data_4FQC # _entry.id 4FQC # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.281 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4FQC RCSB RCSB073222 WWPDB D_1000073222 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 4FQ1 . unspecified PDB 4FQ2 . unspecified PDB 4FQQ . unspecified # _pdbx_database_status.entry_id 4FQC _pdbx_database_status.status_code REL _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.recvd_initial_deposition_date 2012-06-25 _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Scharf, L.' 1 'Bjorkman, P.J.' 2 # _citation.id primary _citation.title 'Complex-type N-glycan recognition by potent broadly neutralizing HIV antibodies.' _citation.journal_abbrev Proc.Natl.Acad.Sci.USA _citation.journal_volume 109 _citation.page_first E3268 _citation.page_last E3277 _citation.year 2012 _citation.journal_id_ASTM PNASA6 _citation.country US _citation.journal_id_ISSN 0027-8424 _citation.journal_id_CSD 0040 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 23115339 _citation.pdbx_database_id_DOI 10.1073/pnas.1217207109 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Mouquet, H.' 1 primary 'Scharf, L.' 2 primary 'Euler, Z.' 3 primary 'Liu, Y.' 4 primary 'Eden, C.' 5 primary 'Scheid, J.F.' 6 primary 'Halper-Stromberg, A.' 7 primary 'Gnanapragasam, P.N.' 8 primary 'Spencer, D.I.' 9 primary 'Seaman, M.S.' 10 primary 'Schuitemaker, H.' 11 primary 'Feizi, T.' 12 primary 'Nussenzweig, M.C.' 13 primary 'Bjorkman, P.J.' 14 # _cell.entry_id 4FQC _cell.length_a 67.787 _cell.length_b 67.787 _cell.length_c 94.115 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 4FQC _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'Fab heavy chain' 26343.484 1 ? ? ? ? 2 polymer man 'Fab light chain' 22602.961 1 ? ? ? ? 3 non-polymer man BETA-D-MANNOSE 180.156 1 ? ? ? ? 4 non-polymer man ALPHA-D-MANNOSE 180.156 2 ? ? ? ? 5 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? 6 non-polymer man BETA-D-GALACTOSE 180.156 1 ? ? ? ? 7 non-polymer man ALPHA-L-FUCOSE 164.156 1 ? ? ? ? 8 non-polymer man 'O-SIALIC ACID' 309.270 1 ? ? ? ? 9 non-polymer syn 'TRIS(HYDROXYETHYL)AMINOMETHANE' 163.215 1 ? ? ? ? 10 water nat water 18.015 146 ? ? ? ? # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;QMQLQESGPGLVKPSETLSLTCSVSGASISDSYWSWIRRSPGKGLEWIGYVHKSGDTNYSPSLKSRVNLSLDTSKNQVSL SLVAATAADSGKYYCARTLHGRRIYGIVAFNEWFTYFYMDVWGNGTQVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCL VKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHH HHHH ; ;QMQLQESGPGLVKPSETLSLTCSVSGASISDSYWSWIRRSPGKGLEWIGYVHKSGDTNYSPSLKSRVNLSLDTSKNQVSL SLVAATAADSGKYYCARTLHGRRIYGIVAFNEWFTYFYMDVWGNGTQVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCL VKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHH HHHH ; H ? 2 'polypeptide(L)' no no ;SDISVAPGETARISCGEKSLGSRAVQWYQHRAGQAPSLIIYNNQDRPSGIPERFSGSPDSPFGTTATLTITSVEAGDEAD YYCHIWDSRVPTKWVFGGGTTLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVET TTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS ; ;SDISVAPGETARISCGEKSLGSRAVQWYQHRAGQAPSLIIYNNQDRPSGIPERFSGSPDSPFGTTATLTITSVEAGDEAD YYCHIWDSRVPTKWVFGGGTTLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVET TTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS ; L ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLN n 1 2 MET n 1 3 GLN n 1 4 LEU n 1 5 GLN n 1 6 GLU n 1 7 SER n 1 8 GLY n 1 9 PRO n 1 10 GLY n 1 11 LEU n 1 12 VAL n 1 13 LYS n 1 14 PRO n 1 15 SER n 1 16 GLU n 1 17 THR n 1 18 LEU n 1 19 SER n 1 20 LEU n 1 21 THR n 1 22 CYS n 1 23 SER n 1 24 VAL n 1 25 SER n 1 26 GLY n 1 27 ALA n 1 28 SER n 1 29 ILE n 1 30 SER n 1 31 ASP n 1 32 SER n 1 33 TYR n 1 34 TRP n 1 35 SER n 1 36 TRP n 1 37 ILE n 1 38 ARG n 1 39 ARG n 1 40 SER n 1 41 PRO n 1 42 GLY n 1 43 LYS n 1 44 GLY n 1 45 LEU n 1 46 GLU n 1 47 TRP n 1 48 ILE n 1 49 GLY n 1 50 TYR n 1 51 VAL n 1 52 HIS n 1 53 LYS n 1 54 SER n 1 55 GLY n 1 56 ASP n 1 57 THR n 1 58 ASN n 1 59 TYR n 1 60 SER n 1 61 PRO n 1 62 SER n 1 63 LEU n 1 64 LYS n 1 65 SER n 1 66 ARG n 1 67 VAL n 1 68 ASN n 1 69 LEU n 1 70 SER n 1 71 LEU n 1 72 ASP n 1 73 THR n 1 74 SER n 1 75 LYS n 1 76 ASN n 1 77 GLN n 1 78 VAL n 1 79 SER n 1 80 LEU n 1 81 SER n 1 82 LEU n 1 83 VAL n 1 84 ALA n 1 85 ALA n 1 86 THR n 1 87 ALA n 1 88 ALA n 1 89 ASP n 1 90 SER n 1 91 GLY n 1 92 LYS n 1 93 TYR n 1 94 TYR n 1 95 CYS n 1 96 ALA n 1 97 ARG n 1 98 THR n 1 99 LEU n 1 100 HIS n 1 101 GLY n 1 102 ARG n 1 103 ARG n 1 104 ILE n 1 105 TYR n 1 106 GLY n 1 107 ILE n 1 108 VAL n 1 109 ALA n 1 110 PHE n 1 111 ASN n 1 112 GLU n 1 113 TRP n 1 114 PHE n 1 115 THR n 1 116 TYR n 1 117 PHE n 1 118 TYR n 1 119 MET n 1 120 ASP n 1 121 VAL n 1 122 TRP n 1 123 GLY n 1 124 ASN n 1 125 GLY n 1 126 THR n 1 127 GLN n 1 128 VAL n 1 129 THR n 1 130 VAL n 1 131 SER n 1 132 SER n 1 133 ALA n 1 134 SER n 1 135 THR n 1 136 LYS n 1 137 GLY n 1 138 PRO n 1 139 SER n 1 140 VAL n 1 141 PHE n 1 142 PRO n 1 143 LEU n 1 144 ALA n 1 145 PRO n 1 146 SER n 1 147 SER n 1 148 LYS n 1 149 SER n 1 150 THR n 1 151 SER n 1 152 GLY n 1 153 GLY n 1 154 THR n 1 155 ALA n 1 156 ALA n 1 157 LEU n 1 158 GLY n 1 159 CYS n 1 160 LEU n 1 161 VAL n 1 162 LYS n 1 163 ASP n 1 164 TYR n 1 165 PHE n 1 166 PRO n 1 167 GLU n 1 168 PRO n 1 169 VAL n 1 170 THR n 1 171 VAL n 1 172 SER n 1 173 TRP n 1 174 ASN n 1 175 SER n 1 176 GLY n 1 177 ALA n 1 178 LEU n 1 179 THR n 1 180 SER n 1 181 GLY n 1 182 VAL n 1 183 HIS n 1 184 THR n 1 185 PHE n 1 186 PRO n 1 187 ALA n 1 188 VAL n 1 189 LEU n 1 190 GLN n 1 191 SER n 1 192 SER n 1 193 GLY n 1 194 LEU n 1 195 TYR n 1 196 SER n 1 197 LEU n 1 198 SER n 1 199 SER n 1 200 VAL n 1 201 VAL n 1 202 THR n 1 203 VAL n 1 204 PRO n 1 205 SER n 1 206 SER n 1 207 SER n 1 208 LEU n 1 209 GLY n 1 210 THR n 1 211 GLN n 1 212 THR n 1 213 TYR n 1 214 ILE n 1 215 CYS n 1 216 ASN n 1 217 VAL n 1 218 ASN n 1 219 HIS n 1 220 LYS n 1 221 PRO n 1 222 SER n 1 223 ASN n 1 224 THR n 1 225 LYS n 1 226 VAL n 1 227 ASP n 1 228 LYS n 1 229 ARG n 1 230 VAL n 1 231 GLU n 1 232 PRO n 1 233 LYS n 1 234 SER n 1 235 CYS n 1 236 ASP n 1 237 LYS n 1 238 THR n 1 239 HIS n 1 240 HIS n 1 241 HIS n 1 242 HIS n 1 243 HIS n 1 244 HIS n 2 1 SER n 2 2 ASP n 2 3 ILE n 2 4 SER n 2 5 VAL n 2 6 ALA n 2 7 PRO n 2 8 GLY n 2 9 GLU n 2 10 THR n 2 11 ALA n 2 12 ARG n 2 13 ILE n 2 14 SER n 2 15 CYS n 2 16 GLY n 2 17 GLU n 2 18 LYS n 2 19 SER n 2 20 LEU n 2 21 GLY n 2 22 SER n 2 23 ARG n 2 24 ALA n 2 25 VAL n 2 26 GLN n 2 27 TRP n 2 28 TYR n 2 29 GLN n 2 30 HIS n 2 31 ARG n 2 32 ALA n 2 33 GLY n 2 34 GLN n 2 35 ALA n 2 36 PRO n 2 37 SER n 2 38 LEU n 2 39 ILE n 2 40 ILE n 2 41 TYR n 2 42 ASN n 2 43 ASN n 2 44 GLN n 2 45 ASP n 2 46 ARG n 2 47 PRO n 2 48 SER n 2 49 GLY n 2 50 ILE n 2 51 PRO n 2 52 GLU n 2 53 ARG n 2 54 PHE n 2 55 SER n 2 56 GLY n 2 57 SER n 2 58 PRO n 2 59 ASP n 2 60 SER n 2 61 PRO n 2 62 PHE n 2 63 GLY n 2 64 THR n 2 65 THR n 2 66 ALA n 2 67 THR n 2 68 LEU n 2 69 THR n 2 70 ILE n 2 71 THR n 2 72 SER n 2 73 VAL n 2 74 GLU n 2 75 ALA n 2 76 GLY n 2 77 ASP n 2 78 GLU n 2 79 ALA n 2 80 ASP n 2 81 TYR n 2 82 TYR n 2 83 CYS n 2 84 HIS n 2 85 ILE n 2 86 TRP n 2 87 ASP n 2 88 SER n 2 89 ARG n 2 90 VAL n 2 91 PRO n 2 92 THR n 2 93 LYS n 2 94 TRP n 2 95 VAL n 2 96 PHE n 2 97 GLY n 2 98 GLY n 2 99 GLY n 2 100 THR n 2 101 THR n 2 102 LEU n 2 103 THR n 2 104 VAL n 2 105 LEU n 2 106 GLY n 2 107 GLN n 2 108 PRO n 2 109 LYS n 2 110 ALA n 2 111 ALA n 2 112 PRO n 2 113 SER n 2 114 VAL n 2 115 THR n 2 116 LEU n 2 117 PHE n 2 118 PRO n 2 119 PRO n 2 120 SER n 2 121 SER n 2 122 GLU n 2 123 GLU n 2 124 LEU n 2 125 GLN n 2 126 ALA n 2 127 ASN n 2 128 LYS n 2 129 ALA n 2 130 THR n 2 131 LEU n 2 132 VAL n 2 133 CYS n 2 134 LEU n 2 135 ILE n 2 136 SER n 2 137 ASP n 2 138 PHE n 2 139 TYR n 2 140 PRO n 2 141 GLY n 2 142 ALA n 2 143 VAL n 2 144 THR n 2 145 VAL n 2 146 ALA n 2 147 TRP n 2 148 LYS n 2 149 ALA n 2 150 ASP n 2 151 SER n 2 152 SER n 2 153 PRO n 2 154 VAL n 2 155 LYS n 2 156 ALA n 2 157 GLY n 2 158 VAL n 2 159 GLU n 2 160 THR n 2 161 THR n 2 162 THR n 2 163 PRO n 2 164 SER n 2 165 LYS n 2 166 GLN n 2 167 SER n 2 168 ASN n 2 169 ASN n 2 170 LYS n 2 171 TYR n 2 172 ALA n 2 173 ALA n 2 174 SER n 2 175 SER n 2 176 TYR n 2 177 LEU n 2 178 SER n 2 179 LEU n 2 180 THR n 2 181 PRO n 2 182 GLU n 2 183 GLN n 2 184 TRP n 2 185 LYS n 2 186 SER n 2 187 HIS n 2 188 ARG n 2 189 SER n 2 190 TYR n 2 191 SER n 2 192 CYS n 2 193 GLN n 2 194 VAL n 2 195 THR n 2 196 HIS n 2 197 GLU n 2 198 GLY n 2 199 SER n 2 200 THR n 2 201 VAL n 2 202 GLU n 2 203 LYS n 2 204 THR n 2 205 VAL n 2 206 ALA n 2 207 PRO n 2 208 THR n 2 209 GLU n 2 210 CYS n 2 211 SER n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_gen.gene_src_common_name _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _entity_src_gen.gene_src_species _entity_src_gen.gene_src_strain _entity_src_gen.gene_src_tissue _entity_src_gen.gene_src_tissue_fraction _entity_src_gen.gene_src_details _entity_src_gen.pdbx_gene_src_fragment _entity_src_gen.pdbx_gene_src_scientific_name _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_gene_src_variant _entity_src_gen.pdbx_gene_src_cell_line _entity_src_gen.pdbx_gene_src_atcc _entity_src_gen.pdbx_gene_src_organ _entity_src_gen.pdbx_gene_src_organelle _entity_src_gen.pdbx_gene_src_cell _entity_src_gen.pdbx_gene_src_cellular_location _entity_src_gen.host_org_common_name _entity_src_gen.pdbx_host_org_scientific_name _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_gen.host_org_genus _entity_src_gen.pdbx_host_org_gene _entity_src_gen.pdbx_host_org_organ _entity_src_gen.host_org_species _entity_src_gen.pdbx_host_org_tissue _entity_src_gen.pdbx_host_org_tissue_fraction _entity_src_gen.pdbx_host_org_strain _entity_src_gen.pdbx_host_org_variant _entity_src_gen.pdbx_host_org_cell_line _entity_src_gen.pdbx_host_org_atcc _entity_src_gen.pdbx_host_org_culture_collection _entity_src_gen.pdbx_host_org_cell _entity_src_gen.pdbx_host_org_organelle _entity_src_gen.pdbx_host_org_cellular_location _entity_src_gen.pdbx_host_org_vector_type _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 1 1 sample ? ? ? ? ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? HEK293-6E ? ? ? ? ? ? ? plasmid ? ? ? ? ? ? 2 1 sample ? ? ? ? ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'homo sapiens' 9606 ? ? ? ? ? ? HEK293-6E ? ? ? ? ? ? ? plasmid ? ? ? ? ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.entity_id _struct_ref.pdbx_align_begin _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_db_isoform 1 PDB 4FQC 4FQC 1 1 ;QMQLQESGPGLVKPSETLSLTCSVSGASISDSYWSWIRRSPGKGLEWIGYVHKSGDTNYSPSLKSRVNLSLDTSKNQVSL SLVAATAADSGKYYCARTLHGRRIYGIVAFNEWFTYFYMDVWGNGTQVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCL VKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHH HHHH ; ? 2 PDB 4FQC 4FQC 2 1 ;SDISVAPGETARISCGEKSLGSRAVQWYQHRAGQAPSLIIYNNQDRPSGIPERFSGSPDSPFGTTATLTITSVEAGDEAD YYCHIWDSRVPTKWVFGGGTTLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVET TTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS ; ? # 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 4FQC H 1 ? 243 ? 4FQC 1 ? 224 ? 1 224 2 2 4FQC L 1 ? 211 ? 4FQC 9 ? 213 ? 9 213 # 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 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FUC saccharide . ALPHA-L-FUCOSE ? 'C6 H12 O5' 164.156 GAL D-saccharide . BETA-D-GALACTOSE ? 'C6 H12 O6' 180.156 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 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 SIA non-polymer . 'O-SIALIC ACID' ? 'C11 H19 N O9' 309.270 TAM non-polymer . 'TRIS(HYDROXYETHYL)AMINOMETHANE' ? 'C7 H17 N O3' 163.215 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 4FQC _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.21 _exptl_crystal.density_percent_sol 44.32 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 5.5 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details 'PEG 10000, Bis Tris HCl, CH3COOHNH4, pH 5.5, vapor diffusion, temperature 298K' # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector PIXEL _diffrn_detector.type 'DECTRIS PILATUS 6M' _diffrn_detector.pdbx_collection_date 2012-03-09 _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 'LIQUID NITROGEN-COOLED DOUBLE CRYSTAL' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.033 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'SSRL BEAMLINE BL12-2' _diffrn_source.pdbx_synchrotron_site SSRL _diffrn_source.pdbx_synchrotron_beamline BL12-2 _diffrn_source.pdbx_wavelength 1.033 _diffrn_source.pdbx_wavelength_list ? # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 4FQC _reflns.observed_criterion_sigma_I -3.000 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 38.656 _reflns.d_resolution_high 2.209 _reflns.number_obs 20621 _reflns.number_all ? _reflns.percent_possible_obs 92.2 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.16100 _reflns.pdbx_netI_over_sigmaI 8.7000 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 5.300 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 2.21 _reflns_shell.d_res_low 2.33 _reflns_shell.percent_possible_all 65.4 _reflns_shell.Rmerge_I_obs 0.69100 _reflns_shell.pdbx_Rsym_value 0.69100 _reflns_shell.meanI_over_sigI_obs 1.100 _reflns_shell.pdbx_redundancy 4.60 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 4FQC _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 16831 _refine.ls_number_reflns_all 17535 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.35 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 38.656 _refine.ls_d_res_high 2.400 _refine.ls_percent_reflns_obs 95.99 _refine.ls_R_factor_obs 0.2031 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.2010 _refine.ls_R_factor_R_free 0.2490 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 4.96 _refine.ls_number_reflns_R_free 834 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min 0.000 _refine.occupancy_max 1.000 _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean 32.26 _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.32 _refine.pdbx_overall_phase_error 24.93 _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3271 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 141 _refine_hist.number_atoms_solvent 146 _refine_hist.number_atoms_total 3558 _refine_hist.d_res_high 2.400 _refine_hist.d_res_low 38.656 # 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 f_bond_d 0.006 ? ? 3497 'X-RAY DIFFRACTION' ? f_angle_d 0.949 ? ? 4771 'X-RAY DIFFRACTION' ? f_dihedral_angle_d 12.942 ? ? 1269 'X-RAY DIFFRACTION' ? f_chiral_restr 0.053 ? ? 559 'X-RAY DIFFRACTION' ? f_plane_restr 0.005 ? ? 590 'X-RAY DIFFRACTION' ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_all _refine_ls_shell.R_factor_all _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.number_reflns_obs 'X-RAY DIFFRACTION' . 2.4001 2.5505 2686 0.2564 99.00 0.3508 . . 145 . . . . 'X-RAY DIFFRACTION' . 2.5505 2.7474 2704 0.2497 98.00 0.3350 . . 141 . . . . 'X-RAY DIFFRACTION' . 2.7474 3.0237 2695 0.2317 99.00 0.2810 . . 140 . . . . 'X-RAY DIFFRACTION' . 3.0237 3.4610 2634 0.2090 96.00 0.2413 . . 139 . . . . 'X-RAY DIFFRACTION' . 3.4610 4.3596 2621 0.1707 93.00 0.2228 . . 131 . . . . 'X-RAY DIFFRACTION' . 4.3596 38.6611 2657 0.1760 91.00 0.1808 . . 138 . . . . # _pdbx_refine.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine.entry_id 4FQC _pdbx_refine.R_factor_all_no_cutoff ? _pdbx_refine.R_factor_obs_no_cutoff ? _pdbx_refine.free_R_factor_no_cutoff ? _pdbx_refine.free_R_error_no_cutoff ? _pdbx_refine.free_R_val_test_set_size_perc_no_cutoff ? _pdbx_refine.free_R_val_test_set_ct_no_cutoff ? _pdbx_refine.R_factor_all_4sig_cutoff ? _pdbx_refine.R_factor_obs_4sig_cutoff ? _pdbx_refine.free_R_factor_4sig_cutoff ? _pdbx_refine.free_R_val_test_set_size_perc_4sig_cutoff ? _pdbx_refine.free_R_val_test_set_ct_4sig_cutoff ? _pdbx_refine.number_reflns_obs_4sig_cutoff ? # _struct.entry_id 4FQC _struct.title 'Crystal Structure of PGT121 Fab Bound to a complex-type sialylated N-glycan' _struct.pdbx_descriptor 'Fab heavy chain, Fab light chain' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4FQC _struct_keywords.text 'IG FOLD, ANTI HIV, ANTIBODY, IMMUNE SYSTEM' _struct_keywords.pdbx_keywords 'IMMUNE SYSTEM' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? E N N 4 ? F N N 5 ? G N N 5 ? H N N 5 ? I N N 5 ? J N N 6 ? K N N 7 ? L N N 8 ? M N N 9 ? N N N 10 ? O N N 10 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 SER A 28 ? SER A 32 ? SER H 28 SER H 32 5 ? 5 HELX_P HELX_P2 2 THR A 86 ? SER A 90 ? THR H 83 SER H 87 5 ? 5 HELX_P HELX_P3 3 ILE A 107 D ASN A 111 H ILE H 100 ASN H 100 5 ? 5 HELX_P HELX_P4 4 SER A 175 ? ALA A 177 ? SER H 156 ALA H 158 5 ? 3 HELX_P HELX_P5 5 SER A 206 ? GLN A 211 ? SER H 187 GLN H 192 1 ? 6 HELX_P HELX_P6 6 LYS A 220 ? ASN A 223 ? LYS H 201 ASN H 204 5 ? 4 HELX_P HELX_P7 7 GLU B 74 ? GLU B 78 ? GLU L 79 GLU L 83 5 ? 5 HELX_P HELX_P8 8 SER B 120 ? ALA B 126 ? SER L 122 ALA L 128 1 ? 7 HELX_P HELX_P9 9 THR B 180 ? HIS B 187 ? THR L 182 HIS L 189 1 ? 8 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 22 SG ? ? ? 1_555 A CYS 95 SG ? ? H CYS 22 H CYS 92 1_555 ? ? ? ? ? ? ? 2.037 ? disulf2 disulf ? ? A CYS 159 SG ? ? ? 1_555 A CYS 215 SG ? ? H CYS 140 H CYS 196 1_555 ? ? ? ? ? ? ? 2.029 ? disulf3 disulf ? ? B CYS 15 SG ? ? ? 1_555 B CYS 83 SG ? ? L CYS 23 L CYS 88 1_555 ? ? ? ? ? ? ? 2.033 ? disulf4 disulf ? ? B CYS 133 SG ? ? ? 1_555 B CYS 192 SG ? ? L CYS 135 L CYS 194 1_555 ? ? ? ? ? ? ? 2.029 ? covale1 covale ? ? G NAG . O4 ? ? ? 1_555 H NAG . C1 ? ? H NAG 305 H NAG 306 1_555 ? ? ? ? ? ? ? 1.475 ? covale2 covale ? ? C BMA . O6 ? ? ? 1_555 E MAN . C1 ? ? H BMA 301 H MAN 303 1_555 ? ? ? ? ? ? ? 1.434 ? covale3 covale ? ? E MAN . O2 ? ? ? 1_555 F NAG . C1 ? ? H MAN 303 H NAG 304 1_555 ? ? ? ? ? ? ? 1.436 ? covale4 covale ? ? C BMA . O3 ? ? ? 1_555 D MAN . C1 ? ? H BMA 301 H MAN 302 1_555 ? ? ? ? ? ? ? 