382 0.1368 -0.4062 -0.3594 1003 THR D O 5619 C CB . THR D 124 ? 1.0951 1.5474 1.3850 0.1519 -0.4472 -0.4645 1003 THR D CB 5620 O OG1 . THR D 124 ? 1.1675 1.6873 1.5347 0.1410 -0.4548 -0.5174 1003 THR D OG1 5621 C CG2 . THR D 124 ? 1.0258 1.5012 1.3690 0.1687 -0.4500 -0.4702 1003 THR D CG2 5622 N N . ILE D 125 ? 0.9476 1.3022 1.0934 0.1311 -0.3556 -0.3598 1004 ILE D N 5623 C CA . ILE D 125 ? 0.9621 1.2650 1.0386 0.1355 -0.3481 -0.3185 1004 ILE D CA 5624 C C . ILE D 125 ? 1.0177 1.3229 1.1226 0.1521 -0.3657 -0.3165 1004 ILE D C 5625 O O . ILE D 125 ? 0.9908 1.3477 1.1764 0.1556 -0.3638 -0.3447 1004 ILE D O 5626 C CB . ILE D 125 ? 0.9708 1.2661 1.0132 0.1163 -0.2934 -0.2937 1004 ILE D CB 5627 C CG1 . ILE D 125 ? 0.9124 1.2472 1.0090 0.1060 -0.2577 -0.3000 1004 ILE D CG1 5628 C CG2 . ILE D 125 ? 0.9993 1.2783 1.0016 0.1040 -0.2787 -0.2944 1004 ILE D CG2 5629 C CD1 . ILE D 125 ? 0.8732 1.2055 0.9728 0.1114 -0.2509 -0.2818 1004 ILE D CD1 5630 N N . ILE D 126 ? 1.0016 1.2484 1.0359 0.1579 -0.3777 -0.2851 1005 ILE D N 5631 C CA . ILE D 126 ? 0.9859 1.2179 1.0267 0.1707 -0.3918 -0.2774 1005 ILE D CA 5632 C C . ILE D 126 ? 1.0240 1.2393 1.0223 0.1527 -0.3489 -0.2442 1005 ILE D C 5633 O O . ILE D 126 ? 1.0685 1.2413 0.9889 0.1393 -0.3369 -0.2198 1005 ILE D O 5634 C CB . ILE D 126 ? 1.1015 1.2679 1.0918 0.1937 -0.4546 -0.2753 1005 ILE D CB 5635 C CG1 . ILE D 126 ? 1.1283 1.3164 1.1657 0.2153 -0.5047 -0.3127 1005 ILE D CG1 5636 C CG2 . ILE D 126 ? 1.1259 1.2740 1.1269 0.2085 -0.4696 -0.2714 1005 ILE D CG2 5637 C CD1 . ILE D 126 ? 1.3128 1.4165 1.2601 0.2288 -0.5627 -0.3021 1005 ILE D CD1 5638 N N . VAL D 127 ? 0.9041 1.1556 0.9553 0.1509 -0.3258 -0.2474 1006 VAL D N 5639 C CA . VAL D 127 ? 0.8677 1.1118 0.8909 0.1358 -0.2902 -0.2207 1006 VAL D CA 5640 C C . VAL D 127 ? 0.9267 1.1255 0.9177 0.1440 -0.3154 -0.2089 1006 VAL D C 5641 O O . VAL D 127 ? 0.9247 1.1241 0.9549 0.1648 -0.3491 -0.2286 1006 VAL D O 5642 C CB . VAL D 127 ? 0.8452 1.1425 0.9275 0.1249 -0.2506 -0.2281 1006 VAL D CB 5643 C CG1 . VAL D 127 ? 0.8294 1.1211 0.8795 0.1109 -0.2183 -0.2019 1006 VAL D CG1 5644 C CG2 . VAL D 127 ? 0.8143 1.1423 0.9240 0.1169 -0.2336 -0.2454 1006 VAL D CG2 5645 N N . ASN D 128 ? 0.8838 1.0412 0.8017 0.1273 -0.3004 -0.1810 1007 ASN D N 5646 C CA . ASN D 128 ? 0.9303 1.0291 0.7950 0.1262 -0.3188 -0.1659 1007 ASN D CA 5647 C C . ASN D 128 ? 0.9599 1.0708 0.8072 0.1011 -0.2755 -0.1470 1007 ASN D C 5648 O O . ASN D 128 ? 0.9602 1.0914 0.7902 0.0830 -0.2424 -0.1395 1007 ASN D O 5649 C CB . ASN D 128 ? 1.0153 1.0271 0.7788 0.1241 -0.3542 -0.1540 1007 ASN D CB 5650 C CG . ASN D 128 ? 1.1749 1.1664 0.9528 0.1543 -0.4103 -0.1740 1007 ASN D CG 5651 O OD1 . ASN D 128 ? 1.1271 1.1109 0.9417 0.1806 -0.4471 -0.1891 1007 ASN D OD1 5652 N ND2 . ASN D 128 ? 1.1330 1.1194 0.8876 0.1526 -0.4193 -0.1786 1007 ASN D ND2 5653 N N . TRP D 129 ? 0.9081 1.0083 0.7625 0.1010 -0.2771 -0.1429 1008 TRP D N 5654 C CA . TRP D 129 ? 0.8902 1.0069 0.7356 0.0769 -0.2394 -0.1285 1008 TRP D CA 5655 C C . TRP D 129 ? 0.9864 1.0484 0.7927 0.0727 -0.2548 -0.1194 1008 TRP D C 5656 O O . TRP D 129 ? 1.0275 1.0368 0.8171 0.0935 -0.2974 -0.1253 1008 TRP D O 5657 C CB . TRP D 129 ? 0.7886 0.9833 0.7188 0.0791 -0.2095 -0.1387 1008 TRP D CB 5658 C CG . TRP D 129 ? 0.7715 0.9855 0.7664 0.0966 -0.2234 -0.1574 1008 TRP D CG 5659 C CD1 . TRP D 129 ? 0.8054 1.0178 0.8169 0.0944 -0.2199 -0.1579 1008 TRP D CD1 5660 C CD2 . TRP D 129 ? 0.7514 0.9911 0.8036 0.1161 -0.2412 -0.1838 1008 TRP D CD2 5661 N NE1 . TRP D 129 ? 0.7766 1.0138 0.8541 0.1118 -0.2321 -0.1846 1008 TRP D NE1 5662 C CE2 . TRP D 129 ? 0.7812 1.0395 0.8879 0.1242 -0.2445 -0.2026 1008 TRP D CE2 5663 C CE3 . TRP D 129 ? 0.7677 1.0185 0.8312 0.1252 -0.2538 -0.1970 1008 TRP D CE3 5664 C CZ2 . TRP D 129 ? 0.7450 1.0411 0.9240 0.1392 -0.2566 -0.2384 1008 TRP D CZ2 5665 C CZ3 . TRP D 129 ? 0.7510 1.0386 0.8843 0.1388 -0.2664 -0.2297 1008 TRP D CZ3 5666 C CH2 . TRP D 129 ? 0.7358 1.0491 0.9287 0.1448 -0.2665 -0.2519 1008 TRP D CH2 5667 N N . GLN D 130 ? 0.9436 1.0182 0.7379 0.0476 -0.2227 -0.1079 1009 GLN D N 5668 C CA . GLN D 130 ? 0.9994 1.0251 0.7534 0.0359 -0.2281 -0.0986 1009 GLN D CA 5669 C C . GLN D 130 ? 0.9759 1.0603 0.7974 0.0330 -0.2031 -0.1032 1009 GLN D C 5670 O O . GLN D 130 ? 0.8966 1.0509 0.7703 0.0291 -0.1748 -0.1072 1009 GLN D O 5671 C CB . GLN D 130 ? 1.0927 1.0713 0.7506 -0.0041 -0.2089 -0.0816 1009 GLN D CB 5672 C CG . GLN D 130 ? 1.3571 1.2346 0.9112 -0.0077 -0.2423 -0.0735 1009 GLN D CG 5673 C CD . GLN D 130 ? 1.4799 1.2679 0.9939 0.0146 -0.2927 -0.0717 1009 GLN D CD 5674 O OE1 . GLN D 130 ? 1.4471 1.2009 0.9390 0.0047 -0.2918 -0.0660 1009 GLN D OE1 5675 N NE2 . GLN D 130 ? 1.1892 0.9371 0.6944 0.0472 -0.3407 -0.0792 1009 GLN D NE2 5676 N N . PRO D 131 ? 0.9664 1.0171 0.7818 0.0347 -0.2142 -0.1032 1010 PRO D N 5677 C CA . PRO D 131 ? 0.9016 1.0043 0.7734 0.0277 -0.1890 -0.1078 1010 PRO D CA 5678 C C . PRO D 131 ? 0.9448 1.0859 0.8045 -0.0053 -0.1511 -0.0959 1010 PRO D C 5679 O O . PRO D 131 ? 0.9988 1.1125 0.7947 -0.0299 -0.1424 -0.0852 1010 PRO D O 5680 C CB . PRO D 131 ? 0.9703 1.0120 0.8170 0.0329 -0.2102 -0.1093 1010 PRO D CB 5681 C CG . PRO D 131 ? 1.1058 1.0767 0.9111 0.0568 -0.2548 -0.1126 1010 PRO D CG 5682 C CD . PRO D 131 ? 1.0827 1.0390 0.8335 0.0434 -0.2524 -0.0997 1010 PRO D CD 5683 N N . PRO D 132 ? 0.8393 1.0425 0.7566 -0.0083 -0.1291 -0.1009 1011 PRO D N 5684 C CA . PRO D 132 ? 0.8139 1.0595 0.7286 -0.0341 -0.1007 -0.0946 1011 PRO D CA 5685 C C . PRO D 132 ? 0.9050 1.1167 0.7650 -0.0656 -0.0922 -0.0858 1011 PRO D C 5686 O O . PRO D 132 ? 0.9391 1.0940 0.7699 -0.0659 -0.1069 -0.0829 1011 PRO D O 5687 C CB . PRO D 132 ? 0.7754 1.0710 0.7503 -0.0275 -0.0906 -0.1014 1011 PRO D CB 5688 C CG . PRO D 132 ? 0.8299 1.1006 0.8268 -0.0114 -0.1053 -0.1109 1011 PRO D CG 5689 C CD . PRO D 132 ? 0.8035 1.0387 0.7864 0.0087 -0.1295 -0.1154 1011 PRO D CD 5690 N N . SER D 133 ? 0.8689 1.1172 0.7172 -0.0927 -0.0679 -0.0857 1012 SER D N 5691 C CA . SER D 133 ? 0.9279 1.1577 0.7287 -0.1319 -0.0521 -0.0822 1012 SER D CA 5692 C C . SER D 133 ? 0.9348 1.1821 0.7662 -0.1364 -0.0491 -0.0825 1012 SER D C 5693 O O . SER D 133 ? 0.9791 1.1731 0.7641 -0.1564 -0.0507 -0.0768 1012 SER D O 5694 C CB . SER D 133 ? 1.0079 1.2958 0.8105 -0.1596 -0.0235 -0.0923 1012 SER D CB 5695 O OG . SER D 133 ? 1.3396 1.5913 1.0877 -0.1693 -0.0210 -0.0922 1012 SER D OG 5696 N N . GLU D 134 ? 0.8040 1.1157 0.7041 -0.1188 -0.0464 -0.0889 1013 GLU D N 5697 C CA . GLU D 134 ? 0.7818 1.1103 0.7079 -0.1235 -0.0441 -0.0900 1013 GLU D CA 5698 C C . GLU D 134 ? 0.7800 1.0922 0.7369 -0.0954 -0.0578 -0.0926 1013 GLU D C 5699 O O . GLU D 134 ? 0.7207 1.0694 0.7176 -0.0840 -0.0565 -0.0974 1013 GLU D O 5700 C CB . GLU D 134 ? 0.7740 1.1789 0.7401 -0.1318 -0.0325 -0.0977 1013 GLU D CB 5701 C CG . GLU D 134 ? 0.9943 1.4318 0.9436 -0.1645 -0.0141 -0.1052 1013 GLU D CG 5702 C CD . GLU D 134 ? 1.4142 1.9401 1.4173 -0.1635 -0.0077 -0.1219 1013 GLU D CD 5703 O OE1 . GLU D 134 ? 1.4002 1.9533 1.4457 -0.1351 -0.0223 -0.1237 1013 GLU D OE1 5704 O OE2 . GLU D 134 ? 1.5176 2.0828 1.5177 -0.1918 0.0111 -0.1364 1013 GLU D OE2 5705 N N . ALA D 135 ? 0.7653 1.0180 0.6996 -0.0853 -0.0721 -0.0927 1014 ALA D N 5706 C CA . ALA D 135 ? 0.7394 0.9806 0.7090 -0.0612 -0.0830 -0.1044 1014 ALA D CA 5707 C C . ALA D 135 ? 0.7433 0.9923 0.7296 -0.0736 -0.0719 -0.1100 1014 ALA D C 5708 O O . ALA D 135 ? 0.6963 0.9606 0.7202 -0.0638 -0.0686 -0.1232 1014 ALA D O 5709 C CB . ALA D 135 ? 0.8040 0.9819 0.7480 -0.0443 -0.1067 -0.1084 1014 ALA D CB 5710 N N . ASN D 136 ? 0.7031 0.9380 0.6553 -0.1002 -0.0640 -0.1018 1015 ASN D N 5711 C CA . ASN D 136 ? 0.6718 0.9089 0.6262 -0.1189 -0.0532 -0.1048 1015 ASN D CA 5712 C C . ASN D 136 ? 0.6994 0.9034 0.6693 -0.1070 -0.0564 -0.1207 1015 ASN D C 5713 O O . ASN D 136 ? 0.6660 0.8758 0.6440 -0.1209 -0.0445 -0.1275 1015 ASN D O 5714 C CB . ASN D 136 ? 0.5966 0.8897 0.5773 -0.1262 -0.0440 -0.1039 1015 ASN D CB 5715 C CG . ASN D 136 ? 0.7926 1.1302 0.7724 -0.1343 -0.0419 -0.0969 1015 ASN D CG 5716 O OD1 . ASN D 136 ? 0.5412 0.9205 0.5472 -0.1250 -0.0440 -0.0986 1015 ASN D OD1 5717 N ND2 . ASN D 136 ? 0.7881 1.1155 0.7351 -0.1542 -0.0370 -0.0922 1015 ASN D ND2 5718 N N . GLY D 137 ? 0.6774 0.8481 0.6522 -0.0811 -0.0738 -0.1301 1016 GLY D N 5719 C CA . GLY D 137 ? 0.6938 0.8411 0.6973 -0.0619 -0.0811 -0.1545 1016 GLY D CA 5720 C C . GLY D 137 ? 0.7739 0.9056 0.7969 -0.0266 -0.1071 -0.1670 1016 GLY D C 5721 O O . GLY D 137 ? 0.7709 0.8993 0.7723 -0.0204 -0.1189 -0.1524 1016 GLY D O 5722 N N . LYS D 138 ? 0.7738 0.8983 0.8401 -0.0032 -0.1171 -0.1981 1017 LYS D N 5723 C CA . LYS D 138 ? 0.7932 0.9085 0.8890 0.0350 -0.1484 -0.2174 1017 LYS D CA 5724 C C . LYS D 138 ? 0.8100 0.9896 0.9591 0.0401 -0.1385 -0.2290 1017 LYS D C 5725 O O . LYS D 138 ? 0.7974 1.0231 0.9897 0.0260 -0.1107 -0.2474 1017 LYS D O 5726 C CB . LYS D 138 ? 0.8449 0.9344 0.9763 0.0624 -0.1670 -0.2538 1017 LYS D CB 5727 C CG . LYS D 138 ? 1.0420 1.0368 1.1003 0.0706 -0.1964 -0.2395 1017 LYS D CG 5728 C CD . LYS D 138 ? 1.1478 1.1078 1.2374 0.1017 -0.2182 -0.2772 1017 LYS D CD 5729 C CE . LYS D 138 ? 1.2138 1.1359 1.2681 0.0780 -0.1990 -0.2740 1017 LYS D CE 5730 N NZ . LYS D 138 ? 1.2464 1.2402 1.3429 0.0435 -0.1492 -0.2825 1017 LYS D NZ 5731 N N . ILE D 139 ? 0.7512 0.9258 0.8861 0.0553 -0.1593 -0.2175 1018 ILE D N 5732 C CA . ILE D 139 ? 0.6936 0.9211 0.8705 0.0597 -0.1522 -0.2273 1018 ILE D CA 5733 C C . ILE D 139 ? 0.7586 1.0197 1.0133 0.0814 -0.1594 -0.2731 1018 ILE D C 5734 O O . ILE D 139 ? 0.8153 1.0518 1.0870 0.1138 -0.1951 -0.2930 1018 ILE D O 5735 C CB . ILE D 139 ? 0.7334 0.9459 0.8692 0.0661 -0.1692 -0.2031 1018 ILE D CB 5736 C CG1 . ILE D 139 ? 0.7376 0.9375 0.8105 0.0380 -0.1521 -0.1670 1018 ILE D CG1 5737 C CG2 . ILE D 139 ? 0.7006 0.9626 0.8795 0.0721 -0.1636 -0.2163 1018 ILE D CG2 5738 C CD1 . ILE D 139 ? 0.7900 1.0382 0.8764 0.0104 -0.1157 -0.1593 1018 ILE D CD1 5739 N N . THR D 140 ? 0.6588 0.9730 0.9578 0.0621 -0.1266 -0.2931 1019 THR D N 5740 C CA . THR D 140 ? 0.6307 0.9916 1.0104 0.0707 -0.1212 -0.3450 1019 THR D CA 5741 C C . THR D 140 ? 0.6388 1.0383 1.0505 0.0759 -0.1247 -0.3585 1019 THR D C 5742 O O . THR D 140 ? 0.6260 1.0726 1.1090 0.0797 -0.1195 -0.4061 1019 THR D O 5743 C CB . THR D 140 ? 0.7050 1.0892 1.1029 0.0370 -0.0781 -0.3651 1019 THR D CB 5744 O OG1 . THR D 140 ? 0.7988 1.1851 1.1526 0.0038 -0.0505 -0.3372 1019 THR D OG1 5745 C CG2 . THR D 140 ? 0.7166 1.0655 1.0920 0.0341 -0.0766 -0.3602 1019 THR D CG2 5746 N N . GLY D 141 ? 0.5746 0.9583 0.9360 0.0727 -0.1299 -0.3211 1020 GLY D N 5747 C CA . GLY D 141 ? 0.5467 0.9591 0.9280 0.0752 -0.1322 -0.3307 1020 GLY D CA 5748 C C . GLY D 141 ? 0.5771 0.9731 0.8984 0.0625 -0.1241 -0.2896 1020 GLY D C 5749 O O . GLY D 141 ? 0.5582 0.9281 0.8295 0.0527 -0.1178 -0.2565 1020 GLY D O 5750 N N . TYR D 142 ? 0.5646 0.9790 0.8949 0.0634 -0.1249 -0.2958 1021 TYR D N 5751 C CA . TYR D 142 ? 0.5584 0.9612 0.8409 0.0557 -0.1183 -0.2653 1021 TYR D CA 5752 C C . TYR D 142 ? 0.6320 1.0578 0.9319 0.0394 -0.0986 -0.2844 1021 TYR D C 5753 O O . TYR D 142 ? 0.6543 1.1106 1.0069 0.0344 -0.0931 -0.3238 1021 TYR D O 5754 C CB . TYR D 142 ? 0.5823 0.9625 0.8362 0.0787 -0.1501 -0.2484 1021 TYR D CB 5755 C CG . TYR D 142 ? 0.6330 0.9731 0.8456 0.0873 -0.1682 -0.2258 1021 TYR D CG 5756 C CD1 . TYR D 142 ? 0.6404 0.9636 0.8013 0.0726 -0.1542 -0.1935 1021 TYR D CD1 5757 C CD2 . TYR D 142 ? 0.6851 1.0013 0.9087 0.1092 -0.2003 -0.2400 1021 TYR D CD2 5758 C CE1 . TYR D 142 ? 0.6542 0.9375 0.7702 0.0715 -0.1658 -0.1755 1021 TYR D CE1 5759 C CE2 . TYR D 142 ? 0.7456 1.0075 0.9141 0.1127 -0.2173 -0.2182 1021 TYR D CE2 5760 C CZ . TYR D 142 ? 0.7982 1.0436 0.9104 0.0897 -0.1967 -0.1856 1021 TYR D CZ 5761 O OH . TYR D 142 ? 0.8605 1.0499 0.9125 0.0848 -0.2088 -0.1670 1021 TYR D OH 5762 N N . ILE D 143 ? 0.5826 0.9933 0.8383 0.0301 -0.0879 -0.2604 1022 ILE D N 5763 C CA . ILE D 143 ? 0.5838 0.9981 0.8365 0.0144 -0.0725 -0.2735 1022 ILE D CA 5764 C C . ILE D 143 ? 0.6530 1.0513 0.8687 0.0282 -0.0844 -0.2501 1022 ILE D C 5765 O O . ILE D 143 ? 0.6469 1.0279 0.8236 0.0325 -0.0841 -0.2211 1022 ILE D O 5766 C CB . ILE D 143 ? 0.6350 1.0322 0.8618 -0.0189 -0.0414 -0.2771 1022 ILE D CB 5767 C CG1 . ILE D 143 ? 0.6297 1.0445 0.8925 -0.0387 -0.0231 -0.3068 1022 ILE D CG1 5768 C CG2 . ILE D 143 ? 0.6501 1.0335 0.8560 -0.0368 -0.0285 -0.2889 1022 ILE D CG2 5769 C CD1 . ILE D 143 ? 0.7901 1.1755 1.0116 -0.0768 0.0073 -0.3091 1022 ILE D CD1 5770 N N . ILE D 144 ? 0.5916 1.0008 0.8243 0.0344 -0.0945 -0.2674 1023 ILE D N 5771 C CA . ILE D 144 ? 0.5962 0.9901 0.7954 0.0444 -0.1028 -0.2525 1023 ILE D CA 5772 C C . ILE D 144 ? 0.7016 1.0784 0.8763 0.0242 -0.0815 -0.2582 1023 ILE D C 5773 O O . ILE D 144 ? 0.7195 1.1030 0.9124 0.0004 -0.0648 -0.2850 1023 ILE D O 5774 C CB . ILE D 144 ? 0.6314 1.0370 0.8523 0.0615 -0.1298 -0.2673 1023 ILE D CB 5775 C CG1 . ILE D 144 ? 0.6406 1.0407 0.8661 0.0814 -0.1563 -0.2597 1023 ILE D CG1 5776 C CG2 . ILE D 144 ? 0.6149 1.0025 0.7974 0.0672 -0.1346 -0.2557 1023 ILE D CG2 5777 C CD1 . ILE D 144 ? 0.7194 1.1154 0.9525 0.1015 -0.1926 -0.2718 1023 ILE D CD1 5778 N N . TYR D 145 ? 0.6838 1.0350 0.8144 0.0321 -0.0817 -0.2365 1024 TYR D N 5779 C CA . TYR D 145 ? 0.7216 1.0391 0.8140 0.0197 -0.0693 -0.2384 1024 TYR D CA 5780 C C . TYR D 145 ? 