1.356 ? covale5 covale ? ? C BMA . C1 ? ? ? 1_555 H NAG . O4 ? ? H BMA 301 H NAG 306 1_555 ? ? ? ? ? ? ? 1.388 ? covale6 covale ? ? I NAG . O4 ? ? ? 1_555 J GAL . C1 ? ? H NAG 307 H GAL 308 1_555 ? ? ? ? ? ? ? 1.364 ? covale7 covale ? ? A ASN 124 ND2 ? ? ? 1_555 G NAG . C1 ? ? H ASN 105 H NAG 305 1_555 ? ? ? ? ? ? ? 1.267 ? covale8 covale ? ? D MAN . O2 ? ? ? 1_555 I NAG . C1 ? ? H MAN 302 H NAG 307 1_555 ? ? ? ? ? ? ? 1.422 ? covale9 covale ? ? G NAG . O6 ? ? ? 1_555 K FUC . C1 ? ? H NAG 305 H FUC 309 1_555 ? ? ? ? ? ? ? 1.419 ? covale10 covale ? ? J GAL . O6 ? ? ? 1_555 L SIA . C2 ? ? H GAL 308 H SIA 310 1_555 ? ? ? ? ? ? ? 1.285 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 PHE 165 A . ? PHE 146 H PRO 166 A ? PRO 147 H 1 0.15 2 GLU 167 A . ? GLU 148 H PRO 168 A ? PRO 149 H 1 -3.12 3 SER 60 B . B SER 66 L PRO 61 B C PRO 66 L 1 -1.05 4 TYR 139 B . ? TYR 141 L PRO 140 B ? PRO 142 L 1 1.48 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 4 ? B ? 5 ? C ? 5 ? D ? 4 ? E ? 4 ? G ? 5 ? H ? 3 ? I ? 4 ? J ? 4 ? K ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel B 4 5 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel C 4 5 ? anti-parallel G 1 2 ? parallel G 2 3 ? anti-parallel G 3 4 ? anti-parallel G 4 5 ? anti-parallel H 1 2 ? anti-parallel H 2 3 ? anti-parallel I 1 2 ? anti-parallel I 2 3 ? anti-parallel I 3 4 ? anti-parallel J 1 2 ? anti-parallel J 2 3 ? anti-parallel J 3 4 ? anti-parallel K 1 2 ? anti-parallel K 2 3 ? anti-parallel K 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 GLN A 3 ? SER A 7 ? GLN H 3 SER H 7 A 2 LEU A 18 ? SER A 25 ? LEU H 18 SER H 25 A 3 GLN A 77 ? LEU A 82 ? GLN H 77 LEU H 82 A 4 VAL A 67 ? ASP A 72 ? VAL H 67 ASP H 72 B 1 ASN A 58 ? TYR A 59 ? ASN H 58 TYR H 59 B 2 LEU A 45 ? VAL A 51 ? LEU H 45 VAL H 51 B 3 TYR A 33 ? ARG A 39 ? TYR H 33 ARG H 39 B 4 GLY A 91 ? ILE A 104 A GLY H 88 ILE H 100 B 5 TRP A 113 J TRP A 122 ? TRP H 100 TRP H 103 C 1 ASN A 58 ? TYR A 59 ? ASN H 58 TYR H 59 C 2 LEU A 45 ? VAL A 51 ? LEU H 45 VAL H 51 C 3 TYR A 33 ? ARG A 39 ? TYR H 33 ARG H 39 C 4 GLY A 91 ? ILE A 104 A GLY H 88 ILE H 100 C 5 THR A 126 ? VAL A 128 ? THR H 107 VAL H 109 D 1 SER A 139 ? LEU A 143 ? SER H 120 LEU H 124 E 1 SER A 139 ? LEU A 143 ? SER H 120 LEU H 124 G 1 ILE B 3 ? VAL B 5 ? ILE L 11 VAL L 13 G 2 GLY B 97 ? VAL B 104 ? GLY L 99 VAL L 106 G 3 ASP B 80 ? HIS B 84 ? ASP L 85 HIS L 89 G 4 GLN B 26 ? HIS B 30 ? GLN L 34 HIS L 38 G 5 SER B 37 ? ILE B 40 ? SER L 45 ILE L 48 H 1 ALA B 11 ? CYS B 15 ? ALA L 19 CYS L 23 H 2 ALA B 66 ? ILE B 70 ? ALA L 71 ILE L 75 H 3 PHE B 54 ? GLY B 56 ? PHE L 62 GLY L 64 I 1 SER B 113 ? PHE B 117 ? SER L 115 PHE L 119 I 2 ALA B 129 ? PHE B 138 ? ALA L 131 PHE L 140 I 3 TYR B 171 ? LEU B 179 ? TYR L 173 LEU L 181 I 4 VAL B 158 ? THR B 160 ? VAL L 160 THR L 162 J 1 SER B 113 ? PHE B 117 ? SER L 115 PHE L 119 J 2 ALA B 129 ? PHE B 138 ? ALA L 131 PHE L 140 J 3 TYR B 171 ? LEU B 179 ? TYR L 173 LEU L 181 J 4 SER B 164 ? LYS B 165 ? SER L 166 LYS L 167 K 1 SER B 152 ? VAL B 154 ? SER L 154 VAL L 156 K 2 THR B 144 ? ALA B 149 ? THR L 146 ALA L 151 K 3 TYR B 190 ? HIS B 196 ? TYR L 192 HIS L 198 K 4 SER B 199 ? VAL B 205 ? SER L 201 VAL L 207 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N GLN A 3 ? N GLN H 3 O SER A 25 ? O SER H 25 A 2 3 N LEU A 18 ? N LEU H 18 O LEU A 82 ? O LEU H 82 A 3 4 O SER A 79 ? O SER H 79 N SER A 70 ? N SER H 70 B 1 2 O ASN A 58 ? O ASN H 58 N TYR A 50 ? N TYR H 50 B 2 3 O GLU A 46 ? O GLU H 46 N ARG A 38 ? N ARG H 38 B 3 4 N ILE A 37 ? N ILE H 37 O TYR A 94 ? O TYR H 91 B 4 5 N LEU A 99 ? N LEU H 96 O TYR A 118 O O TYR H 100 C 1 2 O ASN A 58 ? O ASN H 58 N TYR A 50 ? N TYR H 50 C 2 3 O GLU A 46 ? O GLU H 46 N ARG A 38 ? N ARG H 38 C 3 4 N ILE A 37 ? N ILE H 37 O TYR A 94 ? O TYR H 91 C 4 5 N GLY A 91 ? N GLY H 88 O VAL A 128 ? O VAL H 109 G 1 2 N ILE B 3 ? N ILE L 11 O THR B 103 ? O THR L 105 G 2 3 O THR B 100 ? O THR L 102 N TYR B 81 ? N TYR L 86 G 3 4 O TYR B 82 ? O TYR L 87 N TYR B 28 ? N TYR L 36 G 4 5 N TRP B 27 ? N TRP L 35 O ILE B 40 ? O ILE L 48 H 1 2 N ALA B 11 ? N ALA L 19 O ILE B 70 ? O ILE L 75 H 2 3 O THR B 69 ? O THR L 74 N SER B 55 ? N SER L 63 I 1 2 N THR B 115 ? N THR L 117 O LEU B 134 ? O LEU L 136 I 2 3 N ILE B 135 ? N ILE L 137 O ALA B 173 ? O ALA L 175 I 3 4 O TYR B 176 ? O TYR L 178 N GLU B 159 ? N GLU L 161 J 1 2 N THR B 115 ? N THR L 117 O LEU B 134 ? O LEU L 136 J 2 3 N ILE B 135 ? N ILE L 137 O ALA B 173 ? O ALA L 175 J 3 4 O ALA B 172 ? O ALA L 174 N SER B 164 ? N SER L 166 K 1 2 O SER B 152 ? O SER L 154 N ALA B 149 ? N ALA L 151 K 2 3 N ALA B 146 ? N ALA L 148 O GLN B 193 ? O GLN L 195 K 3 4 N VAL B 194 ? N VAL L 196 O VAL B 201 ? O VAL L 203 # 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 ? ? ? ? 8 'BINDING SITE FOR RESIDUE BMA H 301' AC2 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE MAN H 302' AC3 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE MAN H 303' AC4 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG H 304' AC5 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG H 305' AC6 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NAG H 306' AC7 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NAG H 307' AC8 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE GAL H 308' AC9 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE FUC H 309' BC1 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE SIA H 310' BC2 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE TAM H 311' # 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 8 GLY A 55 ? GLY H 55 . ? 3_444 ? 2 AC1 8 ASP A 56 ? ASP H 56 . ? 3_444 ? 3 AC1 8 MAN D . ? MAN H 302 . ? 1_555 ? 4 AC1 8 MAN E . ? MAN H 303 . ? 1_555 ? 5 AC1 8 NAG H . ? NAG H 306 . ? 1_555 ? 6 AC1 8 HOH N . ? HOH H 410 . ? 1_555 ? 7 AC1 8 HOH N . ? HOH H 420 . ? 1_555 ? 8 AC1 8 HOH N . ? HOH H 477 . ? 1_555 ? 9 AC2 8 ARG A 102 ? ARG H 99 . ? 3_444 ? 10 AC2 8 TRP A 113 J TRP H 100 . ? 3_444 ? 11 AC2 8 THR A 115 L THR H 100 . ? 3_444 ? 12 AC2 8 BMA C . ? BMA H 301 . ? 1_555 ? 13 AC2 8 NAG H . ? NAG H 306 . ? 1_555 ? 14 AC2 8 NAG I . ? NAG H 307 . ? 1_555 ? 15 AC2 8 HOH N . ? HOH H 446 . ? 3_444 ? 16 AC2 8 HOH N . ? HOH H 447 . ? 1_555 ? 17 AC3 6 THR A 57 ? THR H 57 . ? 3_444 ? 18 AC3 6 ASN A 58 ? ASN H 58 . ? 3_444 ? 19 AC3 6 BMA C . ? BMA H 301 . ? 1_555 ? 20 AC3 6 NAG F . ? NAG H 304 . ? 1_555 ? 21 AC3 6 NAG H . ? NAG H 306 . ? 1_555 ? 22 AC3 6 FUC K . ? FUC H 309 . ? 1_555 ? 23 AC4 4 THR A 57 ? THR H 57 . ? 3_444 ? 24 AC4 4 TYR A 59 ? TYR H 59 . ? 3_444 ? 25 AC4 4 MAN E . ? MAN H 303 . ? 1_555 ? 26 AC4 4 HOH N . ? HOH H 463 . ? 1_555 ? 27 AC5 4 GLN A 5 ? GLN H 5 . ? 1_555 ? 28 AC5 4 ASN A 124 ? ASN H 105 . ? 1_555 ? 29 AC5 4 NAG H . ? NAG H 306 . ? 1_555 ? 30 AC5 4 FUC K . ? FUC H 309 . ? 1_555 ? 31 AC6 7 ASN A 58 ? ASN H 58 . ? 3_444 ? 32 AC6 7 BMA C . ? BMA H 301 . ? 1_555 ? 33 AC6 7 MAN D . ? MAN H 302 . ? 1_555 ? 34 AC6 7 MAN E . ? MAN H 303 . ? 1_555 ? 35 AC6 7 NAG G . ? NAG H 305 . ? 1_555 ? 36 AC6 7 HOH N . ? HOH H 477 . ? 1_555 ? 37 AC6 7 HOH N . ? HOH H 481 . ? 1_555 ? 38 AC7 7 TYR A 33 ? TYR H 33 . ? 3_444 ? 39 AC7 7 HIS A 52 ? HIS H 52 . ? 3_444 ? 40 AC7 7 HIS A 100 ? HIS H 97 . ? 3_444 ? 41 AC7 7 MAN D . ? MAN H 302 . ? 1_555 ? 42 AC7 7 GAL J . ? GAL H 308 . ? 1_555 ? 43 AC7 7 HOH N . ? HOH H 411 . ? 3_444 ? 44 AC7 7 HOH O . ? HOH L 464 . ? 1_555 ? 45 AC8 5 LYS A 53 ? LYS H 53 . ? 3_444 ? 46 AC8 5 NAG I . ? NAG H 307 . ? 1_555 ? 47 AC8 5 SIA L . ? SIA H 310 . ? 1_555 ? 48 AC8 5 HOH O . ? HOH L 435 . ? 1_555 ? 49 AC8 5 HOH O . ? HOH L 461 . ? 1_555 ? 50 AC9 4 MAN E . ? MAN H 303 . ? 1_555 ? 51 AC9 4 NAG G . ? NAG H 305 . ? 1_555 ? 52 AC9 4 HOH N . ? HOH H 471 . ? 1_555 ? 53 AC9 4 GLY B 33 ? GLY L 41 . ? 1_555 ? 54 BC1 5 ASP A 31 ? ASP H 31 . ? 3_444 ? 55 BC1 5 LEU A 99 ? LEU H 96 . ? 3_444 ? 56 BC1 5 HIS A 100 ? HIS H 97 . ? 3_444 ? 57 BC1 5 TYR A 118 O TYR H 100 . ? 3_444 ? 58 BC1 5 GAL J . ? GAL H 308 . ? 1_555 ? 59 BC2 9 TYR A 164 ? TYR H 145 . ? 1_555 ? 60 BC2 9 GLU A 167 ? GLU H 148 . ? 1_555 ? 61 BC2 9 PRO A 168 ? PRO H 149 . ? 1_555 ? 62 BC2 9 VAL A 169 ? VAL H 150 . ? 1_555 ? 63 BC2 9 THR A 184 ? THR H 165 . ? 1_555 ? 64 BC2 9 PHE A 185 ? PHE H 166 . ? 1_555 ? 65 BC2 9 PRO A 186 ? PRO H 167 . ? 1_555 ? 66 BC2 9 ALA A 187 ? ALA H 168 . ? 1_555 ? 67 BC2 9 LEU A 197 ? LEU H 178 . ? 1_555 ? # _atom_sites.entry_id 4FQC _atom_sites.fract_transf_matrix[1][1] 0.014752 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.014752 _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] 0.010625 _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 . GLN A 1 1 ? -41.890 -14.780 -21.349 1.00 35.16 ? 1 GLN H N 1 ATOM 2 C CA . GLN A 1 1 ? -40.908 -13.731 -21.132 1.00 57.83 ? 1 GLN H CA 1 ATOM 3 C C . GLN A 1 1 ? -40.194 -13.344 -22.428 1.00 61.97 ? 1 GLN H C 1 ATOM 4 O O . GLN A 1 1 ? -40.260 -14.073 -23.408 1.00 70.79 ? 1 GLN H O 1 ATOM 5 C CB . GLN A 1 1 ? -39.885 -14.169 -20.083 1.00 53.68 ? 1 GLN H CB 1 ATOM 6 C CG . GLN A 1 1 ? -38.901 -13.083 -19.682 0.00 47.69 ? 1 GLN H CG 1 ATOM 7 C CD . GLN A 1 1 ? -38.015 -13.495 -18.525 0.00 45.63 ? 1 GLN H CD 1 ATOM 8 O OE1 . GLN A 1 1 ? -37.104 -12.762 -18.140 0.00 43.21 ? 1 GLN H OE1 1 ATOM 9 N NE2 . GLN A 1 1 ? -38.280 -14.672 -17.965 0.00 47.21 ? 1 GLN H NE2 1 ATOM 10 N N . MET A 1 2 ? -39.537 -12.198 -22.478 1.00 50.43 ? 2 MET H N 1 ATOM 11 C CA . MET A 1 2 ? -38.881 -11.842 -23.726 1.00 36.25 ? 2 MET H CA 1 ATOM 12 C C . MET A 1 2 ? -37.402 -11.733 -23.536 1.00 35.10 ? 2 MET H C 1 ATOM 13 O O . MET A 1 2 ? -36.987 -11.359 -22.509 1.00 42.01 ? 2 MET H O 1 ATOM 14 C CB . MET A 1 2 ? -39.497 -10.579 -24.346 1.00 33.78 ? 2 MET H CB 1 ATOM 15 C CG . MET A 1 2 ? -38.954 -9.251 -23.889 1.00 27.14 ? 2 MET H CG 1 ATOM 16 S SD . MET A 1 2 ? -39.512 -7.900 -24.874 1.00 50.72 ? 2 MET H SD 1 ATOM 17 C CE . MET A 1 2 ? -41.194 -7.721 -24.391 1.00 46.79 ? 2 MET H CE 1 ATOM 18 N N . GLN A 1 3 ? -36.597 -12.069 -24.522 1.00 27.05 ? 3 GLN H N 1 ATOM 19 C CA . GLN A 1 3 ? -35.161 -11.912 -24.366 1.00 30.10 ? 3 GLN H CA 1 ATOM 20 C C . GLN A 1 3 ? -34.568 -10.982 -25.371 1.00 26.26 ? 3 GLN H C 1 ATOM 21 O O . GLN A 1 3 ? -34.890 -11.059 -26.494 1.00 30.49 ? 3 GLN H O 1 ATOM 22 C CB . GLN A 1 3 ? -34.449 -13.236 -24.512 1.00 34.80 ? 3 GLN H CB 1 ATOM 23 C CG . GLN A 1 3 ? -34.682 -14.297 -23.461 1.00 45.01 ? 3 GLN H CG 1 ATOM 24 C CD . GLN A 1 3 ? -33.772 -15.497 -23.679 1.00 52.89 ? 3 GLN H CD 1 ATOM 25 O OE1 . GLN A 1 3 ? -33.924 -16.241 -24.612 1.00 44.15 ? 3 GLN H OE1 1 ATOM 26 N NE2 . GLN A 1 3 ? -32.806 -15.644 -22.824 1.00 60.48 ? 3 GLN H NE2 1 ATOM 27 N N . LEU A 1 4 ? -33.665 -10.126 -24.955 1.00 21.20 ? 4 LEU H N 1 ATOM 28 C CA . LEU A 1 4 ? -32.960 -9.225 -25.852 1.00 18.97 ? 4 LEU H CA 1 ATOM 29 C C . LEU A 1 4 ? -31.447 -9.364 -25.794 1.00 31.65 ? 4 LEU H C 1 ATOM 30 O O . LEU A 1 4 ? -30.895 -9.617 -24.748 1.00 19.85 ? 4 LEU H O 1 ATOM 31 C CB . LEU A 1 4 ? -33.316 -7.773 -25.596 1.00 17.56 ? 4 LEU H CB 1 ATOM 32 C CG . LEU A 1 4 ? -34.715 -7.236 -25.828 1.00 38.45 ? 4 LEU H CG 1 ATOM 33 C CD1 . LEU A 1 4 ? -35.852 -8.145 -25.293 1.00 18.87 ? 4 LEU H CD1 1 ATOM 34 C CD2 . LEU A 1 4 ? -34.843 -5.820 -25.368 1.00 42.68 ? 4 LEU H CD2 1 ATOM 35 N N . GLN A 1 5 ? -30.794 -9.187 -26.932 1.00 22.49 ? 5 GLN H N 1 ATOM 36 C CA . GLN A 1 5 ? -29.342 -9.307 -26.967 1.00 21.77 ? 5 GLN H CA 1 ATOM 37 C C . GLN A 1 5 ? -28.700 -8.264 -27.873 1.00 22.68 ? 5 GLN H C 1 ATOM 38 O O . GLN A 1 5 ? -28.996 -8.198 -29.066 1.00 25.47 ? 5 GLN H O 1 ATOM 39 C CB . GLN A 1 5 ? -28.916 -10.712 -27.396 1.00 24.17 ? 5 GLN H CB 1 ATOM 40 C CG . GLN A 1 5 ? -27.411 -10.869 -27.556 1.00 22.07 ? 5 GLN H CG 1 ATOM 41 C CD . GLN A 1 5 ? -26.988 -12.316 -27.703 1.00 27.76 ? 5 GLN H CD 1 ATOM 42 O OE1 . GLN A 1 5 ? -27.790 -13.230 -27.510 1.00 31.68 ? 5 GLN H OE1 1 ATOM 43 N NE2 . GLN A 1 5 ? -25.721 -12.532 -28.043 1.00 27.72 ? 5 GLN H NE2 1 ATOM 44 N N . GLU A 1 6 ? -27.821 -7.450 -27.296 1.00 20.36 ? 6 GLU H N 1 ATOM 45 C CA . GLU A 1 6 ? -27.104 -6.430 -28.051 1.00 20.25 ? 6 GLU H CA 1 ATOM 46 C C . GLU A 1 6 ? -25.802 -6.997 -28.599 1.00 19.78 ? 6 GLU H C 1 ATOM 47 O O . GLU A 1 6 ? -25.083 -7.711 -27.901 1.00 20.70 ? 6 GLU H O 1 ATOM 48 C CB . GLU A 1 6 ? -26.799 -5.213 -27.174 1.00 20.36 ? 6 GLU H CB 1 ATOM 49 C CG . GLU A 1 6 ? -27.989 -4.670 -26.399 1.00 22.09 ? 6 GLU H CG 1 ATOM 50 C CD . GLU A 1 6 ? -28.176 -5.360 -25.063 1.00 20.04 ? 6 GLU H CD 1 ATOM 51 O OE1 . GLU A 1 6 ? -27.395 -6.283 -24.758 1.00 23.16 ? 6 GLU H OE1 1 ATOM 52 O OE2 . GLU A 1 6 ? -29.100 -4.976 -24.318 1.00 18.45 ? 6 GLU H OE2 1 ATOM 53 N N . SER A 1 7 ? -25.474 -6.680 -29.817 1.00 19.20 ? 7 SER H N 1 ATOM 54 C CA . SER A 1 7 ? -24.287 -7.168 -30.502 1.00 27.36 ? 7 SER H CA 1 ATOM 55 C C . SER A 1 7 ? -23.736 -6.237 -31.590 1.00 24.77 ? 7 SER H C 1 ATOM 56 O O . SER A 1 7 ? -24.450 -5.594 -32.299 1.00 23.59 ? 7 SER H O 1 ATOM 57 C CB . SER A 1 7 ? -24.534 -8.557 -31.146 1.00 17.91 ? 7 SER H CB 1 ATOM 58 O OG . SER A 1 7 ? -25.217 -8.500 -32.352 1.00 17.72 ? 7 SER H OG 1 ATOM 59 N N . GLY A 1 8 ? -22.442 -6.250 -31.763 1.00 27.63 ? 8 GLY H N 1 ATOM 60 C CA . GLY A 1 8 ? -21.869 -5.634 -32.909 1.00 34.80 ? 8 GLY H CA 1 ATOM 61 C C . GLY A 1 8 ? -21.225 -6.586 -33.900 1.00 49.03 ? 8 GLY H C 1 ATOM 62 O O . GLY A 1 8 ? -20.830 -7.683 -33.567 1.00 50.39 ? 8 GLY H O 1 ATOM 63 N N . PRO A 1 9 ? -21.164 -6.128 -35.145 1.00 60.14 ? 9 PRO H N 1 ATOM 64 C CA . PRO A 1 9 ? -20.466 -6.790 -36.229 1.00 70.28 ? 9 PRO H CA 1 ATOM 65 C C . PRO A 1 9 ? -19.010 -6.967 -35.888 1.00 74.70 ? 9 PRO H C 1 ATOM 66 O O . PRO A 1 9 ? -18.347 -7.904 -36.317 1.00 60.54 ? 9 PRO H O 1 ATOM 67 C CB . PRO A 1 9 ? -20.560 -5.753 -37.321 1.00 67.81 ? 9 PRO H CB 1 ATOM 68 C CG . PRO A 1 9 ? -20.584 -4.544 -36.624 1.00 60.40 ? 9 PRO H CG 1 ATOM 69 C CD . PRO A 1 9 ? -21.528 -4.785 -35.558 1.00 57.16 ? 9 PRO H CD 1 ATOM 70 N N . GLY A 1 10 ? -18.518 -6.019 -35.096 1.00 81.48 ? 10 GLY H N 1 ATOM 71 C CA . GLY A 1 10 ? -17.198 -6.127 -34.553 1.00 75.48 ? 10 GLY H CA 1 ATOM 72 C C . GLY A 1 10 ? -16.727 -4.735 -34.350 1.00 65.21 ? 10 GLY H C 1 ATOM 73 O O . GLY A 1 10 ? -17.486 -3.866 -33.970 1.00 59.47 ? 10 GLY H O 1 ATOM 74 N N . LEU A 1 11 ? -15.428 -4.592 -34.601 1.00 56.62 ? 11 LEU H N 1 ATOM 75 C CA . LEU A 1 11 ? -14.434 -3.645 -34.133 1.00 48.77 ? 11 LEU H CA 1 ATOM 76 C C . LEU A 1 11 ? -14.614 -2.300 -34.738 1.00 46.96 ? 11 LEU H C 1 ATOM 77 O O . LEU A 1 11 ? -14.716 -2.204 -35.935 1.00 42.12 ? 11 LEU H O 1 ATOM 78 C CB . LEU A 1 11 ? -13.025 -4.164 -34.431 1.00 54.48 ? 11 LEU H CB 1 ATOM 79 C CG . LEU A 1 11 ? -12.605 -5.441 -33.699 1.00 70.93 ? 11 LEU H CG 1 ATOM 80 C CD1 . LEU A 1 11 ? -13.660 -6.525 -33.863 1.00 69.86 ? 11 LEU H CD1 1 ATOM 81 C CD2 . LEU A 1 11 ? -11.252 -5.925 -34.193 1.00 75.11 ? 11 LEU H CD2 1 ATOM 82 N N . VAL A 1 12 ? -14.630 -1.272 -33.895 1.00 43.15 ? 12 VAL H N 1 ATOM 83 C CA . VAL A 1 12 ? -14.822 0.109 -34.346 1.00 38.97 ? 12 VAL H CA 1 ATOM 84 C C . VAL A 1 12 ? -13.630 1.024 -34.177 1.00 36.24 ? 12 VAL H C 1 ATOM 85 O O . VAL A 1 12 ? -13.286 1.425 -33.104 1.00 32.92 ? 12 VAL H O 1 ATOM 86 C CB . VAL A 1 12 ? -15.989 0.797 -33.647 1.00 36.84 ? 12 VAL H CB 1 ATOM 87 C CG1 . VAL A 1 12 ? -16.691 1.766 -34.568 1.00 28.33 ? 12 VAL H CG1 1 ATOM 88 C CG2 . VAL A 1 12 ? -16.893 -0.202 -33.082 1.00 39.72 ? 12 VAL H CG2 1 ATOM 89 N N . LYS A 1 13 ? -13.065 1.401 -35.298 1.00 34.32 ? 13 LYS H N 1 ATOM 90 C CA . LYS A 1 13 ? -12.039 2.393 -35.324 1.00 26.03 ? 13 LYS H CA 1 ATOM 91 C C . LYS A 1 13 ? -12.606 3.799 -35.328 1.00 25.81 ? 13 LYS H C 1 ATOM 92 O O . LYS A 1 13 ? -13.669 4.063 -35.842 1.00 28.48 ? 13 LYS H O 1 ATOM 93 C CB . LYS A 1 13 ? -11.171 2.169 -36.529 1.00 27.49 ? 13 LYS H CB 1 ATOM 94 C CG . LYS A 1 13 ? -10.670 0.814 -36.587 1.00 27.94 ? 13 LYS H CG 1 ATOM 95 C CD . LYS A 1 13 ? -9.597 0.711 -37.519 1.00 32.15 ? 13 LYS H CD 1 ATOM 96 C CE . LYS A 1 13 ? -9.906 -0.255 -38.573 1.00 35.24 ? 13 LYS H CE 1 ATOM 97 N NZ . LYS A 1 13 ? -8.896 -1.274 -38.556 1.00 33.59 ? 13 LYS H NZ 1 ATOM 98 N N . PRO A 1 14 ? -11.854 4.689 -34.727 1.00 29.88 ? 14 PRO H N 1 ATOM 99 C CA . PRO A 1 14 ? -12.175 6.092 -34.719 1.00 27.92 ? 14 PRO H CA 1 ATOM 100 C C . PRO A 1 14 ? -12.573 6.571 -36.080 1.00 33.58 ? 14 PRO H C 1 ATOM 101 O O . PRO A 1 14 ? -11.965 6.193 -37.031 1.00 30.53 ? 14 PRO H O 1 ATOM 102 C CB . PRO A 1 14 ? -10.897 6.712 -34.252 1.00 30.49 ? 14 PRO H CB 1 ATOM 103 C CG . PRO A 1 14 ? -10.155 5.650 -33.644 1.00 30.93 ? 14 PRO H CG 1 ATOM 104 C CD . PRO A 1 14 ? -10.815 4.398 -33.756 1.00 28.93 ? 14 PRO H CD 1 ATOM 105 N N . SER A 1 15 ? -13.621 7.372 -36.143 1.00 27.08 ? 15 SER H N 1 ATOM 106 C CA . SER A 1 15 ? -14.141 7.971 -37.372 1.00 27.32 ? 15 SER H CA 1 ATOM 107 C C . SER A 1 15 ? -14.821 6.935 -38.271 1.00 42.10 ? 15 SER H C 1 ATOM 108 O O . SER A 1 15 ? -15.084 7.200 -39.444 1.00 57.05 ? 15 SER H O 1 ATOM 109 C CB . SER A 1 15 ? -13.016 8.541 -38.245 1.00 29.79 ? 15 SER H CB 1 ATOM 110 O OG . SER A 1 15 ? -12.491 7.561 -39.122 1.00 30.79 ? 15 SER H OG 1 ATOM 111 N N . GLU A 1 16 ? -15.108 5.760 -37.718 1.00 32.56 ? 16 GLU H N 1 ATOM 112 C CA . GLU A 1 16 ? -16.011 4.791 -38.337 1.00 30.76 ? 16 GLU H CA 1 ATOM 113 C C . GLU A 1 16 ? -17.380 4.813 -37.663 1.00 28.47 ? 16 GLU H C 1 ATOM 114 O O . GLU A 1 16 ? -17.529 5.321 -36.551 1.00 26.55 ? 16 GLU H O 1 ATOM 115 C CB . GLU A 1 16 ? -15.423 3.376 -38.296 1.00 27.80 ? 16 GLU H CB 1 ATOM 116 C CG . GLU A 1 16 ? -14.279 3.150 -39.275 1.00 41.70 ? 16 GLU H CG 1 ATOM 117 C CD . GLU A 1 16 ? -13.847 1.696 -39.354 1.00 47.64 ? 16 GLU H CD 1 ATOM 118 O OE1 . GLU A 1 16 ? -14.190 0.915 -38.439 1.00 45.58 ? 16 GLU H OE1 1 ATOM 119 O OE2 . GLU A 1 16 ? -13.163 1.334 -40.336 1.00 48.35 ? 16 GLU H OE2 1 ATOM 120 N N . THR A 1 17 ? -18.376 4.260 -38.346 1.00 27.83 ? 17 THR H N 1 ATOM 121 C CA . THR A 1 17 ? -19.734 4.219 -37.822 1.00 25.77 ? 17 THR H CA 1 ATOM 122 C C . THR A 1 17 ? -19.931 3.042 -36.877 1.00 26.83 ? 17 THR H C 1 ATOM 123 O O . THR A 1 17 ? -19.650 1.897 -37.228 1.00 23.58 ? 17 THR H O 1 ATOM 124 C CB . THR A 1 17 ? -20.768 4.107 -38.955 1.00 22.44 ? 17 THR H CB 1 ATOM 125 O OG1 . THR A 1 17 ? -20.672 5.255 -39.807 1.00 23.34 ? 17 THR H OG1 1 ATOM 126 C CG2 . THR A 1 17 ? -22.178 4.013 -38.384 1.00 17.67 ? 17 THR H CG2 1 ATOM 127 N N . LEU A 1 18 ? -20.411 3.329 -35.672 1.00 26.92 ? 18 LEU H N 1 ATOM 128 C CA . LEU A 1 18 ? -20.762 2.277 -34.733 1.00 17.99 ? 18 LEU H CA 1 ATOM 129 C C . LEU A 1 18 ? -22.110 1.687 -35.123 1.00 23.25 ? 18 LEU H C 1 ATOM 130 O O . LEU A 1 18 ? -23.116 2.396 -35.170 1.00 25.20 ? 18 LEU H O 1 ATOM 131 C CB . LEU A 1 18 ? -20.822 2.820 -33.306 1.00 21.29 ? 18 LEU H CB 1 ATOM 132 C CG . LEU A 1 18 ? -21.310 1.818 -32.254 1.00 32.59 ? 18 LEU H CG 1 ATOM 133 C CD1 . LEU A 1 18 ? -20.353 0.636 -32.148 1.00 33.38 ? 18 LEU H CD1 1 ATOM 134 C CD2 . LEU A 1 18 ? -21.501 2.488 -30.899 1.00 28.35 ? 18 LEU H CD2 1 ATOM 135 N N . SER A 1 19 ? -22.124 0.393 -35.418 1.00 20.72 ? 19 SER H N 1 ATOM 136 C CA . SER A 1 19 ? -23.359 -0.294 -35.775 1.00 15.97 ? 19 SER H CA 1 ATOM 137 C C . SER A 1 19 ? -23.667 -1.398 -34.774 1.00 17.57 ? 19 SER H C 1 ATOM 138 O O . SER A 1 19 ? -22.895 -2.344 -34.619 1.00 16.07 ? 19 SER H O 1 ATOM 139 C CB . SER A 1 19 ? -23.263 -0.870 -37.186 1.00 15.73 ? 19 SER H CB 1 ATOM 140 O OG . SER A 1 19 ? -22.978 0.149 -38.125 1.00 42.56 ? 19 SER H OG 1 ATOM 141 N N . LEU A 1 20 ? -24.798 -1.267 -34.091 1.00 17.86 ? 20 LEU H N 1 ATOM 142 C CA . LEU A 1 20 ? -25.210 -2.248 -33.096 1.00 21.87 ? 20 LEU H CA 1 ATOM 143 C C . LEU A 1 20 ? -26.564 -2.836 -33.450 1.00 25.41 ? 20 LEU H C 1 ATOM 144 O O . LEU A 1 20 ? -27.399 -2.179 -34.070 1.00 31.06 ? 20 LEU H O 1 ATOM 145 C CB . LEU A 1 20 ? -25.262 -1.616 -31.703 1.00 24.16 ? 20 LEU H CB 1 ATOM 146 C CG . LEU A 1 20 ? -24.032 -1.811 -30.813 1.00 26.87 ? 20 LEU H CG 1 ATOM 147 C CD1 . LEU A 1 20 ? -22.765 -1.669 -31.625 1.00 24.11 ? 20 LEU H CD1 1 ATOM 148 C CD2 . LEU A 1 20 ? -24.045 -0.809 -29.672 1.00 18.92 ? 20 LEU H CD2 1 ATOM 149 N N . THR A 1 21 ? -26.775 -4.081 -33.051 1.00 22.13 ? 21 THR H N 1 ATOM 150 C CA . THR A 1 21 ? -28.031 -4.761 -33.313 1.00 14.16 ? 21 THR H CA 1 ATOM 151 C C . THR A 1 21 ? -28.613 -5.305 -32.017 1.00 21.10 ? 21 THR H C 1 ATOM 152 O O . THR A 1 21 ? -27.884 -5.798 -31.157 1.00 14.86 ? 21 THR H O 1 ATOM 153 C CB . THR A 1 21 ? -27.841 -5.918 -34.313 1.00 15.43 ? 21 THR H CB 1 ATOM 154 O OG1 . THR A 1 21 ? -27.430 -5.392 -35.582 1.00 15.75 ? 21 THR H OG1 1 ATOM 155 C CG2 . THR A 1 21 ? -29.134 -6.692 -34.486 1.00 33.17 ? 21 THR H CG2 1 ATOM 156 N N . CYS A 1 22 ? -29.929 -5.193 -31.877 1.00 19.21 ? 22 CYS H N 1 ATOM 157 C CA . CYS A 1 22 ? -30.630 -5.771 -30.741 1.00 18.92 ? 22 CYS H CA 1 ATOM 158 C C . CYS A 1 22 ? -31.573 -6.854 -31.245 1.00 20.56 ? 22 CYS H C 1 ATOM 159 O O . CYS A 1 22 ? -32.634 -6.558 -31.793 1.00 18.91 ? 22 CYS H O 1 ATOM 160 C CB . CYS A 1 22 ? -31.409 -4.700 -29.975 1.00 24.86 ? 22 CYS H CB 1 ATOM 161 S SG . CYS A 1 22 ? -32.229 -5.292 -28.467 1.00 40.17 ? 22 CYS H SG 1 ATOM 162 N N . SER A 1 23 ? -31.171 -8.108 -31.075 1.00 25.95 ? 23 SER H N 1 ATOM 163 C CA . SER A 1 23 ? -31.999 -9.236 -31.476 1.00 28.52 ? 23 SER H CA 1 ATOM 164 C C . SER A 1 23 ? -33.055 -9.504 -30.416 1.00 27.15 ? 23 SER H C 1 ATOM 165 O O . SER A 1 23 ? -32.736 -9.698 -29.243 1.00 21.02 ? 23 SER H O 1 ATOM 166 C CB . SER A 1 23 ? -31.142 -10.483 -31.692 1.00 32.56 ? 23 SER H CB 1 ATOM 167 O OG . SER A 1 23 ? -30.146 -10.247 -32.669 1.00 49.18 ? 23 SER H OG 1 ATOM 168 N N . VAL A 1 24 ? -34.315 -9.505 -30.834 1.00 28.87 ? 24 VAL H N 1 ATOM 169 C CA . VAL A 1 24 ? -35.422 -9.718 -29.913 1.00 28.19 ? 24 VAL H CA 1 ATOM 170 C C . VAL A 1 24 ? -36.048 -11.094 -30.114 1.00 30.66 ? 24 VAL H C 1 ATOM 171 O O . VAL A 1 24 ? -36.339 -11.496 -31.240 1.00 36.65 ? 24 VAL H O 1 ATOM 172 C CB . VAL A 1 24 ? -36.501 -8.631 -30.069 1.00 33.16 ? 24 VAL H CB 1 ATOM 173 C CG1 . VAL A 1 24 ? -37.677 -8.917 -29.151 1.00 34.03 ? 24 VAL H CG1 1 ATOM 174 C CG2 . VAL A 1 24 ? -35.914 -7.254 -29.778 1.00 26.21 ? 24 VAL H CG2 1 ATOM 175 N N . SER A 1 25 ? -36.248 -11.812 -29.014 1.00 23.18 ? 25 SER H N 1 ATOM 176 C CA . SER A 1 25 ? -36.856 -13.136 -29.061 1.00 29.87 ? 25 SER H CA 1 ATOM 177 C C . SER A 1 25 ? -37.995 -13.258 -28.050 1.00 28.84 ? 25 SER H C 1 ATOM 178 O O . SER A 1 25 ? -37.910 -12.734 -26.939 1.00 30.31 ? 25 SER H O 1 ATOM 179 C CB . SER A 1 25 ? -35.803 -14.217 -28.802 1.00 30.73 ? 25 SER H CB 1 ATOM 180 O OG . SER A 1 25 ? -36.390 -15.506 -28.780 1.00 50.54 ? 25 SER H OG 1 ATOM 181 N N . GLY A 1 26 ? -39.059 -13.952 -28.441 1.00 29.08 ? 26 GLY H N 1 ATOM 182 C CA . GLY A 1 26 ? -40.204 -14.137 -27.569 1.00 30.08 ? 26 GLY H CA 1 ATOM 183 C C . GLY A 1 26 ? -41.208 -13.004 -27.675 1.00 40.39 ? 26 GLY H C 1 ATOM 184 O O . GLY A 1 26 ? -42.126 -12.897 -26.862 1.00 44.90 ? 26 GLY H O 1 ATOM 185 N N . ALA A 1 27 ? -41.032 -12.156 -28.683 1.00 34.09 ? 27 ALA H N 1 ATOM 186 C CA . ALA A 1 27 ? -41.936 -11.034 -28.916 1.00 26.62 ? 27 ALA H CA 1 ATOM 187 C C . ALA A 1 27 ? -41.608 -10.341 -30.234 1.00 33.76 ? 27 ALA H C 1 ATOM 188 O O . ALA A 1 27 ? -40.499 -10.475 -30.756 1.00 28.65 ? 27 ALA H O 1 ATOM 189 C CB . ALA A 1 27 ? -41.865 -10.046 -27.765 1.00 29.06 ? 27 ALA H CB 1 ATOM 190 N N . SER A 1 28 ? -42.575 -9.605 -30.772 1.00 30.02 ? 28 SER H N 1 ATOM 191 C CA . SER A 1 28 ? -42.359 -8.857 -32.005 1.00 28.44 ? 28 SER H CA 1 ATOM 192 C C . SER A 1 28 ? -42.055 -7.397 -31.695 1.00 28.46 ? 28 SER H C 1 ATOM 193 O O . SER A 1 28 ? -42.641 -6.812 -30.784 1.00 25.83 ? 28 SER H O 1 ATOM 194 C CB . SER A 1 28 ? -43.573 -8.959 -32.929 1.00 30.69 ? 28 SER H CB 1 ATOM 195 O OG . SER A 1 28 ? -44.704 -8.325 -32.360 1.00 50.20 ? 28 SER H OG 1 ATOM 196 N N . ILE A 1 29 ? -41.134 -6.816 -32.455 1.00 29.40 ? 29 ILE H N 1 ATOM 197 C CA . ILE A 1 29 ? -40.736 -5.431 -32.244 1.00 30.49 ? 29 ILE H CA 1 ATOM 198 C C . ILE A 1 29 ? -41.890 -4.481 -32.547 1.00 32.74 ? 29 ILE H C 1 ATOM 199 O O . ILE A 1 29 ? -41.904 -3.340 -32.087 1.00 31.93 ? 29 ILE H O 1 ATOM 200 C CB . ILE A 1 29 ? -39.516 -5.079 -33.116 1.00 34.97 ? 29 ILE H CB 1 ATOM 201 C CG1 . ILE A 1 29 ? -39.821 -5.342 -34.592 1.00 38.99 ? 29 ILE H CG1 1 ATOM 202 C CG2 . ILE A 1 29 ? -38.296 -5.870 -32.670 1.00 33.41 ? 29 ILE H CG2 1 ATOM 203 C CD1 . ILE A 1 29 ? -38.784 -4.781 -35.538 1.00 39.53 ? 29 ILE H CD1 1 ATOM 204 N N . SER A 1 30 ? -42.862 -4.963 -33.316 1.00 22.39 ? 30 SER H N 1 ATOM 205 C CA . SER A 1 30 ? -43.981 -4.134 -33.753 1.00 37.87 ? 30 SER H CA 1 ATOM 206 C C . SER A 1 30 ? -45.008 -3.895 -32.649 1.00 35.22 ? 30 SER H C 1 ATOM 207 O O . SER A 1 30 ? -45.866 -3.023 -32.771 1.00 38.60 ? 30 SER H O 1 ATOM 208 C CB . SER A 1 30 ? -44.663 -4.757 -34.974 1.00 25.92 ? 30 SER H CB 1 ATOM 209 O OG . SER A 1 30 ? -43.758 -4.870 -36.057 1.00 39.26 ? 30 SER H OG 1 ATOM 210 N N . ASP A 1 31 ? -44.922 -4.670 -31.574 1.00 28.22 ? 31 ASP H N 1 ATOM 211 C CA . ASP A 1 31 ? -45.866 -4.528 -30.473 1.00 28.88 ? 31 ASP H CA 1 ATOM 212 C C . ASP A 1 31 ? -45.382 -3.531 -29.423 1.00 33.87 ? 31 ASP H C 1 ATOM 213 O O . ASP A 1 31 ? -46.147 -3.132 -28.546 1.00 34.95 ? 31 ASP H O 1 ATOM 214 C CB . ASP A 1 31 ? -46.206 -5.894 -29.870 1.00 32.94 ? 31 ASP H CB 1 ATOM 215 C CG . ASP A 1 31 ? -47.028 -6.760 -30.808 1.00 35.62 ? 31 ASP H CG 1 ATOM 216 O OD1 . ASP A 1 31 ? -47.807 -6.202 -31.611 1.00 43.08 ? 31 ASP H OD1 1 ATOM 217 O OD2 . ASP A 1 31 ? -46.896 -8.000 -30.739 1.00 32.03 ? 31 ASP H OD2 1 ATOM 218 N N . SER A 1 32 ? -44.122 -3.115 -29.519 1.00 23.68 ? 32 SER H N 1 ATOM 219 C CA . SER A 1 32 ? -43.539 -2.243 -28.499 1.00 24.70 ? 32 SER H CA 1 ATOM 220 C C . SER A 1 32 ? -42.700 -1.079 -29.020 1.00 29.27 ? 32 SER H C 1 ATOM 221 O O . SER A 1 32 ? -42.258 -1.073 -30.168 1.00 24.79 ? 32 SER H O 1 ATOM 222 C CB . SER A 1 32 ? -42.659 -3.106 -27.588 1.00 18.89 ? 32 SER H CB 1 ATOM 223 O OG . SER A 1 32 ? -43.420 -4.076 -26.893 1.00 20.33 ? 32 SER H OG 1 ATOM 224 N N . TYR A 1 33 ? -42.494 -0.092 -28.153 1.00 35.45 ? 33 TYR H N 1 ATOM 225 C CA . TYR A 1 33 ? -41.447 0.899 -28.345 1.00 28.35 ? 33 TYR H CA 1 ATOM 226 C C . TYR A 1 33 ? -40.132 0.229 -27.977 1.00 24.40 ? 33 TYR H C 1 ATOM 227 O O . TYR A 1 33 ? -40.122 -0.791 -27.287 1.00 21.96 ? 33 TYR H O 1 ATOM 228 C CB . TYR A 1 33 ? -41.665 2.102 -27.426 1.00 16.62 ? 33 TYR H CB 1 ATOM 229 C CG . TYR A 1 33 ? -42.696 3.101 -27.902 1.00 21.39 ? 33 TYR H CG 1 ATOM 230 C CD1 . TYR A 1 33 ? -44.042 2.762 -27.982 1.00 18.90 ? 33 TYR H CD1 1 ATOM 231 C CD2 . TYR A 1 33 ? -42.325 4.396 -28.241 1.00 17.56 ? 33 TYR H CD2 1 ATOM 232 C CE1 . TYR A 1 33 ? -44.986 3.681 -28.406 1.00 24.27 ? 33 TYR H CE1 1 ATOM 233 C CE2 . TYR A 1 33 ? -43.262 5.322 -28.665 1.00 20.06 ? 33 TYR H CE2 1 ATOM 234 C CZ . TYR A 1 33 ? -44.591 4.960 -28.745 1.00 24.93 ? 33 TYR H CZ 1 ATOM 235 O OH . TYR A 1 33 ? -45.527 5.877 -29.165 1.00 21.50 ? 33 TYR H OH 1 ATOM 236 N N . TRP A 1 34 ? -39.020 0.800 -28.424 1.00 24.77 ? 34 TRP H N 1 ATOM 237 C CA . TRP A 1 34 ? -37.710 0.247 -28.097 1.00 20.30 ? 34 TRP H CA 1 ATOM 238 C C . TRP A 1 34 ? -36.689 1.350 -27.840 1.00 18.01 ? 34 TRP H C 1 ATOM 239 O O . TRP A 1 34 ? -36.683 2.374 -28.524 1.00 26.35 ? 34 TRP H O 1 ATOM 240 C CB . TRP A 1 34 ? -37.230 -0.696 -29.205 1.00 23.92 ? 34 TRP H CB 1 ATOM 241 C CG . TRP A 1 34 ? -38.125 -1.888 -29.385 1.00 23.98 ? 34 TRP H CG 1 ATOM 242 C CD1 . TRP A 1 34 ? -39.145 -2.019 -30.280 1.00 20.54 ? 34 TRP H CD1 1 ATOM 243 C CD2 . TRP A 1 34 ? -38.085 -3.111 -28.640 1.00 21.67 ? 34 TRP H CD2 1 ATOM 244 N NE1 . TRP A 1 34 ? -39.741 -3.250 -30.143 1.00 23.01 ? 34 TRP H NE1 1 ATOM 245 C CE2 . TRP A 1 34 ? -39.110 -3.939 -29.142 1.00 23.39 ? 34 TRP H CE2 1 ATOM 246 C CE3 . TRP A 1 34 ? -37.283 -3.586 -27.597 1.00 18.16 ? 34 TRP H CE3 1 ATOM 247 C CZ2 . TRP A 1 34 ? -39.354 -5.218 -28.638 1.00 25.59 ? 34 TRP H CZ2 1 ATOM 248 C CZ3 . TRP A 1 34 ? -37.527 -4.856 -27.097 1.00 26.18 ? 34 TRP H CZ3 1 ATOM 249 C CH2 . TRP A 1 34 ? -38.554 -5.657 -27.619 1.00 26.36 ? 34 TRP H CH2 1 ATOM 250 N N . SER A 1 35 ? -35.833 1.137 -26.845 1.00 17.51 ? 35 SER H N 1 ATOM 251 C CA . SER A 1 35 ? -34.827 2.129 -26.477 1.00 17.96 ? 35 SER H CA 1 ATOM 252 C C . SER A 1 35 ? -33.412 1.564 -26.479 1.00 17.90 ? 35 SER H C 1 ATOM 253 O O . SER A 1 35 ? -33.203 0.372 -26.261 1.00 13.33 ? 35 SER H O 1 ATOM 254 C CB . SER A 1 35 ? -35.130 2.722 -25.098 1.00 17.52 ? 35 SER H CB 1 ATOM 255 O OG . SER A 1 35 ? -36.297 3.523 -25.124 1.00 24.39 ? 35 SER H OG 1 ATOM 256 N N . TRP A 1 36 ? -32.445 2.438 -26.733 1.00 17.02 ? 36 TRP H N 1 ATOM 257 C CA . TRP A 1 36 ? -31.041 2.104 -26.556 1.00 20.51 ? 36 TRP H CA 1 ATOM 258 C C . TRP A 1 36 ? -30.478 2.927 -25.404 1.00 20.74 ? 36 TRP H C 1 ATOM 259 O O . TRP A 1 36 ? -30.751 4.122 -25.297 1.00 27.39 ? 36 TRP H O 1 ATOM 260 C CB . TRP A 1 36 ? -30.245 2.374 -27.835 1.00 15.49 ? 36 TRP H CB 1 ATOM 261 C CG . TRP A 1 36 ? -30.274 1.245 -28.824 1.00 14.30 ? 36 TRP H CG 1 ATOM 262 C CD1 . TRP A 1 36 ? -31.120 1.105 -29.887 1.00 20.26 ? 36 TRP H CD1 1 ATOM 263 C CD2 . TRP A 1 36 ? -29.413 0.100 -28.844 1.00 17.36 ? 36 TRP H CD2 1 ATOM 264 N NE1 . TRP A 1 36 ? -30.840 -0.057 -30.566 1.00 23.05 ? 36 TRP H NE1 1 ATOM 265 C CE2 . TRP A 1 36 ? -29.796 -0.692 -29.946 1.00 21.62 ? 36 TRP H CE2 1 ATOM 266 C CE3 . TRP A 1 36 ? -28.357 -0.334 -28.036 1.00 20.13 ? 36 TRP H CE3 1 ATOM 267 C CZ2 . TRP A 1 36 ? -29.160 -1.893 -30.260 1.00 24.48 ? 36 TRP H CZ2 1 ATOM 268 C CZ3 . TRP A 1 36 ? -27.728 -1.525 -28.350 1.00 29.90 ? 36 TRP H CZ3 1 ATOM 269 C CH2 . TRP A 1 36 ? -28.131 -2.291 -29.452 1.00 27.31 ? 36 TRP H CH2 1 ATOM 270 N N . ILE A 1 37 ? -29.707 2.280 -24.536 1.00 15.55 ? 37 ILE H N 1 ATOM 271 C CA . ILE A 1 37 ? -29.056 2.965 -23.428 1.00 15.83 ? 37 ILE H CA 1 ATOM 272 C C . ILE A 1 37 ? -27.570 2.633 -23.434 1.00 16.73 ? 37 ILE H C 1 ATOM 273 O O . ILE A 1 37 ? -27.170 1.584 -23.936 1.00 21.23 ? 37 ILE H O 1 ATOM 274 C CB . ILE A 1 37 ? -29.650 2.552 -22.063 1.00 16.95 ? 37 ILE H CB 1 ATOM 275 C CG1 . ILE A 1 37 ? -31.177 2.674 -22.069 1.00 16.59 ? 37 ILE H CG1 1 ATOM 276 C CG2 . ILE A 1 37 ? -29.047 3.385 -20.942 1.00 18.83 ? 37 ILE H CG2 1 ATOM 277 C CD1 . ILE A 1 37 ? -31.886 1.459 -22.626 1.00 18.41 ? 37 ILE H CD1 1 ATOM 278 N N . ARG A 1 38 ? -26.750 3.521 -22.884 1.00 17.65 ? 38 ARG H N 1 ATOM 279 C CA . ARG A 1 38 ? -25.322 3.248 -22.795 1.00 24.26 ? 38 ARG H CA 1 ATOM 280 C C . ARG A 1 38 ? -24.706 3.791 -21.510 1.00 31.68 ? 38 ARG H C 1 ATOM 281 O O . ARG A 1 38 ? -25.216 4.738 -20.909 1.00 29.60 ? 38 ARG H O 1 ATOM 282 C CB . ARG A 1 38 ? -24.580 3.802 -24.015 1.00 24.80 ? 38 ARG H CB 1 ATOM 283 C CG . ARG A 1 38 ? -24.390 5.308 -24.003 1.00 26.39 ? 38 ARG H CG 1 ATOM 284 C CD . ARG A 1 38 ? -23.552 5.762 -25.189 1.00 21.61 ? 38 ARG H CD 1 ATOM 285 N NE . ARG A 1 38 ? -23.172 7.167 -25.084 1.00 25.91 ? 38 ARG H NE 1 ATOM 286 C CZ . ARG A 1 38 ? -22.413 7.808 -25.967 1.00 26.29 ? 38 ARG H CZ 1 ATOM 287 N NH1 . ARG A 1 38 ? -21.947 7.172 -27.033 1.00 19.75 ? 38 ARG H NH1 1 ATOM 288 N NH2 . ARG A 1 38 ? -22.119 9.087 -25.784 1.00 26.43 ? 38 ARG H NH2 1 ATOM 289 N N . ARG A 1 39 ? -23.607 3.173 -21.095 1.00 27.29 ? 39 ARG H N 1 ATOM 290 C CA . ARG A 1 39 ? -22.875 3.609 -19.919 1.00 29.38 ? 39 ARG H CA 1 ATOM 291 C C . ARG A 1 39 ? -21.420 3.871 -20.279 1.00 36.63 ? 39 ARG H C 1 ATOM 292 O O . ARG A 1 39 ? -20.614 2.950 -20.364 1.00 41.16 ? 39 ARG H O 1 ATOM 293 C CB . ARG A 1 39 ? -22.966 2.565 -18.807 1.00 25.93 ? 39 ARG H CB 1 ATOM 294 C CG . ARG A 1 39 ? -22.384 3.024 -17.480 1.00 36.52 ? 39 ARG H CG 1 ATOM 295 C CD . ARG A 1 39 ? -22.627 1.999 -16.385 1.00 46.91 ? 39 ARG H CD 1 ATOM 296 N NE . ARG A 1 39 ? -23.772 1.144 -16.682 1.00 55.78 ? 39 ARG H NE 1 ATOM 297 C CZ . ARG A 1 39 ? -24.686 0.781 -15.790 1.00 60.14 ? 39 ARG H CZ 1 ATOM 298 N NH1 . ARG A 1 39 ? -24.591 1.198 -14.536 1.00 65.81 ? 39 ARG H NH1 1 ATOM 299 N NH2 . ARG A 1 39 ? -25.696 0.003 -16.151 1.00 58.94 ? 39 ARG H NH2 1 ATOM 300 N N . SER A 1 40 ? -21.096 5.138 -20.501 1.00 36.38 ? 40 SER H N 1 ATOM 301 C CA . SER A 1 40 ? -19.731 5.536 -20.805 1.00 39.16 ? 40 SER H CA 1 ATOM 302 C C . SER A 1 40 ? -18.959 5.858 -19.536 1.00 51.72 ? 40 SER H C 1 ATOM 303 O O . SER A 1 40 ? -19.445 6.602 -18.686 1.00 62.53 ? 40 SER H O 1 ATOM 304 C CB . SER A 1 40 ? -19.720 6.790 -21.679 1.00 40.19 ? 40 SER H CB 1 ATOM 305 O OG . SER A 1 40 ? -20.389 6.566 -22.910 1.00 41.59 ? 40 SER H OG 1 ATOM 306 N N . PRO A 1 41 ? -17.749 5.298 -19.403 1.00 64.14 ? 41 PRO H N 1 ATOM 307 C CA . PRO A 1 41 ? -16.935 5.520 -18.203 1.00 64.56 ? 41 PRO H CA 1 ATOM 308 C C . PRO A 1 41 ? -16.793 6.995 -17.846 1.00 66.52 ? 41 PRO H C 1 ATOM 309 O O . PRO A 1 41 ? -16.744 7.342 -16.665 1.00 70.95 ? 41 PRO H O 1 ATOM 310 C CB . PRO A 1 41 ? -15.575 4.920 -18.577 1.00 65.44 ? 41 PRO H CB 1 ATOM 311 C CG . PRO A 1 41 ? -15.531 4.955 -20.070 1.00 64.51 ? 41 PRO H CG 1 ATOM 312 C CD . PRO A 1 41 ? -16.944 4.757 -20.522 1.00 65.13 ? 41 PRO H CD 1 ATOM 313 N N . GLY A 1 42 ? -16.737 7.849 -18.863 1.00 63.60 ? 42 GLY H N 1 ATOM 314 C CA . GLY A 1 42 ? -16.642 9.281 -18.654 1.00 67.63 ? 42 GLY H CA 1 ATOM 315 C C . GLY A 1 42 ? -17.912 9.874 -18.073 1.00 73.90 ? 42 GLY H C 1 ATOM 316 O O . GLY A 1 42 ? -17.881 10.936 -17.451 1.00 77.25 ? 42 GLY H O 1 ATOM 317 N N . LYS A 1 43 ? -19.034 9.190 -18.274 1.00 77.81 ? 43 LYS H N 1 ATOM 318 C CA . LYS A 1 43 ? -20.319 9.666 -17.769 1.00 77.90 ? 43 LYS H CA 1 ATOM 319 C C . LYS A 1 43 ? -21.135 8.497 -17.220 1.00 81.19 ? 43 LYS H C 1 ATOM 320 O O . LYS A 1 43 ? -20.606 7.408 -16.987 1.00 86.47 ? 43 LYS H O 1 ATOM 321 C CB . LYS A 1 43 ? -21.099 10.389 -18.868 1.00 66.93 ? 43 LYS H CB 1 ATOM 322 C CG . LYS A 1 43 ? -20.473 11.701 -19.314 0.00 64.50 ? 43 LYS H CG 1 ATOM 323 C CD . LYS A 1 43 ? -21.283 12.353 -20.421 0.00 59.18 ? 43 LYS H CD 1 ATOM 324 C CE . LYS A 1 43 ? -20.670 13.676 -20.850 0.00 59.04 ? 43 LYS H CE 1 ATOM 325 N NZ . LYS A 1 43 ? -21.441 14.314 -21.952 0.00 56.34 ? 43 LYS H NZ 1 ATOM 326 N N . GLY A 1 44 ? -22.375 8.751 -16.864 1.00 73.78 ? 44 GLY H N 1 ATOM 327 C CA . GLY A 1 44 ? -23.241 7.719 -16.326 1.00 69.02 ? 44 GLY H CA 1 ATOM 328 C C . GLY A 1 44 ? -24.161 6.991 -17.284 1.00 64.46 ? 44 GLY H C 1 ATOM 329 O O . GLY A 1 44 ? -23.958 7.014 -18.497 1.00 67.49 ? 44 GLY H O 1 ATOM 330 N N . LEU A 1 45 ? -25.177 6.338 -16.730 1.00 52.35 ? 45 LEU H N 1 ATOM 331 C CA . LEU A 1 45 ? -26.163 5.625 -17.527 1.00 39.51 ? 45 LEU H CA 1 ATOM 332 C C . LEU A 1 45 ? -27.026 6.629 -18.290 1.00 43.77 ? 45 LEU H C 1 ATOM 333 O O . LEU A 1 45 ? -27.822 7.353 -17.690 1.00 43.66 ? 45 LEU H O 1 ATOM 334 C CB . LEU A 1 45 ? -27.029 4.762 -16.611 1.00 27.67 ? 45 LEU H CB 1 ATOM 335 C CG . LEU A 1 45 ? -27.720 3.544 -17.219 1.00 37.20 ? 45 LEU H CG 1 ATOM 336 C CD1 . LEU A 1 45 ? -26.722 2.712 -18.002 1.00 35.89 ? 45 LEU H CD1 1 ATOM 337 C CD2 . LEU A 1 45 ? -28.362 2.715 -16.120 1.00 37.60 ? 45 LEU H CD2 1 ATOM 338 N N . GLU A 1 46 ? -26.864 6.679 -19.610 1.00 39.88 ? 46 GLU H N 1 ATOM 339 C CA . GLU A 1 46 ? -27.576 7.667 -20.417 1.00 34.99 ? 46 GLU H CA 1 ATOM 340 C C . GLU A 1 46 ? -28.514 7.057 -21.460 1.00 29.82 ? 46 GLU H C 1 ATOM 341 O O . GLU A 1 46 ? -28.191 6.058 -22.107 1.00 22.26 ? 46 GLU H O 1 ATOM 342 C CB . GLU A 1 46 ? -26.596 8.640 -21.084 1.00 34.64 ? 46 GLU H CB 1 ATOM 343 C CG . GLU A 1 46 ? -25.674 8.012 -22.117 1.00 46.30 ? 46 GLU H CG 1 ATOM 344 C CD . GLU A 1 46 ? -24.720 9.021 -22.738 1.00 54.24 ? 46 GLU H CD 1 ATOM 345 O OE1 . GLU A 1 46 ? -23.525 9.017 -22.373 1.00 49.25 ? 46 GLU H OE1 1 ATOM 346 O OE2 . GLU A 1 46 ? -25.163 9.819 -23.591 1.00 60.01 ? 46 GLU H OE2 1 ATOM 347 N N . TRP A 1 47 ? -29.678 7.682 -21.607 1.00 25.14 ? 47 TRP H N 1 ATOM 348 C CA . TRP A 1 47 ? -30.684 7.274 -22.577 1.00 20.94 ? 