0.7658 1.0755 0.8400 0.0367 -0.0802 -0.2334 1024 TYR D C 5781 O O . TYR D 145 ? 0.7462 1.0648 0.8156 0.0571 -0.0911 -0.2170 1024 TYR D O 5782 C CB . TYR D 145 ? 0.7609 1.0453 0.8117 0.0191 -0.0636 -0.2178 1024 TYR D CB 5783 C CG . TYR D 145 ? 0.8024 1.0851 0.8574 -0.0002 -0.0525 -0.2196 1024 TYR D CG 5784 C CD1 . TYR D 145 ? 0.8222 1.1311 0.9005 0.0092 -0.0582 -0.2082 1024 TYR D CD1 5785 C CD2 . TYR D 145 ? 0.8483 1.0940 0.8721 -0.0322 -0.0344 -0.2326 1024 TYR D CD2 5786 C CE1 . TYR D 145 ? 0.8407 1.1450 0.9191 -0.0095 -0.0472 -0.2105 1024 TYR D CE1 5787 C CE2 . TYR D 145 ? 0.8698 1.1082 0.8886 -0.0540 -0.0216 -0.2353 1024 TYR D CE2 5788 C CZ . TYR D 145 ? 0.9372 1.2068 0.9857 -0.0406 -0.0288 -0.2238 1024 TYR D CZ 5789 O OH . TYR D 145 ? 0.9176 1.1772 0.9575 -0.0630 -0.0158 -0.2270 1024 TYR D OH 5790 N N . TYR D 146 ? 0.7293 1.0200 0.7882 0.0243 -0.0744 -0.2492 1025 TYR D N 5791 C CA . TYR D 146 ? 0.7317 1.0081 0.7664 0.0385 -0.0826 -0.2459 1025 TYR D CA 5792 C C . TYR D 146 ? 0.8214 1.0465 0.8072 0.0264 -0.0719 -0.2506 1025 TYR D C 5793 O O . TYR D 146 ? 0.8757 1.0769 0.8471 -0.0024 -0.0571 -0.2640 1025 TYR D O 5794 C CB . TYR D 146 ? 0.7326 1.0379 0.7963 0.0435 -0.0980 -0.2601 1025 TYR D CB 5795 C CG . TYR D 146 ? 0.7537 1.0771 0.8499 0.0210 -0.0947 -0.2930 1025 TYR D CG 5796 C CD1 . TYR D 146 ? 0.7578 1.1209 0.9092 0.0138 -0.0967 -0.3127 1025 TYR D CD1 5797 C CD2 . TYR D 146 ? 0.7915 1.0971 0.8680 0.0067 -0.0895 -0.3094 1025 TYR D CD2 5798 C CE1 . TYR D 146 ? 0.7932 1.1876 0.9884 -0.0074 -0.0921 -0.3522 1025 TYR D CE1 5799 C CE2 . TYR D 146 ? 0.8176 1.1499 0.9308 -0.0188 -0.0840 -0.3461 1025 TYR D CE2 5800 C CZ . TYR D 146 ? 0.8698 1.2525 1.0478 -0.0248 -0.0858 -0.3697 1025 TYR D CZ 5801 O OH . TYR D 146 ? 0.8742 1.2979 1.1026 -0.0496 -0.0796 -0.4147 1025 TYR D OH 5802 N N . SER D 147 ? 0.7799 0.9816 0.7339 0.0460 -0.0778 -0.2412 1026 SER D N 5803 C CA . SER D 147 ? 0.8515 0.9917 0.7502 0.0407 -0.0726 -0.2446 1026 SER D CA 5804 C C . SER D 147 ? 0.9585 1.0911 0.8411 0.0611 -0.0794 -0.2454 1026 SER D C 5805 O O . SER D 147 ? 0.9313 1.1008 0.8360 0.0818 -0.0863 -0.2383 1026 SER D O 5806 C CB . SER D 147 ? 0.9342 1.0308 0.7951 0.0509 -0.0752 -0.2292 1026 SER D CB 5807 O OG . SER D 147 ? 1.2048 1.2212 0.9977 0.0416 -0.0738 -0.2330 1026 SER D OG 5808 N N . THR D 148 ? 0.9674 1.0449 0.8028 0.0513 -0.0752 -0.2554 1027 THR D N 5809 C CA . THR D 148 ? 0.9806 1.0387 0.7913 0.0696 -0.0794 -0.2587 1027 THR D CA 5810 C C . THR D 148 ? 1.0790 1.1054 0.8636 0.1027 -0.0865 -0.2481 1027 THR D C 5811 O O . THR D 148 ? 1.1104 1.1405 0.8917 0.1270 -0.0892 -0.2517 1027 THR D O 5812 C CB . THR D 148 ? 1.0360 1.0470 0.8069 0.0439 -0.0725 -0.2761 1027 THR D CB 5813 O OG1 . THR D 148 ? 1.1296 1.0694 0.8461 0.0250 -0.0658 -0.2762 1027 THR D OG1 5814 C CG2 . THR D 148 ? 0.9310 0.9893 0.7426 0.0165 -0.0700 -0.2943 1027 THR D CG2 5815 N N . ASP D 149 ? 1.0659 1.0633 0.8339 0.1040 -0.0908 -0.2387 1028 ASP D N 5816 C CA . ASP D 149 ? 1.1044 1.0742 0.8542 0.1389 -0.1057 -0.2319 1028 ASP D CA 5817 C C . ASP D 149 ? 1.1139 1.1389 0.9094 0.1486 -0.1101 -0.2203 1028 ASP D C 5818 O O . ASP D 149 ? 1.1052 1.1238 0.8978 0.1268 -0.1077 -0.2126 1028 ASP D O 5819 C CB . ASP D 149 ? 1.2276 1.0916 0.8971 0.1330 -0.1155 -0.2310 1028 ASP D CB 5820 C CG . ASP D 149 ? 1.4239 1.2487 1.0707 0.1736 -0.1419 -0.2258 1028 ASP D CG 5821 O OD1 . ASP D 149 ? 1.4370 1.3060 1.1240 0.2136 -0.1506 -0.2335 1028 ASP D OD1 5822 O OD2 . ASP D 149 ? 1.5282 1.2749 1.1135 0.1646 -0.1549 -0.2176 1028 ASP D OD2 5823 N N . VAL D 150 ? 1.0715 1.1513 0.9076 0.1775 -0.1134 -0.2224 1029 VAL D N 5824 C CA . VAL D 150 ? 1.0362 1.1758 0.9183 0.1867 -0.1157 -0.2152 1029 VAL D CA 5825 C C . VAL D 150 ? 1.1631 1.2677 1.0264 0.2010 -0.1350 -0.2091 1029 VAL D C 5826 O O . VAL D 150 ? 1.1528 1.2885 1.0397 0.1937 -0.1363 -0.1997 1029 VAL D O 5827 C CB . VAL D 150 ? 1.0618 1.2659 0.9850 0.2072 -0.1090 -0.2263 1029 VAL D CB 5828 C CG1 . VAL D 150 ? 1.1035 1.2887 1.0182 0.2432 -0.1183 -0.2448 1029 VAL D CG1 5829 C CG2 . VAL D 150 ? 1.0100 1.2797 0.9786 0.2061 -0.1058 -0.2212 1029 VAL D CG2 5830 N N . ASN D 151 ? 1.2049 1.2366 1.0186 0.2215 -0.1531 -0.2146 1030 ASN D N 5831 C CA . ASN D 151 ? 1.2589 1.2384 1.0397 0.2412 -0.1815 -0.2100 1030 ASN D CA 5832 C C . ASN D 151 ? 1.3829 1.2747 1.0900 0.2065 -0.1837 -0.1960 1030 ASN D C 5833 O O . ASN D 151 ? 1.4559 1.2900 1.1197 0.2176 -0.2099 -0.1893 1030 ASN D O 5834 C CB . ASN D 151 ? 1.3025 1.2424 1.0651 0.2884 -0.2073 -0.2263 1030 ASN D CB 5835 C CG . ASN D 151 ? 1.3812 1.4142 1.2193 0.3170 -0.1979 -0.2476 1030 ASN D CG 5836 O OD1 . ASN D 151 ? 1.1520 1.2736 1.0564 0.3226 -0.1927 -0.2521 1030 ASN D OD1 5837 N ND2 . ASN D 151 ? 1.2169 1.2305 1.0419 0.3292 -0.1913 -0.2630 1030 ASN D ND2 5838 N N . ALA D 152 ? 1.3185 1.2023 1.0117 0.1624 -0.1568 -0.1950 1031 ALA D N 5839 C CA . ALA D 152 ? 1.3677 1.1766 0.9940 0.1187 -0.1486 -0.1895 1031 ALA D CA 5840 C C . ALA D 152 ? 1.3670 1.1969 1.0061 0.1035 -0.1488 -0.1784 1031 ALA D C 5841 O O . ALA D 152 ? 1.2761 1.1970 0.9903 0.1124 -0.1434 -0.1758 1031 ALA D O 5842 C CB . ALA D 152 ? 1.3542 1.1771 0.9873 0.0770 -0.1179 -0.2007 1031 ALA D CB 5843 N N . GLU D 153 ? 1.3946 1.1314 0.9505 0.0779 -0.1547 -0.1720 1032 GLU D N 5844 C CA . GLU D 153 ? 1.3834 1.1281 0.9385 0.0569 -0.1523 -0.1630 1032 GLU D CA 5845 C C . GLU D 153 ? 1.3709 1.1890 0.9848 0.0174 -0.1145 -0.1722 1032 GLU D C 5846 O O . GLU D 153 ? 1.3740 1.1988 0.9946 -0.0072 -0.0916 -0.1869 1032 GLU D O 5847 C CB . GLU D 153 ? 1.5294 1.1415 0.9635 0.0308 -0.1652 -0.1558 1032 GLU D CB 5848 C CG . GLU D 153 ? 1.7476 1.3065 1.1414 0.0749 -0.2143 -0.1435 1032 GLU D CG 5849 C CD . GLU D 153 ? 2.3388 1.7396 1.5888 0.0524 -0.2363 -0.1344 1032 GLU D CD 5850 O OE1 . GLU D 153 ? 2.5115 1.8154 1.6750 0.0252 -0.2269 -0.1389 1032 GLU D OE1 5851 O OE2 . GLU D 153 ? 2.2870 1.6540 1.5028 0.0593 -0.2642 -0.1230 1032 GLU D OE2 5852 N N . ILE D 154 ? 1.2704 1.1461 0.9312 0.0144 -0.1107 -0.1666 1033 ILE D N 5853 C CA . ILE D 154 ? 1.1959 1.1445 0.9209 -0.0126 -0.0819 -0.1774 1033 ILE D CA 5854 C C . ILE D 154 ? 1.3539 1.2757 1.0548 -0.0650 -0.0504 -0.1981 1033 ILE D C 5855 O O . ILE D 154 ? 1.3066 1.2958 1.0736 -0.0751 -0.0323 -0.2159 1033 ILE D O 5856 C CB . ILE D 154 ? 1.1606 1.1628 0.9298 -0.0062 -0.0853 -0.1678 1033 ILE D CB 5857 C CG1 . ILE D 154 ? 1.0586 1.1502 0.9125 -0.0103 -0.0675 -0.1776 1033 ILE D CG1 5858 C CG2 . ILE D 154 ? 1.2081 1.1472 0.9137 -0.0364 -0.0837 -0.1630 1033 ILE D CG2 5859 C CD1 . ILE D 154 ? 0.9883 1.1327 0.8907 0.0198 -0.0747 -0.1777 1033 ILE D CD1 5860 N N . HIS D 155 ? 1.4374 1.2590 1.0413 -0.0993 -0.0452 -0.1991 1034 HIS D N 5861 C CA . HIS D 155 ? 1.4966 1.2873 1.0676 -0.1586 -0.0093 -0.2247 1034 HIS D CA 5862 C C . HIS D 155 ? 1.5378 1.3378 1.1219 -0.1632 0.0003 -0.2423 1034 HIS D C 5863 O O . HIS D 155 ? 1.5445 1.3811 1.1615 -0.2026 0.0314 -0.2727 1034 HIS D O 5864 C CB . HIS D 155 ? 1.6542 1.3186 1.0972 -0.2019 -0.0045 -0.2209 1034 HIS D CB 5865 C CG . HIS D 155 ? 1.8054 1.3636 1.1527 -0.1708 -0.0456 -0.1946 1034 HIS D CG 5866 N ND1 . HIS D 155 ? 1.8633 1.3871 1.1766 -0.1480 -0.0769 -0.1722 1034 HIS D ND1 5867 C CD2 . HIS D 155 ? 1.9154 1.3927 1.1943 -0.1587 -0.0627 -0.1910 1034 HIS D CD2 5868 C CE1 . HIS D 155 ? 1.9551 1.3815 1.1859 -0.1191 -0.1152 -0.1577 1034 HIS D CE1 5869 N NE2 . HIS D 155 ? 1.9958 1.3859 1.1992 -0.1246 -0.1074 -0.1678 1034 HIS D NE2 5870 N N . ASP D 156 ? 1.4612 1.2360 1.0274 -0.1215 -0.0267 -0.2273 1035 ASP D N 5871 C CA . ASP D 156 ? 1.4306 1.2065 1.0013 -0.1206 -0.0221 -0.2409 1035 ASP D CA 5872 C C . ASP D 156 ? 1.2718 1.1648 0.9543 -0.0992 -0.0195 -0.2517 1035 ASP D C 5873 O O . ASP D 156 ? 1.2716 1.1794 0.9684 -0.1102 -0.0105 -0.2701 1035 ASP D O 5874 C CB . ASP D 156 ? 1.5290 1.2233 1.0302 -0.0849 -0.0516 -0.2240 1035 ASP D CB 5875 C CG . ASP D 156 ? 1.8976 1.4521 1.2691 -0.1051 -0.0623 -0.2142 1035 ASP D CG 5876 O OD1 . ASP D 156 ? 1.9993 1.5056 1.3156 -0.1635 -0.0361 -0.2250 1035 ASP D OD1 5877 O OD2 . ASP D 156 ? 2.0550 1.5443 1.3765 -0.0630 -0.0978 -0.1983 1035 ASP D OD2 5878 N N . TRP D 157 ? 1.0801 1.0479 0.8329 -0.0715 -0.0291 -0.2409 1036 TRP D N 5879 C CA . TRP D 157 ? 0.9660 1.0283 0.8089 -0.0510 -0.0322 -0.2478 1036 TRP D CA 5880 C C . TRP D 157 ? 0.9887 1.0972 0.8801 -0.0866 -0.0105 -0.2784 1036 TRP D C 5881 O O . TRP D 157 ? 1.0238 1.1088 0.8929 -0.1253 0.0108 -0.2917 1036 TRP D O 5882 C CB . TRP D 157 ? 0.8783 0.9891 0.7639 -0.0180 -0.0474 -0.2274 1036 TRP D CB 5883 C CG . TRP D 157 ? 0.8823 0.9813 0.7510 0.0220 -0.0683 -0.2077 1036 TRP D CG 5884 C CD1 . TRP D 157 ? 0.9778 1.0104 0.7856 0.0348 -0.0813 -0.1976 1036 TRP D CD1 5885 C CD2 . TRP D 157 ? 0.8233 0.9783 0.7367 0.0536 -0.0787 -0.2007 1036 TRP D CD2 5886 N NE1 . TRP D 157 ? 0.9461 1.0027 0.7724 0.0754 -0.0982 -0.1899 1036 TRP D NE1 5887 C CE2 . TRP D 157 ? 0.8968 1.0288 0.7850 0.0831 -0.0929 -0.1917 1036 TRP D CE2 5888 C CE3 . TRP D 157 ? 0.7788 0.9944 0.7445 0.0584 -0.0786 -0.2034 1036 TRP D CE3 5889 C CZ2 . TRP D 157 ? 0.8573 1.0355 0.7771 0.1114 -0.0990 -0.1895 1036 TRP D CZ2 5890 C CZ3 . TRP D 157 ? 0.7757 1.0207 0.7553 0.0835 -0.0867 -0.1956 1036 TRP D CZ3 5891 C CH2 . TRP D 157 ? 0.8062 1.0376 0.7661 0.1068 -0.0928 -0.1905 1036 TRP D CH2 5892 N N . VAL D 158 ? 0.8705 1.0426 0.8262 -0.0747 -0.0168 -0.2933 1037 VAL D N 5893 C CA . VAL D 158 ? 0.8334 1.0633 0.8533 -0.0991 -0.0039 -0.3296 1037 VAL D CA 5894 C C . VAL D 158 ? 0.8456 1.1286 0.9243 -0.0810 -0.0123 -0.3256 1037 VAL D C 5895 O O . VAL D 158 ? 0.7797 1.0788 0.8715 -0.0442 -0.0349 -0.3014 1037 VAL D O 5896 C CB . VAL D 158 ? 0.8572 1.1227 0.9131 -0.0921 -0.0150 -0.3500 1037 VAL D CB 5897 C CG1 . VAL D 158 ? 0.8370 1.1686 0.9682 -0.1155 -0.0057 -0.3962 1037 VAL D CG1 5898 C CG2 . VAL D 158 ? 0.9107 1.1139 0.8983 -0.1078 -0.0076 -0.3497 1037 VAL D CG2 5899 N N . ILE D 159 ? 0.8666 1.1710 0.9738 -0.1104 0.0087 -0.3508 1038 ILE D N 5900 C CA . ILE D 159 ? 0.8526 1.2008 1.0131 -0.0970 0.0035 -0.3520 1038 ILE D CA 5901 C C . ILE D 159 ? 0.8835 1.3040 1.1333 -0.0825 -0.0108 -0.3855 1038 ILE D C 5902 O O . ILE D 159 ? 0.9141 1.3667 1.2021 -0.1065 0.0023 -0.4281 1038 ILE D O 5903 C CB . ILE D 159 ? 0.9457 1.2706 1.0817 -0.1342 0.0329 -0.3606 1038 ILE D CB 5904 C CG1 . ILE D 159 ? 1.0180 1.2694 1.0671 -0.1324 0.0298 -0.3194 1038 ILE D CG1 5905 C CG2 . ILE D 159 ? 0.9198 1.2966 1.1217 -0.1260 0.0326 -0.3747 1038 ILE D CG2 5906 C CD1 . ILE D 159 ? 1.2869 1.4512 1.2392 -0.1576 0.0390 -0.3114 1038 ILE D CD1 5907 N N . GLU D 160 ? 0.7856 1.2277 1.0650 -0.0437 -0.0399 -0.3686 1039 GLU D N 5908 C CA . GLU D 160 ? 0.7424 1.2374 1.0961 -0.0204 -0.0658 -0.3962 1039 GLU D CA 5909 C C . GLU D 160 ? 0.7523 1.2565 1.1300 -0.0022 -0.0763 -0.3890 1039 GLU D C 5910 O O . GLU D 160 ? 0.7439 1.2232 1.0909 0.0233 -0.0974 -0.3530 1039 GLU D O 5911 C CB . GLU D 160 ? 0.7549 1.2444 1.0983 0.0095 -0.1002 -0.3819 1039 GLU D CB 5912 C CG . GLU D 160 ? 0.8672 1.3681 1.2174 -0.0062 -0.0965 -0.4079 1039 GLU D CG 5913 C CD . GLU D 160 ? 1.1808 1.7445 1.6147 -0.0057 -0.1109 -0.4616 1039 GLU D CD 5914 O OE1 . GLU D 160 ? 0.9923 1.5927 1.4870 0.0137 -0.1293 -0.4824 1039 GLU D OE1 5915 O OE2 . GLU D 160 ? 1.2427 1.8194 1.6831 -0.0232 -0.1064 -0.4856 1039 GLU D OE2 5916 N N . PRO D 161 ? 0.6892 1.2261 1.1170 -0.0193 -0.0578 -0.4249 1040 PRO D N 5917 C CA . PRO D 161 ? 0.6644 1.2036 1.1109 -0.0029 -0.0664 -0.4194 1040 PRO D CA 5918 C C . PRO D 161 ? 0.7558 1.3166 1.2533 0.0394 -0.1105 -0.4332 1040 PRO D C 5919 O O . PRO D 161 ? 0.7570 1.3568 1.3108 0.0513 -0.1297 -0.4704 1040 PRO D O 5920 C CB . PRO D 161 ? 0.6777 1.2428 1.1577 -0.0397 -0.0273 -0.4593 1040 PRO D CB 5921 C CG . PRO D 161 ? 0.7563 1.3211 1.2184 -0.0807 0.0040 -0.4795 1040 PRO D CG 5922 C CD . PRO D 161 ? 0.7149 1.2856 1.1801 -0.0595 -0.0234 -0.4749 1040 PRO D CD 5923 N N . VAL D 162 ? 0.7633 1.2924 1.2341 0.0612 -0.1294 -0.4032 1041 VAL D N 5924 C CA . VAL D 162 ? 0.7962 1.3169 1.2874 0.1010 -0.1753 -0.4073 1041 VAL D CA 5925 C C . VAL D 162 ? 0.9474 1.4715 1.4665 0.1021 -0.1671 -0.4219 1041 VAL D C 5926 O O . VAL D 162 ? 0.9099 1.4030 1.3814 0.0867 -0.1467 -0.3904 1041 VAL D O 5927 C CB . VAL D 162 ? 0.8410 1.3024 1.2526 0.1185 -0.2018 -0.3558 1041 VAL D CB 5928 C CG1 . VAL D 162 ? 0.8733 1.3052 1.2850 0.1561 -0.2539 -0.3597 1041 VAL D CG1 5929 C CG2 . VAL D 162 ? 0.8327 1.2879 1.2086 0.1113 -0.1992 -0.3394 1041 VAL D CG2 5930 N N . VAL D 163 ? 0.9814 1.5472 1.5827 0.1210 -0.1840 -0.4744 1042 VAL D N 5931 C CA . VAL D 163 ? 1.0073 1.5797 1.6449 0.1261 -0.1782 -0.4977 1042 VAL D CA 5932 C C . VAL D 163 ? 1.1163 1.6345 1.7285 0.1684 -0.2284 -0.4798 1042 VAL D C 5933 O O . VAL D 163 ? 1.1329 1.6390 1.7574 0.2066 -0.2801 -0.4899 1042 VAL D O 5934 C CB . VAL D 163 ? 1.0510 1.7020 1.7960 0.1182 -0.1596 -0.5722 1042 VAL D CB 5935 C CG1 . VAL D 163 ? 1.0275 1.7017 1.7646 0.0601 -0.0940 -0.5825 1042 VAL D CG1 5936 C CG2 . VAL D 163 ? 1.0564 1.7575 1.8700 0.1414 -0.1922 -0.6143 1042 VAL D CG2 5937 N N . GLY D 164 ? 1.0978 1.5764 1.6661 0.1587 -0.2137 -0.4536 1043 GLY D N 5938 C CA . GLY D 164 ? 1.1475 1.5586 1.6708 0.1877 -0.2524 -0.4318 1043 GLY D CA 5939 C C . GLY D 164 ? 1.2098 1.5549 1.6319 0.1848 -0.2676 -0.3726 1043 GLY D C 5940 O O . GLY D 164 ? 1.1574 1.5163 1.5557 0.1672 -0.2518 -0.3523 1043 GLY D O 5941 N N . ASN D 165 ? 1.2259 1.4955 1.5846 0.2003 -0.2975 -0.3480 1044 ASN D N 5942 C CA . ASN D 165 ? 1.2514 1.4573 1.5100 0.1911 -0.3081 -0.2977 1044 ASN D CA 5943 C C . ASN D 165 ? 1.2907 1.4646 1.5268 0.2194 -0.3577 -0.2988 1044 ASN D C 5944 O O . ASN D 165 ? 1.3773 1.4675 1.5458 0.2387 -0.4019 -0.2848 1044 ASN D O 5945 C CB . ASN D 165 ? 1.3622 1.4959 1.5449 0.1809 -0.3094 -0.2681 1044 ASN D CB 5946 C CG . ASN D 165 ? 1.7722 1.8516 1.8524 0.1576 -0.3060 -0.2208 1044 ASN D CG 5947 O OD1 . ASN D 165 ? 1.4988 1.6125 1.5658 0.1267 -0.2668 -0.1995 1044 ASN D OD1 5948 N ND2 . ASN D 165 ? 1.8438 1.8336 1.8461 0.1715 -0.3481 -0.2069 1044 ASN D ND2 5949 N N . ARG D 166 ? 1.1414 1.3751 1.4271 0.2191 -0.3512 -0.3166 1045 ARG D N 5950 C CA . ARG D 166 ? 1.1525 1.3661 1.4184 0.2395 -0.3921 -0.3178 1045 ARG D CA 5951 C C . ARG D 166 ? 1.1146 1.3022 1.2971 0.2092 -0.3669 -0.2721 1045 ARG D C 5952 O O . ARG D 166 ? 1.0493 1.2753 1.2376 0.1790 -0.3172 -0.2585 1045 ARG D O 5953 C CB . ARG D 166 ? 1.1235 1.4211 1.4872 0.2477 -0.3909 -0.3632 1045 ARG D CB 5954 C CG . ARG D 166 ? 1.3003 1.6443 1.7656 0.2766 -0.4121 -0.4210 1045 ARG D CG 5955 C CD . ARG D 166 ? 1.3600 1.7970 1.9229 0.2726 -0.3997 -0.4699 1045 ARG D CD 5956 N NE . ARG D 166 ? 1.4524 1.9452 2.1237 0.2990 -0.4171 -0.5342 1045 ARG D NE 5957 C CZ . ARG D 166 ? 1.5719 2.0786 2.2998 0.3440 -0.4774 -0.5766 1045 ARG D CZ 5958 N NH1 . ARG D 166 ? 1.2706 1.7336 1.9483 0.3640 -0.5262 -0.5583 1045 ARG D NH1 5959 N NH2 . ARG D 166 ? 1.4210 1.9871 2.2582 0.3698 -0.4909 -0.6414 1045 ARG D NH2 5960 N N . LEU D 167 ? 1.0754 1.1938 1.1766 0.2165 -0.4013 -0.2504 1046 LEU D N 5961 C CA . LEU D 167 ? 1.0483 1.1447 1.0720 0.1858 -0.3741 -0.2133 1046 LEU D CA 5962 C C . LEU D 167 ? 1.0389 1.1527 1.0612 0.1876 -0.3812 -0.2175 1046 LEU D C 5963 O O . LEU D 167 ? 1.0266 1.1178 0.9833 0.1664 -0.3643 -0.1924 1046 LEU D O 5964 C CB . LEU D 167 ? 1.1315 1.1317 1.0423 0.1728 -0.3865 -0.1804 1046 LEU D CB 5965 C CG . LEU D 167 ? 1.1761 1.1608 1.0792 0.1607 -0.3681 -0.1718 1046 LEU D CG 5966 C CD1 . LEU D 167 ? 1.2845 1.1661 1.0664 0.1424 -0.3810 -0.1426 1046 LEU D CD1 5967 C CD2 . LEU D 167 ? 1.0780 1.1386 1.0250 0.1318 -0.3088 -0.1655 1046 LEU D CD2 5968 N N . THR D 168 ? 0.9607 1.1229 1.0630 0.2105 -0.4022 -0.2544 1047 THR D N 5969 C CA . THR D 168 ? 0.9483 1.1356 1.0645 0.2134 -0.4114 -0.2668 1047 THR D CA 5970 C C . THR D 168 ? 0.9087 1.1889 1.1350 0.2132 -0.3911 -0.3076 1047 THR D C 5971 O O . THR D 168 ? 0.8709 1.1902 1.1692 0.2216 -0.3882 -0.3366 1047 THR D O 5972 C CB . THR D 168 ? 1.1267 1.2472 1.1928 0.2404 -0.4767 -0.2700 1047 THR D CB 5973 O OG1 . THR D 168 ? 1.1690 1.3120 1.2382 0.2369 -0.4803 -0.2781 1047 THR D OG1 5974 C CG2 . THR D 168 ? 1.1012 1.2217 1.2267 0.2811 -0.5299 -0.3066 1047 THR D CG2 5975 N N . HIS D 169 ? 0.8322 1.1433 1.0655 0.1993 -0.3739 -0.3117 1048 HIS D N 5976 C CA . HIS D 169 ? 0.7826 1.1703 1.1021 0.1899 -0.3518 -0.3503 1048 HIS D CA 5977 C C . HIS D 169 ? 0.8778 1.2702 1.1806 0.1833 -0.3560 -0.3533 1048 HIS D C 5978 O O . HIS D 169 ? 0.9154 1.2728 1.1473 0.1692 -0.3386 -0.3196 1048 HIS D O 5979 C CB . HIS D 169 ? 0.7325 1.1533 1.0712 0.1595 -0.2931 -0.3451 1048 HIS D CB 5980 C CG . HIS D 169 ? 0.7437 1.2298 1.1562 0.1407 -0.2661 -0.3866 1048 HIS D CG 5981 N ND1 . HIS D 169 ? 0.7579 1.2960 1.2579 0.1473 -0.2718 -0.4354 1048 HIS D ND1 5982 C CD2 . HIS D 169 ? 0.7389 1.2407 1.1440 0.1128 -0.2321 -0.3887 1048 HIS D CD2 5983 C CE1 . HIS D 169 ? 0.7190 1.3052 1.2598 0.1174 -0.2372 -0.4661 1048 HIS D CE1 5984 N NE2 . HIS D 169 ? 0.7177 1.2773 1.1979 0.0959 -0.2142 -0.4376 1048 HIS D NE2 5985 N N . GLN D 170 ? 0.8148 1.2549 1.1871 0.1928 -0.3779 -0.3980 1049 GLN D N 5986 C CA . GLN D 170 ? 0.8176 1.2692 1.1850 0.1856 -0.3847 -0.4096 1049 GLN D CA 5987 C C . GLN D 170 ? 0.8392 1.3441 1.2470 0.1502 -0.3315 -0.4294 1049 GLN D C 5988 O O . GLN D 170 ? 0.8234 1.3823 1.3039 0.1388 -0.3099 -0.4640 1049 GLN D O 5989 C CB . GLN D 170 ? 0.8679 1.3445 1.2935 0.2159 -0.4437 -0.4531 1049 GLN D CB 5990 C CG . GLN D 170 ? 1.0780 1.5320 1.4643 0.2199 -0.4758 -0.4528 1049 GLN D CG 5991 C CD . GLN D 170 ? 1.3106 1.8094 1.7774 0.2488 -0.5326 -0.5068 1049 GLN D CD 5992 O OE1 . GLN D 170 ? 1.1793 1.7606 1.7360 0.2354 -0.5180 -0.5558 1049 GLN D OE1 5993 N NE2 . GLN D 170 ? 1.3324 1.7762 1.7685 0.2884 -0.5994 -0.5021 1049 GLN D NE2 5994 N N . ILE D 171 ? 0.7989 1.2814 1.1523 0.1308 -0.3097 -0.4094 1050 ILE D N 5995 C CA . ILE D 171 ? 0.7622 1.2717 1.1296 0.0958 -0.2637 -0.4247 1050 ILE D CA 5996 C C . ILE D 171 ? 0.8563 1.3754 1.2246 0.0902 -0.2796 -0.4467 1050 ILE D C 5997 O O . ILE D 171 ? 0.8761 1.3508 1.1812 0.1001 -0.2980 -0.4214 1050 ILE D O 5998 C CB . ILE D 171 ? 0.7604 1.2290 1.0612 0.0772 -0.2205 -0.3840 1050 ILE D CB 5999 C CG1 . ILE D 171 ? 0.7221 1.1837 1.0226 0.0818 -0.2084 -0.3638 1050 ILE D CG1 6000 C CG2 . ILE D 171 ? 0.7504 1.2284 1.0529 0.0415 -0.1800 -0.4016 1050 ILE D CG2 6001 C CD1 . ILE D 171 ? 0.6709 1.0910 0.9048 0.0766 -0.1838 -0.3210 1050 ILE D CD1 6002 N N . GLN D 172 ? 0.8223 1.4003 1.2609 0.0704 -0.2698 -0.4967 1051 GLN D N 6003 C CA . GLN D 172 ? 0.8549 1.4536 1.3070 0.0600 -0.2834 -0.5265 1051 GLN D CA 6004 C C . GLN D 172 ? 0.9284 1.5149 1.3464 0.0150 -0.2325 -0.5294 1051 GLN D C 6005 O O . GLN D 172 ? 0.8976 1.4628 1.2885 -0.0077 -0.1892 -0.5137 1051 GLN D O 6006 C CB . GLN D 172 ? 0.8728 1.5546 1.4365 0.0674 -0.3114 -0.5912 1051 GLN D CB 6007 C CG . GLN D 172 ? 1.0711 1.7589 1.6715 0.1166 -0.3699 -0.5960 1051 GLN D CG 6008 C CD . GLN D 172 ? 1.3082 2.0892 2.0354 0.1234 -0.3854 -0.6665 1051 GLN D CD 6009 O OE1 . GLN D 172 ? 1.2304 2.0517 2.0144 0.1459 -0.4362 -0.7076 1051 GLN D OE1 6010 N NE2 . GLN D 172 ? 1.2676 2.0869 2.0440 0.1042 -0.3429 -0.6859 1051 GLN D NE2 6011 N N . GLU D 173 ? 0.9417 1.5343 1.3546 0.0024 -0.2423 -0.5506 1052 GLU D N 6012 C CA . GLU D 173 ? 0.9791 1.5543 1.3565 -0.0412 -0.2023 -0.5612 1052 GLU D CA 6013 C C . GLU D 173 ? 1.0804 1.5708 1.3536 -0.0469 -0.1738 -0.5101 1052 GLU D C 6014 O O . GLU D 173 ? 1.1082 1.5692 1.3451 -0.0827 -0.1333 -0.5130 1052 GLU D O 6015 C CB . GLU D 173 ? 0.9922 1.6208 1.4302 -0.0866 -0.1619 -0.6114 1052 GLU D CB 6016 C CG . GLU D 173 ? 1.1653 1.8940 1.7212 -0.0875 -0.1841 -0.6788 1052 GLU D CG 6017 C CD . GLU D 173 ? 1.6112 2.3773 2.2001 -0.0871 -0.2180 -0.7156 1052 GLU D CD 6018 O OE1 . GLU D 173 ? 1.5424 2.2866 2.0887 -0.1264 -0.1920 -0.7241 1052 GLU D OE1 6019 O OE2 . GLU D 173 ? 1.6312 2.4471 2.2890 -0.0479 -0.2732 -0.7394 1052 GLU D OE2 6020 N N . LEU D 174 ? 1.0422 1.4900 1.2639 -0.0129 -0.1962 -0.4674 1053 LEU D N 6021 C CA . LEU D 174 ? 1.0543 1.4339 1.1914 -0.0117 -0.1731 -0.4262 1053 LEU D CA 6022 C C . LEU D 174 ? 1.1683 1.5111 1.2520 -0.0206 -0.1738 -0.4280 1053 LEU D C 6023 O O . LEU D 174 ? 1.1843 1.5448 1.2811 -0.0145 -0.2049 -0.4447 1053 LEU D O 6024 C CB . LEU D 174 ? 1.0361 1.3949 1.1472 0.0216 -0.1874 -0.3864 1053 LEU D CB 6025 C CG . LEU D 174 ? 1.0588 1.4410 1.2083 0.0286 -0.1818 -0.3793 1053 LEU D CG 6026 C CD1 . LEU D 174 ? 1.0593 1.4383 1.2052 0.0584 -0.2124 -0.3585 1053 LEU D CD1 6027 C CD2 . LEU D 174 ? 1.0569 1.4069 1.1697 0.0205 -0.1478 -0.3552 1053 LEU D CD2 6028 N N . THR D 175 ? 1.1325 1.4196 1.1538 -0.0344 -0.1427 -0.4131 1054 THR D N 6029 C CA . THR D 175 ? 1.1488 1.3895 1.1108 -0.0428 -0.1383 -0.4140 1054 THR D CA 6030 C C . THR D 175 ? 1.1540 1.3774 1.0822 -0.0121 -0.1610 -0.3906 1054 THR D C 6031 O O . THR D 175 ? 1.1074 1.3246 1.0252 0.0116 -0.1625 -0.3629 1054 THR D O 6032 C CB . THR D 175 ? 1.2444 1.4176 1.1425 -0.0567 -0.1048 -0.4016 1054 THR D CB 6033 O OG1 . THR D 175 ? 1.3173 1.4940 1.2312 -0.0879 -0.0818 -0.4172 1054 THR D OG1 6034 C CG2 . THR D 175 ? 1.2180 1.3388 1.0565 -0.0711 -0.0978 -0.4107 1054 THR D CG2 6035 N N . LEU D 176 ? 1.1444 1.3596 1.0523 -0.0177 -0.1773 -0.4047 1055 LEU D N 6036 C CA . LEU D 176 ? 1.1540 1.3448 1.0171 0.0024 -0.1975 -0.3878 1055 LEU D CA 6037 C C . LEU D 176 ? 1.2064 1.3432 1.0039 0.0106 -0.1711 -0.3666 1055 LEU D C 6038 O O . LEU D 176 ? 1.2186 1.3259 0.9969 0.0006 -0.1448 -0.3696 1055 LEU D O 6039 C CB . LEU D 176 ? 1.1807 1.3788 1.0416 -0.0081 -0.2271 -0.4128 1055 LEU D CB 6040 C CG . LEU D 176 ? 1.2048 1.4622 1.1378 -0.0045 -0.2657 -0.4373 1055 LEU D CG 6041 C CD1 . LEU D 176 ? 1.2441 1.5089 1.1750 -0.0131 -0.2999 -0.4651 1055 LEU D CD1 6042 C CD2 . LEU D 176 ? 1.2054 1.4662 1.1444 0.0251 -0.2922 -0.4139 1055 LEU D CD2 6043 N N . ASP D 177 ? 1.1495 1.2707 0.9109 0.0283 -0.1780 -0.3478 1056 ASP D N 6044 C CA . ASP D 177 ? 1.1659 1.2497 0.8764 0.0393 -0.1532 -0.3350 1056 ASP D CA 6045 C C . ASP D 177 ? 1.2001 1.2796 0.9245 0.0498 -0.1270 -0.3256 1056 ASP D C 6046 O O . ASP D 177 ? 1.2433 1.2862 0.9355 0.0567 -0.1080 -0.3279 1056 ASP D O 6047 C CB . ASP D 177 ? 1.2418 1.2850 0.9010 0.0284 -0.1481 -0.3502 1056 ASP D CB 6048 C CG . ASP D 177 ? 1.3510 1.3632 0.9584 0.0402 -0.1297 -0.3444 1056 ASP D CG 6049 O OD1 . ASP D 177 ? 1.2946 1.3225 0.9064 0.0539 -0.1216 -0.3300 1056 ASP D OD1 6050 O OD2 . ASP D 177 ? 1.5019 1.4762 1.0650 0.0332 -0.1215 -0.3579 1056 ASP D OD2 6051 N N . THR D 178 ? 1.0969 1.2092 0.8668 0.0527 -0.1302 -0.3169 1057 THR D N 6052 C CA . THR D 178 ? 1.0719 1.1785 0.8531 0.0606 -0.1122 -0.3076 1057 THR D CA 6053 C C . THR D 178 ? 1.0987 1.2354 0.9019 0.0778 -0.1123 -0.2888 1057 THR D C 6054 O O . THR D 178 ? 1.0428 1.2109 0.8747 0.0750 -0.1278 -0.2841 1057 THR D O 6055 C CB . THR D 178 ? 1.0812 1.1935 0.8905 0.0386 -0.1098 -0.3189 1057 THR D CB 6056 O OG1 . THR D 178 ? 1.1725 1.2608 0.9604 0.0154 -0.1081 -0.3407 1057 THR D OG1 6057 C CG2 . THR D 178 ? 1.0191 1.1043 0.8183 0.0419 -0.0935 -0.3093 1057 THR D CG2 6058 N N . PRO D 179 ? 1.0918 1.2191 0.8840 0.0962 -0.0969 -0.2810 1058 PRO D N 6059 C CA . PRO D 179 ? 1.0512 1.2122 0.8690 0.1079 -0.0943 -0.2665 1058 PRO D CA 6060 C C . PRO D 179 ? 1.0486 1.2213 0.9001 0.1035 -0.0967 -0.2593 1058 PRO D C 6061 O O . PRO D 179 ? 1.0613 1.2046 0.9032 0.1017 -0.0912 -0.2626 1058 PRO D O 6062 C CB . PRO D 179 ? 1.0926 1.2462 0.8979 0.1295 -0.0788 -0.2701 1058 PRO D CB 6063 C CG . PRO D 179 ? 1.1998 1.3086 0.9669 0.1315 -0.0748 -0.2854 1058 PRO D CG 6064 C CD . PRO D 179 ? 1.1564 1.2426 0.9167 0.1092 -0.0843 -0.2885 1058 PRO D CD 6065 N N . TYR D 180 ? 0.9512 1.1574 0.8328 0.0989 -0.1057 -0.2508 1059 TYR D N 6066 C CA . TYR D 180 ? 0.8989 1.1215 0.8141 0.0935 -0.1060 -0.2456 1059 TYR D CA 6067 C C . TYR D 180 ? 0.9152 1.1607 0.8437 0.1051 -0.1018 -0.2298 1059 TYR D C 6068 O O . TYR D 180 ? 0.9326 1.1891 0.8494 0.1116 -0.0998 -0.2251 1059 TYR D O 6069 C CB . TYR D 180 ? 0.8843 1.1287 0.8311 0.0798 -0.1212 -0.2550 1059 TYR D CB 6070 C CG . TYR D 180 ? 0.9165 1.1509 0.8674 0.0609 -0.1197 -0.2771 1059 TYR D CG 6071 C CD1 . TYR D 180 ? 0.9423 1.1693 0.9029 0.0430 -0.1051 -0.2856 1059 TYR D CD1 6072 C CD2 . TYR D 180 ? 0.9403 1.1713 0.8815 0.0555 -0.1323 -0.2922 1059 TYR D CD2 6073 C CE1 . TYR D 180 ? 0.9665 1.1851 0.9275 0.0164 -0.0983 -0.3107 1059 TYR D CE1 6074 C CE2 . TYR D 180 ? 0.9526 1.1819 0.9025 0.0331 -0.1294 -0.3173 1059 TYR D CE2 6075 C CZ . TYR D 180 ? 0.9742 1.1979 0.9338 0.0117 -0.1100 -0.3275 1059 TYR D CZ 6076 O OH . TYR D 180 ? 0.9109 1.1327 0.8743 -0.0186 -0.1019 -0.3567 1059 TYR D OH 6077 N N . TYR D 181 ? 0.8232 1.0736 0.7709 0.1031 -0.0983 -0.2241 1060 TYR D N 6078 C CA . TYR D 181 ? 0.7949 1.0682 0.7580 0.1112 -0.0950 -0.2111 1060 TYR D CA 6079 C C . TYR D 181 ? 0.7871 1.0765 0.7787 0.0987 -0.0994 -0.2073 1060 TYR D C 6080 O O . TYR D 181 ? 0.7869 1.0647 0.7859 0.0853 -0.0974 -0.2161 1060 TYR D O 6081 C CB . TYR D 181 ? 0.8339 1.0893 0.7861 0.1251 -0.0901 -0.2098 1060 TYR D CB 6082 C CG . TYR D 181 ? 0.8932 1.1358 0.8247 0.1436 -0.0871 -0.2191 1060 TYR D CG 6083 C CD1 . TYR D 181 ? 0.9266 1.2042 0.8705 0.1574 -0.0806 -0.2224 1060 TYR D CD1 6084 C CD2 . TYR D 181 ? 0.9379 1.1346 0.8373 0.1438 -0.0880 -0.2288 1060 TYR D CD2 6085 C CE1 . TYR D 181 ? 0.9941 1.2665 0.9260 0.1744 -0.0748 -0.2378 1060 TYR D CE1 6086 C CE2 . TYR D 181 ? 0.9856 1.1682 0.8661 0.1623 -0.0851 -0.2402 1060 TYR D CE2 6087 C CZ . TYR D 181 ? 1.1511 1.3742 1.0513 0.1793 -0.0784 -0.2460 1060 TYR D CZ 6088 O OH . TYR D 181 ? 1.2541 1.4693 1.1424 0.1983 -0.0727 -0.2639 1060 TYR D OH 6089 N N . PHE D 182 ? 0.6773 0.9902 0.6814 0.0997 -0.1031 -0.1974 1061 PHE D N 6090 C CA . PHE D 182 ? 0.6325 0.9585 0.6635 0.0912 -0.1088 -0.1955 1061 PHE D CA 6091 C C . PHE D 182 ? 0.6633 1.0040 0.7002 0.0920 -0.1029 -0.1819 1061 PHE D C 6092 O O . PHE D 182 ? 0.6923 1.0432 0.7163 0.0963 -0.0987 -0.1746 1061 PHE D O 6093 C CB . PHE D 182 ? 0.6580 0.9853 0.6920 0.0911 -0.1278 -0.1990 1061 PHE D CB 6094 C CG . PHE D 182 ? 0.6739 0.9929 0.7070 0.0905 -0.1394 -0.2155 1061 PHE D CG 6095 C CD1 . PHE D 182 ? 0.7094 1.0114 0.7065 0.0940 -0.1408 -0.2150 1061 PHE D CD1 6096 C CD2 . PHE D 182 ? 0.6971 1.0295 0.7681 0.0839 -0.1473 -0.2361 1061 PHE D CD2 6097 C CE1 . PHE D 182 ? 0.7607 1.0542 0.7548 0.0915 -0.1525 -0.2311 1061 PHE D CE1 6098 C CE2 . PHE D 182 ? 0.7582 1.0905 0.8341 0.0809 -0.1585 -0.2561 1061 PHE D CE2 6099 C CZ . PHE D 182 ? 0.7511 1.0614 0.7861 0.0850 -0.1625 -0.2516 1061 PHE D CZ 6100 N N . LYS D 183 ? 0.6130 0.9572 0.6696 0.0838 -0.1008 -0.1819 1062 LYS D N 6101 C CA . LYS D 183 ? 0.5991 0.9566 0.6624 0.0813 -0.0969 -0.1703 1062 LYS D CA 6102 C C . LYS D 183 ? 0.6292 0.9897 0.7161 0.0706 -0.0992 -0.1748 1062 LYS D C 6103 O O . LYS D 183 ? 