47 TRP H CA 1 ATOM 349 C C . TRP A 1 47 ? -30.317 7.812 -23.955 1.00 21.47 ? 47 TRP H C 1 ATOM 350 O O . TRP A 1 47 ? -30.222 9.023 -24.152 1.00 32.13 ? 47 TRP H O 1 ATOM 351 C CB . TRP A 1 47 ? -32.049 7.822 -22.155 1.00 27.17 ? 47 TRP H CB 1 ATOM 352 C CG . TRP A 1 47 ? -33.223 7.234 -22.881 1.00 29.09 ? 47 TRP H CG 1 ATOM 353 C CD1 . TRP A 1 47 ? -33.220 6.155 -23.717 1.00 26.96 ? 47 TRP H CD1 1 ATOM 354 C CD2 . TRP A 1 47 ? -34.578 7.696 -22.828 1.00 28.82 ? 47 TRP H CD2 1 ATOM 355 N NE1 . TRP A 1 47 ? -34.491 5.917 -24.188 1.00 21.98 ? 47 TRP H NE1 1 ATOM 356 C CE2 . TRP A 1 47 ? -35.342 6.850 -23.656 1.00 23.72 ? 47 TRP H CE2 1 ATOM 357 C CE3 . TRP A 1 47 ? -35.219 8.745 -22.159 1.00 20.14 ? 47 TRP H CE3 1 ATOM 358 C CZ2 . TRP A 1 47 ? -36.713 7.020 -23.834 1.00 17.66 ? 47 TRP H CZ2 1 ATOM 359 C CZ3 . TRP A 1 47 ? -36.580 8.912 -22.337 1.00 23.85 ? 47 TRP H CZ3 1 ATOM 360 C CH2 . TRP A 1 47 ? -37.311 8.054 -23.167 1.00 18.95 ? 47 TRP H CH2 1 ATOM 361 N N . ILE A 1 48 ? -30.109 6.912 -24.909 1.00 17.68 ? 48 ILE H N 1 ATOM 362 C CA . ILE A 1 48 ? -29.717 7.318 -26.253 1.00 19.69 ? 48 ILE H CA 1 ATOM 363 C C . ILE A 1 48 ? -30.921 7.778 -27.069 1.00 20.53 ? 48 ILE H C 1 ATOM 364 O O . ILE A 1 48 ? -30.876 8.817 -27.729 1.00 16.22 ? 48 ILE H O 1 ATOM 365 C CB . ILE A 1 48 ? -28.988 6.181 -26.995 1.00 18.95 ? 48 ILE H CB 1 ATOM 366 C CG1 . ILE A 1 48 ? -27.759 5.740 -26.201 1.00 17.47 ? 48 ILE H CG1 1 ATOM 367 C CG2 . ILE A 1 48 ? -28.590 6.624 -28.393 1.00 23.38 ? 48 ILE H CG2 1 ATOM 368 C CD1 . ILE A 1 48 ? -26.942 4.662 -26.879 1.00 25.53 ? 48 ILE H CD1 1 ATOM 369 N N . GLY A 1 49 ? -31.994 6.995 -27.018 1.00 26.43 ? 49 GLY H N 1 ATOM 370 C CA . GLY A 1 49 ? -33.215 7.313 -27.733 1.00 23.61 ? 49 GLY H CA 1 ATOM 371 C C . GLY A 1 49 ? -34.176 6.142 -27.773 1.00 22.98 ? 49 GLY H C 1 ATOM 372 O O . GLY A 1 49 ? -33.864 5.051 -27.293 1.00 27.11 ? 49 GLY H O 1 ATOM 373 N N . TYR A 1 50 ? -35.355 6.372 -28.341 1.00 19.85 ? 50 TYR H N 1 ATOM 374 C CA . TYR A 1 50 ? -36.341 5.315 -28.517 1.00 20.45 ? 50 TYR H CA 1 ATOM 375 C C . TYR A 1 50 ? -36.932 5.354 -29.922 1.00 22.80 ? 50 TYR H C 1 ATOM 376 O O . TYR A 1 50 ? -36.885 6.383 -30.595 1.00 25.85 ? 50 TYR H O 1 ATOM 377 C CB . TYR A 1 50 ? -37.447 5.417 -27.465 1.00 17.83 ? 50 TYR H CB 1 ATOM 378 C CG . TYR A 1 50 ? -38.236 6.705 -27.509 1.00 21.64 ? 50 TYR H CG 1 ATOM 379 C CD1 . TYR A 1 50 ? -39.373 6.817 -28.298 1.00 21.88 ? 50 TYR H CD1 1 ATOM 380 C CD2 . TYR A 1 50 ? -37.853 7.803 -26.750 1.00 20.40 ? 50 TYR H CD2 1 ATOM 381 C CE1 . TYR A 1 50 ? -40.104 7.991 -28.337 1.00 19.27 ? 50 TYR H CE1 1 ATOM 382 C CE2 . TYR A 1 50 ? -38.577 8.981 -26.781 1.00 22.35 ? 50 TYR H CE2 1 ATOM 383 C CZ . TYR A 1 50 ? -39.700 9.069 -27.577 1.00 21.60 ? 50 TYR H CZ 1 ATOM 384 O OH . TYR A 1 50 ? -40.426 10.238 -27.609 1.00 28.00 ? 50 TYR H OH 1 ATOM 385 N N . VAL A 1 51 ? -37.484 4.228 -30.359 1.00 26.71 ? 51 VAL H N 1 ATOM 386 C CA . VAL A 1 51 ? -38.045 4.121 -31.701 1.00 20.68 ? 51 VAL H CA 1 ATOM 387 C C . VAL A 1 51 ? -39.357 3.338 -31.689 1.00 16.59 ? 51 VAL H C 1 ATOM 388 O O . VAL A 1 51 ? -39.604 2.533 -30.791 1.00 23.46 ? 51 VAL H O 1 ATOM 389 C CB . VAL A 1 51 ? -37.047 3.454 -32.672 1.00 13.42 ? 51 VAL H CB 1 ATOM 390 C CG1 . VAL A 1 51 ? -36.740 2.037 -32.221 1.00 14.40 ? 51 VAL H CG1 1 ATOM 391 C CG2 . VAL A 1 51 ? -37.586 3.470 -34.100 1.00 14.77 ? 51 VAL H CG2 1 ATOM 392 N N . HIS A 1 52 ? -40.196 3.583 -32.689 1.00 26.56 ? 52 HIS H N 1 ATOM 393 C CA . HIS A 1 52 ? -41.489 2.915 -32.782 1.00 29.53 ? 52 HIS H CA 1 ATOM 394 C C . HIS A 1 52 ? -41.969 2.896 -34.231 1.00 22.63 ? 52 HIS H C 1 ATOM 395 O O . HIS A 1 52 ? -41.522 3.695 -35.053 1.00 28.50 ? 52 HIS H O 1 ATOM 396 C CB . HIS A 1 52 ? -42.512 3.612 -31.881 1.00 28.03 ? 52 HIS H CB 1 ATOM 397 C CG . HIS A 1 52 ? -43.790 2.853 -31.712 1.00 27.49 ? 52 HIS H CG 1 ATOM 398 N ND1 . HIS A 1 52 ? -44.995 3.300 -32.216 1.00 27.12 ? 52 HIS H ND1 1 ATOM 399 C CD2 . HIS A 1 52 ? -44.058 1.679 -31.092 1.00 29.22 ? 52 HIS H CD2 1 ATOM 400 C CE1 . HIS A 1 52 ? -45.945 2.436 -31.914 1.00 23.66 ? 52 HIS H CE1 1 ATOM 401 N NE2 . HIS A 1 52 ? -45.403 1.441 -31.232 1.00 23.47 ? 52 HIS H NE2 1 ATOM 402 N N . LYS A 1 53 ? -42.875 1.977 -34.542 1.00 25.10 ? 53 LYS H N 1 ATOM 403 C CA . LYS A 1 53 ? -43.351 1.814 -35.910 1.00 25.48 ? 53 LYS H CA 1 ATOM 404 C C . LYS A 1 53 ? -44.164 3.016 -36.375 1.00 21.20 ? 53 LYS H C 1 ATOM 405 O O . LYS A 1 53 ? -44.149 3.366 -37.553 1.00 31.96 ? 53 LYS H O 1 ATOM 406 C CB . LYS A 1 53 ? -44.182 0.536 -36.039 1.00 24.20 ? 53 LYS H CB 1 ATOM 407 C CG . LYS A 1 53 ? -45.407 0.504 -35.144 1.00 24.54 ? 53 LYS H CG 1 ATOM 408 C CD . LYS A 1 53 ? -46.170 -0.798 -35.302 1.00 30.69 ? 53 LYS H CD 1 ATOM 409 C CE . LYS A 1 53 ? -47.383 -0.832 -34.391 1.00 32.60 ? 53 LYS H CE 1 ATOM 410 N NZ . LYS A 1 53 ? -48.187 -2.070 -34.583 1.00 38.73 ? 53 LYS H NZ 1 ATOM 411 N N . SER A 1 54 ? -44.871 3.645 -35.441 1.00 28.72 ? 54 SER H N 1 ATOM 412 C CA . SER A 1 54 ? -45.753 4.760 -35.768 1.00 32.22 ? 54 SER H CA 1 ATOM 413 C C . SER A 1 54 ? -44.978 6.001 -36.196 1.00 34.65 ? 54 SER H C 1 ATOM 414 O O . SER A 1 54 ? -45.546 6.930 -36.769 1.00 33.14 ? 54 SER H O 1 ATOM 415 C CB . SER A 1 54 ? -46.645 5.100 -34.572 1.00 29.99 ? 54 SER H CB 1 ATOM 416 O OG . SER A 1 54 ? -45.869 5.560 -33.479 1.00 29.13 ? 54 SER H OG 1 ATOM 417 N N . GLY A 1 55 ? -43.679 6.010 -35.914 1.00 30.69 ? 55 GLY H N 1 ATOM 418 C CA . GLY A 1 55 ? -42.852 7.172 -36.179 1.00 19.00 ? 55 GLY H CA 1 ATOM 419 C C . GLY A 1 55 ? -42.674 8.012 -34.929 1.00 21.23 ? 55 GLY H C 1 ATOM 420 O O . GLY A 1 55 ? -42.113 9.106 -34.979 1.00 27.24 ? 55 GLY H O 1 ATOM 421 N N . ASP A 1 56 ? -43.162 7.498 -33.804 1.00 20.64 ? 56 ASP H N 1 ATOM 422 C CA . ASP A 1 56 ? -42.892 8.089 -32.500 1.00 24.95 ? 56 ASP H CA 1 ATOM 423 C C . ASP A 1 56 ? -41.451 7.737 -32.151 1.00 25.22 ? 56 ASP H C 1 ATOM 424 O O . ASP A 1 56 ? -41.171 6.650 -31.647 1.00 25.62 ? 56 ASP H O 1 ATOM 425 C CB . ASP A 1 56 ? -43.864 7.544 -31.452 1.00 24.57 ? 56 ASP H CB 1 ATOM 426 C CG . ASP A 1 56 ? -43.875 8.370 -30.177 1.00 25.86 ? 56 ASP H CG 1 ATOM 427 O OD1 . ASP A 1 56 ? -42.978 9.222 -30.011 1.00 38.27 ? 56 ASP H OD1 1 ATOM 428 O OD2 . ASP A 1 56 ? -44.777 8.166 -29.338 1.00 26.01 ? 56 ASP H OD2 1 ATOM 429 N N . THR A 1 57 ? -40.539 8.663 -32.429 1.00 23.35 ? 57 THR H N 1 ATOM 430 C CA . THR A 1 57 ? -39.112 8.403 -32.291 1.00 24.40 ? 57 THR H CA 1 ATOM 431 C C . THR A 1 57 ? -38.355 9.673 -31.917 1.00 27.55 ? 57 THR H C 1 ATOM 432 O O . THR A 1 57 ? -38.502 10.707 -32.570 1.00 30.66 ? 57 THR H O 1 ATOM 433 C CB . THR A 1 57 ? -38.506 7.830 -33.585 1.00 30.94 ? 57 THR H CB 1 ATOM 434 O OG1 . THR A 1 57 ? -39.231 6.656 -33.975 1.00 40.97 ? 57 THR H OG1 1 ATOM 435 C CG2 . THR A 1 57 ? -37.036 7.484 -33.387 1.00 27.05 ? 57 THR H CG2 1 ATOM 436 N N . ASN A 1 58 ? -37.546 9.590 -30.865 1.00 16.47 ? 58 ASN H N 1 ATOM 437 C CA . ASN A 1 58 ? -36.715 10.716 -30.444 1.00 26.28 ? 58 ASN H CA 1 ATOM 438 C C . ASN A 1 58 ? -35.350 10.290 -29.910 1.00 22.71 ? 58 ASN H C 1 ATOM 439 O O . ASN A 1 58 ? -35.200 9.201 -29.358 1.00 19.38 ? 58 ASN H O 1 ATOM 440 C CB . ASN A 1 58 ? -37.444 11.580 -29.411 1.00 24.80 ? 58 ASN H CB 1 ATOM 441 C CG . ASN A 1 58 ? -38.572 12.389 -30.020 1.00 19.02 ? 58 ASN H CG 1 ATOM 442 O OD1 . ASN A 1 58 ? -38.337 13.295 -30.816 1.00 15.40 ? 58 ASN H OD1 1 ATOM 443 N ND2 . ASN A 1 58 ? -39.805 12.067 -29.645 1.00 15.76 ? 58 ASN H ND2 1 ATOM 444 N N . TYR A 1 59 ? -34.361 11.161 -30.075 1.00 19.30 ? 59 TYR H N 1 ATOM 445 C CA . TYR A 1 59 ? -32.996 10.871 -29.656 1.00 20.58 ? 59 TYR H CA 1 ATOM 446 C C . TYR A 1 59 ? -32.526 11.852 -28.587 1.00 26.59 ? 59 TYR H C 1 ATOM 447 O O . TYR A 1 59 ? -33.094 12.931 -28.428 1.00 33.87 ? 59 TYR H O 1 ATOM 448 C CB . TYR A 1 59 ? -32.049 10.946 -30.854 1.00 19.34 ? 59 TYR H CB 1 ATOM 449 C CG . TYR A 1 59 ? -32.450 10.078 -32.022 1.00 20.72 ? 59 TYR H CG 1 ATOM 450 C CD1 . TYR A 1 59 ? -33.080 8.857 -31.823 1.00 26.58 ? 59 TYR H CD1 1 ATOM 451 C CD2 . TYR A 1 59 ? -32.198 10.481 -33.327 1.00 27.54 ? 59 TYR H CD2 1 ATOM 452 C CE1 . TYR A 1 59 ? -33.447 8.060 -32.892 1.00 27.54 ? 59 TYR H CE1 1 ATOM 453 C CE2 . TYR A 1 59 ? -32.560 9.691 -34.402 1.00 28.51 ? 59 TYR H CE2 1 ATOM 454 C CZ . TYR A 1 59 ? -33.185 8.482 -34.178 1.00 23.74 ? 59 TYR H CZ 1 ATOM 455 O OH . TYR A 1 59 ? -33.546 7.695 -35.246 1.00 29.75 ? 59 TYR H OH 1 ATOM 456 N N . SER A 1 60 ? -31.482 11.473 -27.860 1.00 34.66 ? 60 SER H N 1 ATOM 457 C CA . SER A 1 60 ? -30.873 12.365 -26.884 1.00 26.22 ? 60 SER H CA 1 ATOM 458 C C . SER A 1 60 ? -30.318 13.602 -27.581 1.00 26.97 ? 60 SER H C 1 ATOM 459 O O . SER A 1 60 ? -29.711 13.495 -28.645 1.00 29.69 ? 60 SER H O 1 ATOM 460 C CB . SER A 1 60 ? -29.750 11.646 -26.137 1.00 21.92 ? 60 SER H CB 1 ATOM 461 O OG . SER A 1 60 ? -29.096 12.524 -25.241 1.00 38.95 ? 60 SER H OG 1 ATOM 462 N N . PRO A 1 61 ? -30.528 14.783 -26.983 1.00 30.53 ? 61 PRO H N 1 ATOM 463 C CA . PRO A 1 61 ? -30.015 16.035 -27.548 1.00 37.21 ? 61 PRO H CA 1 ATOM 464 C C . PRO A 1 61 ? -28.514 15.967 -27.832 1.00 30.01 ? 61 PRO H C 1 ATOM 465 O O . PRO A 1 61 ? -28.053 16.513 -28.833 1.00 27.69 ? 61 PRO H O 1 ATOM 466 C CB . PRO A 1 61 ? -30.299 17.056 -26.443 1.00 31.27 ? 61 PRO H CB 1 ATOM 467 C CG . PRO A 1 61 ? -31.479 16.499 -25.721 1.00 27.66 ? 61 PRO H CG 1 ATOM 468 C CD . PRO A 1 61 ? -31.302 15.007 -25.748 1.00 28.63 ? 61 PRO H CD 1 ATOM 469 N N . SER A 1 62 ? -27.767 15.290 -26.966 1.00 25.88 ? 62 SER H N 1 ATOM 470 C CA . SER A 1 62 ? -26.314 15.229 -27.098 1.00 29.53 ? 62 SER H CA 1 ATOM 471 C C . SER A 1 62 ? -25.843 14.284 -28.204 1.00 34.36 ? 62 SER H C 1 ATOM 472 O O . SER A 1 62 ? -24.684 14.337 -28.619 1.00 29.00 ? 62 SER H O 1 ATOM 473 C CB . SER A 1 62 ? -25.669 14.835 -25.767 1.00 25.52 ? 62 SER H CB 1 ATOM 474 O OG . SER A 1 62 ? -25.998 13.504 -25.413 1.00 36.37 ? 62 SER H OG 1 ATOM 475 N N . LEU A 1 63 ? -26.741 13.426 -28.683 1.00 26.49 ? 63 LEU H N 1 ATOM 476 C CA . LEU A 1 63 ? -26.377 12.430 -29.687 1.00 27.86 ? 63 LEU H CA 1 ATOM 477 C C . LEU A 1 63 ? -27.220 12.518 -30.959 1.00 26.62 ? 63 LEU H C 1 ATOM 478 O O . LEU A 1 63 ? -26.948 11.821 -31.937 1.00 22.06 ? 63 LEU H O 1 ATOM 479 C CB . LEU A 1 63 ? -26.475 11.019 -29.096 1.00 26.39 ? 63 LEU H CB 1 ATOM 480 C CG . LEU A 1 63 ? -25.463 10.660 -28.005 1.00 28.48 ? 63 LEU H CG 1 ATOM 481 C CD1 . LEU A 1 63 ? -25.794 9.317 -27.369 1.00 14.45 ? 63 LEU H CD1 1 ATOM 482 C CD2 . LEU A 1 63 ? -24.054 10.653 -28.573 1.00 15.74 ? 63 LEU H CD2 1 ATOM 483 N N . LYS A 1 64 ? -28.235 13.377 -30.942 1.00 23.28 ? 64 LYS H N 1 ATOM 484 C CA . LYS A 1 64 ? -29.196 13.466 -32.043 1.00 22.77 ? 64 LYS H CA 1 ATOM 485 C C . LYS A 1 64 ? -28.547 13.659 -33.410 1.00 24.37 ? 64 LYS H C 1 ATOM 486 O O . LYS A 1 64 ? -29.068 13.194 -34.423 1.00 23.02 ? 64 LYS H O 1 ATOM 487 C CB . LYS A 1 64 ? -30.207 14.590 -31.789 1.00 20.88 ? 64 LYS H CB 1 ATOM 488 C CG . LYS A 1 64 ? -29.578 15.954 -31.552 0.00 21.76 ? 64 LYS H CG 1 ATOM 489 C CD . LYS A 1 64 ? -30.642 17.036 -31.457 0.00 22.16 ? 64 LYS H CD 1 ATOM 490 C CE . LYS A 1 64 ? -30.034 18.382 -31.099 0.00 23.14 ? 64 LYS H CE 1 ATOM 491 N NZ . LYS A 1 64 ? -31.062 19.459 -31.080 0.00 23.63 ? 64 LYS H NZ 1 ATOM 492 N N . SER A 1 65 ? -27.413 14.348 -33.438 1.00 20.01 ? 65 SER H N 1 ATOM 493 C CA . SER A 1 65 ? -26.755 14.667 -34.699 1.00 20.20 ? 65 SER H CA 1 ATOM 494 C C . SER A 1 65 ? -26.022 13.474 -35.318 1.00 25.15 ? 65 SER H C 1 ATOM 495 O O . SER A 1 65 ? -25.664 13.506 -36.495 1.00 21.57 ? 65 SER H O 1 ATOM 496 C CB . SER A 1 65 ? -25.784 15.834 -34.508 1.00 22.01 ? 65 SER H CB 1 ATOM 497 O OG . SER A 1 65 ? -24.796 15.518 -33.542 1.00 30.59 ? 65 SER H OG 1 ATOM 498 N N . ARG A 1 66 ? -25.802 12.423 -34.535 1.00 19.48 ? 66 ARG H N 1 ATOM 499 C CA . ARG A 1 66 ? -24.990 11.304 -35.005 1.00 19.74 ? 66 ARG H CA 1 ATOM 500 C C . ARG A 1 66 ? -25.707 9.956 -34.979 1.00 22.95 ? 66 ARG H C 1 ATOM 501 O O . ARG A 1 66 ? -25.230 8.988 -35.569 1.00 19.57 ? 66 ARG H O 1 ATOM 502 C CB . ARG A 1 66 ? -23.698 11.208 -34.189 1.00 19.50 ? 66 ARG H CB 1 ATOM 503 C CG . ARG A 1 66 ? -22.915 12.509 -34.121 1.00 29.63 ? 66 ARG H CG 1 ATOM 504 C CD . ARG A 1 66 ? -21.535 12.304 -33.518 1.00 20.27 ? 66 ARG H CD 1 ATOM 505 N NE . ARG A 1 66 ? -21.588 11.893 -32.118 1.00 19.05 ? 66 ARG H NE 1 ATOM 506 C CZ . ARG A 1 66 ? -20.953 10.833 -31.629 1.00 18.50 ? 66 ARG H CZ 1 ATOM 507 N NH1 . ARG A 1 66 ? -20.218 10.072 -32.428 1.00 19.04 ? 66 ARG H NH1 1 ATOM 508 N NH2 . ARG A 1 66 ? -21.052 10.535 -30.340 1.00 25.19 ? 66 ARG H NH2 1 ATOM 509 N N . VAL A 1 67 ? -26.848 9.891 -34.299 1.00 22.38 ? 67 VAL H N 1 ATOM 510 C CA . VAL A 1 67 ? -27.506 8.605 -34.070 1.00 25.54 ? 67 VAL H CA 1 ATOM 511 C C . VAL A 1 67 ? -28.698 8.324 -34.979 1.00 23.50 ? 67 VAL H C 1 ATOM 512 O O . VAL A 1 67 ? -29.431 9.229 -35.378 1.00 25.49 ? 67 VAL H O 1 ATOM 513 C CB . VAL A 1 67 ? -27.952 8.436 -32.602 1.00 23.48 ? 67 VAL H CB 1 ATOM 514 C CG1 . VAL A 1 67 ? -26.746 8.422 -31.685 1.00 37.15 ? 67 VAL H CG1 1 ATOM 515 C CG2 . VAL A 1 67 ? -28.927 9.536 -32.206 1.00 27.69 ? 67 VAL H CG2 1 ATOM 516 N N . ASN A 1 68 ? -28.872 7.044 -35.291 1.00 25.11 ? 68 ASN H N 1 ATOM 517 C CA . ASN A 1 68 ? -30.009 6.561 -36.058 1.00 30.29 ? 68 ASN H CA 1 ATOM 518 C C . ASN A 1 68 ? -30.507 5.255 -35.458 1.00 29.34 ? 68 ASN H C 1 ATOM 519 O O . ASN A 1 68 ? -29.773 4.269 -35.406 1.00 27.54 ? 68 ASN H O 1 ATOM 520 C CB . ASN A 1 68 ? -29.618 6.357 -37.526 1.00 39.06 ? 68 ASN H CB 1 ATOM 521 C CG . ASN A 1 68 ? -30.336 5.177 -38.172 1.00 58.89 ? 68 ASN H CG 1 ATOM 522 O OD1 . ASN A 1 68 ? -31.500 4.899 -37.878 1.00 66.21 ? 68 ASN H OD1 1 ATOM 523 N ND2 . ASN A 1 68 ? -29.636 4.475 -39.059 1.00 62.97 ? 68 ASN H ND2 1 ATOM 524 N N . LEU A 1 69 ? -31.751 5.258 -34.992 1.00 28.49 ? 69 LEU H N 1 ATOM 525 C CA . LEU A 1 69 ? -32.387 4.046 -34.493 1.00 21.23 ? 69 LEU H CA 1 ATOM 526 C C . LEU A 1 69 ? -33.434 3.588 -35.494 1.00 27.30 ? 69 LEU H C 1 ATOM 527 O O . LEU A 1 69 ? -34.277 4.373 -35.923 1.00 34.47 ? 69 LEU H O 1 ATOM 528 C CB . LEU A 1 69 ? -33.045 4.298 -33.137 1.00 22.53 ? 69 LEU H CB 1 ATOM 529 C CG . LEU A 1 69 ? -32.140 4.819 -32.022 1.00 24.07 ? 69 LEU H CG 1 ATOM 530 C CD1 . LEU A 1 69 ? -32.925 4.970 -30.728 1.00 31.19 ? 69 LEU H CD1 1 ATOM 531 C CD2 . LEU A 1 69 ? -30.956 3.892 -31.832 1.00 23.50 ? 69 LEU H CD2 1 ATOM 532 N N . SER A 1 70 ? -33.381 2.316 -35.867 1.00 19.39 ? 70 SER H N 1 ATOM 533 C CA . SER A 1 70 ? -34.300 1.793 -36.868 1.00 27.64 ? 70 SER H CA 1 ATOM 534 C C . SER A 1 70 ? -34.926 0.477 -36.430 1.00 30.39 ? 70 SER H C 1 ATOM 535 O O . SER A 1 70 ? -34.415 -0.205 -35.543 1.00 36.12 ? 70 SER H O 1 ATOM 536 C CB . SER A 1 70 ? -33.586 1.617 -38.210 1.00 21.86 ? 70 SER H CB 1 ATOM 537 O OG . SER A 1 70 ? -32.479 0.742 -38.082 1.00 41.25 ? 70 SER H OG 1 ATOM 538 N N . LEU A 1 71 ? -36.042 0.133 -37.060 1.00 32.77 ? 71 LEU H N 1 ATOM 539 C CA . LEU A 1 71 ? -36.734 -1.115 -36.778 1.00 34.55 ? 71 LEU H CA 1 ATOM 540 C C . LEU A 1 71 ? -36.716 -2.007 -38.010 1.00 23.99 ? 71 LEU H C 1 ATOM 541 O O . LEU A 1 71 ? -37.077 -1.575 -39.103 1.00 31.40 ? 71 LEU H O 1 ATOM 542 C CB . LEU A 1 71 ? -38.177 -0.840 -36.350 1.00 21.99 ? 71 LEU H CB 1 ATOM 543 C CG . LEU A 1 71 ? -38.397 -0.273 -34.946 1.00 23.52 ? 71 LEU H CG 1 ATOM 544 C CD1 . LEU A 1 71 ? -39.842 0.167 -34.769 1.00 21.81 ? 71 LEU H CD1 1 ATOM 545 C CD2 . LEU A 1 71 ? -38.020 -1.301 -33.890 1.00 21.78 ? 71 LEU H CD2 1 ATOM 546 N N . ASP A 1 72 ? -36.283 -3.249 -37.833 1.00 29.74 ? 72 ASP H N 1 ATOM 547 C CA . ASP A 1 72 ? -36.294 -4.215 -38.923 1.00 29.05 ? 72 ASP H CA 1 ATOM 548 C C . ASP A 1 72 ? -37.342 -5.287 -38.646 1.00 31.03 ? 72 ASP H C 1 ATOM 549 O O . ASP A 1 72 ? -37.060 -6.294 -37.994 1.00 27.48 ? 72 ASP H O 1 ATOM 550 C CB . ASP A 1 72 ? -34.913 -4.848 -39.100 1.00 26.90 ? 72 ASP H CB 1 ATOM 551 C CG . ASP A 1 72 ? -34.758 -5.547 -40.439 1.00 51.63 ? 72 ASP H CG 1 ATOM 552 O OD1 . ASP A 1 72 ? -35.782 -5.966 -41.020 1.00 46.57 ? 72 ASP H OD1 1 ATOM 553 O OD2 . ASP A 1 72 ? -33.609 -5.675 -40.911 1.00 57.05 ? 72 ASP H OD2 1 ATOM 554 N N . THR A 1 73 ? -38.555 -5.055 -39.138 1.00 28.88 ? 73 THR H N 1 ATOM 555 C CA . THR A 1 73 ? -39.667 -5.972 -38.917 1.00 31.45 ? 73 THR H CA 1 ATOM 556 C C . THR A 1 73 ? -39.340 -7.377 -39.414 1.00 38.80 ? 73 THR H C 1 ATOM 557 O O . THR A 1 73 ? -39.629 -8.366 -38.738 1.00 48.00 ? 73 THR H O 1 ATOM 558 C CB . THR A 1 73 ? -40.948 -5.479 -39.615 1.00 33.00 ? 73 THR H CB 1 ATOM 559 O OG1 . THR A 1 73 ? -40.768 -5.517 -41.036 1.00 42.14 ? 73 THR H OG1 1 ATOM 560 C CG2 . THR A 1 73 ? -41.272 -4.055 -39.189 1.00 35.76 ? 73 THR H CG2 1 ATOM 561 N N . SER A 1 74 ? -38.734 -7.458 -40.595 1.00 33.28 ? 74 SER H N 1 ATOM 562 C CA . SER A 1 74 ? -38.393 -8.743 -41.199 1.00 40.63 ? 74 SER H CA 1 ATOM 563 C C . SER A 1 74 ? -37.439 -9.552 -40.326 1.00 37.24 ? 74 SER H C 1 ATOM 564 O O . SER A 1 74 ? -37.590 -10.763 -40.183 1.00 40.84 ? 74 SER H O 1 ATOM 565 C CB . SER A 1 74 ? -37.779 -8.543 -42.587 1.00 35.38 ? 74 SER H CB 1 ATOM 566 O OG . SER A 1 74 ? -38.692 -7.907 -43.465 1.00 73.04 ? 74 SER H OG 1 ATOM 567 N N . LYS A 1 75 ? -36.453 -8.876 -39.748 1.00 32.59 ? 75 LYS H N 1 ATOM 568 C CA . LYS A 1 75 ? -35.454 -9.550 -38.929 1.00 31.24 ? 75 LYS H CA 1 ATOM 569 C C . LYS A 1 75 ? -35.753 -9.419 -37.440 1.00 37.86 ? 75 LYS H C 1 ATOM 570 O O . LYS A 1 75 ? -35.014 -9.937 -36.603 1.00 35.20 ? 75 LYS H O 1 ATOM 571 C CB . LYS A 1 75 ? -34.055 -9.019 -39.246 1.00 30.65 ? 75 LYS H CB 1 ATOM 572 C CG . LYS A 1 75 ? -33.628 -9.269 -40.683 1.00 55.52 ? 75 LYS H CG 1 ATOM 573 C CD . LYS A 1 75 ? -32.160 -8.946 -40.906 1.00 54.77 ? 75 LYS H CD 1 ATOM 574 C CE . LYS A 1 75 ? -31.705 -9.419 -42.280 1.00 65.96 ? 75 LYS H CE 1 ATOM 575 N NZ . LYS A 1 75 ? -30.242 -9.231 -42.489 1.00 71.25 ? 75 LYS H NZ 1 ATOM 576 N N . ASN A 1 76 ? -36.844 -8.731 -37.118 1.00 36.68 ? 76 ASN H N 1 ATOM 577 C CA . ASN A 1 76 ? -37.242 -8.521 -35.731 1.00 37.80 ? 76 ASN H CA 1 ATOM 578 C C . ASN A 1 76 ? -36.089 -7.969 -34.900 1.00 40.63 ? 76 ASN H C 1 ATOM 579 O O . ASN A 1 76 ? -35.872 -8.391 -33.764 1.00 44.57 ? 76 ASN H O 1 ATOM 580 C CB . ASN A 1 76 ? -37.749 -9.826 -35.115 1.00 28.51 ? 76 ASN H CB 1 ATOM 581 C CG . ASN A 1 76 ? -38.752 -9.595 -34.003 1.00 32.33 ? 76 ASN H CG 1 ATOM 582 O OD1 . ASN A 1 76 ? -39.668 -8.784 -34.140 1.00 34.20 ? 76 ASN H OD1 1 ATOM 583 N ND2 . ASN A 1 76 ? -38.584 -10.303 -32.893 1.00 27.62 ? 76 ASN H ND2 1 ATOM 584 N N . GLN A 1 77 ? -35.348 -7.028 -35.477 1.00 36.56 ? 77 GLN H N 1 ATOM 585 C CA . GLN A 1 77 ? -34.192 -6.448 -34.804 1.00 33.15 ? 77 GLN H CA 1 ATOM 586 C C . GLN A 1 77 ? -34.338 -4.946 -34.615 1.00 30.29 ? 77 GLN H C 1 ATOM 587 O O . GLN A 1 77 ? -34.942 -4.259 -35.439 1.00 37.43 ? 77 GLN H O 1 ATOM 588 C CB . GLN A 1 77 ? -32.910 -6.735 -35.589 1.00 39.07 ? 77 GLN H CB 1 ATOM 589 C CG . GLN A 1 77 ? -32.500 -8.193 -35.608 1.00 56.59 ? 77 GLN H CG 1 ATOM 590 C CD . GLN A 1 77 ? -31.307 -8.447 -36.509 1.00 62.48 ? 77 GLN H CD 1 ATOM 591 O OE1 . GLN A 1 77 ? -30.749 -7.518 -37.095 1.00 57.21 ? 77 GLN H OE1 1 ATOM 592 N NE2 . GLN A 1 77 ? -30.912 -9.711 -36.628 1.00 63.15 ? 77 GLN H NE2 1 ATOM 593 N N . VAL A 1 78 ? -33.778 -4.445 -33.520 1.00 31.12 ? 78 VAL H N 1 ATOM 594 C CA . VAL A 1 78 ? -33.693 -3.013 -33.287 1.00 19.95 ? 78 VAL H CA 1 ATOM 595 C C . VAL A 1 78 ? -32.263 -2.583 -33.577 1.00 26.34 ? 78 VAL H C 1 ATOM 596 O O . VAL A 1 78 ? -31.314 -3.183 -33.073 1.00 28.15 ? 78 VAL H O 1 ATOM 597 C CB . VAL A 1 78 ? -34.054 -2.652 -31.837 1.00 23.90 ? 78 VAL H CB 1 ATOM 598 C CG1 . VAL A 1 78 ? -34.189 -1.148 -31.687 1.00 17.89 ? 78 VAL H CG1 1 ATOM 599 C CG2 . VAL A 1 78 ? -35.343 -3.347 -31.424 1.00 28.96 ? 78 VAL H CG2 1 ATOM 600 N N . SER A 1 79 ? -32.107 -1.551 -34.398 1.00 28.07 ? 79 SER H N 1 ATOM 601 C CA . SER A 1 79 ? -30.782 -1.133 -34.838 1.00 23.20 ? 79 SER H CA 1 ATOM 602 C C . SER A 1 79 ? -30.339 0.194 -34.232 1.00 18.68 ? 79 SER H C 1 ATOM 603 O O . SER A 1 79 ? -31.155 1.082 -33.991 1.00 22.99 ? 79 SER H O 1 ATOM 604 C CB . SER A 1 79 ? -30.738 -1.047 -36.364 1.00 39.13 ? 79 SER H CB 1 ATOM 605 O OG . SER A 1 79 ? -29.495 -0.535 -36.809 1.00 58.95 ? 79 SER H OG 1 ATOM 606 N N . LEU A 1 80 ? -29.039 0.313 -33.985 1.00 22.63 ? 80 LEU H N 1 ATOM 607 C CA . LEU A 1 80 ? -28.440 1.575 -33.565 1.00 17.68 ? 80 LEU H CA 1 ATOM 608 C C . LEU A 1 80 ? -27.246 1.905 -34.447 1.00 20.94 ? 80 LEU H C 1 ATOM 609 O O . LEU A 1 80 ? -26.375 1.065 -34.671 1.00 18.85 ? 80 LEU H O 1 ATOM 610 C CB . LEU A 1 80 ? -28.006 1.529 -32.099 1.00 27.15 ? 80 LEU H CB 1 ATOM 611 C CG . LEU A 1 80 ? -27.150 2.719 -31.647 1.00 32.18 ? 80 LEU H CG 1 ATOM 612 C CD1 . LEU A 1 80 ? -27.792 4.026 -32.073 1.00 37.15 ? 80 LEU H CD1 1 ATOM 613 C CD2 . LEU A 1 80 ? -26.932 2.705 -30.142 1.00 29.96 ? 80 LEU H CD2 1 ATOM 614 N N . SER A 1 81 ? -27.211 3.132 -34.949 1.00 18.58 ? 81 SER H N 1 ATOM 615 C CA . SER A 1 81 ? -26.102 3.581 -35.776 1.00 22.50 ? 81 SER H CA 1 ATOM 616 C C . SER A 1 81 ? -25.569 4.913 -35.260 1.00 23.50 ? 81 SER H C 1 ATOM 617 O O . SER A 1 81 ? -26.326 5.866 -35.079 1.00 22.81 ? 81 SER H O 1 ATOM 618 C CB . SER A 1 81 ? -26.542 3.710 -37.235 1.00 20.74 ? 81 SER H CB 1 ATOM 619 O OG . SER A 1 81 ? -25.455 4.081 -38.062 1.00 38.29 ? 81 SER H OG 1 ATOM 620 N N . LEU A 1 82 ? -24.263 4.969 -35.020 1.00 24.71 ? 82 LEU H N 1 ATOM 621 C CA . LEU A 1 82 ? -23.633 6.173 -34.487 1.00 21.63 ? 82 LEU H CA 1 ATOM 622 C C . LEU A 1 82 ? -22.424 6.582 -35.328 1.00 19.81 ? 82 LEU H C 1 ATOM 623 O O . LEU A 1 82 ? -21.352 5.988 -35.227 1.00 19.98 ? 82 LEU H O 1 ATOM 624 C CB . LEU A 1 82 ? -23.225 5.963 -33.025 1.00 21.20 ? 82 LEU H CB 1 ATOM 625 C CG . LEU A 1 82 ? -22.642 7.175 -32.294 1.00 26.59 ? 82 LEU H CG 1 ATOM 626 C CD1 . LEU A 1 82 ? -23.668 8.294 -32.189 1.00 17.21 ? 82 LEU H CD1 1 ATOM 627 C CD2 . LEU A 1 82 ? -22.127 6.785 -30.916 1.00 18.70 ? 82 LEU H CD2 1 ATOM 628 N N . VAL A 1 83 A -22.612 7.603 -36.157 1.00 20.68 ? 82 VAL H N 1 ATOM 629 C CA . VAL A 1 83 A -21.570 8.081 -37.059 1.00 22.03 ? 82 VAL H CA 1 ATOM 630 C C . VAL A 1 83 A -20.393 8.699 -36.310 1.00 21.87 ? 82 VAL H C 1 ATOM 631 O O . VAL A 1 83 A -20.550 9.212 -35.202 1.00 21.05 ? 82 VAL H O 1 ATOM 632 C CB . VAL A 1 83 A -22.126 9.138 -38.038 1.00 30.02 ? 82 VAL H CB 1 ATOM 633 C CG1 . VAL A 1 83 A -21.045 9.586 -39.004 1.00 37.95 ? 82 VAL H CG1 1 ATOM 634 C CG2 . VAL A 1 83 A -23.321 8.589 -38.793 1.00 25.81 ? 82 VAL H CG2 1 ATOM 635 N N . ALA A 1 84 B -19.217 8.650 -36.928 1.00 24.73 ? 82 ALA H N 1 ATOM 636 C CA . ALA A 1 84 B -18.029 9.306 -36.389 1.00 28.15 ? 82 ALA H CA 1 ATOM 637 C C . ALA A 1 84 B -17.725 8.879 -34.958 1.00 25.20 ? 82 ALA H C 1 ATOM 638 O O . ALA A 1 84 B -17.613 9.716 -34.063 1.00 29.55 ? 82 ALA H O 1 ATOM 639 C CB . ALA A 1 84 B -18.183 10.820 -36.468 1.00 23.77 ? 82 ALA H CB 1 ATOM 640 N N . ALA A 1 85 C -17.586 7.575 -34.750 1.00 32.88 ? 82 ALA H N 1 ATOM 641 C CA . ALA A 1 85 C -17.312 7.039 -33.423 1.00 23.30 ? 82 ALA H CA 1 ATOM 642 C C . ALA A 1 85 C -15.919 7.427 -32.943 1.00 24.78 ? 82 ALA H C 1 ATOM 643 O O . ALA A 1 85 C -14.974 7.470 -33.730 1.00 24.64 ? 82 ALA H O 1 ATOM 644 C CB . ALA A 1 85 C -17.470 5.527 -33.423 1.00 25.00 ? 82 ALA H CB 1 ATOM 645 N N . THR A 1 86 ? -15.801 7.715 -31.649 1.00 25.32 ? 83 THR H N 1 ATOM 646 C CA . THR A 1 86 ? -14.507 7.991 -31.030 1.00 25.17 ? 83 THR H CA 1 ATOM 647 C C . THR A 1 86 ? -14.409 7.259 -29.698 1.00 30.64 ? 83 THR H C 1 ATOM 648 O O . THR A 1 86 ? -15.351 6.582 -29.286 1.00 33.32 ? 83 THR H O 1 ATOM 649 C CB . THR A 1 86 ? -14.298 9.494 -30.777 1.00 26.11 ? 83 THR H CB 1 ATOM 650 O OG1 . THR A 1 86 ? -15.143 9.926 -29.703 1.00 29.65 ? 83 THR H OG1 1 ATOM 651 C CG2 . THR A 1 86 ? -14.610 10.299 -32.031 1.00 21.40 ? 83 THR H CG2 1 ATOM 652 N N . ALA A 1 87 ? -13.269 7.399 -29.027 1.00 25.86 ? 84 ALA H N 1 ATOM 653 C CA . ALA A 1 87 ? -13.072 6.779 -27.722 1.00 29.63 ? 84 ALA H CA 1 ATOM 654 C C . ALA A 1 87 ? -14.130 7.254 -26.728 1.00 27.40 ? 84 ALA H C 1 ATOM 655 O O . ALA A 1 87 ? -14.429 6.572 -25.751 1.00 30.41 ? 84 ALA H O 1 ATOM 656 C CB . ALA A 1 87 ? -11.672 7.074 -27.197 1.00 30.61 ? 84 ALA H CB 1 ATOM 657 N N . ALA A 1 88 ? -14.695 8.428 -26.989 1.00 17.25 ? 85 ALA H N 1 ATOM 658 C CA . ALA A 1 88 ? -15.741 8.983 -26.138 1.00 23.63 ? 85 ALA H CA 1 ATOM 659 C C . ALA A 1 88 ? -17.041 8.191 -26.249 1.00 21.63 ? 85 ALA H C 1 ATOM 660 O O . ALA A 1 88 ? -17.926 8.315 -25.401 1.00 24.53 ? 85 ALA H O 1 ATOM 661 C CB . ALA A 1 88 ? -15.984 10.444 -26.485 1.00 17.52 ? 85 ALA H CB 1 ATOM 662 N N . ASP A 1 89 ? -17.158 7.387 -27.301 1.00 21.87 ? 86 ASP H N 1 ATOM 663 C CA . ASP A 1 89 ? -18.355 6.580 -27.510 1.00 25.71 ? 86 ASP H CA 1 ATOM 664 C C . ASP A 1 89 ? -18.166 5.161 -26.985 1.00 25.19 ? 86 ASP H C 1 ATOM 665 O O . ASP A 1 89 ? -19.067 4.325 -27.084 1.00 14.62 ? 86 ASP H O 1 ATOM 666 C CB . ASP A 1 89 ? -18.748 6.557 -28.989 1.00 24.08 ? 86 ASP H CB 1 ATOM 667 C CG . ASP A 1 89 ? -19.108 7.933 -29.515 1.00 22.78 ? 86 ASP H CG 1 ATOM 668 O OD1 . ASP A 1 89 ? -20.127 8.494 -29.062 1.00 23.08 ? 86 ASP H OD1 1 ATOM 669 O OD2 . ASP A 1 89 ? -18.376 8.453 -30.383 1.00 20.14 ? 86 ASP H OD2 1 ATOM 670 N N . SER A 1 90 ? -16.990 4.894 -26.427 1.00 19.05 ? 87 SER H N 1 ATOM 671 C CA . SER A 1 90 ? -16.724 3.603 -25.803 1.00 19.35 ? 87 SER H CA 1 ATOM 672 C C . SER A 1 90 ? -17.578 3.435 -24.551 1.00 20.64 ? 87 SER H C 1 ATOM 673 O O . SER A 1 90 ? -17.959 4.416 -23.911 1.00 26.16 ? 87 SER H O 1 ATOM 674 C CB . SER A 1 90 ? -15.242 3.467 -25.452 1.00 17.55 ? 87 SER H CB 1 ATOM 675 O OG . SER A 1 90 ? -14.440 3.479 -26.620 1.00 21.81 ? 87 SER H OG 1 ATOM 676 N N . GLY A 1 91 ? -17.877 2.187 -24.209 1.00 26.28 ? 88 GLY H N 1 ATOM 677 C CA . GLY A 1 91 ? -18.701 1.887 -23.053 1.00 22.45 ? 88 GLY H CA 1 ATOM 678 C C . GLY A 1 91 ? -19.605 0.697 -23.305 1.00 18.90 ? 88 GLY H C 1 ATOM 679 O O . GLY A 1 91 ? -19.373 -0.078 -24.231 1.00 13.35 ? 88 GLY H O 1 ATOM 680 N N . LYS A 1 92 ? -20.640 0.554 -22.484 1.00 17.14 ? 89 LYS H N 1 ATOM 681 C CA . LYS A 1 92 ? -21.569 -0.563 -22.616 1.00 21.12 ? 89 LYS H CA 1 ATOM 682 C C . LYS A 1 92 ? -22.944 -0.097 -23.084 1.00 16.55 ? 89 LYS H C 1 ATOM 683 O O . LYS A 1 92 ? -23.524 0.831 -22.518 1.00 17.96 ? 89 LYS H O 1 ATOM 684 C CB . LYS A 1 92 ? -21.685 -1.317 -21.292 1.00 24.72 ? 89 LYS H CB 1 ATOM 685 C CG . LYS A 1 92 ? -22.315 -2.688 -21.423 1.00 27.74 ? 89 LYS H CG 1 ATOM 686 C CD . LYS A 1 92 ? -21.993 -3.549 -20.217 1.00 32.58 ? 89 LYS H CD 1 ATOM 687 C CE . LYS A 1 92 ? -22.345 -5.003 -20.473 1.00 40.15 ? 89 LYS H CE 1 ATOM 688 N NZ . LYS A 1 92 ? -21.847 -5.889 -19.385 1.00 41.84 ? 89 LYS H NZ 1 ATOM 689 N N . TYR A 1 93 ? -23.462 -0.751 -24.118 1.00 17.08 ? 90 TYR H N 1 ATOM 690 C CA . TYR A 1 93 ? -24.722 -0.348 -24.730 1.00 13.29 ? 90 TYR H CA 1 ATOM 691 C C . TYR A 1 93 ? -25.848 -1.323 -24.423 1.00 25.52 ? 90 TYR H C 1 ATOM 692 O O . TYR A 1 93 ? -25.677 -2.536 -24.529 1.00 23.22 ? 90 TYR H O 1 ATOM 693 C CB . TYR A 1 93 ? -24.549 -0.194 -26.242 1.00 15.68 ? 90 TYR H CB 1 ATOM 694 C CG . TYR A 1 93 ? -23.736 1.018 -26.623 1.00 21.82 ? 90 TYR H CG 1 ATOM 695 C CD1 . TYR A 1 93 ? -22.390 1.107 -26.290 1.00 19.14 ? 90 TYR H CD1 1 ATOM 696 C CD2 . TYR A 1 93 ? -24.313 2.078 -27.308 1.00 13.91 ? 90 TYR H CD2 1 ATOM 697 C CE1 . TYR A 1 93 ? -21.643 2.216 -26.628 1.00 19.50 ? 90 TYR H CE1 1 ATOM 698 C CE2 . TYR A 1 93 ? -23.574 3.191 -27.652 1.00 16.30 ? 90 TYR H CE2 1 ATOM 699 C CZ . TYR A 1 93 ? -22.240 3.255 -27.310 1.00 20.57 ? 90 TYR H CZ 1 ATOM 700 O OH . TYR A 1 93 ? -21.500 4.363 -27.651 1.00 19.72 ? 90 TYR H OH 1 ATOM 701 N N . TYR A 1 94 ? -27.002 -0.781 -24.045 1.00 13.38 ? 91 TYR H N 1 ATOM 702 C CA . TYR A 1 94 ? -28.160 -1.597 -23.715 1.00 17.34 ? 91 TYR H CA 1 ATOM 703 C C . TYR A 1 94 ? -29.323 -1.346 -24.668 1.00 28.74 ? 91 TYR H C 1 ATOM 704 O O . TYR A 1 94 ? -29.585 -0.209 -25.068 1.00 23.96 ? 91 TYR H O 1 ATOM 705 C CB . TYR A 1 94 ? -28.628 -1.323 -22.284 1.00 19.67 ? 91 TYR H CB 1 ATOM 706 C CG . TYR A 1 94 ? -27.607 -1.620 -21.208 1.00 28.75 ? 91 TYR H CG 1 ATOM 707 C CD1 . TYR A 1 94 ? -26.696 -0.652 -20.799 1.00 30.22 ? 91 TYR H CD1 1 ATOM 708 C CD2 . TYR A 1 94 ? -27.565 -2.862 -20.588 1.00 23.44 ? 91 TYR H CD2 1 ATOM 709 C CE1 . TYR A 1 94 ? -25.767 -0.917 -19.809 1.00 23.85 ? 91 TYR H CE1 1 ATOM 710 C CE2 . TYR A 1 94 ? -26.643 -3.135 -19.598 1.00 22.91 ? 91 TYR H CE2 1 ATOM 711 C CZ . TYR A 1 94 ? -25.746 -2.162 -19.212 1.00 27.86 ? 91 TYR H CZ 1 ATOM 712 O OH . TYR A 1 94 ? -24.826 -2.439 -18.227 1.00 30.35 ? 91 TYR H OH 1 ATOM 713 N N . CYS A 1 95 ? -30.013 -2.423 -25.023 1.00 25.33 ? 92 CYS H N 1 ATOM 714 C CA . CYS A 1 95 ? -31.288 -2.345 -25.719 1.00 28.10 ? 92 CYS H CA 1 ATOM 715 C C . CYS A 1 95 ? -32.376 -2.760 -24.731 1.00 31.81 ? 92 CYS H C 1 ATOM 716 O O . CYS A 1 95 ? -32.175 -3.680 -23.938 1.00 30.97 ? 92 CYS H O 1 ATOM 717 C CB . CYS A 1 95 ? -31.280 -3.275 -26.934 1.00 31.65 ? 92 CYS H CB 1 ATOM 718 S SG . CYS A 1 95 ? -32.877 -3.503 -27.740 1.00 69.45 ? 92 CYS H SG 1 ATOM 719 N N . ALA A 1 96 ? -33.520 -2.082 -24.766 1.00 28.83 ? 93 ALA H N 1 ATOM 720 C CA . ALA A 1 96 ? -34.601 -2.380 -23.825 1.00 23.36 ? 93 ALA H CA 1 ATOM 721 C C . ALA A 1 96 ? -35.990 -2.117 -24.400 1.00 19.82 ? 93 ALA H C 1 ATOM 722 O O . ALA A 1 96 ? -36.205 -1.133 -25.104 1.00 20.41 ? 93 ALA H O 1 ATOM 723 C CB . ALA A 1 96 ? -34.410 -1.596 -22.532 1.00 15.06 ? 93 ALA H CB 1 ATOM 724 N N . ARG A 1 97 ? -36.932 -3.002 -24.089 1.00 18.71 ? 94 ARG H N 1 ATOM 725 C CA . ARG A 1 97 ? -38.322 -2.804 -24.478 1.00 24.81 ? 94 ARG H CA 1 ATOM 726 C C . ARG A 1 97 ? -38.919 -1.682 -23.633 1.00 30.04 ? 94 ARG H C 1 ATOM 727 O O . ARG A 1 97 ? -38.838 -1.710 -22.404 1.00 16.78 ? 94 ARG H O 1 ATOM 728 C CB . ARG A 1 97 ? -39.122 -4.099 -24.309 1.00 18.53 ? 94 ARG H CB 1 ATOM 729 C CG . ARG A 1 97 ? -40.483 -4.092 -24.998 1.00 28.88 ? 94 ARG H CG 1 ATOM 730 C CD . ARG A 1 97 ? -41.543 -3.378 -24.170 1.00 27.69 ? 94 ARG H CD 1 ATOM 731 N NE . ARG A 1 97 ? -41.927 -4.157 -22.997 1.00 28.59 ? 94 ARG H NE 1 ATOM 732 C CZ . ARG A 1 97 ? -42.890 -5.074 -22.985 1.00 24.53 ? 94 ARG H CZ 1 ATOM 733 N NH1 . ARG A 1 97 ? -43.582 -5.336 -24.087 1.00 21.85 ? 94 ARG H NH1 1 ATOM 734 N NH2 . ARG A 1 97 ? -43.162 -5.731 -21.867 1.00 24.88 ? 94 ARG H NH2 1 ATOM 735 N N . THR A 1 98 ? -39.513 -0.695 -24.297 1.00 31.87 ? 95 THR H N 1 ATOM 736 C CA . THR A 1 98 ? -39.991 0.506 -23.620 1.00 16.14 ? 95 THR H CA 1 ATOM 737 C C . THR A 1 98 ? -41.513 0.586 -23.563 1.00 21.43 ? 95 THR H C 1 ATOM 738 O O . THR A 1 98 ? -42.194 0.470 -24.582 1.00 25.02 ? 95 THR H O 1 ATOM 739 C CB . THR A 1 98 ? -39.444 1.775 -24.300 1.00 15.42 ? 95 THR H CB 1 ATOM 740 O OG1 . THR A 1 98 ? -38.012 1.726 -24.319 1.00 14.97 ? 95 THR H OG1 1 ATOM 741 C CG2 . THR A 1 98 ? -39.901 3.024 -23.560 1.00 15.10 ? 95 THR H CG2 1 ATOM 742 N N . LEU A 1 99 ? -42.037 0.783 -22.359 1.00 20.31 ? 96 LEU H N 1 ATOM 743 C CA . LEU A 1 99 ? -43.468 0.972 -22.160 1.00 19.86 ? 96 LEU H CA 1 ATOM 744 C C . LEU A 1 99 ? -43.753 2.444 -21.882 1.00 28.02 ? 96 LEU H C 1 ATOM 745 O O . LEU A 1 99 ? -42.832 3.231 -21.661 1.00 25.35 ? 96 LEU H O 1 ATOM 746 C CB . LEU A 1 99 ? -43.967 0.110 -20.998 1.00 18.38 ? 96 LEU H CB 1 ATOM 747 C CG . LEU A 1 99 ? -43.776 -1.405 -21.127 1.00 30.07 ? 96 LEU H CG 1 ATOM 748 C CD1 . LEU A 1 99 ? -44.141 -2.102 -19.827 1.00 20.06 ? 96 LEU H CD1 1 ATOM 749 C CD2 . LEU A 1 99 ? -44.590 -1.965 -22.287 1.00 22.47 ? 96 LEU H CD2 1 ATOM 750 N N . HIS A 1 100 ? -45.028 2.816 -21.892 1.00 19.79 ? 97 HIS H N 1 ATOM 751 C CA . HIS A 1 100 ? -45.402 4.201 -21.647 1.00 17.09 ? 97 HIS H CA 1 ATOM 752 C C . HIS A 1 100 ? -46.743 4.327 -20.933 1.00 28.72 ? 97 HIS H C 1 ATOM 753 O O . HIS A 1 100 ? -47.587 3.434 -20.998 1.00 25.94 ? 97 HIS H O 1 ATOM 754 C CB . HIS A 1 100 ? -45.426 4.989 -22.958 1.00 22.16 ? 97 HIS H CB 1 ATOM 755 C CG . HIS A 1 100 ? -46.301 4.383 -24.010 1.00 30.00 ? 97 HIS H CG 1 ATOM 756 N ND1 . HIS A 1 100 ? -47.670 4.543 -24.024 1.00 32.79 ? 97 HIS H ND1 1 ATOM 757 C CD2 . HIS A 1 100 ? -46.000 3.612 -25.082 1.00 25.79 ? 97 HIS H CD2 1 ATOM 758 C CE1 . HIS A 1 100 ? -48.174 3.899 -25.062 1.00 32.84 ? 97 HIS H CE1 1 ATOM 759 N NE2 . HIS A 1 100 ? -47.182 3.326 -25.719 1.00 31.71 ? 97 HIS H NE2 1 ATOM 760 N N . GLY A 1 101 ? -46.919 5.449 -20.245 1.00 28.00 ? 98 GLY H N 1 ATOM 761 C CA . GLY A 1 101 ? -48.166 5.762 -19.576 1.00 22.39 ? 98 GLY H CA 1 ATOM 762 C C . GLY A 1 101 ? -48.387 7.260 -19.594 1.00 25.70 ? 98 GLY H C 1 ATOM 763 O O . GLY A 1 101 ? -47.516 8.016 -20.027 1.00 21.16 ? 98 GLY H O 1 ATOM 764 N N . ARG A 1 102 ? -49.550 7.696 -19.125 1.00 29.12 ? 99 ARG H N 1 ATOM 765 C CA . ARG A 1 102 ? -49.859 9.117 -19.088 1.00 31.89 ? 99 ARG H CA 1 ATOM 766 C C . ARG A 1 102 ? -50.040 9.621 -17.663 1.00 32.47 ? 99 ARG H C 1 ATOM 767 O O . ARG A 1 102 ? -50.911 9.150 -16.931 1.00 30.48 ? 99 ARG H O 1 ATOM 768 C CB . ARG A 1 102 ? -51.112 9.419 -19.908 1.00 30.92 ? 99 ARG H CB 1 ATOM 769 C CG . ARG A 1 102 ? -50.966 9.135 -21.389 1.00 34.19 ? 99 ARG H CG 1 ATOM 770 C CD . ARG A 1 102 ? -52.176 9.635 -22.155 1.00 38.64 ? 99 ARG H CD 1 ATOM 771 N NE . ARG A 1 102 ? -52.061 9.378 -23.587 1.00 43.66 ? 99 ARG H NE 1 ATOM 772 C CZ . ARG A 1 102 ? -52.939 9.797 -24.492 1.00 48.56 ? 99 ARG H CZ 1 ATOM 773 N NH1 . ARG A 1 102 ? -53.999 10.497 -24.113 1.00 50.17 ? 99 ARG H NH1 1 ATOM 774 N NH2 . ARG A 1 102 ? -52.757 9.520 -25.776 1.00 50.37 ? 99 ARG H NH2 1 ATOM 775 N N . ARG A 1 103 ? -49.208 10.579 -17.273 1.00 23.81 ? 100 ARG H N 1 ATOM 776 C CA . ARG A 1 103 ? -49.377 11.247 -15.995 1.00 22.74 ? 100 ARG H CA 1 ATOM 777 C C . ARG A 1 103 ? -50.405 12.358 -16.152 1.00 23.26 ? 100 ARG H C 1 ATOM 778 O O . ARG A 1 103 ? -50.097 13.436 -16.658 1.00 20.80 ? 100 ARG H O 1 ATOM 779 C CB . ARG A 1 103 ? -48.048 11.819 -15.500 1.00 28.30 ? 100 ARG H CB 1 ATOM 780 C CG . ARG A 1 103 ? -48.130 12.496 -14.139 1.00 31.39 ? 100 ARG H CG 1 ATOM 781 C CD . ARG A 1 103 ? -48.570 11.523 -13.048 1.00 24.94 ? 100 ARG H CD 1 ATOM 782 N NE . ARG A 1 103 ? -48.581 12.150 -11.727 1.00 23.15 ? 100 ARG H NE 1 ATOM 783 C CZ . ARG A 1 103 ? -49.658 12.678 -11.153 1.00 25.37 ? 100 ARG H CZ 1 ATOM 784 N NH1 . ARG A 1 103 ? -50.831 12.649 -11.774 1.00 24.30 ? 100 ARG H NH1 1 ATOM 785 N NH2 . ARG A 1 103 ? -49.564 13.234 -9.953 1.00 25.56 ? 100 ARG H NH2 1 ATOM 786 N N . ILE A 1 104 A -51.634 12.081 -15.730 1.00 30.85 ? 100 ILE H N 1 ATOM 787 C CA . ILE A 1 104 A -52.709 13.062 -15.801 1.00 26.86 ? 100 ILE H CA 1 ATOM 788 C C . ILE A 1 104 A -52.896 13.727 -14.441 1.00 27.64 ? 100 ILE H C 1 ATOM 789 O O . ILE A 1 104 A -53.351 13.098 -13.489 1.00 24.11 ? 100 ILE H O 1 ATOM 790 C CB . ILE A 1 104 A -54.029 12.414 -16.270 1.00 28.40 ? 100 ILE H CB 1 ATOM 791 C CG1 . ILE A 1 104 A -53.816 11.687 -17.602 1.00 30.91 ? 100 ILE H CG1 1 ATOM 792 C CG2 . ILE A 1 104 A -55.127 13.459 -16.401 1.00 22.71 ? 100 ILE H CG2 1 ATOM 793 C CD1 . ILE A 1 104 A -55.048 10.970 -18.121 1.00 34.36 ? 100 ILE H CD1 1 ATOM 794 N N . TYR A 1 105 B -52.529 15.002 -14.354 1.00 27.95 ? 100 TYR H N 1 ATOM 795 C CA . TYR A 1 105 B -52.574 15.725 -13.087 1.00 27.64 ? 100 TYR H CA 1 ATOM 796 C C . TYR A 1 105 B -53.566 16.886 -13.112 1.00 31.28 ? 100 TYR H C 1 ATOM 797 O O . TYR A 1 105 B -53.716 17.604 -12.125 1.00 41.84 ? 100 TYR H O 1 ATOM 798 C CB . TYR A 1 105 B -51.190 16.283 -12.742 1.00 26.11 ? 100 TYR H CB 1 ATOM 799 C CG . TYR A 1 105 B -50.572 17.101 -13.853 1.00 32.01 ? 100 TYR H CG 1 ATOM 800 C CD1 . TYR A 1 105 B -49.829 16.494 -14.858 1.00 25.05 ? 100 TYR H CD1 1 ATOM 801 C CD2 . TYR A 1 105 B -50.733 18.479 -13.898 1.00 35.92 ? 