0.6453 1.0022 0.7486 0.0633 -0.0983 -0.1909 1062 LYS D O 6104 C CB . LYS D 183 ? 0.6333 0.9908 0.6879 0.0868 -0.0902 -0.1646 1062 LYS D CB 6105 C CG . LYS D 183 ? 0.7325 1.0586 0.7726 0.0834 -0.0885 -0.1699 1062 LYS D CG 6106 C CD . LYS D 183 ? 0.7920 1.1098 0.8161 0.0991 -0.0931 -0.1654 1062 LYS D CD 6107 C CE . LYS D 183 ? 0.9848 1.2504 0.9740 0.0936 -0.0964 -0.1665 1062 LYS D CE 6108 N NZ . LYS D 183 ? 1.0187 1.2703 0.9914 0.1166 -0.1114 -0.1633 1062 LYS D NZ 6109 N N . ILE D 184 ? 0.5815 0.9498 0.6712 0.0682 -0.1011 -0.1652 1063 ILE D N 6110 C CA . ILE D 184 ? 0.5812 0.9506 0.6937 0.0611 -0.1041 -0.1714 1063 ILE D CA 6111 C C . ILE D 184 ? 0.6295 1.0033 0.7391 0.0517 -0.0945 -0.1605 1063 ILE D C 6112 O O . ILE D 184 ? 0.6568 1.0384 0.7496 0.0524 -0.0910 -0.1474 1063 ILE D O 6113 C CB . ILE D 184 ? 0.6593 1.0184 0.7691 0.0692 -0.1241 -0.1721 1063 ILE D CB 6114 C CG1 . ILE D 184 ? 0.7182 1.0661 0.8067 0.0784 -0.1366 -0.1731 1063 ILE D CG1 6115 C CG2 . ILE D 184 ? 0.6608 1.0226 0.8085 0.0717 -0.1351 -0.1919 1063 ILE D CG2 6116 C CD1 . ILE D 184 ? 1.0335 1.3552 1.1022 0.0858 -0.1617 -0.1719 1063 ILE D CD1 6117 N N . GLN D 185 ? 0.5428 0.9157 0.6714 0.0412 -0.0892 -0.1700 1064 GLN D N 6118 C CA . GLN D 185 ? 0.4998 0.8727 0.6246 0.0296 -0.0818 -0.1619 1064 GLN D CA 6119 C C . GLN D 185 ? 0.5757 0.9462 0.7233 0.0272 -0.0856 -0.1739 1064 GLN D C 6120 O O . GLN D 185 ? 0.5595 0.9349 0.7368 0.0317 -0.0899 -0.1960 1064 GLN D O 6121 C CB . GLN D 185 ? 0.5025 0.8659 0.6138 0.0163 -0.0696 -0.1614 1064 GLN D CB 6122 C CG . GLN D 185 ? 0.5993 0.9501 0.7174 0.0013 -0.0579 -0.1821 1064 GLN D CG 6123 C CD . GLN D 185 ? 0.7989 1.1189 0.8794 -0.0168 -0.0480 -0.1787 1064 GLN D CD 6124 O OE1 . GLN D 185 ? 0.7495 1.0473 0.8168 -0.0365 -0.0347 -0.1949 1064 GLN D OE1 6125 N NE2 . GLN D 185 ? 0.6776 0.9917 0.7356 -0.0145 -0.0547 -0.1606 1064 GLN D NE2 6126 N N . ALA D 186 ? 0.5826 0.9472 0.7187 0.0215 -0.0856 -0.1627 1065 ALA D N 6127 C CA . ALA D 186 ? 0.5794 0.9329 0.7306 0.0217 -0.0914 -0.1732 1065 ALA D CA 6128 C C . ALA D 186 ? 0.6244 0.9828 0.7905 0.0044 -0.0732 -0.1857 1065 ALA D C 6129 O O . ALA D 186 ? 0.6236 0.9828 0.7704 -0.0104 -0.0600 -0.1765 1065 ALA D O 6130 C CB . ALA D 186 ? 0.6035 0.9371 0.7207 0.0185 -0.0984 -0.1539 1065 ALA D CB 6131 N N . ARG D 187 ? 0.5923 0.9496 0.7892 0.0065 -0.0746 -0.2086 1066 ARG D N 6132 C CA . ARG D 187 ? 0.6025 0.9627 0.8130 -0.0141 -0.0532 -0.2262 1066 ARG D CA 6133 C C . ARG D 187 ? 0.6825 1.0271 0.8974 -0.0100 -0.0599 -0.2303 1066 ARG D C 6134 O O . ARG D 187 ? 0.7125 1.0459 0.9409 0.0136 -0.0836 -0.2372 1066 ARG D O 6135 C CB . ARG D 187 ? 0.6209 1.0044 0.8782 -0.0187 -0.0413 -0.2653 1066 ARG D CB 6136 C CG . ARG D 187 ? 0.7067 1.0907 0.9653 -0.0517 -0.0095 -0.2863 1066 ARG D CG 6137 C CD . ARG D 187 ? 0.5896 1.0065 0.9115 -0.0569 0.0043 -0.3381 1066 ARG D CD 6138 N NE . ARG D 187 ? 0.7048 1.1470 1.0577 -0.0458 -0.0043 -0.3547 1066 ARG D NE 6139 C CZ . ARG D 187 ? 0.9179 1.3655 1.2631 -0.0734 0.0193 -0.3702 1066 ARG D CZ 6140 N NH1 . ARG D 187 ? 0.7433 1.1637 1.0417 -0.1133 0.0505 -0.3685 1066 ARG D NH1 6141 N NH2 . ARG D 187 ? 0.7051 1.1775 1.0809 -0.0638 0.0105 -0.3876 1066 ARG D NH2 6142 N N . ASN D 188 ? 0.6494 0.9852 0.8474 -0.0326 -0.0420 -0.2274 1067 ASN D N 6143 C CA . ASN D 188 ? 0.6544 0.9721 0.8572 -0.0327 -0.0433 -0.2373 1067 ASN D CA 6144 C C . ASN D 188 ? 0.6836 1.0087 0.9024 -0.0584 -0.0142 -0.2642 1067 ASN D C 6145 O O . ASN D 188 ? 0.6573 0.9948 0.8746 -0.0781 0.0055 -0.2729 1067 ASN D O 6146 C CB . ASN D 188 ? 0.5390 0.8276 0.6935 -0.0360 -0.0539 -0.2056 1067 ASN D CB 6147 C CG . ASN D 188 ? 0.7521 1.0418 0.8699 -0.0635 -0.0387 -0.1843 1067 ASN D CG 6148 O OD1 . ASN D 188 ? 0.7968 1.0929 0.9126 -0.0833 -0.0206 -0.1914 1067 ASN D OD1 6149 N ND2 . ASN D 188 ? 0.6210 0.9006 0.7042 -0.0677 -0.0471 -0.1600 1067 ASN D ND2 6150 N N . SER D 189 ? 0.6493 0.9592 0.8749 -0.0610 -0.0104 -0.2785 1068 SER D N 6151 C CA . SER D 189 ? 0.6550 0.9685 0.8914 -0.0890 0.0207 -0.3076 1068 SER D CA 6152 C C . SER D 189 ? 0.7255 1.0259 0.9067 -0.1273 0.0426 -0.2875 1068 SER D C 6153 O O . SER D 189 ? 0.7600 1.0569 0.9363 -0.1583 0.0719 -0.3118 1068 SER D O 6154 C CB . SER D 189 ? 0.7170 1.0064 0.9553 -0.0846 0.0178 -0.3180 1068 SER D CB 6155 O OG . SER D 189 ? 0.8080 1.0663 0.9848 -0.1024 0.0168 -0.2812 1068 SER D OG 6156 N N . LYS D 190 ? 0.6692 0.9594 0.8063 -0.1256 0.0270 -0.2466 1069 LYS D N 6157 C CA . LYS D 190 ? 0.6801 0.9526 0.7629 -0.1527 0.0349 -0.2264 1069 LYS D CA 6158 C C . LYS D 190 ? 0.7115 0.9846 0.7773 -0.1527 0.0321 -0.2179 1069 LYS D C 6159 O O . LYS D 190 ? 0.7550 1.0000 0.7703 -0.1755 0.0372 -0.2089 1069 LYS D O 6160 C CB . LYS D 190 ? 0.7329 0.9969 0.7820 -0.1534 0.0192 -0.1950 1069 LYS D CB 6161 C CG . LYS D 190 ? 0.9046 1.1543 0.9547 -0.1598 0.0233 -0.2017 1069 LYS D CG 6162 C CD . LYS D 190 ? 0.9935 1.2191 1.0124 -0.1948 0.0444 -0.2124 1069 LYS D CD 6163 C CE . LYS D 190 ? 1.1820 1.3914 1.2082 -0.1983 0.0508 -0.2262 1069 LYS D CE 6164 N NZ . LYS D 190 ? 1.3726 1.5573 1.3500 -0.2316 0.0602 -0.2182 1069 LYS D NZ 6165 N N . GLY D 191 ? 0.6271 0.9227 0.7270 -0.1279 0.0218 -0.2216 1070 GLY D N 6166 C CA . GLY D 191 ? 0.6403 0.9313 0.7219 -0.1276 0.0196 -0.2154 1070 GLY D CA 6167 C C . GLY D 191 ? 0.7216 1.0331 0.8199 -0.0954 -0.0028 -0.1993 1070 GLY D C 6168 O O . GLY D 191 ? 0.7059 1.0343 0.8331 -0.0743 -0.0155 -0.1980 1070 GLY D O 6169 N N . MET D 192 ? 0.7231 1.0240 0.7951 -0.0932 -0.0081 -0.1886 1071 MET D N 6170 C CA . MET D 192 ? 0.7236 1.0409 0.8059 -0.0663 -0.0251 -0.1770 1071 MET D CA 6171 C C . MET D 192 ? 0.7881 1.1154 0.8559 -0.0531 -0.0416 -0.1518 1071 MET D C 6172 O O . MET D 192 ? 0.8427 1.1572 0.8806 -0.0626 -0.0454 -0.1409 1071 MET D O 6173 C CB . MET D 192 ? 0.7882 1.0842 0.8456 -0.0704 -0.0225 -0.1804 1071 MET D CB 6174 C CG . MET D 192 ? 0.8641 1.1532 0.9330 -0.0924 -0.0005 -0.2113 1071 MET D CG 6175 S SD . MET D 192 ? 0.8975 1.2348 1.0446 -0.0782 0.0008 -0.2406 1071 MET D SD 6176 C CE . MET D 192 ? 0.8275 1.1812 0.9894 -0.0468 -0.0216 -0.2306 1071 MET D CE 6177 N N . GLY D 193 ? 0.6961 1.0459 0.7828 -0.0333 -0.0519 -0.1456 1072 GLY D N 6178 C CA . GLY D 193 ? 0.6751 1.0441 0.7535 -0.0252 -0.0619 -0.1289 1072 GLY D CA 6179 C C . GLY D 193 ? 0.6950 1.0722 0.7692 -0.0082 -0.0699 -0.1259 1072 GLY D C 6180 O O . GLY D 193 ? 0.7211 1.0791 0.7891 -0.0052 -0.0686 -0.1331 1072 GLY D O 6181 N N . PRO D 194 ? 0.6051 1.0113 0.6832 0.0015 -0.0764 -0.1194 1073 PRO D N 6182 C CA . PRO D 194 ? 0.6047 1.0203 0.6841 0.0214 -0.0837 -0.1218 1073 PRO D CA 6183 C C . PRO D 194 ? 0.6779 1.0887 0.7624 0.0303 -0.0805 -0.1264 1073 PRO D C 6184 O O . PRO D 194 ? 0.6619 1.0667 0.7507 0.0244 -0.0774 -0.1274 1073 PRO D O 6185 C CB . PRO D 194 ? 0.6085 1.0686 0.7018 0.0256 -0.0868 -0.1221 1073 PRO D CB 6186 C CG . PRO D 194 ? 0.6489 1.1184 0.7421 0.0050 -0.0772 -0.1180 1073 PRO D CG 6187 C CD . PRO D 194 ? 0.6028 1.0361 0.6851 -0.0080 -0.0743 -0.1146 1073 PRO D CD 6188 N N . MET D 195 ? 0.6699 1.0784 0.7507 0.0464 -0.0852 -0.1304 1074 MET D N 6189 C CA . MET D 195 ? 0.6706 1.0735 0.7519 0.0550 -0.0841 -0.1358 1074 MET D CA 6190 C C . MET D 195 ? 0.7197 1.1501 0.8038 0.0618 -0.0820 -0.1363 1074 MET D C 6191 O O . MET D 195 ? 0.7434 1.2039 0.8361 0.0661 -0.0810 -0.1386 1074 MET D O 6192 C CB . MET D 195 ? 0.7289 1.1071 0.7961 0.0660 -0.0883 -0.1415 1074 MET D CB 6193 C CG . MET D 195 ? 0.8195 1.1607 0.8672 0.0534 -0.0874 -0.1428 1074 MET D CG 6194 S SD . MET D 195 ? 0.9112 1.2298 0.9580 0.0420 -0.0784 -0.1570 1074 MET D SD 6195 C CE . MET D 195 ? 0.9316 1.1903 0.9287 0.0237 -0.0749 -0.1595 1074 MET D CE 6196 N N . SER D 196 ? 0.6666 1.0869 0.7430 0.0625 -0.0819 -0.1383 1075 SER D N 6197 C CA . SER D 196 ? 0.6607 1.0945 0.7251 0.0629 -0.0768 -0.1404 1075 SER D CA 6198 C C . SER D 196 ? 0.7173 1.1645 0.7872 0.0803 -0.0750 -0.1505 1075 SER D C 6199 O O . SER D 196 ? 0.7124 1.1430 0.7851 0.0923 -0.0819 -0.1529 1075 SER D O 6200 C CB . SER D 196 ? 0.6925 1.0965 0.7360 0.0596 -0.0843 -0.1391 1075 SER D CB 6201 O OG . SER D 196 ? 0.8307 1.2212 0.8774 0.0716 -0.0907 -0.1466 1075 SER D OG 6202 N N . GLU D 197 ? 0.6982 1.1707 0.7648 0.0796 -0.0646 -0.1591 1076 GLU D N 6203 C CA . GLU D 197 ? 0.7046 1.1885 0.7783 0.0991 -0.0628 -0.1735 1076 GLU D CA 6204 C C . GLU D 197 ? 0.7692 1.2133 0.8182 0.1018 -0.0678 -0.1717 1076 GLU D C 6205 O O . GLU D 197 ? 0.7719 1.1953 0.7989 0.0878 -0.0698 -0.1648 1076 GLU D O 6206 C CB . GLU D 197 ? 0.7358 1.2640 0.8169 0.0930 -0.0449 -0.1901 1076 GLU D CB 6207 C CG . GLU D 197 ? 0.9839 1.5639 1.0992 0.0887 -0.0400 -0.1988 1076 GLU D CG 6208 C CD . GLU D 197 ? 1.3738 1.9851 1.5301 0.1195 -0.0534 -0.2150 1076 GLU D CD 6209 O OE1 . GLU D 197 ? 1.3568 1.9460 1.5106 0.1457 -0.0641 -0.2214 1076 GLU D OE1 6210 O OE2 . GLU D 197 ? 1.3600 2.0121 1.5469 0.1180 -0.0569 -0.2217 1076 GLU D OE2 6211 N N . ALA D 198 ? 0.7148 1.1411 0.7637 0.1199 -0.0740 -0.1783 1077 ALA D N 6212 C CA . ALA D 198 ? 0.7076 1.0995 0.7352 0.1200 -0.0780 -0.1802 1077 ALA D CA 6213 C C . ALA D 198 ? 0.7516 1.1468 0.7581 0.1135 -0.0704 -0.1856 1077 ALA D C 6214 O O . ALA D 198 ? 0.7548 1.1765 0.7628 0.1164 -0.0570 -0.1970 1077 ALA D O 6215 C CB . ALA D 198 ? 0.7321 1.0981 0.7522 0.1372 -0.0832 -0.1881 1077 ALA D CB 6216 N N . VAL D 199 ? 0.6931 1.0623 0.6797 0.1030 -0.0797 -0.1806 1078 VAL D N 6217 C CA . VAL D 199 ? 0.7149 1.0678 0.6646 0.0943 -0.0792 -0.1834 1078 VAL D CA 6218 C C . VAL D 199 ? 0.7784 1.1097 0.7190 0.1032 -0.0850 -0.1929 1078 VAL D C 6219 O O . VAL D 199 ? 0.7515 1.0702 0.7071 0.1058 -0.0966 -0.1938 1078 VAL D O 6220 C CB . VAL D 199 ? 0.7762 1.1047 0.7037 0.0808 -0.0956 -0.1723 1078 VAL D CB 6221 C CG1 . VAL D 199 ? 0.8058 1.0968 0.6833 0.0740 -0.1074 -0.1743 1078 VAL D CG1 6222 C CG2 . VAL D 199 ? 0.7858 1.1258 0.7051 0.0661 -0.0854 -0.1639 1078 VAL D CG2 6223 N N . GLN D 200 ? 0.7596 1.0880 0.6758 0.1045 -0.0736 -0.2036 1079 GLN D N 6224 C CA . GLN D 200 ? 0.7745 1.0776 0.6744 0.1106 -0.0779 -0.2135 1079 GLN D CA 6225 C C . GLN D 200 ? 0.8489 1.1219 0.7092 0.0972 -0.0928 -0.2122 1079 GLN D C 6226 O O . GLN D 200 ? 0.8896 1.1519 0.7123 0.0832 -0.0912 -0.2080 1079 GLN D O 6227 C CB . GLN D 200 ? 0.8070 1.1189 0.7033 0.1232 -0.0597 -0.2298 1079 GLN D CB 6228 C CG . GLN D 200 ? 1.1049 1.3830 0.9833 0.1312 -0.0643 -0.2400 1079 GLN D CG 6229 C CD . GLN D 200 ? 1.4385 1.7176 1.3102 0.1473 -0.0488 -0.2597 1079 GLN D CD 6230 O OE1 . GLN D 200 ? 1.3921 1.6374 1.2425 0.1535 -0.0512 -0.2689 1079 GLN D OE1 6231 N NE2 . GLN D 200 ? 1.3390 1.6587 1.2318 0.1546 -0.0323 -0.2711 1079 GLN D NE2 6232 N N . PHE D 201 ? 0.7763 1.0312 0.6398 0.0991 -0.1087 -0.2178 1080 PHE D N 6233 C CA . PHE D 201 ? 0.8057 1.0335 0.6373 0.0911 -0.1300 -0.2211 1080 PHE D CA 6234 C C . PHE D 201 ? 0.9243 1.1384 0.7528 0.0924 -0.1321 -0.2361 1080 PHE D C 6235 O O . PHE D 201 ? 0.9419 1.1635 0.8032 0.0941 -0.1314 -0.2427 1080 PHE D O 6236 C CB . PHE D 201 ? 0.8037 1.0305 0.6528 0.0900 -0.1592 -0.2162 1080 PHE D CB 6237 C CG . PHE D 201 ? 0.8621 1.0564 0.6743 0.0867 -0.1910 -0.2211 1080 PHE D CG 6238 C CD1 . PHE D 201 ? 0.9507 1.1053 0.6973 0.0778 -0.2021 -0.2102 1080 PHE D CD1 6239 C CD2 . PHE D 201 ? 0.8717 1.0709 0.7089 0.0894 -0.2111 -0.2386 1080 PHE D CD2 6240 C CE1 . PHE D 201 ? 1.0240 1.1359 0.7246 0.0761 -0.2385 -0.2135 1080 PHE D CE1 6241 C CE2 . PHE D 201 ? 0.9677 1.1387 0.7732 0.0893 -0.2470 -0.2456 1080 PHE D CE2 6242 C CZ . PHE D 201 ? 1.0120 1.1352 0.7462 0.0848 -0.2636 -0.2315 1080 PHE D CZ 6243 N N . ARG D 202 ? 0.9138 1.1023 0.6954 0.0867 -0.1329 -0.2425 1081 ARG D N 6244 C CA . ARG D 202 ? 0.9440 1.1148 0.7156 0.0849 -0.1353 -0.2575 1081 ARG D CA 6245 C C . ARG D 202 ? 1.0243 1.1822 0.7856 0.0767 -0.1695 -0.2638 1081 ARG D C 6246 O O . ARG D 202 ? 1.0379 1.1700 0.7514 0.0711 -0.1860 -0.2589 1081 ARG D O 6247 C CB . ARG D 202 ? 0.9724 1.1233 0.7007 0.0853 -0.1135 -0.2656 1081 ARG D CB 6248 C CG . ARG D 202 ? 1.0137 1.1405 0.7297 0.0839 -0.1130 -0.2812 1081 ARG D CG 6249 C CD . ARG D 202 ? 1.1088 1.2099 0.7744 0.0819 -0.0972 -0.2923 1081 ARG D CD 6250 N NE . ARG D 202 ? 1.1648 1.2390 0.8205 0.0844 -0.0914 -0.3071 1081 ARG D NE 6251 C CZ . ARG D 202 ? 1.2464 1.3103 0.9067 0.1014 -0.0723 -0.3148 1081 ARG D CZ 6252 N NH1 . ARG D 202 ? 0.9430 1.0327 0.6268 0.1193 -0.0574 -0.3126 1081 ARG D NH1 6253 N NH2 . ARG D 202 ? 1.1787 1.2032 0.8173 0.1011 -0.0705 -0.3271 1081 ARG D NH2 6254 N N . THR D 203 ? 0.9804 1.1540 0.7837 0.0742 -0.1811 -0.2778 1082 THR D N 6255 C CA . THR D 203 ? 1.0100 1.1868 0.8243 0.0696 -0.2166 -0.2931 1082 THR D CA 6256 C C . THR D 203 ? 1.1549 1.2956 0.9103 0.0620 -0.2258 -0.3003 1082 THR D C 6257 O O . THR D 203 ? 1.1874 1.3097 0.9148 0.0572 -0.1989 -0.3036 1082 THR D O 6258 C CB . THR D 203 ? 1.1641 1.3732 1.0382 0.0609 -0.2151 -0.3157 1082 THR D CB 6259 O OG1 . THR D 203 ? 1.2469 1.4379 1.1034 0.0509 -0.1840 -0.3205 1082 THR D OG1 6260 C CG2 . THR D 203 ? 1.1218 1.3669 1.0542 0.0649 -0.2132 -0.3143 1082 THR D CG2 6261 N N . PRO D 204 ? 1.1426 1.2662 0.8735 0.0623 -0.2667 -0.3041 1083 PRO D N 6262 C CA . PRO D 204 ? 1.1960 1.2801 0.8638 0.0521 -0.2780 -0.3116 1083 PRO D CA 6263 C C . PRO D 204 ? 1.2077 1.3029 0.8950 0.0408 -0.2693 -0.3357 1083 PRO D C 6264 O O . PRO D 204 ? 1.1509 1.2843 0.9017 0.0376 -0.2606 -0.3503 1083 PRO D O 6265 C CB . PRO D 204 ? 1.2734 1.3378 0.9214 0.0581 -0.3348 -0.3133 1083 PRO D CB 6266 C CG . PRO D 204 ? 