100 TYR H CD2 1 ATOM 802 C CE1 . TYR A 1 105 B -49.264 17.237 -15.876 1.00 29.10 ? 100 TYR H CE1 1 ATOM 803 C CE2 . TYR A 1 105 B -50.171 19.230 -14.910 1.00 30.57 ? 100 TYR H CE2 1 ATOM 804 C CZ . TYR A 1 105 B -49.439 18.607 -15.896 1.00 30.90 ? 100 TYR H CZ 1 ATOM 805 O OH . TYR A 1 105 B -48.883 19.362 -16.903 1.00 34.36 ? 100 TYR H OH 1 ATOM 806 N N . GLY A 1 106 C -54.240 17.059 -14.246 1.00 30.87 ? 100 GLY H N 1 ATOM 807 C CA . GLY A 1 106 C -55.283 18.062 -14.387 1.00 31.82 ? 100 GLY H CA 1 ATOM 808 C C . GLY A 1 106 C -56.299 17.655 -15.439 1.00 42.37 ? 100 GLY H C 1 ATOM 809 O O . GLY A 1 106 C -56.491 16.466 -15.694 1.00 42.41 ? 100 GLY H O 1 ATOM 810 N N . ILE A 1 107 D -56.956 18.635 -16.053 1.00 49.58 ? 100 ILE H N 1 ATOM 811 C CA . ILE A 1 107 D -57.892 18.343 -17.136 1.00 50.39 ? 100 ILE H CA 1 ATOM 812 C C . ILE A 1 107 D -57.141 18.045 -18.429 1.00 46.54 ? 100 ILE H C 1 ATOM 813 O O . ILE A 1 107 D -56.301 18.831 -18.868 1.00 22.03 ? 100 ILE H O 1 ATOM 814 C CB . ILE A 1 107 D -58.890 19.494 -17.382 1.00 54.67 ? 100 ILE H CB 1 ATOM 815 C CG1 . ILE A 1 107 D -59.884 19.608 -16.223 1.00 57.57 ? 100 ILE H CG1 1 ATOM 816 C CG2 . ILE A 1 107 D -59.643 19.272 -18.685 1.00 54.13 ? 100 ILE H CG2 1 ATOM 817 C CD1 . ILE A 1 107 D -59.372 20.409 -15.049 1.00 58.65 ? 100 ILE H CD1 1 ATOM 818 N N . VAL A 1 108 E -57.452 16.903 -19.035 1.00 38.32 ? 100 VAL H N 1 ATOM 819 C CA . VAL A 1 108 E -56.781 16.472 -20.257 1.00 42.56 ? 100 VAL H CA 1 ATOM 820 C C . VAL A 1 108 E -56.873 17.511 -21.373 1.00 45.31 ? 100 VAL H C 1 ATOM 821 O O . VAL A 1 108 E -55.944 17.662 -22.167 1.00 46.00 ? 100 VAL H O 1 ATOM 822 C CB . VAL A 1 108 E -57.334 15.119 -20.756 1.00 39.15 ? 100 VAL H CB 1 ATOM 823 C CG1 . VAL A 1 108 E -56.932 14.874 -22.204 1.00 41.35 ? 100 VAL H CG1 1 ATOM 824 C CG2 . VAL A 1 108 E -56.851 13.989 -19.858 1.00 27.72 ? 100 VAL H CG2 1 ATOM 825 N N . ALA A 1 109 F -57.991 18.229 -21.427 1.00 39.98 ? 100 ALA H N 1 ATOM 826 C CA . ALA A 1 109 F -58.202 19.232 -22.466 1.00 33.67 ? 100 ALA H CA 1 ATOM 827 C C . ALA A 1 109 F -57.318 20.460 -22.257 1.00 33.27 ? 100 ALA H C 1 ATOM 828 O O . ALA A 1 109 F -57.091 21.235 -23.186 1.00 40.53 ? 100 ALA H O 1 ATOM 829 C CB . ALA A 1 109 F -59.669 19.633 -22.532 1.00 35.94 ? 100 ALA H CB 1 ATOM 830 N N . PHE A 1 110 G -56.822 20.630 -21.035 1.00 34.94 ? 100 PHE H N 1 ATOM 831 C CA . PHE A 1 110 G -55.935 21.745 -20.717 1.00 29.52 ? 100 PHE H CA 1 ATOM 832 C C . PHE A 1 110 G -54.467 21.370 -20.887 1.00 43.43 ? 100 PHE H C 1 ATOM 833 O O . PHE A 1 110 G -53.579 22.096 -20.437 1.00 52.02 ? 100 PHE H O 1 ATOM 834 C CB . PHE A 1 110 G -56.176 22.240 -19.291 1.00 35.58 ? 100 PHE H CB 1 ATOM 835 C CG . PHE A 1 110 G -57.438 23.034 -19.130 1.00 55.16 ? 100 PHE H CG 1 ATOM 836 C CD1 . PHE A 1 110 G -58.403 23.036 -20.123 1.00 56.70 ? 100 PHE H CD1 1 ATOM 837 C CD2 . PHE A 1 110 G -57.652 23.794 -17.991 1.00 60.94 ? 100 PHE H CD2 1 ATOM 838 C CE1 . PHE A 1 110 G -59.564 23.772 -19.980 1.00 52.27 ? 100 PHE H CE1 1 ATOM 839 C CE2 . PHE A 1 110 G -58.811 24.533 -17.842 1.00 54.60 ? 100 PHE H CE2 1 ATOM 840 C CZ . PHE A 1 110 G -59.768 24.522 -18.838 1.00 47.61 ? 100 PHE H CZ 1 ATOM 841 N N . ASN A 1 111 H -54.216 20.238 -21.535 1.00 41.88 ? 100 ASN H N 1 ATOM 842 C CA . ASN A 1 111 H -52.852 19.753 -21.726 1.00 39.93 ? 100 ASN H CA 1 ATOM 843 C C . ASN A 1 111 H -52.146 19.481 -20.400 1.00 34.52 ? 100 ASN H C 1 ATOM 844 O O . ASN A 1 111 H -50.917 19.505 -20.327 1.00 34.72 ? 100 ASN H O 1 ATOM 845 C CB . ASN A 1 111 H -52.036 20.751 -22.552 1.00 38.11 ? 100 ASN H CB 1 ATOM 846 C CG . ASN A 1 111 H -52.594 20.949 -23.949 1.00 46.46 ? 100 ASN H CG 1 ATOM 847 O OD1 . ASN A 1 111 H -52.932 19.987 -24.639 1.00 47.33 ? 100 ASN H OD1 1 ATOM 848 N ND2 . ASN A 1 111 H -52.697 22.205 -24.372 1.00 44.67 ? 100 ASN H ND2 1 ATOM 849 N N . GLU A 1 112 I -52.926 19.224 -19.356 1.00 33.27 ? 100 GLU H N 1 ATOM 850 C CA . GLU A 1 112 I -52.370 18.983 -18.029 1.00 30.69 ? 100 GLU H CA 1 ATOM 851 C C . GLU A 1 112 I -52.052 17.506 -17.829 1.00 35.10 ? 100 GLU H C 1 ATOM 852 O O . GLU A 1 112 I -52.625 16.838 -16.967 1.00 32.78 ? 100 GLU H O 1 ATOM 853 C CB . GLU A 1 112 I -53.325 19.486 -16.947 1.00 29.80 ? 100 GLU H CB 1 ATOM 854 C CG . GLU A 1 112 I -53.673 20.959 -17.088 1.00 39.16 ? 100 GLU H CG 1 ATOM 855 C CD . GLU A 1 112 I -54.494 21.482 -15.928 1.00 50.32 ? 100 GLU H CD 1 ATOM 856 O OE1 . GLU A 1 112 I -55.659 21.056 -15.778 1.00 50.92 ? 100 GLU H OE1 1 ATOM 857 O OE2 . GLU A 1 112 I -53.969 22.321 -15.166 1.00 55.26 ? 100 GLU H OE2 1 ATOM 858 N N . TRP A 1 113 J -51.126 17.009 -18.641 1.00 35.00 ? 100 TRP H N 1 ATOM 859 C CA . TRP A 1 113 J -50.726 15.613 -18.609 1.00 31.99 ? 100 TRP H CA 1 ATOM 860 C C . TRP A 1 113 J -49.510 15.437 -19.505 1.00 29.04 ? 100 TRP H C 1 ATOM 861 O O . TRP A 1 113 J -49.254 16.263 -20.377 1.00 27.34 ? 100 TRP H O 1 ATOM 862 C CB . TRP A 1 113 J -51.867 14.717 -19.098 1.00 19.39 ? 100 TRP H CB 1 ATOM 863 C CG . TRP A 1 113 J -52.183 14.883 -20.557 1.00 31.59 ? 100 TRP H CG 1 ATOM 864 C CD1 . TRP A 1 113 J -53.082 15.749 -21.109 1.00 32.89 ? 100 TRP H CD1 1 ATOM 865 C CD2 . TRP A 1 113 J -51.600 14.161 -21.650 1.00 31.06 ? 100 TRP H CD2 1 ATOM 866 N NE1 . TRP A 1 113 J -53.095 15.612 -22.476 1.00 25.71 ? 100 TRP H NE1 1 ATOM 867 C CE2 . TRP A 1 113 J -52.195 14.643 -22.834 1.00 25.47 ? 100 TRP H CE2 1 ATOM 868 C CE3 . TRP A 1 113 J -50.635 13.155 -21.743 1.00 37.02 ? 100 TRP H CE3 1 ATOM 869 C CZ2 . TRP A 1 113 J -51.854 14.155 -24.094 1.00 28.55 ? 100 TRP H CZ2 1 ATOM 870 C CZ3 . TRP A 1 113 J -50.298 12.670 -22.995 1.00 41.27 ? 100 TRP H CZ3 1 ATOM 871 C CH2 . TRP A 1 113 J -50.907 13.170 -24.153 1.00 39.67 ? 100 TRP H CH2 1 ATOM 872 N N . PHE A 1 114 K -48.759 14.365 -19.288 1.00 25.93 ? 100 PHE H N 1 ATOM 873 C CA . PHE A 1 114 K -47.614 14.068 -20.137 1.00 26.88 ? 100 PHE H CA 1 ATOM 874 C C . PHE A 1 114 K -47.384 12.567 -20.236 1.00 24.74 ? 100 PHE H C 1 ATOM 875 O O . PHE A 1 114 K -47.796 11.807 -19.361 1.00 31.62 ? 100 PHE H O 1 ATOM 876 C CB . PHE A 1 114 K -46.351 14.766 -19.622 1.00 25.36 ? 100 PHE H CB 1 ATOM 877 C CG . PHE A 1 114 K -45.897 14.286 -18.274 1.00 22.17 ? 100 PHE H CG 1 ATOM 878 C CD1 . PHE A 1 114 K -45.263 13.063 -18.138 1.00 17.55 ? 100 PHE H CD1 1 ATOM 879 C CD2 . PHE A 1 114 K -46.093 15.063 -17.145 1.00 25.61 ? 100 PHE H CD2 1 ATOM 880 C CE1 . PHE A 1 114 K -44.841 12.617 -16.899 1.00 23.65 ? 100 PHE H CE1 1 ATOM 881 C CE2 . PHE A 1 114 K -45.671 14.625 -15.902 1.00 25.00 ? 100 PHE H CE2 1 ATOM 882 C CZ . PHE A 1 114 K -45.045 13.400 -15.779 1.00 18.62 ? 100 PHE H CZ 1 ATOM 883 N N . THR A 1 115 L -46.730 12.149 -21.312 1.00 25.15 ? 100 THR H N 1 ATOM 884 C CA . THR A 1 115 L -46.382 10.750 -21.508 1.00 22.46 ? 100 THR H CA 1 ATOM 885 C C . THR A 1 115 L -45.011 10.457 -20.913 1.00 15.90 ? 100 THR H C 1 ATOM 886 O O . THR A 1 115 L -44.059 11.201 -21.135 1.00 19.99 ? 100 THR H O 1 ATOM 887 C CB . THR A 1 115 L -46.368 10.388 -23.001 1.00 23.20 ? 100 THR H CB 1 ATOM 888 O OG1 . THR A 1 115 L -47.686 10.545 -23.542 1.00 28.83 ? 100 THR H OG1 1 ATOM 889 C CG2 . THR A 1 115 L -45.903 8.952 -23.204 1.00 21.02 ? 100 THR H CG2 1 ATOM 890 N N . TYR A 1 116 M -44.915 9.376 -20.148 1.00 16.16 ? 100 TYR H N 1 ATOM 891 C CA . TYR A 1 116 M -43.629 8.938 -19.618 1.00 26.13 ? 100 TYR H CA 1 ATOM 892 C C . TYR A 1 116 M -43.264 7.565 -20.168 1.00 29.12 ? 100 TYR H C 1 ATOM 893 O O . TYR A 1 116 M -44.138 6.741 -20.433 1.00 31.60 ? 100 TYR H O 1 ATOM 894 C CB . TYR A 1 116 M -43.634 8.930 -18.084 1.00 16.53 ? 100 TYR H CB 1 ATOM 895 C CG . TYR A 1 116 M -44.688 8.045 -17.454 1.00 19.43 ? 100 TYR H CG 1 ATOM 896 C CD1 . TYR A 1 116 M -45.959 8.534 -17.174 1.00 23.85 ? 100 TYR H CD1 1 ATOM 897 C CD2 . TYR A 1 116 M -44.408 6.724 -17.125 1.00 17.53 ? 100 TYR H CD2 1 ATOM 898 C CE1 . TYR A 1 116 M -46.923 7.729 -16.593 1.00 18.83 ? 100 TYR H CE1 1 ATOM 899 C CE2 . TYR A 1 116 M -45.365 5.913 -16.544 1.00 23.54 ? 100 TYR H CE2 1 ATOM 900 C CZ . TYR A 1 116 M -46.620 6.420 -16.280 1.00 24.99 ? 100 TYR H CZ 1 ATOM 901 O OH . TYR A 1 116 M -47.574 5.614 -15.702 1.00 29.76 ? 100 TYR H OH 1 ATOM 902 N N . PHE A 1 117 N -41.970 7.329 -20.351 1.00 30.29 ? 100 PHE H N 1 ATOM 903 C CA . PHE A 1 117 N -41.496 6.047 -20.855 1.00 23.86 ? 100 PHE H CA 1 ATOM 904 C C . PHE A 1 117 N -40.655 5.329 -19.811 1.00 25.50 ? 100 PHE H C 1 ATOM 905 O O . PHE A 1 117 N -39.860 5.951 -19.108 1.00 30.68 ? 100 PHE H O 1 ATOM 906 C CB . PHE A 1 117 N -40.678 6.234 -22.134 1.00 17.52 ? 100 PHE H CB 1 ATOM 907 C CG . PHE A 1 117 N -41.471 6.767 -23.290 1.00 18.68 ? 100 PHE H CG 1 ATOM 908 C CD1 . PHE A 1 117 N -42.201 5.911 -24.098 1.00 24.02 ? 100 PHE H CD1 1 ATOM 909 C CD2 . PHE A 1 117 N -41.480 8.122 -23.577 1.00 20.69 ? 100 PHE H CD2 1 ATOM 910 C CE1 . PHE A 1 117 N -42.932 6.396 -25.167 1.00 28.73 ? 100 PHE H CE1 1 ATOM 911 C CE2 . PHE A 1 117 N -42.209 8.615 -24.645 1.00 22.77 ? 100 PHE H CE2 1 ATOM 912 C CZ . PHE A 1 117 N -42.938 7.749 -25.441 1.00 25.01 ? 100 PHE H CZ 1 ATOM 913 N N . TYR A 1 118 O -40.834 4.016 -19.713 1.00 24.98 ? 100 TYR H N 1 ATOM 914 C CA . TYR A 1 118 O -40.030 3.208 -18.807 1.00 19.64 ? 100 TYR H CA 1 ATOM 915 C C . TYR A 1 118 O -39.637 1.865 -19.424 1.00 26.55 ? 100 TYR H C 1 ATOM 916 O O . TYR A 1 118 O -40.375 1.299 -20.229 1.00 21.90 ? 100 TYR H O 1 ATOM 917 C CB . TYR A 1 118 O -40.740 3.017 -17.465 1.00 17.16 ? 100 TYR H CB 1 ATOM 918 C CG . TYR A 1 118 O -42.150 2.480 -17.565 1.00 22.72 ? 100 TYR H CG 1 ATOM 919 C CD1 . TYR A 1 118 O -43.191 3.282 -18.014 1.00 20.03 ? 100 TYR H CD1 1 ATOM 920 C CD2 . TYR A 1 118 O -42.445 1.176 -17.187 1.00 18.19 ? 100 TYR H CD2 1 ATOM 921 C CE1 . TYR A 1 118 O -44.483 2.797 -18.098 1.00 29.27 ? 100 TYR H CE1 1 ATOM 922 C CE2 . TYR A 1 118 O -43.733 0.682 -17.266 1.00 25.45 ? 100 TYR H CE2 1 ATOM 923 C CZ . TYR A 1 118 O -44.748 1.496 -17.721 1.00 31.14 ? 100 TYR H CZ 1 ATOM 924 O OH . TYR A 1 118 O -46.031 1.006 -17.802 1.00 34.51 ? 100 TYR H OH 1 ATOM 925 N N . MET A 1 119 P -38.460 1.376 -19.043 1.00 24.27 ? 100 MET H N 1 ATOM 926 C CA . MET A 1 119 P -37.900 0.148 -19.598 1.00 19.35 ? 100 MET H CA 1 ATOM 927 C C . MET A 1 119 P -38.093 -1.040 -18.656 1.00 23.41 ? 100 MET H C 1 ATOM 928 O O . MET A 1 119 P -37.492 -1.090 -17.581 1.00 25.64 ? 100 MET H O 1 ATOM 929 C CB . MET A 1 119 P -36.407 0.336 -19.888 1.00 20.33 ? 100 MET H CB 1 ATOM 930 C CG . MET A 1 119 P -36.089 1.199 -21.105 1.00 25.74 ? 100 MET H CG 1 ATOM 931 S SD . MET A 1 119 P -36.613 2.921 -20.978 1.00 41.50 ? 100 MET H SD 1 ATOM 932 C CE . MET A 1 119 P -35.665 3.477 -19.568 1.00 44.66 ? 100 MET H CE 1 ATOM 933 N N . ASP A 1 120 ? -38.916 -2.002 -19.062 1.00 17.36 ? 101 ASP H N 1 ATOM 934 C CA . ASP A 1 120 ? -39.194 -3.159 -18.211 1.00 22.09 ? 101 ASP H CA 1 ATOM 935 C C . ASP A 1 120 ? -38.371 -4.395 -18.580 1.00 24.31 ? 101 ASP H C 1 ATOM 936 O O . ASP A 1 120 ? -38.256 -5.328 -17.785 1.00 34.47 ? 101 ASP H O 1 ATOM 937 C CB . ASP A 1 120 ? -40.689 -3.497 -18.213 1.00 19.38 ? 101 ASP H CB 1 ATOM 938 C CG . ASP A 1 120 ? -41.190 -3.929 -19.577 1.00 45.55 ? 101 ASP H CG 1 ATOM 939 O OD1 . ASP A 1 120 ? -40.701 -3.385 -20.589 1.00 44.90 ? 101 ASP H OD1 1 ATOM 940 O OD2 . ASP A 1 120 ? -42.071 -4.814 -19.637 1.00 42.11 ? 101 ASP H OD2 1 ATOM 941 N N . VAL A 1 121 ? -37.799 -4.398 -19.781 1.00 28.19 ? 102 VAL H N 1 ATOM 942 C CA . VAL A 1 121 ? -36.962 -5.511 -20.226 1.00 25.78 ? 102 VAL H CA 1 ATOM 943 C C . VAL A 1 121 ? -35.646 -5.016 -20.818 1.00 28.19 ? 102 VAL H C 1 ATOM 944 O O . VAL A 1 121 ? -35.627 -4.412 -21.890 1.00 30.74 ? 102 VAL H O 1 ATOM 945 C CB . VAL A 1 121 ? -37.685 -6.389 -21.269 1.00 28.18 ? 102 VAL H CB 1 ATOM 946 C CG1 . VAL A 1 121 ? -36.875 -7.650 -21.555 1.00 25.57 ? 102 VAL H CG1 1 ATOM 947 C CG2 . VAL A 1 121 ? -39.082 -6.748 -20.786 1.00 20.40 ? 102 VAL H CG2 1 ATOM 948 N N . TRP A 1 122 ? -34.548 -5.278 -20.115 1.00 27.15 ? 103 TRP H N 1 ATOM 949 C CA . TRP A 1 122 ? -33.222 -4.850 -20.553 1.00 21.87 ? 103 TRP H CA 1 ATOM 950 C C . TRP A 1 122 ? -32.394 -6.015 -21.078 1.00 21.89 ? 103 TRP H C 1 ATOM 951 O O . TRP A 1 122 ? -32.588 -7.160 -20.674 1.00 32.47 ? 103 TRP H O 1 ATOM 952 C CB . TRP A 1 122 ? -32.462 -4.205 -19.394 1.00 23.48 ? 103 TRP H CB 1 ATOM 953 C CG . TRP A 1 122 ? -33.024 -2.904 -18.935 1.00 22.63 ? 103 TRP H CG 1 ATOM 954 C CD1 . TRP A 1 122 ? -34.268 -2.682 -18.426 1.00 19.67 ? 103 TRP H CD1 1 ATOM 955 C CD2 . TRP A 1 122 ? -32.351 -1.641 -18.920 1.00 25.56 ? 103 TRP H CD2 1 ATOM 956 N NE1 . TRP A 1 122 ? -34.417 -1.356 -18.104 1.00 17.84 ? 103 TRP H NE1 1 ATOM 957 C CE2 . TRP A 1 122 ? -33.253 -0.695 -18.397 1.00 15.95 ? 103 TRP H CE2 1 ATOM 958 C CE3 . TRP A 1 122 ? -31.074 -1.216 -19.302 1.00 27.76 ? 103 TRP H CE3 1 ATOM 959 C CZ2 . TRP A 1 122 ? -32.921 0.648 -18.246 1.00 23.96 ? 103 TRP H CZ2 1 ATOM 960 C CZ3 . TRP A 1 122 ? -30.746 0.118 -19.153 1.00 26.05 ? 103 TRP H CZ3 1 ATOM 961 C CH2 . TRP A 1 122 ? -31.666 1.034 -18.629 1.00 30.33 ? 103 TRP H CH2 1 ATOM 962 N N . GLY A 1 123 ? -31.459 -5.714 -21.972 1.00 19.56 ? 104 GLY H N 1 ATOM 963 C CA . GLY A 1 123 ? -30.482 -6.697 -22.401 1.00 20.35 ? 104 GLY H CA 1 ATOM 964 C C . GLY A 1 123 ? -29.320 -6.669 -21.430 1.00 22.11 ? 104 GLY H C 1 ATOM 965 O O . GLY A 1 123 ? -29.269 -5.806 -20.558 1.00 22.04 ? 104 GLY H O 1 ATOM 966 N N . ASN A 1 124 ? -28.392 -7.609 -21.562 1.00 23.15 ? 105 ASN H N 1 ATOM 967 C CA . ASN A 1 124 ? -27.205 -7.607 -20.715 1.00 27.52 ? 105 ASN H CA 1 ATOM 968 C C . ASN A 1 124 ? -26.300 -6.436 -21.040 1.00 21.51 ? 105 ASN H C 1 ATOM 969 O O . ASN A 1 124 ? -25.511 -6.002 -20.205 1.00 23.09 ? 105 ASN H O 1 ATOM 970 C CB . ASN A 1 124 ? -26.409 -8.895 -20.894 1.00 31.90 ? 105 ASN H CB 1 ATOM 971 C CG . ASN A 1 124 ? -27.101 -10.088 -20.296 1.00 36.24 ? 105 ASN H CG 1 ATOM 972 O OD1 . ASN A 1 124 ? -27.935 -9.948 -19.402 1.00 38.98 ? 105 ASN H OD1 1 ATOM 973 N ND2 . ASN A 1 124 ? -26.754 -11.276 -20.776 1.00 43.33 ? 105 ASN H ND2 1 ATOM 974 N N . GLY A 1 125 ? -26.413 -5.942 -22.268 1.00 25.72 ? 106 GLY H N 1 ATOM 975 C CA . GLY A 1 125 ? -25.542 -4.891 -22.753 1.00 26.07 ? 106 GLY H CA 1 ATOM 976 C C . GLY A 1 125 ? -24.291 -5.480 -23.371 1.00 32.87 ? 106 GLY H C 1 ATOM 977 O O . GLY A 1 125 ? -23.811 -6.527 -22.937 1.00 44.46 ? 106 GLY H O 1 ATOM 978 N N . THR A 1 126 ? -23.771 -4.817 -24.397 1.00 25.45 ? 107 THR H N 1 ATOM 979 C CA . THR A 1 126 ? -22.523 -5.235 -25.021 1.00 23.25 ? 107 THR H CA 1 ATOM 980 C C . THR A 1 126 ? -21.469 -4.143 -24.878 1.00 33.25 ? 107 THR H C 1 ATOM 981 O O . THR A 1 126 ? -21.785 -2.952 -24.915 1.00 29.91 ? 107 THR H O 1 ATOM 982 C CB . THR A 1 126 ? -22.710 -5.569 -26.513 1.00 28.26 ? 107 THR H CB 1 ATOM 983 O OG1 . THR A 1 126 ? -21.454 -5.971 -27.073 1.00 27.49 ? 107 THR H OG1 1 ATOM 984 C CG2 . THR A 1 126 ? -23.234 -4.356 -27.274 1.00 20.74 ? 107 THR H CG2 1 ATOM 985 N N . GLN A 1 127 ? -20.216 -4.553 -24.713 1.00 38.51 ? 108 GLN H N 1 ATOM 986 C CA . GLN A 1 127 ? -19.127 -3.601 -24.537 1.00 32.01 ? 108 GLN H CA 1 ATOM 987 C C . GLN A 1 127 ? -18.591 -3.138 -25.884 1.00 26.57 ? 108 GLN H C 1 ATOM 988 O O . GLN A 1 127 ? -18.403 -3.941 -26.798 1.00 32.37 ? 108 GLN H O 1 ATOM 989 C CB . GLN A 1 127 ? -17.999 -4.216 -23.709 1.00 25.34 ? 108 GLN H CB 1 ATOM 990 C CG . GLN A 1 127 ? -16.983 -3.205 -23.210 1.00 13.40 ? 108 GLN H CG 1 ATOM 991 C CD . GLN A 1 127 ? -17.549 -2.302 -22.133 1.00 27.38 ? 108 GLN H CD 1 ATOM 992 O OE1 . GLN A 1 127 ? -18.386 -2.720 -21.334 1.00 35.71 ? 108 GLN H OE1 1 ATOM 993 N NE2 . GLN A 1 127 ? -17.099 -1.054 -22.111 1.00 26.99 ? 108 GLN H NE2 1 ATOM 994 N N . VAL A 1 128 ? -18.353 -1.837 -25.999 1.00 23.59 ? 109 VAL H N 1 ATOM 995 C CA . VAL A 1 128 ? -17.828 -1.257 -27.225 1.00 26.00 ? 109 VAL H CA 1 ATOM 996 C C . VAL A 1 128 ? -16.571 -0.446 -26.932 1.00 25.13 ? 109 VAL H C 1 ATOM 997 O O . VAL A 1 128 ? -16.606 0.516 -26.168 1.00 28.09 ? 109 VAL H O 1 ATOM 998 C CB . VAL A 1 128 ? -18.873 -0.353 -27.907 1.00 22.83 ? 109 VAL H CB 1 ATOM 999 C CG1 . VAL A 1 128 ? -18.318 0.224 -29.199 1.00 16.80 ? 109 VAL H CG1 1 ATOM 1000 C CG2 . VAL A 1 128 ? -20.153 -1.134 -28.173 1.00 22.13 ? 109 VAL H CG2 1 ATOM 1001 N N . THR A 1 129 ? -15.458 -0.850 -27.533 1.00 28.07 ? 110 THR H N 1 ATOM 1002 C CA . THR A 1 129 ? -14.212 -0.108 -27.404 1.00 30.12 ? 110 THR H CA 1 ATOM 1003 C C . THR A 1 129 ? -13.754 0.394 -28.769 1.00 30.69 ? 110 THR H C 1 ATOM 1004 O O . THR A 1 129 ? -13.441 -0.397 -29.659 1.00 28.34 ? 110 THR H O 1 ATOM 1005 C CB . THR A 1 129 ? -13.102 -0.962 -26.765 1.00 31.57 ? 110 THR H CB 1 ATOM 1006 O OG1 . THR A 1 129 ? -13.485 -1.321 -25.431 1.00 38.71 ? 110 THR H OG1 1 ATOM 1007 C CG2 . THR A 1 129 ? -11.797 -0.185 -26.715 1.00 33.25 ? 110 THR H CG2 1 ATOM 1008 N N . VAL A 1 130 ? -13.729 1.712 -28.929 1.00 28.02 ? 111 VAL H N 1 ATOM 1009 C CA . VAL A 1 130 ? -13.338 2.324 -30.193 1.00 29.05 ? 111 VAL H CA 1 ATOM 1010 C C . VAL A 1 130 ? -11.838 2.610 -30.231 1.00 32.68 ? 111 VAL H C 1 ATOM 1011 O O . VAL A 1 130 ? -11.335 3.423 -29.457 1.00 40.02 ? 111 VAL H O 1 ATOM 1012 C CB . VAL A 1 130 ? -14.114 3.630 -30.447 1.00 21.67 ? 111 VAL H CB 1 ATOM 1013 C CG1 . VAL A 1 130 ? -13.745 4.213 -31.803 1.00 26.12 ? 111 VAL H CG1 1 ATOM 1014 C CG2 . VAL A 1 130 ? -15.611 3.381 -30.360 1.00 18.06 ? 111 VAL H CG2 1 ATOM 1015 N N . SER A 1 131 ? -11.128 1.934 -31.130 1.00 27.08 ? 112 SER H N 1 ATOM 1016 C CA . SER A 1 131 ? -9.690 2.138 -31.278 1.00 30.88 ? 112 SER H CA 1 ATOM 1017 C C . SER A 1 131 ? -9.173 1.612 -32.614 1.00 35.18 ? 112 SER H C 1 ATOM 1018 O O . SER A 1 131 ? -9.881 0.908 -33.336 1.00 35.82 ? 112 SER H O 1 ATOM 1019 C CB . SER A 1 131 ? -8.930 1.466 -30.133 1.00 31.30 ? 112 SER H CB 1 ATOM 1020 O OG . SER A 1 131 ? -9.044 0.055 -30.202 1.00 33.08 ? 112 SER H OG 1 ATOM 1021 N N . SER A 1 132 ? -7.930 1.957 -32.933 1.00 33.21 ? 113 SER H N 1 ATOM 1022 C CA . SER A 1 132 ? -7.284 1.481 -34.148 1.00 34.01 ? 113 SER H CA 1 ATOM 1023 C C . SER A 1 132 ? -6.270 0.391 -33.815 1.00 37.44 ? 113 SER H C 1 ATOM 1024 O O . SER A 1 132 ? -5.320 0.162 -34.563 1.00 37.29 ? 113 SER H O 1 ATOM 1025 C CB . SER A 1 132 ? -6.589 2.639 -34.866 1.00 41.88 ? 113 SER H CB 1 ATOM 1026 O OG . SER A 1 132 ? -5.610 3.238 -34.034 1.00 53.72 ? 113 SER H OG 1 ATOM 1027 N N . ALA A 1 133 ? -6.486 -0.278 -32.686 1.00 39.48 ? 114 ALA H N 1 ATOM 1028 C CA . ALA A 1 133 ? -5.566 -1.300 -32.196 1.00 38.50 ? 114 ALA H CA 1 ATOM 1029 C C . ALA A 1 133 ? -5.279 -2.391 -33.223 1.00 39.82 ? 114 ALA H C 1 ATOM 1030 O O . ALA A 1 133 ? -6.192 -2.918 -33.860 1.00 38.94 ? 114 ALA H O 1 ATOM 1031 C CB . ALA A 1 133 ? -6.100 -1.914 -30.908 1.00 39.07 ? 114 ALA H CB 1 ATOM 1032 N N . SER A 1 134 ? -3.998 -2.722 -33.369 1.00 36.57 ? 115 SER H N 1 ATOM 1033 C CA . SER A 1 134 ? -3.555 -3.800 -34.245 1.00 41.82 ? 115 SER H CA 1 ATOM 1034 C C . SER A 1 134 ? -2.403 -4.548 -33.584 1.00 41.17 ? 115 SER H C 1 ATOM 1035 O O . SER A 1 134 ? -1.951 -4.169 -32.502 1.00 39.10 ? 115 SER H O 1 ATOM 1036 C CB . SER A 1 134 ? -3.111 -3.245 -35.598 1.00 48.26 ? 115 SER H CB 1 ATOM 1037 O OG . SER A 1 134 ? -2.047 -2.322 -35.437 1.00 55.94 ? 115 SER H OG 1 ATOM 1038 N N . THR A 1 135 ? -1.929 -5.605 -34.237 1.00 38.77 ? 116 THR H N 1 ATOM 1039 C CA . THR A 1 135 ? -0.858 -6.431 -33.686 1.00 34.42 ? 116 THR H CA 1 ATOM 1040 C C . THR A 1 135 ? 0.210 -5.506 -33.116 1.00 29.64 ? 116 THR H C 1 ATOM 1041 O O . THR A 1 135 ? 0.746 -4.654 -33.821 1.00 30.39 ? 116 THR H O 1 ATOM 1042 C CB . THR A 1 135 ? -0.293 -7.407 -34.736 1.00 39.02 ? 116 THR H CB 1 ATOM 1043 O OG1 . THR A 1 135 ? -1.338 -8.269 -35.204 1.00 41.13 ? 116 THR H OG1 1 ATOM 1044 C CG2 . THR A 1 135 ? 0.824 -8.252 -34.131 1.00 28.19 ? 116 THR H CG2 1 ATOM 1045 N N . LYS A 1 136 ? 0.513 -5.681 -31.834 1.00 25.04 ? 117 LYS H N 1 ATOM 1046 C CA . LYS A 1 136 ? 1.582 -4.930 -31.188 1.00 34.42 ? 117 LYS H CA 1 ATOM 1047 C C . LYS A 1 136 ? 2.196 -5.695 -30.019 1.00 33.31 ? 117 LYS H C 1 ATOM 1048 O O . LYS A 1 136 ? 1.483 -6.192 -29.146 1.00 33.06 ? 117 LYS H O 1 ATOM 1049 C CB . LYS A 1 136 ? 1.072 -3.569 -30.708 1.00 33.70 ? 117 LYS H CB 1 ATOM 1050 C CG . LYS A 1 136 ? 2.065 -2.832 -29.826 1.00 37.52 ? 117 LYS H CG 1 ATOM 1051 C CD . LYS A 1 136 ? 1.553 -1.462 -29.423 1.00 36.47 ? 117 LYS H CD 1 ATOM 1052 C CE . LYS A 1 136 ? 2.478 -0.821 -28.400 1.00 41.83 ? 117 LYS H CE 1 ATOM 1053 N NZ . LYS A 1 136 ? 3.902 -0.869 -28.833 1.00 47.55 ? 117 LYS H NZ 1 ATOM 1054 N N . GLY A 1 137 ? 3.523 -5.780 -30.011 1.00 28.56 ? 118 GLY H N 1 ATOM 1055 C CA . GLY A 1 137 ? 4.244 -6.430 -28.933 1.00 23.98 ? 118 GLY H CA 1 ATOM 1056 C C . GLY A 1 137 ? 4.208 -5.608 -27.661 1.00 37.61 ? 118 GLY H C 1 ATOM 1057 O O . GLY A 1 137 ? 4.059 -4.387 -27.711 1.00 41.86 ? 118 GLY H O 1 ATOM 1058 N N . PRO A 1 138 ? 4.347 -6.277 -26.508 1.00 33.86 ? 119 PRO H N 1 ATOM 1059 C CA . PRO A 1 138 ? 4.245 -5.640 -25.192 1.00 33.35 ? 119 PRO H CA 1 ATOM 1060 C C . PRO A 1 138 ? 5.556 -5.015 -24.725 1.00 36.81 ? 119 PRO H C 1 ATOM 1061 O O . PRO A 1 138 ? 6.633 -5.486 -25.086 1.00 42.96 ? 119 PRO H O 1 ATOM 1062 C CB . PRO A 1 138 ? 3.895 -6.816 -24.281 1.00 34.38 ? 119 PRO H CB 1 ATOM 1063 C CG . PRO A 1 138 ? 4.605 -7.972 -24.909 1.00 34.69 ? 119 PRO H CG 1 ATOM 1064 C CD . PRO A 1 138 ? 4.545 -7.734 -26.401 1.00 34.86 ? 119 PRO H CD 1 ATOM 1065 N N . SER A 1 139 ? 5.452 -3.956 -23.929 1.00 41.40 ? 120 SER H N 1 ATOM 1066 C CA . SER A 1 139 ? 6.604 -3.413 -23.222 1.00 41.14 ? 120 SER H CA 1 ATOM 1067 C C . SER A 1 139 ? 6.606 -3.984 -21.812 1.00 32.52 ? 120 SER H C 1 ATOM 1068 O O . SER A 1 139 ? 5.566 -4.038 -21.158 1.00 33.52 ? 120 SER H O 1 ATOM 1069 C CB . SER A 1 139 ? 6.547 -1.885 -23.171 1.00 36.88 ? 120 SER H CB 1 ATOM 1070 O OG . SER A 1 139 ? 6.729 -1.325 -24.459 1.00 39.30 ? 120 SER H OG 1 ATOM 1071 N N . VAL A 1 140 ? 7.771 -4.418 -21.347 1.00 27.78 ? 121 VAL H N 1 ATOM 1072 C CA . VAL A 1 140 ? 7.862 -5.064 -20.044 1.00 29.85 ? 121 VAL H CA 1 ATOM 1073 C C . VAL A 1 140 ? 8.609 -4.202 -19.033 1.00 30.50 ? 121 VAL H C 1 ATOM 1074 O O . VAL A 1 140 ? 9.740 -3.780 -19.274 1.00 29.61 ? 121 VAL H O 1 ATOM 1075 C CB . VAL A 1 140 ? 8.543 -6.442 -20.149 1.00 24.61 ? 121 VAL H CB 1 ATOM 1076 C CG1 . VAL A 1 140 ? 8.529 -7.141 -18.800 1.00 19.98 ? 121 VAL H CG1 1 ATOM 1077 C CG2 . VAL A 1 140 ? 7.851 -7.294 -21.200 1.00 27.02 ? 121 VAL H CG2 1 ATOM 1078 N N . PHE A 1 141 ? 7.968 -3.945 -17.898 1.00 29.65 ? 122 PHE H N 1 ATOM 1079 C CA . PHE A 1 141 ? 8.571 -3.138 -16.846 1.00 23.75 ? 122 PHE H CA 1 ATOM 1080 C C . PHE A 1 141 ? 8.578 -3.882 -15.518 1.00 27.46 ? 122 PHE H C 1 ATOM 1081 O O . PHE A 1 141 ? 7.623 -4.588 -15.189 1.00 26.77 ? 122 PHE H O 1 ATOM 1082 C CB . PHE A 1 141 ? 7.834 -1.805 -16.689 1.00 19.87 ? 122 PHE H CB 1 ATOM 1083 C CG . PHE A 1 141 ? 7.783 -0.990 -17.948 1.00 32.60 ? 122 PHE H CG 1 ATOM 1084 C CD1 . PHE A 1 141 ? 8.943 -0.478 -18.506 1.00 26.76 ? 122 PHE H CD1 1 ATOM 1085 C CD2 . PHE A 1 141 ? 6.573 -0.726 -18.569 1.00 38.33 ? 122 PHE H CD2 1 ATOM 1086 C CE1 . PHE A 1 141 ? 8.900 0.273 -19.666 1.00 30.06 ? 122 PHE H CE1 1 ATOM 1087 C CE2 . PHE A 1 141 ? 6.522 0.027 -19.730 1.00 43.27 ? 122 PHE H CE2 1 ATOM 1088 C CZ . PHE A 1 141 ? 7.689 0.527 -20.279 1.00 22.27 ? 122 PHE H CZ 1 ATOM 1089 N N . PRO A 1 142 ? 9.663 -3.725 -14.750 1.00 36.36 ? 123 PRO H N 1 ATOM 1090 C CA . PRO A 1 142 ? 9.769 -4.343 -13.427 1.00 39.05 ? 123 PRO H CA 1 ATOM 1091 C C . PRO A 1 142 ? 8.893 -3.632 -12.400 1.00 37.92 ? 123 PRO H C 1 ATOM 1092 O O . PRO A 1 142 ? 8.820 -2.404 -12.381 1.00 35.74 ? 123 PRO H O 1 ATOM 1093 C CB . PRO A 1 142 ? 11.249 -4.161 -13.080 1.00 29.55 ? 123 PRO H CB 1 ATOM 1094 C CG . PRO A 1 142 ? 11.656 -2.941 -13.828 1.00 26.64 ? 123 PRO H CG 1 ATOM 1095 C CD . PRO A 1 142 ? 10.881 -2.979 -15.113 1.00 38.08 ? 123 PRO H CD 1 ATOM 1096 N N . LEU A 1 143 ? 8.220 -4.415 -11.566 1.00 33.36 ? 124 LEU H N 1 ATOM 1097 C CA . LEU A 1 143 ? 7.456 -3.878 -10.450 1.00 24.61 ? 124 LEU H CA 1 ATOM 1098 C C . LEU A 1 143 ? 8.206 -4.213 -9.169 1.00 23.44 ? 124 LEU H C 1 ATOM 1099 O O . LEU A 1 143 ? 8.059 -5.303 -8.615 1.00 31.39 ? 124 LEU H O 1 ATOM 1100 C CB . LEU A 1 143 ? 6.046 -4.473 -10.429 1.00 26.90 ? 124 LEU H CB 1 ATOM 1101 C CG . LEU A 1 143 ? 5.161 -4.132 -11.633 1.00 23.23 ? 124 LEU H CG 1 ATOM 1102 C CD1 . LEU A 1 143 ? 3.923 -5.013 -11.672 1.00 16.35 ? 124 LEU H CD1 1 ATOM 1103 C CD2 . LEU A 1 143 ? 4.769 -2.661 -11.612 1.00 20.32 ? 124 LEU H CD2 1 ATOM 1104 N N . ALA A 1 144 ? 9.024 -3.269 -8.715 1.00 26.75 ? 125 ALA H N 1 ATOM 1105 C CA . ALA A 1 144 ? 9.933 -3.499 -7.597 1.00 37.58 ? 125 ALA H CA 1 ATOM 1106 C C . ALA A 1 144 ? 9.225 -3.637 -6.251 1.00 45.02 ? 125 ALA H C 1 ATOM 1107 O O . ALA A 1 144 ? 8.167 -3.044 -6.033 1.00 48.72 ? 125 ALA H O 1 ATOM 1108 C CB . ALA A 1 144 ? 10.979 -2.390 -7.533 1.00 40.65 ? 125 ALA H CB 1 ATOM 1109 N N . PRO A 1 145 ? 9.815 -4.434 -5.347 1.00 48.55 ? 126 PRO H N 1 ATOM 1110 C CA . PRO A 1 145 ? 9.346 -4.608 -3.969 1.00 52.22 ? 126 PRO H CA 1 ATOM 1111 C C . PRO A 1 145 ? 9.940 -3.554 -3.039 1.00 54.14 ? 126 PRO H C 1 ATOM 1112 O O . PRO A 1 145 ? 9.195 -2.902 -2.307 1.00 59.03 ? 126 PRO H O 1 ATOM 1113 C CB . PRO A 1 145 ? 9.888 -5.988 -3.601 1.00 51.09 ? 126 PRO H CB 1 ATOM 1114 C CG . PRO A 1 145 ? 11.160 -6.090 -4.376 1.00 46.10 ? 126 PRO H CG 1 ATOM 1115 C CD . PRO A 1 145 ? 10.928 -5.346 -5.669 1.00 41.93 ? 126 PRO H CD 1 ATOM 1116 N N . SER A 1 151 ? 10.988 -4.147 5.928 1.00 82.93 ? 132 SER H N 1 ATOM 1117 C CA . SER A 1 151 ? 11.783 -5.322 6.257 1.00 82.51 ? 132 SER H CA 1 ATOM 1118 C C . SER A 1 151 ? 10.904 -6.427 6.825 1.00 84.61 ? 132 SER H C 1 ATOM 1119 O O . SER A 1 151 ? 9.756 -6.189 7.197 1.00 86.50 ? 132 SER H O 1 ATOM 1120 C CB . SER A 1 151 ? 12.889 -4.965 7.253 1.00 83.63 ? 132 SER H CB 1 ATOM 1121 O OG . SER A 1 151 ? 13.639 -6.112 7.614 1.00 84.73 ? 132 SER H OG 1 ATOM 1122 N N . GLY A 1 152 ? 11.449 -7.636 6.890 1.00 82.72 ? 133 GLY H N 1 ATOM 1123 C CA . GLY A 1 152 ? 10.704 -8.777 7.386 1.00 79.44 ? 133 GLY H CA 1 ATOM 1124 C C . GLY A 1 152 ? 9.484 -9.046 6.529 1.00 79.44 ? 133 GLY H C 1 ATOM 1125 O O . GLY A 1 152 ? 9.292 -8.415 5.493 1.00 86.34 ? 133 GLY H O 1 ATOM 1126 N N . GLY A 1 153 ? 8.654 -9.986 6.958 1.00 70.80 ? 134 GLY H N 1 ATOM 1127 C CA . GLY A 1 153 ? 7.457 -10.320 6.214 1.00 67.48 ? 134 GLY H CA 1 ATOM 1128 C C . GLY A 1 153 ? 7.737 -10.758 4.790 1.00 67.64 ? 134 GLY H C 1 ATOM 1129 O O . GLY A 1 153 ? 8.851 -11.155 4.456 1.00 66.26 ? 134 GLY H O 1 ATOM 1130 N N . THR A 1 154 ? 6.713 -10.684 3.950 1.00 63.29 ? 135 THR H N 1 ATOM 1131 C CA . THR A 1 154 ? 6.808 -11.135 2.571 1.00 48.68 ? 135 THR H CA 1 ATOM 1132 C C . THR A 1 154 ? 6.853 -9.887 1.706 1.00 43.60 ? 135 THR H C 1 ATOM 1133 O O . THR A 1 154 ? 6.579 -8.786 2.178 1.00 46.42 ? 135 THR H O 1 ATOM 1134 C CB . THR A 1 154 ? 5.658 -12.029 2.089 1.00 38.51 ? 135 THR H CB 1 ATOM 1135 O OG1 . THR A 1 154 ? 4.433 -11.291 2.136 1.00 41.95 ? 135 THR H OG1 1 ATOM 1136 C CG2 . THR A 1 154 ? 5.534 -13.246 2.978 1.00 32.84 ? 135 THR H CG2 1 ATOM 1137 N N . ALA A 1 155 ? 7.196 -10.062 0.435 1.00 36.28 ? 136 ALA H N 1 ATOM 1138 C CA . ALA A 1 155 ? 7.252 -8.938 -0.485 1.00 29.88 ? 136 ALA H CA 1 ATOM 1139 C C . ALA A 1 155 ? 6.693 -9.325 -1.845 1.00 26.28 ? 136 ALA H C 1 ATOM 1140 O O . ALA A 1 155 ? 6.818 -10.472 -2.276 1.00 27.64 ? 136 ALA H O 1 ATOM 1141 C CB . ALA A 1 155 ? 8.681 -8.430 -0.618 1.00 22.19 ? 136 ALA H CB 1 ATOM 1142 N N . ALA A 1 156 ? 6.075 -8.359 -2.515 1.00 21.40 ? 137 ALA H N 1 ATOM 1143 C CA . ALA A 1 156 ? 5.510 -8.587 -3.836 1.00 18.33 ? 137 ALA H CA 1 ATOM 1144 C C . ALA A 1 156 ? 6.330 -7.889 -4.914 1.00 24.61 ? 137 ALA H C 1 ATOM 1145 O O . ALA A 1 156 ? 6.384 -6.661 -4.974 1.00 28.68 ? 137 ALA H O 1 ATOM 1146 C CB . ALA A 1 156 ? 4.063 -8.126 -3.882 1.00 18.10 ? 137 ALA H CB 1 ATOM 1147 N N . LEU A 1 157 ? 6.975 -8.684 -5.758 1.00 22.87 ? 138 LEU H N 1 ATOM 1148 C CA . LEU A 1 157 ? 7.701 -8.164 -6.904 1.00 26.03 ? 138 LEU H CA 1 ATOM 1149 C C . LEU A 1 157 ? 7.026 -8.705 -8.153 1.00 24.96 ? 138 LEU H C 1 ATOM 1150 O O . LEU A 1 157 ? 6.473 -9.802 -8.130 1.00 35.57 ? 138 LEU H O 1 ATOM 1151 C CB . LEU A 1 157 ? 9.166 -8.596 -6.848 1.00 28.60 ? 138 LEU H CB 1 ATOM 1152 C CG . LEU A 1 157 ? 9.449 -10.092 -6.994 1.00 32.49 ? 138 LEU H CG 1 ATOM 1153 C CD1 . LEU A 1 157 ? 9.589 -10.472 -8.463 1.00 37.43 ? 138 LEU H CD1 1 ATOM 1154 C CD2 . LEU A 1 157 ? 10.688 -10.493 -6.205 1.00 34.15 ? 138 LEU H CD2 1 ATOM 1155 N N . GLY A 1 158 ? 7.053 -7.941 -9.238 1.00 26.16 ? 139 GLY H N 1 ATOM 1156 C CA . GLY A 1 158 ? 6.383 -8.374 -10.451 1.00 30.01 ? 139 GLY H CA 1 ATOM 1157 C C . GLY A 1 158 ? 6.866 -7.729 -11.732 1.00 27.68 ? 139 GLY H C 1 ATOM 1158 O O . GLY A 1 158 ? 7.832 -6.965 -11.740 1.00 33.27 ? 139 GLY H O 1 ATOM 1159 N N . CYS A 1 159 ? 6.184 -8.056 -12.825 1.00 24.81 ? 140 CYS H N 1 ATOM 1160 C CA . CYS A 1 159 ? 6.464 -7.464 -14.126 1.00 25.40 ? 140 CYS H CA 1 ATOM 1161 C C . CYS A 1 159 ? 5.187 -6.912 -14.747 1.00 30.92 ? 140 CYS H C 1 ATOM 1162 O O . CYS A 1 159 ? 4.159 -7.590 -14.788 1.00 25.09 ? 140 CYS H O 1 ATOM 1163 C CB . CYS A 1 159 ? 7.103 -8.491 -15.065 1.00 20.05 ? 140 CYS H CB 1 ATOM 1164 S SG . CYS A 1 159 ? 8.845 -8.833 -14.722 1.00 58.18 ? 140 CYS H SG 1 ATOM 1165 N N . LEU A 1 160 ? 5.260 -5.676 -15.226 1.00 31.75 ? 141 LEU H N 1 ATOM 1166 C CA . LEU A 1 160 ? 4.135 -5.047 -15.904 1.00 25.72 ? 141 LEU H CA 1 ATOM 1167 C C . LEU A 1 160 ? 4.246 -5.225 -17.417 1.00 27.63 ? 141 LEU H C 1 ATOM 1168 O O . LEU A 1 160 ? 5.081 -4.594 -18.065 1.00 29.63 ? 141 LEU H O 1 ATOM 1169 C CB . LEU A 1 160 ? 4.073 -3.560 -15.555 1.00 17.87 ? 141 LEU H CB 1 ATOM 1170 C CG . LEU A 1 160 ? 3.074 -2.720 -16.352 1.00 30.16 ? 141 LEU H CG 1 ATOM 1171 C CD1 . LEU A 1 160 ? 1.642 -3.153 -16.069 1.00 23.32 ? 141 LEU H CD1 1 ATOM 1172 C CD2 . LEU A 1 160 ? 3.264 -1.242 -16.052 1.00 33.15 ? 141 LEU H CD2 1 ATOM 1173 N N . VAL A 1 161 ? 3.408 -6.096 -17.971 1.00 16.52 ? 142 VAL H N 1 ATOM 1174 C CA . VAL A 1 161 ? 3.358 -6.318 -19.413 1.00 20.35 ? 142 VAL H CA 1 ATOM 1175 C C . VAL A 1 161 ? 2.367 -5.336 -20.035 1.00 21.31 ? 142 VAL H C 1 ATOM 1176 O O . VAL A 1 161 ? 1.159 -5.563 -20.000 1.00 22.43 ? 142 VAL H O 1 ATOM 1177 C CB . VAL A 1 161 ? 2.921 -7.760 -19.733 1.00 20.32 ? 142 VAL H CB 1 ATOM 1178 C CG1 . VAL A 1 161 ? 3.021 -8.033 -21.225 1.00 22.32 ? 142 VAL H CG1 1 ATOM 1179 C CG2 . VAL A 1 161 ? 3.765 -8.751 -18.951 1.00 16.80 ? 142 VAL H CG2 1 ATOM 1180 N N . LYS A 1 162 ? 2.881 -4.251 -20.610 1.00 19.66 ? 143 LYS H N 1 ATOM 1181 C CA . LYS A 1 162 ? 2.037 -3.112 -20.981 1.00 29.40 ? 143 LYS H CA 1 ATOM 1182 C C . LYS A 1 162 ? 1.787 -2.926 -22.480 1.00 33.13 ? 143 LYS H C 1 ATOM 1183 O O . LYS A 1 162 ? 2.702 -3.034 -23.297 1.00 31.44 ? 143 LYS H O 1 ATOM 1184 C CB . LYS A 1 162 ? 2.619 -1.817 -20.403 1.00 31.69 ? 143 LYS H CB 1 ATOM 1185 C CG . LYS A 1 162 ? 1.575 -0.752 -20.105 1.00 37.13 ? 143 LYS H CG 1 ATOM 1186 C CD . LYS A 1 162 ? 2.209 0.570 -19.696 1.00 42.27 ? 143 LYS H CD 1 ATOM 1187 C CE . LYS A 1 162 ? 2.627 1.387 -20.910 1.00 42.37 ? 143 LYS H CE 1 ATOM 1188 N NZ . LYS A 1 162 ? 3.146 2.733 -20.532 1.00 35.75 ? 143 LYS H NZ 1 ATOM 1189 N N . ASP A 1 163 ? 0.544 -2.599 -22.814 1.00 23.28 ? 144 ASP H N 1 ATOM 1190 C CA . ASP A 1 163 ? 0.172 -2.225 -24.173 1.00 29.43 ? 144 ASP H CA 1 ATOM 1191 C C . ASP A 1 163 ? 0.431 -3.177 -25.333 1.00 28.05 ? 144 ASP H C 1 ATOM 1192 O O . ASP A 1 163 ? 1.089 -2.817 -26.309 1.00 34.15 ? 144 ASP H O 1 ATOM 1193 C CB . ASP A 1 163 ? 0.788 -0.872 -24.539 1.00 27.99 ? 144 ASP H CB 1 ATOM 1194 C CG . ASP A 1 163 ? 0.198 0.273 -23.740 1.00 39.34 ? 144 ASP H CG 1 ATOM 1195 O OD1 . ASP A 1 163 ? -1.012 0.225 -23.434 1.00 41.60 ? 144 ASP H OD1 1 ATOM 1196 O OD2 . ASP A 1 163 ? 0.944 1.221 -23.416 1.00 49.36 ? 144 ASP H OD2 1 ATOM 1197 N N . TYR A 1 164 ? -0.101 -4.388 -25.224 1.00 23.48 ? 145 TYR H N 1 ATOM 1198 C CA . TYR A 1 164 ? -0.045 -5.344 -26.323 1.00 25.54 ? 145 TYR H CA 1 ATOM 1199 C C . TYR A 1 164 ? -1.380 -5.715 -26.953 1.00 25.17 ? 145 TYR H C 1 ATOM 1200 O O . TYR A 1 164 ? -2.438 -5.490 -26.369 1.00 28.78 ? 145 TYR H O 1 ATOM 1201 C CB . TYR A 1 164 ? 0.628 -6.595 -25.759 1.00 28.29 ? 145 TYR H CB 1 ATOM 1202 C CG . TYR A 1 164 ? -0.214 -7.344 -24.754 1.00 30.16 ? 145 TYR H CG 1 ATOM 1203 C CD1 . TYR A 1 164 ? -1.187 -8.243 -25.170 1.00 18.34 ? 145 TYR H CD1 1 ATOM 1204 C CD2 . TYR A 1 164 ? -0.036 -7.154 -23.390 1.00 17.52 ? 145 TYR H CD2 1 ATOM 1205 C CE1 . TYR A 1 164 ? -1.959 -8.931 -24.256 1.00 30.01 ? 145 TYR H CE1 1 ATOM 1206 C CE2 . TYR A 1 164 ? -0.802 -7.838 -22.468 1.00 16.75 ? 145 TYR H CE2 1 ATOM 1207 C CZ . TYR A 1 164 ? -1.762 -8.726 -22.906 1.00 26.96 ? 145 TYR H CZ 1 ATOM 1208 O OH . TYR A 1 164 ? -2.530 -9.414 -21.994 1.00 18.75 ? 145 TYR H OH 1 ATOM 1209 N N . PHE A 1 165 ? -1.322 -6.290 -28.148 1.00 26.86 ? 146 PHE H N 1 ATOM 1210 C CA . PHE A 1 165 ? -2.518 -6.730 -28.849 1.00 20.67 ? 146 PHE H CA 1 ATOM 1211 C C . PHE A 1 165 ? -2.120 -7.626 -30.012 1.00 32.51 ? 146 PHE H C 1 ATOM 1212 O O . PHE A 1 165 ? -1.152 -7.342 -30.716 1.00 39.80 ? 146 PHE H O 1 ATOM 1213 C CB . PHE A 1 165 ? -3.323 -5.527 -29.350 1.00 44.25 ? 146 PHE H CB 1 ATOM 1214 C CG . PHE A 1 165 ? -4.577 -5.900 -30.095 1.00 45.68 ? 146 PHE H CG 1 ATOM 1215 C CD1 . PHE A 1 165 ? -5.776 -6.079 -29.421 1.00 37.56 ? 146 PHE H CD1 1 ATOM 1216 C CD2 . PHE A 1 165 ? -4.558 -6.066 -31.471 1.00 45.20 ? 146 PHE H CD2 1 ATOM 1217 C CE1 . PHE A 1 165 ? -6.929 -6.421 -30.106 1.00 30.12 ? 146 PHE H CE1 1 ATOM 1218 C CE2 . PHE A 1 165 ? -5.707 -6.407 -32.160 1.00 38.87 ? 146 PHE H CE2 1 ATOM 1219 C CZ . PHE A 1 165 ? -6.895 -6.584 -31.476 1.00 32.08 ? 146 PHE H CZ 1 ATOM 1220 N N . PRO A 1 166 ? -2.868 -8.717 -30.216 1.00 27.30 ? 147 PRO H N 1 ATOM 1221 C CA . PRO A 1 166 ? -4.021 -9.060 -29.383 1.00 21.04 ? 147 PRO H CA 1 ATOM 1222 C C . PRO A 1 166 ? -3.609 -9.965 -28.232 1.00 39.00 ? 147 PRO H C 1 ATOM 1223 O O . PRO A 1 166 ? -2.421 -10.246 -28.063 1.00 38.43 ? 147 PRO H O 1 ATOM 1224 C CB . PRO A 1 166 ? -4.899 -9.846 -30.351 1.00 21.95 ? 147 PRO H CB 1 ATOM 1225 C CG . PRO A 1 166 ? -3.902 -10.579 -31.204 1.00 23.39 ? 147 PRO H CG 1 ATOM 1226 C CD . PRO A 1 166 ? -2.710 -9.651 -31.346 1.00 23.64 ? 147 PRO H CD 1 ATOM 1227 N N . GLU A 1 167 ? -4.582 -10.408 -27.443 1.00 35.48 ? 148 GLU H N 1 ATOM 1228 C CA . GLU A 1 167 ? -4.349 -11.489 -26.497 1.00 37.28 ? 148 GLU H CA 1 ATOM 1229 C C . GLU A 1 167 ? -3.945 -12.722 -27.298 1.00 38.60 ? 148 GLU H C 1 ATOM 1230 O O . GLU A 1 167 ? -4.273 -12.830 -28.479 1.00 35.88 ? 148 GLU H O 1 ATOM 1231 C CB . GLU A 1 167 ? -5.617 -11.788 -25.692 1.00 31.41 ? 148 GLU H CB 1 ATOM 1232 C CG . GLU A 1 167 ? -6.020 -10.715 -24.686 1.00 21.54 ? 148 GLU H CG 1 ATOM 1233 C CD . GLU A 1 167 ? -5.361 -10.901 -23.329 1.00 31.00 ? 148 GLU H CD 1 ATOM 1234 O OE1 . GLU A 1 167 ? -4.136 -11.131 -23.286 1.00 26.52 ? 148 GLU H OE1 1 ATOM 1235 O OE2 . GLU A 1 167 ? -6.069 -10.819 -22.302 1.00 37.95 ? 148 GLU H OE2 1 ATOM 1236 N N . PRO A 1 168 ? -3.228 -13.658 -26.663 1.00 39.24 ? 149 PRO H N 1 ATOM 1237 C CA . PRO A 1 168 ? -2.761 -13.536 -25.284 1.00 32.27 ? 149 PRO H CA 1 ATOM 1238 C C . PRO A 1 168 ? -1.243 -13.429 -25.132 1.00 25.33 ? 149 PRO H C 1 ATOM 1239 O O . PRO A 1 168 ? -0.507 -13.463 -26.117 1.00 28.69 ? 149 PRO H O 1 ATOM 1240 C CB . PRO A 1 168 ? -3.209 -14.857 -24.678 1.00 30.62 ? 149 PRO H CB 1 ATOM 1241 C CG . PRO A 1 168 ? -3.022 -15.833 -25.814 1.00 34.62 ? 149 PRO H CG 1 ATOM 1242 C CD . PRO A 1 168 ? -3.207 -15.061 -27.110 1.00 33.39 ? 149 PRO H CD 1 ATOM 1243 N N . VAL A 1 169 ? -0.794 -13.312 -23.884 1.00 26.20 ? 150 VAL H N 1 ATOM 1244 C CA . VAL A 1 169 ? 