1.2839 1.3928 1.0100 0.0732 -0.3543 -0.3184 1083 PRO D CG 6267 C CD . PRO D 204 ? 1.1689 1.3013 0.9242 0.0740 -0.3091 -0.3033 1083 PRO D CD 6268 N N . LYS D 205 ? 1.1960 1.2515 0.8199 0.0301 -0.2670 -0.3408 1084 LYS D N 6269 C CA . LYS D 205 ? 1.2060 1.2581 0.8297 0.0157 -0.2598 -0.3634 1084 LYS D CA 6270 C C . LYS D 205 ? 1.3555 1.4077 0.9747 0.0101 -0.3115 -0.3815 1084 LYS D C 6271 O O . LYS D 205 ? 1.4307 1.4449 0.9904 0.0135 -0.3404 -0.3705 1084 LYS D O 6272 C CB . LYS D 205 ? 1.2635 1.2693 0.8182 0.0105 -0.2258 -0.3589 1084 LYS D CB 6273 C CG . LYS D 205 ? 1.3575 1.3408 0.8888 -0.0061 -0.2193 -0.3809 1084 LYS D CG 6274 C CD . LYS D 205 ? 1.3499 1.2865 0.8165 -0.0069 -0.1852 -0.3801 1084 LYS D CD 6275 C CE . LYS D 205 ? 1.5493 1.4591 0.9966 -0.0225 -0.1757 -0.4017 1084 LYS D CE 6276 N NZ . LYS D 205 ? 1.7336 1.6630 1.2335 -0.0279 -0.1661 -0.4103 1084 LYS D NZ 6277 N N . ALA D 206 ? 1.2885 1.3815 0.9673 -0.0002 -0.3252 -0.4115 1085 ALA D N 6278 C CA . ALA D 206 ? 1.4259 1.5311 1.1149 -0.0024 -0.3794 -0.4361 1085 ALA D CA 6279 C C . ALA D 206 ? 1.9263 1.9772 1.5310 -0.0171 -0.3884 -0.4399 1085 ALA D C 6280 O O . ALA D 206 ? 1.7250 1.7572 1.2994 -0.0133 -0.4402 -0.4466 1085 ALA D O 6281 C CB . ALA D 206 ? 1.3942 1.5690 1.1775 -0.0145 -0.3847 -0.4749 1085 ALA D CB # 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 GLU 1 880 ? ? ? A . n A 1 2 THR 2 881 ? ? ? A . n A 1 3 GLY 3 882 ? ? ? A . n A 1 4 THR 4 883 ? ? ? A . n A 1 5 PRO 5 884 884 PRO PRO A . n A 1 6 MET 6 885 885 MET MET A . n A 1 7 MET 7 886 886 MET MET A . n A 1 8 PRO 8 887 887 PRO PRO A . n A 1 9 PRO 9 888 888 PRO PRO A . n A 1 10 VAL 10 889 889 VAL VAL A . n A 1 11 GLY 11 890 890 GLY GLY A . n A 1 12 VAL 12 891 891 VAL VAL A . n A 1 13 GLN 13 892 892 GLN GLN A . n A 1 14 ALA 14 893 893 ALA ALA A . n A 1 15 SER 15 894 894 SER SER A . n A 1 16 ILE 16 895 895 ILE ILE A . n A 1 17 LEU 17 896 896 LEU LEU A . n A 1 18 SER 18 897 897 SER SER A . n A 1 19 HIS 19 898 898 HIS HIS A . n A 1 20 ASP 20 899 899 ASP ASP A . n A 1 21 THR 21 900 900 THR THR A . n A 1 22 ILE 22 901 901 ILE ILE A . n A 1 23 ARG 23 902 902 ARG ARG A . n A 1 24 ILE 24 903 903 ILE ILE A . n A 1 25 THR 25 904 904 THR THR A . n A 1 26 TRP 26 905 905 TRP TRP A . n A 1 27 ALA 27 906 906 ALA ALA A . n A 1 28 ASP 28 907 907 ASP ASP A . n A 1 29 ASN 29 908 908 ASN ASN A . n A 1 30 SER 30 909 909 SER SER A . n A 1 31 LEU 31 910 910 LEU LEU A . n A 1 32 PRO 32 911 911 PRO PRO A . n A 1 33 LYS 33 912 ? ? ? A . n A 1 34 HIS 34 913 ? ? ? A . n A 1 35 GLN 35 914 ? ? ? A . n A 1 36 LYS 36 915 ? ? ? A . n A 1 37 ILE 37 916 ? ? ? A . n A 1 38 THR 38 917 917 THR THR A . n A 1 39 ASP 39 918 918 ASP ASP A . n A 1 40 SER 40 919 919 SER SER A . n A 1 41 ARG 41 920 920 ARG ARG A . n A 1 42 TYR 42 921 921 TYR TYR A . n A 1 43 TYR 43 922 922 TYR TYR A . n A 1 44 THR 44 923 923 THR THR A . n A 1 45 VAL 45 924 924 VAL VAL A . n A 1 46 ARG 46 925 925 ARG ARG A . n A 1 47 TRP 47 926 926 TRP TRP A . n A 1 48 LYS 48 927 927 LYS LYS A . n A 1 49 THR 49 928 928 THR THR A . n A 1 50 ASN 50 929 929 ASN ASN A . n A 1 51 ILE 51 930 930 ILE ILE A . n A 1 52 PRO 52 931 931 PRO PRO A . n A 1 53 ALA 53 932 932 ALA ALA A . n A 1 54 ASN 54 933 933 ASN ASN A . n A 1 55 THR 55 934 934 THR THR A . n A 1 56 LYS 56 935 935 LYS LYS A . n A 1 57 TYR 57 936 936 TYR TYR A . n A 1 58 LYS 58 937 937 LYS LYS A . n A 1 59 ASN 59 938 938 ASN ASN A . n A 1 60 ALA 60 939 939 ALA ALA A . n A 1 61 ASN 61 940 940 ASN ASN A . n A 1 62 ALA 62 941 941 ALA ALA A . n A 1 63 THR 63 942 942 THR THR A . n A 1 64 THR 64 943 943 THR THR A . n A 1 65 LEU 65 944 944 LEU LEU A . n A 1 66 SER 66 945 945 SER SER A . n A 1 67 TYR 67 946 946 TYR TYR A . n A 1 68 LEU 68 947 947 LEU LEU A . n A 1 69 VAL 69 948 948 VAL VAL A . n A 1 70 THR 70 949 949 THR THR A . n A 1 71 GLY 71 950 950 GLY GLY A . n A 1 72 LEU 72 951 951 LEU LEU A . n A 1 73 LYS 73 952 952 LYS LYS A . n A 1 74 PRO 74 953 953 PRO PRO A . n A 1 75 ASN 75 954 954 ASN ASN A . n A 1 76 THR 76 955 955 THR THR A . n A 1 77 LEU 77 956 956 LEU LEU A . n A 1 78 TYR 78 957 957 TYR TYR A . n A 1 79 GLU 79 958 958 GLU GLU A . n A 1 80 PHE 80 959 959 PHE PHE A . n A 1 81 SER 81 960 960 SER SER A . n A 1 82 VAL 82 961 961 VAL VAL A . n A 1 83 MET 83 962 962 MET MET A . n A 1 84 VAL 84 963 963 VAL VAL A . n A 1 85 THR 85 964 964 THR THR A . n A 1 86 LYS 86 965 965 LYS LYS A . n A 1 87 GLY 87 966 966 GLY GLY A . n A 1 88 ARG 88 967 967 ARG ARG A . n A 1 89 ARG 89 968 968 ARG ARG A . n A 1 90 SER 90 969 969 SER SER A . n A 1 91 SER 91 970 970 SER SER A . n A 1 92 THR 92 971 971 THR THR A . n A 1 93 TRP 93 972 972 TRP TRP A . n A 1 94 SER 94 973 973 SER SER A . n A 1 95 MET 95 974 974 MET MET A . n A 1 96 THR 96 975 975 THR THR A . n A 1 97 ALA 97 976 976 ALA ALA A . n A 1 98 HIS 98 977 977 HIS HIS A . n A 1 99 GLY 99 978 978 GLY GLY A . n A 1 100 ALA 100 979 979 ALA ALA A . n A 1 101 THR 101 980 980 THR THR A . n A 1 102 PHE 102 981 981 PHE PHE A . n A 1 103 GLU 103 982 982 GLU GLU A . n A 1 104 LEU 104 983 983 LEU LEU A . n A 1 105 VAL 105 984 984 VAL VAL A . n A 1 106 PRO 106 985 985 PRO PRO A . n A 1 107 THR 107 986 986 THR THR A . n A 1 108 SER 108 987 987 SER SER A . n A 1 109 PRO 109 988 988 PRO PRO A . n A 1 110 PRO 110 989 989 PRO PRO A . n A 1 111 LYS 111 990 990 LYS LYS A . n A 1 112 ASP 112 991 991 ASP ASP A . n A 1 113 VAL 113 992 992 VAL VAL A . n A 1 114 THR 114 993 993 THR THR A . n A 1 115 VAL 115 994 994 VAL VAL A . n A 1 116 VAL 116 995 995 VAL VAL A . n A 1 117 SER 117 996 996 SER SER A . n A 1 118 LYS 118 997 997 LYS LYS A . n A 1 119 GLU 119 998 998 GLU GLU A . n A 1 120 GLY 120 999 999 GLY GLY A . n A 1 121 LYS 121 1000 1000 LYS LYS A . n A 1 122 PRO 122 1001 1001 PRO PRO A . n A 1 123 ARG 123 1002 1002 ARG ARG A . n A 1 124 THR 124 1003 1003 THR THR A . n A 1 125 ILE 125 1004 1004 ILE ILE A . n A 1 126 ILE 126 1005 1005 ILE ILE A . n A 1 127 VAL 127 1006 1006 VAL VAL A . n A 1 128 ASN 128 1007 1007 ASN ASN A . n A 1 129 TRP 129 1008 1008 TRP TRP A . n A 1 130 GLN 130 1009 1009 GLN GLN A . n A 1 131 PRO 131 1010 1010 PRO PRO A . n A 1 132 PRO 132 1011 1011 PRO PRO A . n A 1 133 SER 133 1012 1012 SER SER A . n A 1 134 GLU 134 1013 1013 GLU GLU A . n A 1 135 ALA 135 1014 1014 ALA ALA A . n A 1 136 ASN 136 1015 1015 ASN ASN A . n A 1 137 GLY 137 1016 1016 GLY GLY A . n A 1 138 LYS 138 1017 1017 LYS LYS A . n A 1 139 ILE 139 1018 1018 ILE ILE A . n A 1 140 THR 140 1019 1019 THR THR A . n A 1 141 GLY 141 1020 1020 GLY GLY A . n A 1 142 TYR 142 1021 1021 TYR TYR A . n A 1 143 ILE 143 1022 1022 ILE ILE A . n A 1 144 ILE 144 1023 1023 ILE ILE A . n A 1 145 TYR 145 1024 1024 TYR TYR A . n A 1 146 TYR 146 1025 1025 TYR TYR A . n A 1 147 SER 147 1026 1026 SER SER A . n A 1 148 THR 148 1027 1027 THR THR A . n A 1 149 ASP 149 1028 1028 ASP ASP A . n A 1 150 VAL 150 1029 1029 VAL VAL A . n A 1 151 ASN 151 1030 1030 ASN ASN A . n A 1 152 ALA 152 1031 1031 ALA ALA A . n A 1 153 GLU 153 1032 1032 GLU GLU A . n A 1 154 ILE 154 1033 1033 ILE ILE A . n A 1 155 HIS 155 1034 1034 HIS HIS A . n A 1 156 ASP 156 1035 1035 ASP ASP A . n A 1 157 TRP 157 1036 1036 TRP TRP A . n A 1 158 VAL 158 1037 1037 VAL VAL A . n A 1 159 ILE 159 1038 1038 ILE ILE A . n A 1 160 GLU 160 1039 1039 GLU GLU A . n A 1 161 PRO 161 1040 1040 PRO PRO A . n A 1 162 VAL 162 1041 1041 VAL VAL A . n A 1 163 VAL 163 1042 1042 VAL VAL A . n A 1 164 GLY 164 1043 1043 GLY GLY A . n A 1 165 ASN 165 1044 1044 ASN ASN A . n A 1 166 ARG 166 1045 1045 ARG ARG A . n A 1 167 LEU 167 1046 1046 LEU LEU A . n A 1 168 THR 168 1047 1047 THR THR A . n A 1 169 HIS 169 1048 1048 HIS HIS A . n A 1 170 GLN 170 1049 1049 GLN GLN A . n A 1 171 ILE 171 1050 1050 ILE ILE A . n A 1 172 GLN 172 1051 1051 GLN GLN A . n A 1 173 GLU 173 1052 1052 GLU GLU A . n A 1 174 LEU 174 1053 1053 LEU LEU A . n A 1 175 THR 175 1054 1054 THR THR A . n A 1 176 LEU 176 1055 1055 LEU LEU A . n A 1 177 ASP 177 1056 1056 ASP ASP A . n A 1 178 THR 178 1057 1057 THR THR A . n A 1 179 PRO 179 1058 1058 PRO PRO A . n A 1 180 TYR 180 1059 1059 TYR TYR A . n A 1 181 TYR 181 1060 1060 TYR TYR A . n A 1 182 PHE 182 1061 1061 PHE PHE A . n A 1 183 LYS 183 1062 1062 LYS LYS A . n A 1 184 ILE 184 1063 1063 ILE ILE A . n A 1 185 GLN 185 1064 1064 GLN GLN A . n A 1 186 ALA 186 1065 1065 ALA ALA A . n A 1 187 ARG 187 1066 1066 ARG ARG A . n A 1 188 ASN 188 1067 1067 ASN ASN A . n A 1 189 SER 189 1068 1068 SER SER A . n A 1 190 LYS 190 1069 1069 LYS LYS A . n A 1 191 GLY 191 1070 1070 GLY GLY A . n A 1 192 MET 192 1071 1071 MET MET A . n A 1 193 GLY 193 1072 1072 GLY GLY A . n A 1 194 PRO 194 1073 1073 PRO PRO A . n A 1 195 MET 195 1074 1074 MET MET A . n A 1 196 SER 196 1075 1075 SER SER A . n A 1 197 GLU 197 1076 1076 GLU GLU A . n A 1 198 ALA 198 1077 1077 ALA ALA A . n A 1 199 VAL 199 1078 1078 VAL VAL A . n A 1 200 GLN 200 1079 1079 GLN GLN A . n A 1 201 PHE 201 1080 1080 PHE PHE A . n A 1 202 ARG 202 1081 1081 ARG ARG A . n A 1 203 THR 203 1082 1082 THR THR A . n A 1 204 PRO 204 1083 1083 PRO PRO A . n A 1 205 LYS 205 1084 ? ? ? A . n A 1 206 ALA 206 1085 ? ? ? A . n A 1 207 ASP 207 1086 ? ? ? A . n A 1 208 SER 208 1087 ? ? ? A . n A 1 209 SER 209 1088 ? ? ? A . n A 1 210 ASP 210 1089 ? ? ? A . n A 1 211 LYS 211 1090 ? ? ? A . n A 1 212 MET 212 1091 ? ? ? A . n A 1 213 PRO 213 1092 ? ? ? A . n A 1 214 ASN 214 1093 ? ? ? A . n A 1 215 ASP 215 1094 ? ? ? A . n A 1 216 GLN 216 1095 ? ? ? A . n A 1 217 ALA 217 1096 ? ? ? A . n A 1 218 LEU 218 1097 ? ? ? A . n A 1 219 GLY 219 1098 ? ? ? A . n A 1 220 SER 220 1099 ? ? ? A . n A 1 221 ALA 221 1100 ? ? ? A . n A 1 222 GLY 222 1101 ? ? ? A . n A 1 223 LYS 223 1102 ? ? ? A . n A 1 224 GLY 224 1103 ? ? ? A . n A 1 225 SER 225 1104 ? ? ? A . n A 1 226 ARG 226 1105 ? ? ? A . n A 1 227 LEU 227 1106 ? ? ? A . n A 1 228 PRO 228 1107 ? ? ? A . n A 1 229 ASP 229 1108 ? ? ? A . n A 1 230 LEU 230 1109 ? ? ? A . n A 1 231 GLY 231 1110 ? ? ? A . n A 1 232 SER 232 1111 ? ? ? A . n A 1 233 ASP 233 1112 ? ? ? A . n A 1 234 TYR 234 1113 ? ? ? A . n A 1 235 LYS 235 1114 ? ? ? A . n A 1 236 PRO 236 1115 ? ? ? A . n A 1 237 PRO 237 1116 ? ? ? A . n A 1 238 MET 238 1117 ? ? ? A . n A 1 239 SER 239 1118 ? ? ? A . n A 1 240 GLY 240 1119 ? ? ? A . n A 1 241 SER 241 1120 ? ? ? A . n A 1 242 ASN 242 1121 ? ? ? A . n A 1 243 SER 243 1122 ? ? ? A . n A 1 244 PRO 244 1123 ? ? ? A . n A 1 245 HIS 245 1124 ? ? ? A . n A 1 246 GLY 246 1125 ? ? ? A . n A 1 247 SER 247 1126 ? ? ? A . n A 1 248 PRO 248 1127 ? ? ? A . n A 1 249 THR 249 1128 ? ? ? A . n A 1 250 SER 250 1129 ? ? ? A . n A 1 251 PRO 251 1130 ? ? ? A . n A 1 252 LEU 252 1131 ? ? ? A . n A 1 253 ASP 253 1132 ? ? ? A . n A 1 254 SER 254 1133 ? ? ? A . n A 1 255 ASN 255 1134 ? ? ? A . n A 1 256 GLY 256 1135 ? ? ? A . n A 1 257 THR 257 1136 ? ? ? A . n A 1 258 LYS 258 1137 ? ? ? A . n A 1 259 HIS 259 1138 ? ? ? A . n A 1 260 HIS 260 1139 ? ? ? A . n A 1 261 HIS 261 1140 ? ? ? A . n A 1 262 HIS 262 1141 ? ? ? A . n A 1 263 HIS 263 1142 ? ? ? A . n A 1 264 HIS 264 1143 ? ? ? A . n B 1 1 GLU 1 880 ? ? ? B . n B 1 2 THR 2 881 ? ? ? B . n B 1 3 GLY 3 882 ? ? ? B . n B 1 4 THR 4 883 ? ? ? B . n B 1 5 PRO 5 884 884 PRO PRO B . n B 1 6 MET 6 885 885 MET MET B . n B 1 7 MET 7 886 886 MET MET B . n B 1 8 PRO 8 887 887 PRO PRO B . n B 1 9 PRO 9 888 888 PRO PRO B . n B 1 10 VAL 10 889 889 VAL VAL B . n B 1 11 GLY 11 890 890 GLY GLY B . n B 1 12 VAL 12 891 891 VAL VAL B . n B 1 13 GLN 13 892 892 GLN GLN B . n B 1 14 ALA 14 893 893 ALA ALA B . n B 1 15 SER 15 894 894 SER SER B . n B 1 16 ILE 16 895 895 ILE ILE B . n B 1 17 LEU 17 896 896 LEU LEU B . n B 1 18 SER 18 897 897 SER SER B . n B 1 19 HIS 19 898 898 HIS HIS B . n B 1 20 ASP 20 899 899 ASP ASP B . n B 1 21 THR 21 900 900 THR THR B . n B 1 22 ILE 22 901 901 ILE ILE B . n B 1 23 ARG 23 902 902 ARG ARG B . n B 1 24 ILE 24 903 903 ILE ILE B . n B 1 25 THR 25 904 904 THR THR B . n B 1 26 TRP 26 905 905 TRP TRP B . n B 1 27 ALA 27 906 906 ALA ALA B . n B 1 28 ASP 28 907 907 ASP ASP B . n B 1 29 ASN 29 908 908 ASN ASN B . n B 1 30 SER 30 909 909 SER SER B . n B 1 31 LEU 31 910 ? ? ? B . n B 1 32 PRO 32 911 ? ? ? B . n B 1 33 LYS 33 912 ? ? ? B . n B 1 34 HIS 34 913 ? ? ? B . n B 1 35 GLN 35 914 ? ? ? B . n B 1 36 LYS 36 915 915 LYS LYS B . n B 1 37 ILE 37 916 916 ILE ILE B . n B 1 38 THR 38 917 917 THR THR B . n B 1 39 ASP 39 918 918 ASP ASP B . n B 1 40 SER 40 919 919 SER SER B . n B 1 41 ARG 41 920 920 ARG ARG B . n B 1 42 TYR 42 921 921 TYR TYR B . n B 1 43 TYR 43 922 922 TYR TYR B . n B 1 44 THR 44 923 923 THR THR B . n B 1 45 VAL 45 924 924 VAL VAL B . n B 1 46 ARG 46 925 925 ARG ARG B . n B 1 47 TRP 47 926 926 TRP TRP B . n B 1 48 LYS 48 927 927 LYS LYS B . n B 1 49 THR 49 928 928 THR THR B . n B 1 50 ASN 50 929 929 ASN ASN B . n B 1 51 ILE 51 930 930 ILE ILE B . n B 1 52 PRO 52 931 931 PRO PRO B . n B 1 53 ALA 53 932 932 ALA ALA B . n B 1 54 ASN 54 933 933 ASN ASN B . n B 1 55 THR 55 934 934 THR THR B . n B 1 56 LYS 56 935 935 LYS LYS B . n B 1 57 TYR 57 936 936 TYR TYR B . n B 1 58 LYS 58 937 937 LYS LYS B . n B 1 59 ASN 59 938 938 ASN ASN B . n B 1 60 ALA 60 939 939 ALA ALA B . n B 1 61 ASN 61 940 940 ASN ASN B . n B 1 62 ALA 62 941 941 ALA ALA B . n B 1 63 THR 63 942 942 THR THR B . n B 1 64 THR 64 943 943 THR THR B . n B 1 65 LEU 65 944 944 LEU LEU B . n B 1 66 SER 66 945 945 SER SER B . n B 1 67 TYR 67 946 946 TYR TYR B . n B 1 68 LEU 68 947 947 LEU LEU B . n B 1 69 VAL 69 948 948 VAL VAL B . n B 1 70 THR 70 949 949 THR THR B . n B 1 71 GLY 71 950 950 GLY GLY B . n B 1 72 LEU 72 951 951 LEU LEU B . n B 1 73 LYS 73 952 952 LYS LYS B . n B 1 74 PRO 74 953 953 PRO PRO B . n B 1 75 ASN 75 954 954 ASN ASN B . n B 1 76 THR 76 955 955 THR THR B . n B 1 77 LEU 77 956 956 LEU LEU B . n B 1 78 TYR 78 957 957 TYR TYR B . n B 1 79 GLU 79 958 958 GLU GLU B . n B 1 80 PHE 80 959 959 PHE PHE B . n B 1 81 SER 81 960 960 SER SER B . n B 1 82 VAL 82 961 961 VAL VAL B . n B 1 83 MET 83 962 962 MET MET B . n B 1 84 VAL 84 963 963 VAL VAL B . n B 1 85 THR 85 964 964 THR THR B . n B 1 86 LYS 86 965 965 LYS LYS B . n B 1 87 GLY 87 966 966 GLY GLY B . n B 1 88 ARG 88 967 967 ARG ARG B . n B 1 89 ARG 89 968 968 ARG ARG B . n B 1 90 SER 90 969 969 SER SER B . n B 1 91 SER 91 970 970 SER SER B . n B 1 92 THR 92 971 971 THR THR B . n B 1 93 TRP 93 972 972 TRP TRP B . n B 1 94 SER 94 973 973 SER SER B . n B 1 95 MET 95 974 974 MET MET B . n B 1 96 THR 96 975 975 THR THR B . n B 1 97 ALA 97 976 976 ALA ALA B . n B 1 98 HIS 98 977 977 HIS HIS B . n B 1 99 GLY 99 978 978 GLY GLY B . n B 1 100 ALA 100 979 979 ALA ALA B . n B 1 101 THR 101 980 980 THR THR B . n B 1 102 PHE 102 981 981 PHE PHE B . n B 1 103 GLU 103 982 982 GLU GLU B . n B 1 104 LEU 104 983 983 LEU LEU B . n B 1 105 VAL 105 984 984 VAL VAL B . n B 1 106 PRO 106 985 985 PRO PRO B . n B 1 107 THR 107 986 986 THR THR B . n B 1 108 SER 108 987 987 SER SER B . n B 1 109 PRO 109 988 988 PRO PRO B . n B 1 110 PRO 110 989 989 PRO PRO B . n B 1 111 LYS 111 990 990 LYS LYS B . n B 1 112 ASP 112 991 991 ASP ASP B . n B 1 113 VAL 113 992 992 VAL VAL B . n B 1 114 THR 114 993 993 THR THR B . n B 1 115 VAL 115 994 994 VAL VAL B . n B 1 116 VAL 116 995 995 VAL VAL B . n B 1 117 SER 117 996 996 SER SER B . n B 1 118 LYS 118 997 997 LYS LYS B . n B 1 119 GLU 119 998 998 GLU GLU B . n B 1 120 GLY 120 999 999 GLY GLY B . n B 1 121 LYS 121 1000 1000 LYS LYS B . n B 1 122 PRO 122 1001 1001 PRO PRO B . n B 1 123 ARG 123 1002 1002 ARG ARG B . n B 1 124 THR 124 1003 1003 THR THR B . n B 1 125 ILE 125 1004 1004 ILE ILE B . n B 1 126 ILE 126 1005 1005 ILE ILE B . n B 1 127 VAL 127 1006 1006 VAL VAL B . n B 1 128 ASN 128 1007 1007 ASN ASN B . n B 1 129 TRP 129 1008 1008 TRP TRP B . n B 1 130 GLN 130 1009 1009 GLN GLN B . n B 1 131 PRO 131 1010 1010 PRO PRO B . n B 1 132 PRO 132 1011 1011 PRO PRO B . n B 1 133 SER 133 1012 1012 SER SER B . n B 1 134 GLU 134 1013 1013 GLU GLU B . n B 1 135 ALA 135 1014 1014 ALA ALA B . n B 1 136 ASN 136 1015 1015 ASN ASN B . n B 1 137 GLY 137 1016 1016 GLY GLY B . n B 1 138 LYS 138 1017 1017 LYS LYS B . n B 1 139 ILE 139 1018 1018 ILE ILE B . n B 1 140 THR 140 1019 1019 THR THR B . n B 1 141 GLY 141 1020 1020 GLY GLY B . n B 1 142 TYR 142 1021 1021 TYR TYR B . n B 1 143 ILE 143 1022 1022 ILE ILE B . n B 1 144 ILE 144 1023 1023 ILE ILE B . n B 1 145 TYR 145 1024 1024 TYR TYR B . n B 1 146 TYR 146 1025 1025 TYR TYR B . n B 1 147 SER 147 1026 1026 SER SER B . n B 1 148 THR 148 1027 1027 THR THR B . n B 1 149 ASP 149 1028 1028 ASP ASP B . n B 1 150 VAL 150 1029 1029 VAL VAL B . n B 1 151 ASN 151 1030 1030 ASN ASN B . n B 1 152 ALA 152 1031 1031 ALA ALA B . n B 1 153 GLU 153 1032 1032 GLU GLU B . n B 1 154 ILE 154 1033 1033 ILE ILE B . n B 1 155 HIS 155 1034 1034 HIS HIS B . n B 1 156 ASP 156 1035 1035 ASP ASP B . n B 1 157 TRP 157 1036 1036 TRP TRP B . n B 1 158 VAL 158 1037 1037 VAL VAL B . n B 1 159 ILE 159 1038 1038 ILE ILE B . n B 1 160 GLU 160 1039 1039 GLU GLU B . n B 1 161 PRO 161 1040 1040 PRO PRO B . n B 1 162 VAL 162 1041 1041 VAL VAL B . n B 1 163 VAL 163 1042 1042 VAL VAL B . n B 1 164 GLY 164 1043 1043 GLY GLY B . n B 1 165 ASN 165 1044 1044 ASN ASN B . n B 1 166 ARG 166 1045 1045 ARG ARG B . n B 1 167 LEU 167 1046 1046 LEU LEU B . n B 1 168 THR 168 1047 1047 THR THR B . n B 1 169 HIS 169 1048 1048 HIS HIS B . n B 1 170 GLN 170 1049 1049 GLN GLN B . n B 1 171 ILE 171 1050 1050 ILE ILE B . n B 1 172 GLN 172 1051 1051 GLN GLN B . n B 1 173 GLU 173 1052 1052 GLU GLU B . n B 1 174 LEU 174 1053 1053 LEU LEU B . n B 1 175 THR 175 1054 1054 THR THR B . n B 1 176 LEU 176 1055 1055 LEU LEU B . n B 1 177 ASP 177 1056 1056 ASP ASP B . n B 1 178 THR 178 1057 1057 THR THR B . n B 1 179 PRO 179 1058 1058 PRO PRO B . n B 1 180 TYR 180 1059 1059 TYR TYR B . n B 1 181 TYR 181 1060 1060 TYR TYR B . n B 1 182 PHE 182 1061 1061 PHE PHE B . n B 1 183 LYS 183 1062 1062 LYS LYS B . n B 1 184 ILE 184 1063 1063 ILE ILE B . n B 1 185 GLN 185 1064 1064 GLN GLN B . n B 1 186 ALA 186 1065 1065 ALA ALA B . n B 1 187 ARG 187 1066 1066 ARG ARG B . n B 1 188 ASN 188 1067 1067 ASN ASN B . n B 1 189 SER 189 1068 1068 SER SER B . n B 1 190 LYS 190 1069 1069 LYS LYS B . n B 1 191 GLY 191 1070 1070 GLY GLY B . n B 1 192 MET 192 1071 1071 MET MET B . n B 1 193 GLY 193 1072 1072 GLY GLY B . n B 1 194 PRO 194 1073 1073 PRO PRO B . n B 1 195 MET 195 1074 1074 MET MET B . n B 1 196 SER 196 1075 1075 SER SER B . n B 1 197 GLU 197 1076 1076 GLU GLU B . n B 1 198 ALA 198 1077 1077 ALA ALA B . n B 1 199 VAL 199 1078 1078 VAL VAL B . n B 1 200 GLN 200 1079 1079 GLN GLN B . n B 1 201 PHE 201 1080 1080 PHE PHE B . n B 1 202 ARG 202 1081 1081 ARG ARG B . n B 1 203 THR 203 1082 1082 THR THR B . n B 1 204 PRO 204 1083 1083 PRO PRO B . n B 1 205 LYS 205 1084 ? ? ? B . n B 1 206 ALA 206 1085 ? ? ? B . n B 1 207 ASP 207 1086 ? ? ? B . n B 1 208 SER 208 1087 ? ? ? B . n B 1 209 SER 209 1088 ? ? ? B . n B 1 210 ASP 210 1089 ? ? ? B . n B 1 211 LYS 211 1090 ? ? ? B . n B 1 212 MET 212 1091 ? ? ? B . n B 1 213 PRO 213 1092 ? ? ? B . n B 1 214 ASN 214 1093 ? ? ? B . n B 1 215 ASP 215 1094 ? ? ? B . n B 1 216 GLN 216 1095 ? ? ? B . n B 1 217 ALA 217 1096 ? ? ? B . n B 1 218 LEU 218 1097 ? ? ? B . n B 1 219 GLY 219 1098 ? ? ? B . n B 1 220 SER 220 1099 ? ? ? B . n B 1 221 ALA 221 1100 ? ? ? B . n B 1 222 GLY 222 1101 ? ? ? B . n B 1 223 LYS 223 1102 ? ? ? B . n B 1 224 GLY 224 1103 ? ? ? B . n B 1 225 SER 225 1104 ? ? ? B . n B 1 226 ARG 226 1105 ? ? ? B . n B 1 227 LEU 227 1106 ? ? ? B . n B 1 228 PRO 228 1107 ? ? ? B . n B 1 229 ASP 229 1108 ? ? ? B . n B 1 230 LEU 230 1109 ? ? ? B . n B 1 231 GLY 231 1110 ? ? ? B . n B 1 232 SER 232 1111 ? ? ? B . n B 1 233 ASP 233 1112 ? ? ? B . n B 1 234 TYR 234 1113 ? ? ? B . n B 1 235 LYS 235 1114 ? ? ? B . n B 1 236 PRO 236 1115 ? ? ? B . n B 1 237 PRO 237 1116 ? ? ? B . n B 1 238 MET 238 1117 ? ? ? B . n B 1 239 SER 239 1118 ? ? ? B . n B 1 240 GLY 240 1119 ? ? ? B . n B 1 241 SER 241 1120 ? ? ? B . n B 1 242 ASN 242 1121 ? ? ? B . n B 1 243 SER 243 1122 ? ? ? B . n B 1 244 PRO 244 1123 ? ? ? B . n B 1 245 HIS 245 1124 ? ? ? B . n B 1 246 GLY 246 1125 ? ? ? B . n B 1 247 SER 247 1126 ? ? ? B . n B 1 248 PRO 248 1127 ? ? ? B . n B 1 249 THR 249 1128 ? ? ? B . n B 1 250 SER 250 1129 ? ? ? B . n B 1 251 PRO 251 1130 ? ? ? B . n B 1 252 LEU 252 1131 ? ? ? B . n B 1 253 ASP 253 1132 ? ? ? B . n B 1 254 SER 254 1133 ? ? ? B . n B 1 255 ASN 255 1134 ? ? ? B . n B 1 256 GLY 256 1135 ? ? ? B . n B 1 257 THR 257 1136 ? ? ? B . n B 1 258 LYS 258 1137 ? ? ? B . n B 1 259 HIS 259 1138 ? ? ? B . n B 1 260 HIS 260 1139 ? ? ? B . n B 1 261 HIS 261 1140 ? ? ? B . n B 1 262 HIS 262 1141 ? ? ? B . n B 1 263 HIS 263 1142 ? ? ? B . n B 1 264 HIS 264 1143 ? ? ? B . n C 1 1 GLU 1 880 ? ? ? C . n C 1 2 THR 2 881 ? ? ? C . n C 1 3 GLY 3 882 ? ? ? C . n C 1 4 THR 4 883 883 THR THR C . n C 1 5 PRO 5 884 884 PRO PRO C . n C 1 6 MET 6 885 885 MET MET C . n C 1 7 MET 7 886 886 MET MET C . n C 1 8 PRO 8 887 887 PRO PRO C . n C 1 9 PRO 9 888 888 PRO PRO C . n C 1 10 VAL 10 889 889 VAL VAL C . n C 1 11 GLY 11 890 890 GLY GLY C . n C 1 12 VAL 12 891 891 VAL VAL C . n C 1 13 GLN 13 892 892 GLN GLN C . n C 1 14 ALA 14 893 893 ALA ALA C . n C 1 15 SER 15 894 894 SER SER C . n C 1 16 ILE 16 895 895 ILE ILE C . n C 1 17 LEU 17 896 896 LEU LEU C . n C 1 18 SER 18 897 897 SER SER C . n C 1 19 HIS 19 898 898 HIS HIS C . n C 1 20 ASP 20 899 899 ASP ASP C . n C 1 21 THR 21 900 900 THR THR C . n C 1 22 ILE 22 901 901 ILE ILE C . n C 1 23 ARG 23 902 902 ARG ARG C . n C 1 24 ILE 24 903 903 ILE ILE C . n C 1 25 THR 25 904 904 THR THR C . n C 1 26 TRP 26 905 905 TRP TRP C . n C 1 27 ALA 27 906 906 ALA ALA C . n C 1 28 ASP 28 907 907 ASP ASP C . n C 1 29 ASN 29 908 908 ASN ASN C . n C 1 30 SER 30 909 909 SER SER C . n C 1 31 LEU 31 910 910 LEU LEU C . n C 1 32 PRO 32 911 911 PRO PRO C . n C 1 33 LYS 33 912 912 LYS LYS C . n C 1 34 HIS 34 913 913 HIS HIS C . n C 1 35 GLN 35 914 914 GLN GLN C . n C 1 36 LYS 36 915 915 LYS LYS C . n C 1 37 ILE 37 916 916 ILE ILE C . n C 1 38 THR 38 917 917 THR THR C . n C 1 39 ASP 39 918 918 ASP ASP C . n C 1 40 SER 40 919 919 SER SER C . n C 1 41 ARG 41 920 920 ARG ARG C . n C 1 42 TYR 42 921 921 TYR TYR C . n C 1 43 TYR 43 922 922 TYR TYR C . n C 1 44 THR 44 923 923 THR THR C . n C 1 45 VAL 45 924 924 VAL VAL C . n C 1 46 ARG 46 925 925 ARG ARG C . n C 1 47 TRP 47 926 926 TRP TRP C . n C 1 48 LYS 48 927 927 LYS LYS C . n C 1 49 THR 49 928 928 THR THR C . n C 1 50 ASN 50 929 929 ASN ASN C . n C 1 51 ILE 51 930 930 ILE ILE C . n C 1 52 PRO 52 931 ? ? ? C . n C 1 53 ALA 53 932 ? ? ? C . n C 1 54 ASN 54 933 933 ASN ASN C . n C 1 55 THR 55 934 934 THR THR C . n C 1 56 LYS 56 935 935 LYS LYS C . n C 1 57 TYR 57 936 936 TYR TYR C . n C 1 58 LYS 58 937 937 LYS LYS C . n C 1 59 ASN 59 938 938 ASN ASN C . n C 1 60 ALA 60 939 939 ALA ALA C . n C 1 61 ASN 61 940 940 ASN ASN C . n C 1 62 ALA 62 941 941 ALA ALA C . n C 1 63 THR 63 942 942 THR THR C . n C 1 64 THR 64 943 943 THR THR C . n C 1 65 LEU 65 944 944 LEU LEU C . n C 1 66 SER 66 945 945 SER SER C . n C 1 67 TYR 67 946 946 TYR TYR C . n C 1 68 LEU 68 947 947 LEU LEU C . n C 1 69 VAL 69 948 948 VAL VAL C . n C 1 70 THR 70 949 949 THR THR C . n C 1 71 GLY 71 950 950 GLY GLY C . n C 1 72 LEU 72 951 951 LEU LEU C . n C 1 73 LYS 73 952 952 LYS LYS C . n C 1 74 PRO 74 953 953 PRO PRO C . n C 1 75 ASN 75 954 954 ASN ASN C . n C 1 76 THR 76 955 955 THR THR C . n C 1 77 LEU 77 956 956 LEU LEU C . n C 1 78 TYR 78 957 957 TYR TYR C . n C 1 79 GLU 79 958 958 GLU GLU C . n C 1 80 PHE 80 959 959 PHE PHE C . n C 1 81 SER 81 960 960 SER SER C . n C 1 82 VAL 82 961 961 VAL VAL C . n C 1 83 MET 83 962 962 MET MET C . n C 1 84 VAL 84 963 963 VAL VAL C . n C 1 85 THR 85 964 964 THR THR C . n C 1 86 LYS 86 965 965 LYS LYS C . n C 1 87 GLY 87 966 966 GLY GLY C . n C 1 88 ARG 88 967 967 ARG ARG C . n C 1 89 ARG 89 968 968 ARG ARG C . n C 1 90 SER 90 969 969 SER SER C . n C 1 91 SER 91 970 970 SER SER C . n C 1 92 THR 92 971 971 THR THR C . n C 1 93 TRP 93 972 972 TRP TRP C . n C 1 94 SER 94 973 973 SER SER C . n C 1 95 MET 95 974 974 MET MET C . n C 1 96 THR 96 975 975 THR THR C . n C 1 97 ALA 97 976 976 ALA ALA C . n C 1 98 HIS 98 977 977 HIS HIS C . n C 1 99 GLY 99 978 978 GLY GLY C . n C 1 100 ALA 100 979 979 ALA ALA C . n C 1 101 THR 101 980 980 THR THR C . n C 1 102 PHE 102 981 981 PHE PHE C . n C 1 103 GLU 103 982 982 GLU GLU C . n C 1 104 LEU 104 983 983 LEU LEU C . n C 1 105 VAL 105 984 984 VAL VAL C . n C 1 106 PRO 106 985 985 PRO PRO C . n C 1 107 THR 107 986 986 THR THR C . n C 1 108 SER 108 987 987 SER SER C . n C 1 109 PRO 109 988 988 PRO PRO C . n C 1 110 PRO 110 989 989 PRO PRO C . n C 1 111 LYS 111 990 990 LYS LYS C . n C 1 112 ASP 112 991 991 ASP ASP C . n C 1 113 VAL 113 992 992 VAL VAL C . n C 1 114 THR 114 993 993 THR THR C . n C 1 115 VAL 115 994 994 VAL VAL C . n C 1 116 VAL 116 995 995 VAL VAL C . n C 1 117 SER 117 996 996 SER SER C . n C 1 118 LYS 118 997 997 LYS LYS C . n C 1 119 GLU 119 998 998 GLU GLU C . n C 1 120 GLY 120 999 999 GLY GLY C . n C 1 121 LYS 121 1000 1000 LYS LYS C . n C 1 122 PRO 122 1001 1001 PRO PRO C . n C 1 123 ARG 123 1002 1002 ARG ARG C . n C 1 124 THR 124 1003 1003 THR THR C . n C 1 125 ILE 125 1004 1004 ILE ILE C . n C 1 126 ILE 126 1005 1005 ILE ILE C . n C 1 127 VAL 127 1006 1006 VAL VAL C . n C 1 128 ASN 128 1007 1007 ASN ASN C . n C 1 129 TRP 129 1008 1008 TRP TRP C . n C 1 130 GLN 130 1009 1009 GLN GLN C . n C 1 131 PRO 131 1010 1010 PRO PRO C . n C 1 132 PRO 132 1011 1011 PRO PRO C . n C 1 133 SER 133 1012 1012 SER SER C . n C 1 134 GLU 134 1013 1013 GLU GLU C . n C 1 135 ALA 135 1014 1014 ALA ALA C . n C 1 136 ASN 136 1015 1015 ASN ASN C . n C 1 137 GLY 137 1016 1016 GLY GLY C . n C 1 138 LYS 138 1017 1017 LYS LYS C . n C 1 139 ILE 139 1018 1018 ILE ILE C . n C 1 140 THR 140 1019 1019 THR THR C . n C 1 141 GLY 141 1020 1020 GLY GLY C . n C 1 142 TYR 142 1021 1021 TYR TYR C . n C 1 143 ILE 143 1022 1022 ILE ILE C . n C 1 144 ILE 144 1023 1023 ILE ILE C . n C 1 145 TYR 145 1024 1024 TYR TYR C . n C 1 146 TYR 146 1025 1025 TYR TYR C . n C 1 147 SER 147 1026 1026 SER SER C . n C 1 148 THR 148 1027 1027 THR THR C . n C 1 149 ASP 149 1028 1028 ASP ASP C . n C 1 150 VAL 150 1029 1029 VAL VAL C . n C 1 151 ASN 151 1030 1030 ASN ASN C . n C 1 152 ALA 152 1031 1031 ALA ALA C . n C 1 153 GLU 153 1032 1032 GLU GLU C . n C 1 154 ILE 154 1033 1033 ILE ILE C . n C 1 155 HIS 155 1034 1034 HIS HIS C . n C 1 156 ASP 156 1035 1035 ASP ASP C . n C 1 157 TRP 157 1036 1036 TRP TRP C . n C 1 158 VAL 158 1037 1037 VAL VAL C . n C 1 159 ILE 159 1038 1038 ILE ILE C . n C 1 160 GLU 160 1039 1039 GLU GLU C . n C 1 161 PRO 161 1040 1040 PRO PRO C . n C 1 162 VAL 162 1041 1041 VAL VAL C . n C 1 163 VAL 163 1042 1042 VAL VAL C . n C 1 164 GLY 164 1043 1043 GLY GLY C . n C 1 165 ASN 165 1044 1044 ASN ASN C . n C 1 166 ARG 166 1045 1045 ARG ARG C . n C 1 167 LEU 167 1046 1046 LEU LEU C . n C 1 168 THR 168 1047 1047 THR THR C . n C 1 169 HIS 169 1048 1048 HIS HIS C . n C 1 170 GLN 170 1049 1049 GLN GLN C . n C 1 171 ILE 171 1050 1050 ILE ILE C . n C 1 172 GLN 172 1051 1051 GLN GLN C . n C 1 173 GLU 173 1052 1052 GLU GLU C . n C 1 174 LEU 174 1053 1053 LEU LEU C . n C 1 175 THR 175 1054 1054 THR THR C . n C 1 176 LEU 176 1055 1055 LEU LEU C . n C 1 177 ASP 177 1056 1056 ASP ASP C . n C 1 178 THR 178 1057 1057 THR THR C . n C 1 179 PRO 179 1058 1058 PRO PRO C . n C 1 180 TYR 180 1059 1059 TYR TYR C . n C 1 181 TYR 181 1060 1060 TYR TYR C . n C 1 182 PHE 182 1061 1061 PHE PHE C . n C 1 183 LYS 183 1062 1062 LYS LYS C . n C 1 184 ILE 184 1063 1063 ILE ILE C . n C 1 185 GLN 185 1064 1064 GLN GLN C . n C 1 186 ALA 186 1065 1065 ALA ALA C . n C 1 187 ARG 187 1066 1066 ARG ARG C . n C 1 188 ASN 188 1067 1067 ASN ASN C . n C 1 189 SER 189 1068 1068 SER SER C . n C 1 190 LYS 190 1069 1069 LYS LYS C . n C 1 191 GLY 191 1070 1070 GLY GLY C . n C 1 192 MET 192 1071 1071 MET MET C . n C 1 193 GLY 193 1072 1072 GLY GLY C . n C 1 194 PRO 194 1073 1073 PRO PRO C . n C 1 195 MET 195 1074 1074 MET MET C . n C 1 196 SER 196 1075 1075 SER SER C . n C 1 197 GLU 197 1076 1076 GLU GLU C . n C 1 198 ALA 198 1077 1077 ALA ALA C . n C 1 199 VAL 199 1078 1078 VAL VAL C . n C 1 200 GLN 200 1079 1079 GLN GLN C . n C 1 201 PHE 201 1080 1080 PHE PHE C . n C 1 202 ARG 202 1081 1081 ARG ARG C . n C 1 203 THR 203 1082 1082 THR THR C . n C 1 204 PRO 204 1083 1083 PRO PRO C . n C 1 205 LYS 205 1084 ? ? ? C . n C 1 206 ALA 206 1085 ? ? ? C . n C 1 207 ASP 207 1086 ? ? ? C . n C 1 208 SER 208 1087 ? ? ? C . n C 1 209 SER 209 1088 ? ? ? C . n C 1 210 ASP 210 1089 ? ? ? C . n C 1 211 LYS 211 1090 ? ? ? C . n C 1 212 MET 212 1091 ? ? ? C . n C 1 213 PRO 213 1092 ? ? ? C . n C 1 214 ASN 214 1093 ? ? ? C . n C 1 215 ASP 215 1094 ? ? ? C . n C 1 216 GLN 216 1095 ? ? ? C . n C 1 217 ALA 217 1096 ? ? ? C . n C 1 218 LEU 218 1097 ? ? ? C . n C 1 219 GLY 219 1098 ? ? ? C . n C 1 220 SER 220 1099 ? ? ? C . n C 1 221 ALA 221 1100 ? ? ? C . n C 1 222 GLY 222 1101 ? ? ? C . n C 1 223 LYS 223 1102 ? ? ? C . n C 1 224 GLY 224 1103 ? ? ? C . n C 1 225 SER 225 1104 ? ? ? C . n C 1 226 ARG 226 1105 ? ? ? C . n C 1 227 LEU 227 1106 ? ? ? C . n C 1 228 PRO 228 1107 ? ? ? C . n C 1 229 ASP 229 1108 ? ? ? C . n C 1 230 LEU 230 1109 ? ? ? C . n C 1 231 GLY 231 1110 ? ? ? C . n C 1 232 SER 232 1111 ? ? ? C . n C 1 233 ASP 233 1112 ? ? ? C . n C 1 234 TYR 234 1113 ? ? ? C . n C 1 235 LYS 235 1114 ? ? ? C . n C 1 236 PRO 236 1115 ? ? ? C . n C 1 237 PRO 237 1116 ? ? ? C . n C 1 238 MET 238 1117 ? ? ? C . n C 1 239 SER 239 1118 ? ? ? C . n C 1 240 GLY 240 1119 ? ? ? C . n C 1 241 SER 241 1120 ? ? ? C . n C 1 242 ASN 242 1121 ? ? ? C . n C 1 243 SER 243 1122 ? ? ? C . n C 1 244 PRO 244 1123 ? ? ? C . n C 1 245 HIS 245 1124 ? ? ? C . n C 1 246 GLY 246 1125 ? ? ? C . n C 1 247 SER 247 1126 ? ? ? C . n C 1 248 PRO 248 1127 ? ? ? C . n C 1 249 THR 249 1128 ? ? ? C . n C 1 250 SER 250 1129 ? ? ? C . n C 1 251 PRO 251 1130 ? ? ? C . n C 1 252 LEU 252 1131 ? ? ? C . n C 1 253 ASP 253 1132 ? ? ? C . n C 1 254 SER 254 1133 ? ? ? C . n C 1 255 ASN 255 1134 ? ? ? C . n C 1 256 GLY 256 1135 ? ? ? C . n C 1 257 THR 257 1136 ? ? ? C . n C 1 258 LYS 258 1137 ? ? ? C . n C 1 259 HIS 259 1138 ? ? ? C . n C 1 260 HIS 260 1139 ? ? ? C . n C 1 261 HIS 261 1140 ? ? ? C . n C 1 262 HIS 262 1141 ? ? ? C . n C 1 263 HIS 263 1142 ? ? ? C . n C 1 264 HIS 264 1143 ? ? ? C . n D 1 1 GLU 1 880 ? ? ? D . n D 1 2 THR 2 881 ? ? ? D . n D 1 3 GLY 3 882 ? ? ? D . n D 1 4 THR 4 883 883 THR THR D . n D 1 5 PRO 5 884 884 PRO PRO D . n D 1 6 MET 6 885 885 MET MET D . n D 1 7 MET 7 886 886 MET MET D . n D 1 8 PRO 8 887 887 PRO PRO D . n D 1 9 PRO 9 888 888 PRO PRO D . n D 1 10 VAL 10 889 889 VAL VAL D . n D 1 11 GLY 11 890 890 GLY GLY D . n D 1 12 VAL 12 891 891 VAL VAL D . n D 1 13 GLN 13 892 892 GLN GLN D . n D 1 14 ALA 14 893 893 ALA ALA D . n D 1 15 SER 15 894 894 SER SER D . n D 1 16 ILE 16 895 895 ILE ILE D . n D 1 17 LEU 17 896 896 LEU LEU D . n D 1 18 SER 18 897 897 SER SER D . n D 1 19 HIS 19 898 898 HIS HIS D . n D 1 20 ASP 20 899 899 ASP ASP D . n D 1 21 THR 21 900 900 THR THR D . n D 1 22 ILE 22 901 901 ILE ILE D . n D 1 23 ARG 23 902 902 ARG ARG D . n D 1 24 ILE 24 903 903 ILE ILE D . n D 1 25 THR 25 904 904 THR THR D . n D 1 26 TRP 26 905 905 TRP TRP D . n D 1 27 ALA 27 906 906 ALA ALA D . n D 1 28 ASP 28 907 907 ASP ASP D . n D 1 29 ASN 29 908 908 ASN ASN D . n D 1 30 SER 30 909 909 SER SER D . n D 1 31 LEU 31 910 910 LEU LEU D . n D 1 32 PRO 32 911 911 PRO PRO D . n D 1 33 LYS 33 912 912 LYS LYS D . n D 1 34 HIS 34 913 913 HIS HIS D . n D 1 35 GLN 35 914 914 GLN GLN D . n D 1 36 LYS 36 915 915 LYS LYS D . n D 1 37 ILE 37 916 916 ILE ILE D . n D 1 38 THR 38 917 917 THR THR D . n D 1 39 ASP 39 918 918 ASP ASP D . n D 1 40 SER 40 919 919 SER SER D . n D 1 41 ARG 41 920 920 ARG ARG D . n D 1 42 TYR 42 921 921 TYR TYR D . n D 1 43 TYR 43 922 922 TYR TYR D . n D 1 44 THR 44 923 923 THR THR D . n D 1 45 VAL 45 924 924 VAL VAL D . n D 1 46 ARG 46 925 925 ARG ARG D . n D 1 47 TRP 47 926 926 TRP TRP D . n D 1 48 LYS 48 927 927 LYS LYS D . n D 1 49 THR 49 928 928 THR THR D . n D 1 50 ASN 50 929 929 ASN ASN D . n D 1 51 ILE 51 930 930 ILE ILE D . n D 1 52 PRO 52 931 931 PRO PRO D . n D 1 53 ALA 53 932 932 ALA ALA D . n D 1 54 ASN 54 933 933 ASN ASN D . n D 1 55 THR 55 934 934 THR THR D . n D 1 56 LYS 56 935 935 LYS LYS D . n D 1 57 TYR 57 936 936 TYR TYR D . n D 1 58 LYS 58 937 937 LYS LYS D . n D 1 59 ASN 59 938 938 ASN ASN D . n D 1 60 ALA 60 939 939 ALA ALA D . n D 1 61 ASN 61 940 940 ASN ASN D . n D 1 62 ALA 62 941 941 ALA ALA D . n D 1 63 THR 63 942 942 THR THR D . n D 1 64 THR 64 943 943 THR THR D . n D 1 65 LEU 65 944 944 LEU LEU D . n D 1 66 SER 66 945 945 SER SER D . n D 1 67 TYR 67 946 946 TYR TYR D . n D 1 68 LEU 68 947 947 LEU LEU D . n D 1 69 VAL 69 948 948 VAL VAL D . n D 1 70 THR 70 949 949 THR THR D . n D 1 71 GLY 71 950 950 GLY GLY D . n D 1 72 LEU 72 951 951 LEU LEU D . n D 1 73 LYS 73 952 952 LYS LYS D . n D 1 74 PRO 74 953 953 PRO PRO D . n D 1 75 ASN 75 954 954 ASN ASN D . n D 1 76 THR 76 955 955 THR THR D . n D 1 77 LEU 77 956 956 LEU LEU D . n D 1 78 TYR 78 957 957 TYR TYR D . n D 1 79 GLU 79 958 958 GLU GLU D . n D 1 80 PHE 80 959 959 PHE PHE D . n D 1 81 SER 81 960 960 SER SER D . n D 1 82 VAL 82 961 961 VAL VAL D . n D 1 83 MET 83 962 962 MET MET D . n D 1 84 VAL 84 963 963 VAL VAL D . n D 1 85 THR 85 964 964 THR THR D . n D 1 86 LYS 86 965 965 LYS LYS D . n D 1 87 GLY 87 966 966 GLY GLY D . n D 1 88 ARG 88 967 967 ARG ARG D . n D 1 89 ARG 89 968 968 ARG ARG D . n D 1 90 SER 90 969 969 SER SER D . n D 1 91 SER 91 970 970 SER SER D . n D 1 92 THR 92 971 971 THR THR D . n D 1 93 TRP 93 972 972 TRP TRP D . n D 1 94 SER 94 973 973 SER SER D . n D 1 95 MET 95 974 974 MET MET D . n D 1 96 THR 96 975 975 THR THR D . n D 1 97 ALA 97 976 976 ALA ALA D . n D 1 98 HIS 98 977 977 HIS HIS D . n D 1 99 GLY 99 978 978 GLY GLY D . n D 1 100 ALA 100 979 979 ALA ALA D . n D 1 101 THR 101 980 980 THR THR D . n D 1 102 PHE 102 981 981 PHE PHE D . n D 1 103 GLU 103 982 982 GLU GLU D . n D 1 104 LEU 104 983 983 LEU LEU D . n D 1 105 VAL 105 984 984 VAL VAL D . n D 1 106 PRO 106 985 985 PRO PRO D . n D 1 107 THR 107 986 986 THR THR D . n D 1 108 SER 108 987 987 SER SER D . n D 1 109 PRO 109 988 988 PRO PRO D . n D 1 110 PRO 110 989 989 PRO PRO D . n D 1 111 LYS 111 990 990 LYS LYS D . n D 1 112 ASP 112 991 991 ASP ASP D . n D 1 113 VAL 113 992 992 VAL VAL D . n D 1 114 THR 114 993 993 THR THR D . n D 1 115 VAL 115 994 994 VAL VAL D . n D 1 116 VAL 116 995 995 VAL VAL D . n D 1 117 SER 117 996 996 SER SER D . n D 1 118 LYS 118 997 997 LYS LYS D . n D 1 119 GLU 119 998 998 GLU GLU D . n D 1 120 GLY 120 999 999 GLY GLY D . n D 1 121 LYS 121 1000 1000 LYS LYS D . n D 1 122 PRO 122 1001 1001 PRO PRO D . n D 1 123 ARG 123 1002 1002 ARG ARG D . n D 1 124 THR 124 1003 1003 THR THR D . n D 1 125 ILE 125 1004 1004 ILE ILE D . n D 1 126 ILE 126 1005 1005 ILE ILE D . n D 1 127 VAL 127 1006 1006 VAL VAL D . n D 1 128 ASN 128 1007 1007 ASN ASN D . n D 1 129 TRP 129 1008 1008 TRP TRP D . n D 1 130 GLN 130 1009 1009 GLN GLN D . n D 1 131 PRO 131 1010 1010 PRO PRO D . n D 1 132 PRO 132 1011 1011 PRO PRO D . n D 1 133 SER 133 1012 1012 SER SER D . n D 1 134 GLU 134 1013 1013 GLU GLU D . n D 1 135 ALA 135 1014 1014 ALA ALA D . n D 1 136 ASN 136 1015 1015 ASN ASN D . n D 1 137 GLY 137 1016 1016 GLY GLY D . n D 1 138 LYS 138 1017 1017 LYS LYS D . n D 1 139 ILE 139 1018 1018 ILE ILE D . n D 1 140 THR 140 1019 1019 THR THR D . n D 1 141 GLY 141 1020 1020 GLY GLY D . n D 1 142 TYR 142 1021 1021 TYR TYR D . n D 1 143 ILE 143 1022 1022 ILE ILE D . n D 1 144 ILE 144 1023 1023 ILE ILE D . n D 1 145 TYR 145 1024 1024 TYR TYR D . n D 1 146 TYR 146 1025 1025 TYR TYR D . n D 1 147 SER 147 1026 1026 SER SER D . n D 1 148 THR 148 1027 1027 THR THR D . n D 1 149 ASP 149 1028 1028 ASP ASP D . n D 1 150 VAL 150 1029 1029 VAL VAL D . n D 1 151 ASN 151 1030 1030 ASN ASN D . n D 1 152 ALA 152 1031 1031 ALA ALA D . n D 1 153 GLU 153 1032 1032 GLU GLU D . n D 1 154 ILE 154 1033 1033 ILE ILE D . n D 1 155 HIS 155 1034 1034 HIS HIS D . n D 1 156 ASP 156 1035 1035 ASP ASP D . n D 1 157 TRP 157 1036 1036 TRP TRP D . n D 1 158 VAL 158 1037 1037 VAL VAL D . n D 1 159 ILE 159 1038 1038 ILE ILE D . n D 1 160 GLU 160 1039 1039 GLU GLU D . n D 1 161 PRO 161 1040 1040 PRO PRO D . n D 1 162 VAL 162 1041 1041 VAL VAL D . n D 1 163 VAL 163 1042 1042 VAL VAL D . n D 1 164 GLY 164 1043 1043 GLY GLY D . n D 1 165 ASN 165 1044 1044 ASN ASN D . n D 1 166 ARG 166 1045 1045 ARG ARG D . n D 1 167 LEU 167 1046 1046 LEU LEU D . n D 1 168 THR 168 1047 1047 THR THR D . n D 1 169 HIS 169 1048 1048 HIS HIS D . n D 1 170 GLN 170 1049 1049 GLN GLN D . n D 1 171 ILE 171 1050 1050 ILE ILE D . n D 1 172 GLN 172 1051 1051 GLN GLN D . n D 1 173 GLU 173 1052 1052 GLU GLU D . n D 1 174 LEU 174 1053 1053 LEU LEU D . n D 1 175 THR 175 1054 1054 THR THR D . n D 1 176 LEU 176 1055 1055 LEU LEU D . n D 1 177 ASP 177 1056 1056 ASP ASP D . n D 1 178 THR 178 1057 1057 THR THR D . n D 1 179 PRO 179 1058 1058 PRO PRO D . n D 1 180 TYR 180 1059 1059 TYR TYR D . n D 1 181 TYR 181 1060 1060 TYR TYR D . n D 1 182 PHE 182 1061 1061 PHE PHE D . n D 1 183 LYS 183 1062 1062 LYS LYS D . n D 1 184 ILE 184 1063 1063 ILE ILE D . n D 1 185 GLN 185 1064 1064 GLN GLN D . n D 1 186 ALA 186 1065 1065 ALA ALA D . n D 1 187 ARG 187 1066 1066 ARG ARG D . n D 1 188 ASN 188 1067 1067 ASN ASN D . n D 1 189 SER 189 1068 1068 SER SER D . n D 1 190 LYS 190 1069 1069 LYS LYS D . n D 1 191 GLY 191 1070 1070 GLY GLY D . n D 1 192 MET 192 1071 1071 MET MET D . n D 1 193 GLY 193 1072 1072 GLY GLY D . n D 1 194 PRO 194 1073 1073 PRO PRO D . n D 1 195 MET 195 1074 1074 MET MET D . n D 1 196 SER 196 1075 1075 SER SER D . n D 1 197 GLU 197 1076 1076 GLU GLU D . n D 1 198 ALA 198 1077 1077 ALA ALA D . n D 1 199 VAL 199 1078 1078 VAL VAL D . n D 1 200 GLN 200 1079 1079 GLN GLN D . n D 1 201 PHE 201 1080 1080 PHE PHE D . n D 1 202 ARG 202 1081 1081 ARG ARG D . n D 1 203 THR 203 1082 1082 THR THR D . n D 1 204 PRO 204 1083 1083 PRO PRO D . n D 1 205 LYS 205 1084 1084 LYS LYS D . n D 1 206 ALA 206 1085 1085 ALA ALA D . n D 1 207 ASP 207 1086 ? ? ? D . n D 1 208 SER 208 1087 ? ? ? D . n D 1 209 SER 209 1088 ? ? ? D . n D 1 210 ASP 210 1089 ? ? ? D . n D 1 211 LYS 211 1090 ? ? ? D . n D 1 212 MET 212 1091 ? ? ? D . n D 1 213 PRO 213 1092 ? ? ? D . n D 1 214 ASN 214 1093 ? ? ? D . n D 1 215 ASP 215 1094 ? ? ? D . n D 1 216 GLN 216 1095 ? ? ? D . n D 1 217 ALA 217 1096 ? ? ? D . n D 1 218 LEU 218 1097 ? ? ? D . n D 1 219 GLY 219 1098 ? ? ? D . n D 1 220 SER 220 1099 ? ? ? D . n D 1 221 ALA 221 1100 ? ? ? D . n D 1 222 GLY 222 1101 ? ? ? D . n D 1 223 LYS 223 1102 ? ? ? D . n D 1 224 GLY 224 1103 ? ? ? D . n D 1 225 SER 225 1104 ? ? ? D . n D 1 226 ARG 226 1105 ? ? ? D . n D 1 227 LEU 227 1106 ? ? ? D . n D 1 228 PRO 228 1107 ? ? ? D . n D 1 229 ASP 229 1108 ? ? ? D . n D 1 230 LEU 230 1109 ? ? ? D . n D 1 231 GLY 231 1110 ? ? ? D . n D 1 232 SER 232 1111 ? ? ? D . n D 1 233 ASP 233 1112 ? ? ? D . n D 1 234 TYR 234 1113 ? ? ? D . n D 1 235 LYS 235 1114 ? ? ? D . n D 1 236 PRO 236 1115 ? ? ? D . n D 1 237 PRO 237 1116 ? ? ? D . n D 1 238 MET 238 1117 ? ? ? D . n D 1 239 SER 239 1118 ? ? ? D . n D 1 240 GLY 240 1119 ? ? ? D . n D 1 241 SER 241 1120 ? ? ? D . n D 1 242 ASN 242 1121 ? ? ? D . n D 1 243 SER 243 1122 ? ? ? D . n D 1 244 PRO 244 1123 ? ? ? D . n D 1 245 HIS 245 1124 ? ? ? D . n D 1 246 GLY 246 1125 ? ? ? D . n D 1 247 SER 247 1126 ? ? ? D . n D 1 248 PRO 248 1127 ? ? ? D . n D 1 249 THR 249 1128 ? ? ? D . n D 1 250 SER 250 1129 ? ? ? D . n D 1 251 PRO 251 1130 ? ? ? D . n D 1 252 LEU 252 1131 ? ? ? D . n D 1 253 ASP 253 1132 ? ? ? D . n D 1 254 SER 254 1133 ? ? ? D . n D 1 255 ASN 255 1134 ? ? ? D . n D 1 256 GLY 256 1135 ? ? ? D . n D 1 257 THR 257 1136 ? ? ? D . n D 1 258 LYS 258 1137 ? ? ? D . n D 1 259 HIS 259 1138 ? ? ? D . n D 1 260 HIS 260 1139 ? ? ? D . n D 1 261 HIS 261 1140 ? ? ? D . n D 1 262 HIS 262 1141 ? ? ? D . n D 1 263 HIS 263 1142 ? ? ? D . n D 1 264 HIS 264 1143 ? ? ? D . 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 2 NAG 1 2084 2084 NAG NAG A . F 2 NAG 1 2084 2084 NAG NAG B . G 2 NAG 1 2084 2084 NAG NAG C . H 2 NAG 1 2086 2086 NAG NAG D . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 61 A ASN 940 ? ASN 'GLYCOSYLATION SITE' 2 B ASN 61 B ASN 940 ? ASN 'GLYCOSYLATION SITE' 3 C ASN 61 C ASN 940 ? ASN 'GLYCOSYLATION SITE' 4 D ASN 61 D ASN 940 ? ASN 'GLYCOSYLATION SITE' # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_and_software_defined_assembly PISA monomeric 1 2 author_and_software_defined_assembly PISA monomeric 1 3 author_and_software_defined_assembly PISA monomeric 1 4 author_and_software_defined_assembly PISA monomeric 1 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,E 2 1 B,F 3 1 C,G 4 1 D,H # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # 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 2013-06-12 2 'Structure model' 1 1 2013-06-19 3 'Structure model' 1 2 2013-07-17 # _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' 'Database references' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined -11.2410 -6.6352 24.7908 -0.1435 -0.2321 0.0451 0.0223 0.0938 0.1518 3.1791 6.9079 6.5646 0.6326 -2.3084 -0.8382 -0.4413 -0.3231 -1.0596 0.0533 0.1029 0.2161 1.1455 -0.0138 0.3383 'X-RAY DIFFRACTION' 2 ? refined 15.5458 18.1719 1.6114 -0.2313 -0.0337 -0.1764 0.0244 0.0064 0.1120 7.7512 8.0893 8.3455 3.7664 -3.1525 -3.8340 0.1881 -0.3901 0.1367 -0.5610 -0.8611 -0.4808 -0.2670 1.3563 0.6729 'X-RAY DIFFRACTION' 3 ? refined 42.9101 16.4434 24.0164 -0.1563 -0.2399 0.0522 0.0488 -0.0313 -0.0089 5.9071 6.2974 5.5721 2.7226 0.4837 2.1871 0.0246 -0.4385 0.7839 -0.2494 -0.2207 0.5078 -0.7597 -0.2150 0.1961 'X-RAY DIFFRACTION' 4 ? refined 15.2714 -8.5748 1.8021 0.0039 -0.2000 -0.0984 0.0113 -0.0334 -0.0127 7.0131 3.7494 8.0301 2.1710 3.3854 2.7652 0.2211 0.0917 -0.2507 -0.4578 -0.0252 -0.0823 0.6167 -0.4428 -0.1959 'X-RAY DIFFRACTION' 5 ? refined 19.7984 33.6697 18.3476 -0.0269 -0.0049 -0.2656 -0.4263 0.0979 -0.1666 6.9877 9.4652 4.7276 5.6828 -3.8331 -7.0948 0.2324 -0.0737 0.4904 0.2724 -0.0166 0.1528 -0.4964 0.2749 -0.2158 'X-RAY DIFFRACTION' 6 ? refined 2.1590 0.6052 42.5453 -0.3570 0.3528 -0.1817 0.1283 0.0359 0.5052 5.2309 7.1867 5.4403 2.3757 -2.1056 -1.0336 -0.1133 -1.5668 -0.9453 0.8080 -0.1137 0.1509 0.4734 0.8787 0.2270 'X-RAY DIFFRACTION' 7 ? refined 9.0259 -25.2526 18.1518 0.0028 -0.1908 -0.1878 -0.1368 -0.2065 0.1637 6.5915 5.1838 6.5476 3.7234 2.4364 3.2039 0.1285 0.0300 -0.4544 -0.1291 0.2462 -0.3886 0.7393 -0.1771 -0.3747 'X-RAY DIFFRACTION' 8 ? refined 28.5934 7.4115 41.5708 -0.2116 0.1497 -0.0857 0.0818 -0.1416 -0.2126 1.5746 6.7078 6.9216 2.2878 1.0704 4.4139 0.0375 -0.2159 -0.1633 0.4884 0.4980 -0.7633 0.0195 0.2402 -0.5354 # 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.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 ? ? ? ? ? ? ? ? ? '{ A|884 - A|982 }' 'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? '{ A|983 - A|1083 }' 'X-RAY DIFFRACTION' 3 3 ? ? ? ? ? ? ? ? ? '{ B|884 - B|982 }' 'X-RAY DIFFRACTION' 4 4 ? ? ? ? ? ? ? ? ? '{ B|983 - B|1083 }' 'X-RAY DIFFRACTION' 5 5 ? ? ? ? ? ? ? ? ? '{ C|883 - C|982 }' 'X-RAY DIFFRACTION' 6 6 ? ? ? ? ? ? ? ? ? '{ C|983 - C|1083 }' 'X-RAY DIFFRACTION' 7 7 ? ? ? ? ? ? ? ? ? '{ D|884 - D|982 }' 'X-RAY DIFFRACTION' 8 8 ? ? ? ? ? ? ? ? ? '{ D|983 - D|1085 }' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal BUSTER refinement 2.11.2 ? 1 DENZO 'data reduction' . ? 2 SCALEPACK 'data scaling' . ? 3 PHASER phasing . ? 4 # _pdbx_entry_details.entry_id 4BQB _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ;N-ACETYL-D-GLUCOSAMINE (NAG): N-LINKED GLYCOSYLATION OF NEO1 ASN940 ; _pdbx_entry_details.sequence_details ? # 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 944 ? ? -83.54 33.33 2 1 SER A 973 ? ? -65.99 -176.86 3 1 GLU A 1013 ? ? -109.54 66.99 4 1 ASN A 1015 ? ? 57.59 16.86 5 1 LEU B 944 ? ? -82.90 33.86 6 1 SER B 973 ? ? -66.03 -179.08 7 1 GLU B 1013 ? ? -110.02 68.22 8 1 ASN B 1015 ? ? 56.62 17.48 9 1 LEU C 944 ? ? -84.39 33.59 10 1 SER C 973 ? ? -65.47 -177.81 11 1 GLU C 1013 ? ? -109.82 67.55 12 1 ASN C 1015 ? ? 56.42 17.98 13 1 LEU D 944 ? ? -82.61 32.40 14 1 SER D 973 ? ? -66.59 -178.59 15 1 GLU D 1013 ? ? -109.22 67.98 16 1 ASN D 1015 ? ? 55.81 17.80 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A GLN 892 ? NE2 ? A GLN 13 NE2 2 1 Y 1 B GLN 892 ? NE2 ? B GLN 13 NE2 3 1 Y 1 D GLN 892 ? NE2 ? D GLN 13 NE2 # 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 GLU 880 ? A GLU 1 2 1 Y 1 A THR 881 ? A THR 2 3 1 Y 1 A GLY 882 ? A GLY 3 4 1 Y 1 A THR 883 ? A THR 4 5 1 Y 1 A LYS 912 ? A LYS 33 6 1 Y 1 A HIS 913 ? A HIS 34 7 1 Y 1 A GLN 914 ? A GLN 35 8 1 Y 1 A LYS 915 ? A LYS 36 9 1 Y 1 A ILE 916 ? A ILE 37 10 1 Y 1 A LYS 1084 ? A LYS 205 11 1 Y 1 A ALA 1085 ? A ALA 206 12 1 Y 1 A ASP 1086 ? A ASP 207 13 1 Y 1 A SER 1087 ? A SER 208 14 1 Y 1 A SER 1088 ? A SER 209 15 1 Y 1 A ASP 1089 ? A ASP 210 16 1 Y 1 A LYS 1090 ? A LYS 211 17 1 Y 1 A MET 1091 ? A MET 212 18 1 Y 1 A PRO 1092 ? A PRO 213 19 1 Y 1 A ASN 1093 ? A ASN 214 20 1 Y 1 A ASP 1094 ? A ASP 215 21 1 Y 1 A GLN 1095 ? A GLN 216 22 1 Y 1 A ALA 1096 ? A ALA 217 23 1 Y 1 A LEU 1097 ? A LEU 218 24 1 Y 1 A GLY 1098 ? A GLY 219 25 1 Y 1 A SER 1099 ? A SER 220 26 1 Y 1 A ALA 1100 ? A ALA 221 27 1 Y 1 A GLY 1101 ? A GLY 222 28 1 Y 1 A LYS 1102 ? A LYS 223 29 1 Y 1 A GLY 1103 ? A GLY 224 30 1 Y 1 A SER 1104 ? A SER 225 31 1 Y 1 A ARG 1105 ? A ARG 226 32 1 Y 1 A LEU 1106 ? A LEU 227 33 1 Y 1 A PRO 1107 ? A PRO 228 34 1 Y 1 A ASP 1108 ? A ASP 229 35 1 Y 1 A LEU 1109 ? A LEU 230 36 1 Y 1 A GLY 1110 ? A GLY 231 37 1 Y 1 A SER 1111 ? A SER 232 38 1 Y 1 A ASP 1112 ? A ASP 233 39 1 Y 1 A TYR 1113 ? A TYR 234 40 1 Y 1 A LYS 1114 ? A LYS 235 41 1 Y 1 A PRO 1115 ? A PRO 236 42 1 Y 1 A PRO 1116 ? A PRO 237 43 1 Y 1 A MET 1117 ? A MET 238 44 1 Y 1 A SER 1118 ? A SER 239 45 1 Y 1 A GLY 1119 ? A GLY 240 46 1 Y 1 A SER 1120 ? A SER 241 47 1 Y 1 A ASN 1121 ? A ASN 242 48 1 Y 1 A SER 1122 ? A SER 243 49 1 Y 1 A PRO 1123 ? A PRO 244 50 1 Y 1 A HIS 1124 ? A HIS 245 51 1 Y 1 A GLY 1125 ? A GLY 246 52 1 Y 1 A SER 1126 ? A SER 247 53 1 Y 1 A PRO 1127 ? A PRO 248 54 1 Y 1 A THR 1128 ? A THR 249 55 1 Y 1 A SER 1129 ? A SER 250 56 1 Y 1 A PRO 1130 ? A PRO 251 57 1 Y 1 A LEU 1131 ? A LEU 252 58 1 Y 1 A ASP 1132 ? A ASP 253 59 1 Y 1 A SER 1133 ? A SER 254 60 1 Y 1 A ASN 1134 ? A ASN 255 61 1 Y 1 A GLY 1135 ? A GLY 256 62 1 Y 1 A THR 1136 ? A THR 257 63 1 Y 1 A LYS 1137 ? A LYS 258 64 1 Y 1 A HIS 1138 ? A HIS 259 65 1 Y 1 A HIS 1139 ? A HIS 260 66 1 Y 1 A HIS 1140 ? A HIS 261 67 1 Y 1 A HIS 1141 ? A HIS 262 68 1 Y 1 A HIS 1142 ? A HIS 263 69 1 Y 1 A HIS 1143 ? A HIS 264 70 1 Y 1 B GLU 880 ? B GLU 1 71 1 Y 1 B THR 881 ? B THR 2 72 1 Y 1 B GLY 882 ? B GLY 3 73 1 Y 1 B THR 883 ? B THR 4 74 1 Y 1 B LEU 910 ? B LEU 31 75 1 Y 1 B PRO 911 ? B PRO 32 76 1 Y 1 B LYS 912 ? B LYS 33 77 1 Y 1 B HIS 913 ? B HIS 34 78 1 Y 1 B GLN 914 ? B GLN 35 79 1 Y 1 B LYS 1084 ? B LYS 205 80 1 Y 1 B ALA 1085 ? B ALA 206 81 1 Y 1 B ASP 1086 ? B ASP 207 82 1 Y 1 B SER 1087 ? B SER 208 83 1 Y 1 B SER 1088 ? B SER 209 84 1 Y 1 B ASP 1089 ? B ASP 210 85 1 Y 1 B LYS 1090 ? B LYS 211 86 1 Y 1 B MET 1091 ? B MET 212 87 1 Y 1 B PRO 1092 ? B PRO 213 88 1 Y 1 B ASN 1093 ? B ASN 214 89 1 Y 1 B ASP 1094 ? B ASP 215 90 1 Y 1 B GLN 1095 ? B GLN 216 91 1 Y 1 B ALA 1096 ? B ALA 217 92 1 Y 1 B LEU 1097 ? B LEU 218 93 1 Y 1 B GLY 1098 ? B GLY 219 94 1 Y 1 B SER 1099 ? B SER 220 95 1 Y 1 B ALA 1100 ? B ALA 221 96 1 Y 1 B GLY 1101 ? B GLY 222 97 1 Y 1 B LYS 1102 ? B LYS 223 98 1 Y 1 B GLY 1103 ? B GLY 224 99 1 Y 1 B SER 1104 ? B SER 225 100 1 Y 1 B ARG 1105 ? B ARG 226 101 1 Y 1 B LEU 1106 ? B LEU 227 102 1 Y 1 B PRO 1107 ? B PRO 228 103 1 Y 1 B ASP 1108 ? B ASP 229 104 1 Y 1 B LEU 1109 ? B LEU 230 105 1 Y 1 B GLY 1110 ? B GLY 231 106 1 Y 1 B SER 1111 ? B SER 232 107 1 Y 1 B ASP 1112 ? B ASP 233 108 1 Y 1 B TYR 1113 ? B TYR 234 109 1 Y 1 B LYS 1114 ? B LYS 235 110 1 Y 1 B PRO 1115 ? B PRO 236 111 1 Y 1 B PRO 1116 ? B PRO 237 112 1 Y 1 B MET 1117 ? B MET 238 113 1 Y 1 B SER 1118 ? B SER 239 114 1 Y 1 B GLY 1119 ? B GLY 240 115 1 Y 1 B SER 1120 ? B SER 241 116 1 Y 1 B ASN 1121 ? B ASN 242 117 1 Y 1 B SER 1122 ? B SER 243 118 1 Y 1 B PRO 1123 ? B PRO 244 119 1 Y 1 B HIS 1124 ? B HIS 245 120 1 Y 1 B GLY 1125 ? B GLY 246 121 1 Y 1 B SER 1126 ? B SER 247 122 1 Y 1 B PRO 1127 ? B PRO 248 123 1 Y 1 B THR 1128 ? B THR 249 124 1 Y 1 B SER 1129 ? B SER 250 125 1 Y 1 B PRO 1130 ? B PRO 251 126 1 Y 1 B LEU 1131 ? B LEU 252 127 1 Y 1 B ASP 1132 ? B ASP 253 128 1 Y 1 B SER 1133 ? B SER 254 129 1 Y 1 B ASN 1134 ? B ASN 255 130 1 Y 1 B GLY 1135 ? B GLY 256 131 1 Y 1 B THR 1136 ? B THR 257 132 1 Y 1 B LYS 1137 ? B LYS 258 133 1 Y 1 B HIS 1138 ? B HIS 259 134 1 Y 1 B HIS 1139 ? B HIS 260 135 1 Y 1 B HIS 1140 ? B HIS 261 136 1 Y 1 B HIS 1141 ? B HIS 262 137 1 Y 1 B HIS 1142 ? B HIS 263 138 1 Y 1 B HIS 1143 ? B HIS 264 139 1 Y 1 C GLU 880 ? C GLU 1 140 1 Y 1 C THR 881 ? C THR 2 141 1 Y 1 C GLY 882 ? C GLY 3 142 1 Y 1 C PRO 931 ? C PRO 52 143 1 Y 1 C ALA 932 ? C ALA 53 144 1 Y 1 C LYS 1084 ? C LYS 205 145 1 Y 1 C ALA 1085 ? C ALA 206 146 1 Y 1 C ASP 1086 ? C ASP 207 147 1 Y 1 C SER 1087 ? C SER 208 148 1 Y 1 C SER 1088 ? C SER 209 149 1 Y 1 C ASP 1089 ? C ASP 210 150 1 Y 1 C LYS 1090 ? C LYS 211 151 1 Y 1 C MET 1091 ? C MET 212 152 1 Y 1 C PRO 1092 ? C PRO 213 153 1 Y 1 C ASN 1093 ? C ASN 214 154 1 Y 1 C ASP 1094 ? C ASP 215 155 1 Y 1 C GLN 1095 ? C GLN 216 156 1 Y 1 C ALA 1096 ? C ALA 217 157 1 Y 1 C LEU 1097 ? C LEU 218 158 1 Y 1 C GLY 1098 ? C GLY 219 159 1 Y 1 C SER 1099 ? C SER 220 160 1 Y 1 C ALA 1100 ? C ALA 221 161 1 Y 1 C GLY 1101 ? C GLY 222 162 1 Y 1 C LYS 1102 ? C LYS 223 163 1 Y 1 C GLY 1103 ? C GLY 224 164 1 Y 1 C SER 1104 ? C SER 225 165 1 Y 1 C ARG 1105 ? C ARG 226 166 1 Y 1 C LEU 1106 ? C LEU 227 167 1 Y 1 C PRO 1107 ? C PRO 228 168 1 Y 1 C ASP 1108 ? C ASP 229 169 1 Y 1 C LEU 1109 ? C LEU 230 170 1 Y 1 C GLY 1110 ? C GLY 231 171 1 Y 1 C SER 1111 ? C SER 232 172 1 Y 1 C ASP 1112 ? C ASP 233 173 1 Y 1 C TYR 1113 ? C TYR 234 174 1 Y 1 C LYS 1114 ? C LYS 235 175 1 Y 1 C PRO 1115 ? C PRO 236 176 1 Y 1 C PRO 1116 ? C PRO 237 177 1 Y 1 C MET 1117 ? C MET 238 178 1 Y 1 C SER 1118 ? C SER 239 179 1 Y 1 C GLY 1119 ? C GLY 240 180 1 Y 1 C SER 1120 ? C SER 241 181 1 Y 1 C ASN 1121 ? C ASN 242 182 1 Y 1 C SER 1122 ? C SER 243 183 1 Y 1 C PRO 1123 ? C PRO 244 184 1 Y 1 C HIS 1124 ? C HIS 245 185 1 Y 1 C GLY 1125 ? C GLY 246 186 1 Y 1 C SER 1126 ? C SER 247 187 1 Y 1 C PRO 1127 ? C PRO 248 188 1 Y 1 C THR 1128 ? C THR 249 189 1 Y 1 C SER 1129 ? C SER 250 190 1 Y 1 C PRO 1130 ? C PRO 251 191 1 Y 1 C LEU 1131 ? C LEU 252 192 1 Y 1 C ASP 1132 ? C ASP 253 193 1 Y 1 C SER 1133 ? C SER 254 194 1 Y 1 C ASN 1134 ? C ASN 255 195 1 Y 1 C GLY 1135 ? C GLY 256 196 1 Y 1 C THR 1136 ? C THR 257 197 1 Y 1 C LYS 1137 ? C LYS 258 198 1 Y 1 C HIS 1138 ? C HIS 259 199 1 Y 1 C HIS 1139 ? C HIS 260 200 1 Y 1 C HIS 1140 ? C HIS 261 201 1 Y 1 C HIS 1141 ? C HIS 262 202 1 Y 1 C HIS 1142 ? C HIS 263 203 1 Y 1 C HIS 1143 ? C HIS 264 204 1 Y 1 D GLU 880 ? D GLU 1 205 1 Y 1 D THR 881 ? D THR 2 206 1 Y 1 D GLY 882 ? D GLY 3 207 1 Y 1 D ASP 1086 ? D ASP 207 208 1 Y 1 D SER 1087 ? D SER 208 209 1 Y 1 D SER 1088 ? D SER 209 210 1 Y 1 D ASP 1089 ? D ASP 210 211 1 Y 1 D LYS 1090 ? D LYS 211 212 1 Y 1 D MET 1091 ? D MET 212 213 1 Y 1 D PRO 1092 ? D PRO 213 214 1 Y 1 D ASN 1093 ? D ASN 214 215 1 Y 1 D ASP 1094 ? D ASP 215 216 1 Y 1 D GLN 1095 ? D GLN 216 217 1 Y 1 D ALA 1096 ? D ALA 217 218 1 Y 1 D LEU 1097 ? D LEU 218 219 1 Y 1 D GLY 1098 ? D GLY 219 220 1 Y 1 D SER 1099 ? D SER 220 221 1 Y 1 D ALA 1100 ? D ALA 221 222 1 Y 1 D GLY 1101 ? D GLY 222 223 1 Y 1 D LYS 1102 ? D LYS 223 224 1 Y 1 D GLY 1103 ? D GLY 224 225 1 Y 1 D SER 1104 ? D SER 225 226 1 Y 1 D ARG 1105 ? D ARG 226 227 1 Y 1 D LEU 1106 ? D LEU 227 228 1 Y 1 D PRO 1107 ? D PRO 228 229 1 Y 1 D ASP 1108 ? D ASP 229 230 1 Y 1 D LEU 1109 ? D LEU 230 231 1 Y 1 D GLY 1110 ? D GLY 231 232 1 Y 1 D SER 1111 ? D SER 232 233 1 Y 1 D ASP 1112 ? D ASP 233 234 1 Y 1 D TYR 1113 ? D TYR 234 235 1 Y 1 D LYS 1114 ? D LYS 235 236 1 Y 1 D PRO 1115 ? D PRO 236 237 1 Y 1 D PRO 1116 ? D PRO 237 238 1 Y 1 D MET 1117 ? D MET 238 239 1 Y 1 D SER 1118 ? D SER 239 240 1 Y 1 D GLY 1119 ? D GLY 240 241 1 Y 1 D SER 1120 ? D SER 241 242 1 Y 1 D ASN 1121 ? D ASN 242 243 1 Y 1 D SER 1122 ? D SER 243 244 1 Y 1 D PRO 1123 ? D PRO 244 245 1 Y 1 D HIS 1124 ? D HIS 245 246 1 Y 1 D GLY 1125 ? D GLY 246 247 1 Y 1 D SER 1126 ? D SER 247 248 1 Y 1 D PRO 1127 ? D PRO 248 249 1 Y 1 D THR 1128 ? D THR 249 250 1 Y 1 D SER 1129 ? D SER 250 251 1 Y 1 D PRO 1130 ? D PRO 251 252 1 Y 1 D LEU 1131 ? D LEU 252 253 1 Y 1 D ASP 1132 ? D ASP 253 254 1 Y 1 D SER 1133 ? D SER 254 255 1 Y 1 D ASN 1134 ? D ASN 255 256 1 Y 1 D GLY 1135 ? D GLY 256 257 1 Y 1 D THR 1136 ? D THR 257 258 1 Y 1 D LYS 1137 ? D LYS 258 259 1 Y 1 D HIS 1138 ? D HIS 259 260 1 Y 1 D HIS 1139 ? D HIS 260 261 1 Y 1 D HIS 1140 ? D HIS 261 262 1 Y 1 D HIS 1141 ? D HIS 262 263 1 Y 1 D HIS 1142 ? D HIS 263 264 1 Y 1 D HIS 1143 ? D HIS 264 # _pdbx_entity_nonpoly.entity_id 2 _pdbx_entity_nonpoly.name N-ACETYL-D-GLUCOSAMINE _pdbx_entity_nonpoly.comp_id NAG #