0.626 -13.355 -23.550 1.00 26.45 ? 150 VAL H CA 1 ATOM 1245 C C . VAL A 1 169 ? 0.870 -14.400 -22.468 1.00 25.68 ? 150 VAL H C 1 ATOM 1246 O O . VAL A 1 169 ? -0.036 -14.752 -21.710 1.00 20.27 ? 150 VAL H O 1 ATOM 1247 C CB . VAL A 1 169 ? 1.148 -11.996 -23.034 1.00 32.63 ? 150 VAL H CB 1 ATOM 1248 C CG1 . VAL A 1 169 ? 0.861 -10.893 -24.042 1.00 43.66 ? 150 VAL H CG1 1 ATOM 1249 C CG2 . VAL A 1 169 ? 0.537 -11.668 -21.675 1.00 32.00 ? 150 VAL H CG2 1 ATOM 1250 N N . THR A 1 170 ? 2.103 -14.888 -22.398 1.00 30.98 ? 151 THR H N 1 ATOM 1251 C CA . THR A 1 170 ? 2.488 -15.856 -21.382 1.00 25.06 ? 151 THR H CA 1 ATOM 1252 C C . THR A 1 170 ? 3.604 -15.294 -20.508 1.00 29.03 ? 151 THR H C 1 ATOM 1253 O O . THR A 1 170 ? 4.454 -14.538 -20.981 1.00 18.68 ? 151 THR H O 1 ATOM 1254 C CB . THR A 1 170 ? 2.961 -17.174 -22.018 1.00 27.84 ? 151 THR H CB 1 ATOM 1255 O OG1 . THR A 1 170 ? 4.106 -16.925 -22.843 1.00 35.71 ? 151 THR H OG1 1 ATOM 1256 C CG2 . THR A 1 170 ? 1.854 -17.783 -22.867 1.00 20.61 ? 151 THR H CG2 1 ATOM 1257 N N . VAL A 1 171 ? 3.601 -15.664 -19.232 1.00 25.30 ? 152 VAL H N 1 ATOM 1258 C CA . VAL A 1 171 ? 4.608 -15.167 -18.301 1.00 26.56 ? 152 VAL H CA 1 ATOM 1259 C C . VAL A 1 171 ? 5.098 -16.254 -17.353 1.00 23.27 ? 152 VAL H C 1 ATOM 1260 O O . VAL A 1 171 ? 4.301 -16.928 -16.701 1.00 24.30 ? 152 VAL H O 1 ATOM 1261 C CB . VAL A 1 171 ? 4.072 -13.994 -17.458 1.00 20.39 ? 152 VAL H CB 1 ATOM 1262 C CG1 . VAL A 1 171 ? 5.169 -13.456 -16.552 1.00 32.34 ? 152 VAL H CG1 1 ATOM 1263 C CG2 . VAL A 1 171 ? 3.536 -12.896 -18.355 1.00 21.40 ? 152 VAL H CG2 1 ATOM 1264 N N . SER A 1 172 ? 6.414 -16.418 -17.282 1.00 18.90 ? 153 SER H N 1 ATOM 1265 C CA . SER A 1 172 ? 7.018 -17.323 -16.315 1.00 23.70 ? 153 SER H CA 1 ATOM 1266 C C . SER A 1 172 ? 8.102 -16.577 -15.553 1.00 17.81 ? 153 SER H C 1 ATOM 1267 O O . SER A 1 172 ? 8.467 -15.461 -15.918 1.00 29.45 ? 153 SER H O 1 ATOM 1268 C CB . SER A 1 172 ? 7.607 -18.558 -17.005 1.00 22.50 ? 153 SER H CB 1 ATOM 1269 O OG . SER A 1 172 ? 8.875 -18.277 -17.572 1.00 36.00 ? 153 SER H OG 1 ATOM 1270 N N . TRP A 1 173 ? 8.611 -17.194 -14.494 1.00 29.04 ? 154 TRP H N 1 ATOM 1271 C CA . TRP A 1 173 ? 9.657 -16.585 -13.683 1.00 17.73 ? 154 TRP H CA 1 ATOM 1272 C C . TRP A 1 173 ? 10.889 -17.476 -13.585 1.00 36.49 ? 154 TRP H C 1 ATOM 1273 O O . TRP A 1 173 ? 10.792 -18.653 -13.234 1.00 35.33 ? 154 TRP H O 1 ATOM 1274 C CB . TRP A 1 173 ? 9.130 -16.255 -12.288 1.00 17.29 ? 154 TRP H CB 1 ATOM 1275 C CG . TRP A 1 173 ? 8.209 -15.081 -12.274 1.00 23.67 ? 154 TRP H CG 1 ATOM 1276 C CD1 . TRP A 1 173 ? 6.866 -15.088 -12.512 1.00 25.76 ? 154 TRP H CD1 1 ATOM 1277 C CD2 . TRP A 1 173 ? 8.563 -13.719 -12.013 1.00 21.19 ? 154 TRP H CD2 1 ATOM 1278 N NE1 . TRP A 1 173 ? 6.361 -13.814 -12.411 1.00 26.83 ? 154 TRP H NE1 1 ATOM 1279 C CE2 . TRP A 1 173 ? 7.384 -12.956 -12.105 1.00 24.05 ? 154 TRP H CE2 1 ATOM 1280 C CE3 . TRP A 1 173 ? 9.763 -13.072 -11.708 1.00 20.16 ? 154 TRP H CE3 1 ATOM 1281 C CZ2 . TRP A 1 173 ? 7.370 -11.577 -11.904 1.00 25.35 ? 154 TRP H CZ2 1 ATOM 1282 C CZ3 . TRP A 1 173 ? 9.748 -11.705 -11.508 1.00 29.63 ? 154 TRP H CZ3 1 ATOM 1283 C CH2 . TRP A 1 173 ? 8.559 -10.972 -11.607 1.00 30.95 ? 154 TRP H CH2 1 ATOM 1284 N N . ASN A 1 174 ? 12.047 -16.902 -13.895 1.00 28.57 ? 155 ASN H N 1 ATOM 1285 C CA . ASN A 1 174 ? 13.299 -17.644 -13.880 1.00 24.99 ? 155 ASN H CA 1 ATOM 1286 C C . ASN A 1 174 ? 13.212 -18.897 -14.740 1.00 25.81 ? 155 ASN H C 1 ATOM 1287 O O . ASN A 1 174 ? 13.691 -19.964 -14.354 1.00 29.71 ? 155 ASN H O 1 ATOM 1288 C CB . ASN A 1 174 ? 13.694 -17.999 -12.446 1.00 21.16 ? 155 ASN H CB 1 ATOM 1289 C CG . ASN A 1 174 ? 14.024 -16.775 -11.615 1.00 24.58 ? 155 ASN H CG 1 ATOM 1290 O OD1 . ASN A 1 174 ? 13.807 -15.642 -12.045 1.00 22.27 ? 155 ASN H OD1 1 ATOM 1291 N ND2 . ASN A 1 174 ? 14.548 -16.997 -10.415 1.00 27.89 ? 155 ASN H ND2 1 ATOM 1292 N N . SER A 1 175 ? 12.585 -18.754 -15.905 1.00 26.92 ? 156 SER H N 1 ATOM 1293 C CA . SER A 1 175 ? 12.444 -19.848 -16.863 1.00 29.16 ? 156 SER H CA 1 ATOM 1294 C C . SER A 1 175 ? 11.732 -21.071 -16.287 1.00 31.97 ? 156 SER H C 1 ATOM 1295 O O . SER A 1 175 ? 11.942 -22.195 -16.741 1.00 34.75 ? 156 SER H O 1 ATOM 1296 C CB . SER A 1 175 ? 13.807 -20.240 -17.432 1.00 23.41 ? 156 SER H CB 1 ATOM 1297 O OG . SER A 1 175 ? 14.361 -19.171 -18.179 1.00 34.39 ? 156 SER H OG 1 ATOM 1298 N N . GLY A 1 176 ? 10.884 -20.847 -15.290 1.00 31.32 ? 157 GLY H N 1 ATOM 1299 C CA . GLY A 1 176 ? 10.101 -21.922 -14.714 1.00 20.00 ? 157 GLY H CA 1 ATOM 1300 C C . GLY A 1 176 ? 10.696 -22.472 -13.435 1.00 19.98 ? 157 GLY H C 1 ATOM 1301 O O . GLY A 1 176 ? 10.137 -23.383 -12.826 1.00 26.88 ? 157 GLY H O 1 ATOM 1302 N N . ALA A 1 177 ? 11.833 -21.918 -13.025 1.00 19.82 ? 158 ALA H N 1 ATOM 1303 C CA . ALA A 1 177 ? 12.478 -22.337 -11.785 1.00 31.88 ? 158 ALA H CA 1 ATOM 1304 C C . ALA A 1 177 ? 11.750 -21.761 -10.574 1.00 30.39 ? 158 ALA H C 1 ATOM 1305 O O . ALA A 1 177 ? 11.924 -22.235 -9.448 1.00 26.11 ? 158 ALA H O 1 ATOM 1306 C CB . ALA A 1 177 ? 13.946 -21.925 -11.778 1.00 23.75 ? 158 ALA H CB 1 ATOM 1307 N N . LEU A 1 178 ? 10.932 -20.741 -10.815 1.00 19.07 ? 159 LEU H N 1 ATOM 1308 C CA . LEU A 1 178 ? 10.164 -20.100 -9.753 1.00 21.97 ? 159 LEU H CA 1 ATOM 1309 C C . LEU A 1 178 ? 8.679 -20.065 -10.098 1.00 28.43 ? 159 LEU H C 1 ATOM 1310 O O . LEU A 1 178 ? 8.249 -19.284 -10.948 1.00 35.80 ? 159 LEU H O 1 ATOM 1311 C CB . LEU A 1 178 ? 10.674 -18.678 -9.507 1.00 19.88 ? 159 LEU H CB 1 ATOM 1312 C CG . LEU A 1 178 ? 10.001 -17.899 -8.374 1.00 30.15 ? 159 LEU H CG 1 ATOM 1313 C CD1 . LEU A 1 178 ? 10.377 -18.483 -7.021 1.00 30.45 ? 159 LEU H CD1 1 ATOM 1314 C CD2 . LEU A 1 178 ? 10.357 -16.422 -8.443 1.00 35.46 ? 159 LEU H CD2 1 ATOM 1315 N N . THR A 1 179 ? 7.899 -20.912 -9.435 1.00 24.11 ? 160 THR H N 1 ATOM 1316 C CA . THR A 1 179 ? 6.461 -20.969 -9.667 1.00 25.94 ? 160 THR H CA 1 ATOM 1317 C C . THR A 1 179 ? 5.681 -20.775 -8.371 1.00 26.88 ? 160 THR H C 1 ATOM 1318 O O . THR A 1 179 ? 4.467 -20.573 -8.390 1.00 31.72 ? 160 THR H O 1 ATOM 1319 C CB . THR A 1 179 ? 6.045 -22.303 -10.314 1.00 27.59 ? 160 THR H CB 1 ATOM 1320 O OG1 . THR A 1 179 ? 6.487 -23.392 -9.494 1.00 35.48 ? 160 THR H OG1 1 ATOM 1321 C CG2 . THR A 1 179 ? 6.657 -22.437 -11.701 1.00 19.18 ? 160 THR H CG2 1 ATOM 1322 N N . SER A 1 180 ? 6.387 -20.834 -7.247 1.00 22.15 ? 161 SER H N 1 ATOM 1323 C CA . SER A 1 180 ? 5.758 -20.657 -5.945 1.00 18.74 ? 161 SER H CA 1 ATOM 1324 C C . SER A 1 180 ? 5.424 -19.195 -5.688 1.00 18.23 ? 161 SER H C 1 ATOM 1325 O O . SER A 1 180 ? 6.280 -18.319 -5.819 1.00 23.53 ? 161 SER H O 1 ATOM 1326 C CB . SER A 1 180 ? 6.662 -21.188 -4.832 1.00 31.77 ? 161 SER H CB 1 ATOM 1327 O OG . SER A 1 180 ? 6.060 -21.008 -3.562 1.00 27.77 ? 161 SER H OG 1 ATOM 1328 N N . GLY A 1 181 ? 4.172 -18.940 -5.321 1.00 20.57 ? 162 GLY H N 1 ATOM 1329 C CA . GLY A 1 181 ? 3.723 -17.595 -5.021 1.00 18.53 ? 162 GLY H CA 1 ATOM 1330 C C . GLY A 1 181 ? 3.625 -16.711 -6.249 1.00 22.04 ? 162 GLY H C 1 ATOM 1331 O O . GLY A 1 181 ? 3.683 -15.487 -6.143 1.00 22.49 ? 162 GLY H O 1 ATOM 1332 N N . VAL A 1 182 ? 3.486 -17.331 -7.417 1.00 19.82 ? 163 VAL H N 1 ATOM 1333 C CA . VAL A 1 182 ? 3.336 -16.585 -8.660 1.00 22.05 ? 163 VAL H CA 1 ATOM 1334 C C . VAL A 1 182 ? 1.863 -16.373 -8.980 1.00 25.03 ? 163 VAL H C 1 ATOM 1335 O O . VAL A 1 182 ? 1.100 -17.330 -9.090 1.00 22.57 ? 163 VAL H O 1 ATOM 1336 C CB . VAL A 1 182 ? 4.002 -17.304 -9.847 1.00 20.55 ? 163 VAL H CB 1 ATOM 1337 C CG1 . VAL A 1 182 ? 3.765 -16.528 -11.134 1.00 18.02 ? 163 VAL H CG1 1 ATOM 1338 C CG2 . VAL A 1 182 ? 5.487 -17.481 -9.593 1.00 28.69 ? 163 VAL H CG2 1 ATOM 1339 N N . HIS A 1 183 ? 1.468 -15.114 -9.128 1.00 27.86 ? 164 HIS H N 1 ATOM 1340 C CA . HIS A 1 183 ? 0.083 -14.789 -9.441 1.00 26.09 ? 164 HIS H CA 1 ATOM 1341 C C . HIS A 1 183 ? -0.001 -13.860 -10.644 1.00 26.97 ? 164 HIS H C 1 ATOM 1342 O O . HIS A 1 183 ? 0.257 -12.662 -10.533 1.00 26.45 ? 164 HIS H O 1 ATOM 1343 C CB . HIS A 1 183 ? -0.605 -14.152 -8.232 1.00 19.69 ? 164 HIS H CB 1 ATOM 1344 C CG . HIS A 1 183 ? -2.075 -13.937 -8.417 1.00 37.45 ? 164 HIS H CG 1 ATOM 1345 N ND1 . HIS A 1 183 ? -2.719 -14.176 -9.612 1.00 40.67 ? 164 HIS H ND1 1 ATOM 1346 C CD2 . HIS A 1 183 ? -3.027 -13.500 -7.558 1.00 37.78 ? 164 HIS H CD2 1 ATOM 1347 C CE1 . HIS A 1 183 ? -4.004 -13.897 -9.481 1.00 34.52 ? 164 HIS H CE1 1 ATOM 1348 N NE2 . HIS A 1 183 ? -4.217 -13.487 -8.244 1.00 33.23 ? 164 HIS H NE2 1 ATOM 1349 N N . THR A 1 184 ? -0.359 -14.420 -11.795 1.00 31.54 ? 165 THR H N 1 ATOM 1350 C CA . THR A 1 184 ? -0.534 -13.632 -13.011 1.00 28.08 ? 165 THR H CA 1 ATOM 1351 C C . THR A 1 184 ? -1.992 -13.205 -13.174 1.00 29.91 ? 165 THR H C 1 ATOM 1352 O O . THR A 1 184 ? -2.885 -14.045 -13.302 1.00 26.41 ? 165 THR H O 1 ATOM 1353 C CB . THR A 1 184 ? -0.080 -14.414 -14.258 1.00 26.00 ? 165 THR H CB 1 ATOM 1354 O OG1 . THR A 1 184 ? 1.320 -14.701 -14.159 1.00 29.85 ? 165 THR H OG1 1 ATOM 1355 C CG2 . THR A 1 184 ? -0.338 -13.606 -15.519 1.00 15.35 ? 165 THR H CG2 1 ATOM 1356 N N . PHE A 1 185 ? -2.226 -11.895 -13.165 1.00 22.45 ? 166 PHE H N 1 ATOM 1357 C CA . PHE A 1 185 ? -3.579 -11.351 -13.256 1.00 17.25 ? 166 PHE H CA 1 ATOM 1358 C C . PHE A 1 185 ? -4.068 -11.229 -14.695 1.00 25.76 ? 166 PHE H C 1 ATOM 1359 O O . PHE A 1 185 ? -3.281 -10.960 -15.604 1.00 20.57 ? 166 PHE H O 1 ATOM 1360 C CB . PHE A 1 185 ? -3.652 -9.985 -12.573 1.00 14.11 ? 166 PHE H CB 1 ATOM 1361 C CG . PHE A 1 185 ? -3.509 -10.046 -11.083 1.00 24.19 ? 166 PHE H CG 1 ATOM 1362 C CD1 . PHE A 1 185 ? -2.287 -10.343 -10.504 1.00 21.87 ? 166 PHE H CD1 1 ATOM 1363 C CD2 . PHE A 1 185 ? -4.596 -9.801 -10.259 1.00 24.16 ? 166 PHE H CD2 1 ATOM 1364 C CE1 . PHE A 1 185 ? -2.152 -10.400 -9.131 1.00 22.54 ? 166 PHE H CE1 1 ATOM 1365 C CE2 . PHE A 1 185 ? -4.467 -9.855 -8.885 1.00 23.29 ? 166 PHE H CE2 1 ATOM 1366 C CZ . PHE A 1 185 ? -3.243 -10.156 -8.320 1.00 18.75 ? 166 PHE H CZ 1 ATOM 1367 N N . PRO A 1 186 ? -5.377 -11.434 -14.903 1.00 27.16 ? 167 PRO H N 1 ATOM 1368 C CA . PRO A 1 186 ? -5.998 -11.241 -16.217 1.00 20.19 ? 167 PRO H CA 1 ATOM 1369 C C . PRO A 1 186 ? -5.797 -9.808 -16.696 1.00 24.32 ? 167 PRO H C 1 ATOM 1370 O O . PRO A 1 186 ? -5.830 -8.878 -15.890 1.00 21.89 ? 167 PRO H O 1 ATOM 1371 C CB . PRO A 1 186 ? -7.481 -11.511 -15.945 1.00 21.36 ? 167 PRO H CB 1 ATOM 1372 C CG . PRO A 1 186 ? -7.486 -12.408 -14.754 1.00 22.75 ? 167 PRO H CG 1 ATOM 1373 C CD . PRO A 1 186 ? -6.336 -11.946 -13.909 1.00 23.07 ? 167 PRO H CD 1 ATOM 1374 N N . ALA A 1 187 ? -5.588 -9.637 -17.996 1.00 24.38 ? 168 ALA H N 1 ATOM 1375 C CA . ALA A 1 187 ? -5.271 -8.328 -18.553 1.00 18.35 ? 168 ALA H CA 1 ATOM 1376 C C . ALA A 1 187 ? -6.469 -7.388 -18.544 1.00 18.04 ? 168 ALA H C 1 ATOM 1377 O O . ALA A 1 187 ? -7.618 -7.825 -18.593 1.00 21.36 ? 168 ALA H O 1 ATOM 1378 C CB . ALA A 1 187 ? -4.728 -8.475 -19.964 1.00 22.55 ? 168 ALA H CB 1 ATOM 1379 N N . VAL A 1 188 ? -6.189 -6.092 -18.475 1.00 19.73 ? 169 VAL H N 1 ATOM 1380 C CA . VAL A 1 188 ? -7.222 -5.080 -18.614 1.00 15.46 ? 169 VAL H CA 1 ATOM 1381 C C . VAL A 1 188 ? -7.259 -4.620 -20.064 1.00 25.10 ? 169 VAL H C 1 ATOM 1382 O O . VAL A 1 188 ? -6.215 -4.437 -20.689 1.00 24.70 ? 169 VAL H O 1 ATOM 1383 C CB . VAL A 1 188 ? -6.948 -3.860 -17.715 1.00 22.65 ? 169 VAL H CB 1 ATOM 1384 C CG1 . VAL A 1 188 ? -5.635 -3.204 -18.105 1.00 23.00 ? 169 VAL H CG1 1 ATOM 1385 C CG2 . VAL A 1 188 ? -8.091 -2.862 -17.815 1.00 22.38 ? 169 VAL H CG2 1 ATOM 1386 N N . LEU A 1 189 ? -8.459 -4.454 -20.608 1.00 27.25 ? 170 LEU H N 1 ATOM 1387 C CA . LEU A 1 189 ? -8.603 -3.836 -21.918 1.00 26.46 ? 170 LEU H CA 1 ATOM 1388 C C . LEU A 1 189 ? -8.708 -2.329 -21.729 1.00 24.89 ? 170 LEU H C 1 ATOM 1389 O O . LEU A 1 189 ? -9.649 -1.842 -21.107 1.00 31.67 ? 170 LEU H O 1 ATOM 1390 C CB . LEU A 1 189 ? -9.835 -4.366 -22.652 1.00 20.29 ? 170 LEU H CB 1 ATOM 1391 C CG . LEU A 1 189 ? -10.131 -3.635 -23.964 1.00 26.90 ? 170 LEU H CG 1 ATOM 1392 C CD1 . LEU A 1 189 ? -8.944 -3.730 -24.912 1.00 20.52 ? 170 LEU H CD1 1 ATOM 1393 C CD2 . LEU A 1 189 ? -11.396 -4.166 -24.621 1.00 26.44 ? 170 LEU H CD2 1 ATOM 1394 N N . GLN A 1 190 ? -7.735 -1.597 -22.259 1.00 20.86 ? 171 GLN H N 1 ATOM 1395 C CA . GLN A 1 190 ? -7.674 -0.153 -22.063 1.00 26.53 ? 171 GLN H CA 1 ATOM 1396 C C . GLN A 1 190 ? -8.413 0.614 -23.157 1.00 24.41 ? 171 GLN H C 1 ATOM 1397 O O . GLN A 1 190 ? -8.734 0.062 -24.207 1.00 18.90 ? 171 GLN H O 1 ATOM 1398 C CB . GLN A 1 190 ? -6.216 0.307 -21.972 1.00 35.32 ? 171 GLN H CB 1 ATOM 1399 C CG . GLN A 1 190 ? -5.514 -0.136 -20.696 1.00 47.84 ? 171 GLN H CG 1 ATOM 1400 C CD . GLN A 1 190 ? -4.099 -0.627 -20.941 1.00 55.80 ? 171 GLN H CD 1 ATOM 1401 O OE1 . GLN A 1 190 ? -3.263 -0.617 -20.036 1.00 62.10 ? 171 GLN H OE1 1 ATOM 1402 N NE2 . GLN A 1 190 ? -3.826 -1.071 -22.164 1.00 50.35 ? 171 GLN H NE2 1 ATOM 1403 N N . SER A 1 191 ? -8.682 1.891 -22.899 1.00 15.36 ? 172 SER H N 1 ATOM 1404 C CA . SER A 1 191 ? -9.390 2.731 -23.857 1.00 21.00 ? 172 SER H CA 1 ATOM 1405 C C . SER A 1 191 ? -8.632 2.810 -25.177 1.00 29.46 ? 172 SER H C 1 ATOM 1406 O O . SER A 1 191 ? -9.210 3.111 -26.221 1.00 33.81 ? 172 SER H O 1 ATOM 1407 C CB . SER A 1 191 ? -9.612 4.132 -23.284 1.00 28.41 ? 172 SER H CB 1 ATOM 1408 O OG . SER A 1 191 ? -8.387 4.719 -22.880 1.00 42.97 ? 172 SER H OG 1 ATOM 1409 N N . SER A 1 192 ? -7.334 2.533 -25.120 1.00 17.09 ? 173 SER H N 1 ATOM 1410 C CA . SER A 1 192 ? -6.492 2.528 -26.308 1.00 18.13 ? 173 SER H CA 1 ATOM 1411 C C . SER A 1 192 ? -6.778 1.310 -27.180 1.00 25.69 ? 173 SER H C 1 ATOM 1412 O O . SER A 1 192 ? -6.363 1.252 -28.337 1.00 29.93 ? 173 SER H O 1 ATOM 1413 C CB . SER A 1 192 ? -5.016 2.538 -25.907 1.00 21.55 ? 173 SER H CB 1 ATOM 1414 O OG . SER A 1 192 ? -4.703 1.410 -25.103 1.00 29.99 ? 173 SER H OG 1 ATOM 1415 N N . GLY A 1 193 ? -7.487 0.337 -26.618 1.00 20.81 ? 174 GLY H N 1 ATOM 1416 C CA . GLY A 1 193 ? -7.764 -0.903 -27.320 1.00 22.03 ? 174 GLY H CA 1 ATOM 1417 C C . GLY A 1 193 ? -6.657 -1.922 -27.120 1.00 29.05 ? 174 GLY H C 1 ATOM 1418 O O . GLY A 1 193 ? -6.767 -3.066 -27.555 1.00 25.27 ? 174 GLY H O 1 ATOM 1419 N N . LEU A 1 194 ? -5.583 -1.496 -26.461 1.00 29.39 ? 175 LEU H N 1 ATOM 1420 C CA . LEU A 1 194 ? -4.473 -2.382 -26.134 1.00 28.32 ? 175 LEU H CA 1 ATOM 1421 C C . LEU A 1 194 ? -4.683 -3.001 -24.758 1.00 32.18 ? 175 LEU H C 1 ATOM 1422 O O . LEU A 1 194 ? -5.415 -2.459 -23.930 1.00 30.09 ? 175 LEU H O 1 ATOM 1423 C CB . LEU A 1 194 ? -3.149 -1.618 -26.157 1.00 28.58 ? 175 LEU H CB 1 ATOM 1424 C CG . LEU A 1 194 ? -2.784 -0.900 -27.456 1.00 30.17 ? 175 LEU H CG 1 ATOM 1425 C CD1 . LEU A 1 194 ? -1.521 -0.076 -27.268 1.00 24.84 ? 175 LEU H CD1 1 ATOM 1426 C CD2 . LEU A 1 194 ? -2.611 -1.895 -28.592 1.00 30.18 ? 175 LEU H CD2 1 ATOM 1427 N N . TYR A 1 195 ? -4.030 -4.134 -24.516 1.00 36.34 ? 176 TYR H N 1 ATOM 1428 C CA . TYR A 1 195 ? -4.158 -4.837 -23.245 1.00 32.59 ? 176 TYR H CA 1 ATOM 1429 C C . TYR A 1 195 ? -2.938 -4.634 -22.347 1.00 26.43 ? 176 TYR H C 1 ATOM 1430 O O . TYR A 1 195 ? -1.845 -4.324 -22.822 1.00 22.19 ? 176 TYR H O 1 ATOM 1431 C CB . TYR A 1 195 ? -4.389 -6.332 -23.483 1.00 26.79 ? 176 TYR H CB 1 ATOM 1432 C CG . TYR A 1 195 ? -5.730 -6.661 -24.100 1.00 20.89 ? 176 TYR H CG 1 ATOM 1433 C CD1 . TYR A 1 195 ? -5.952 -6.491 -25.459 1.00 24.14 ? 176 TYR H CD1 1 ATOM 1434 C CD2 . TYR A 1 195 ? -6.772 -7.145 -23.323 1.00 25.68 ? 176 TYR H CD2 1 ATOM 1435 C CE1 . TYR A 1 195 ? -7.175 -6.792 -26.027 1.00 36.38 ? 176 TYR H CE1 1 ATOM 1436 C CE2 . TYR A 1 195 ? -7.997 -7.449 -23.879 1.00 25.21 ? 176 TYR H CE2 1 ATOM 1437 C CZ . TYR A 1 195 ? -8.195 -7.271 -25.232 1.00 39.99 ? 176 TYR H CZ 1 ATOM 1438 O OH . TYR A 1 195 ? -9.416 -7.573 -25.794 1.00 47.58 ? 176 TYR H OH 1 ATOM 1439 N N . SER A 1 196 ? -3.144 -4.810 -21.045 1.00 23.50 ? 177 SER H N 1 ATOM 1440 C CA . SER A 1 196 ? -2.063 -4.762 -20.067 1.00 23.17 ? 177 SER H CA 1 ATOM 1441 C C . SER A 1 196 ? -2.378 -5.692 -18.903 1.00 22.42 ? 177 SER H C 1 ATOM 1442 O O . SER A 1 196 ? -3.516 -5.756 -18.438 1.00 22.75 ? 177 SER H O 1 ATOM 1443 C CB . SER A 1 196 ? -1.859 -3.336 -19.549 1.00 26.22 ? 177 SER H CB 1 ATOM 1444 O OG . SER A 1 196 ? -1.372 -2.482 -20.567 1.00 27.55 ? 177 SER H OG 1 ATOM 1445 N N . LEU A 1 197 ? -1.370 -6.417 -18.435 1.00 25.44 ? 178 LEU H N 1 ATOM 1446 C CA . LEU A 1 197 ? -1.539 -7.278 -17.272 1.00 24.05 ? 178 LEU H CA 1 ATOM 1447 C C . LEU A 1 197 ? -0.300 -7.235 -16.395 1.00 22.27 ? 178 LEU H C 1 ATOM 1448 O O . LEU A 1 197 ? 0.762 -6.782 -16.823 1.00 18.91 ? 178 LEU H O 1 ATOM 1449 C CB . LEU A 1 197 ? -1.848 -8.719 -17.690 1.00 25.96 ? 178 LEU H CB 1 ATOM 1450 C CG . LEU A 1 197 ? -0.746 -9.539 -18.367 1.00 25.27 ? 178 LEU H CG 1 ATOM 1451 C CD1 . LEU A 1 197 ? 0.396 -9.826 -17.409 1.00 15.20 ? 178 LEU H CD1 1 ATOM 1452 C CD2 . LEU A 1 197 ? -1.314 -10.835 -18.914 1.00 27.16 ? 178 LEU H CD2 1 ATOM 1453 N N . SER A 1 198 ? -0.442 -7.706 -15.163 1.00 28.12 ? 179 SER H N 1 ATOM 1454 C CA . SER A 1 198 ? 0.676 -7.738 -14.232 1.00 25.41 ? 179 SER H CA 1 ATOM 1455 C C . SER A 1 198 ? 0.894 -9.144 -13.691 1.00 22.81 ? 179 SER H C 1 ATOM 1456 O O . SER A 1 198 ? -0.058 -9.863 -13.389 1.00 24.08 ? 179 SER H O 1 ATOM 1457 C CB . SER A 1 198 ? 0.442 -6.759 -13.080 1.00 22.25 ? 179 SER H CB 1 ATOM 1458 O OG . SER A 1 198 ? 0.307 -5.432 -13.558 1.00 26.93 ? 179 SER H OG 1 ATOM 1459 N N . SER A 1 199 ? 2.158 -9.535 -13.584 1.00 26.69 ? 180 SER H N 1 ATOM 1460 C CA . SER A 1 199 ? 2.518 -10.809 -12.982 1.00 23.51 ? 180 SER H CA 1 ATOM 1461 C C . SER A 1 199 ? 3.357 -10.553 -11.739 1.00 27.85 ? 180 SER H C 1 ATOM 1462 O O . SER A 1 199 ? 4.483 -10.068 -11.830 1.00 33.26 ? 180 SER H O 1 ATOM 1463 C CB . SER A 1 199 ? 3.292 -11.677 -13.974 1.00 25.70 ? 180 SER H CB 1 ATOM 1464 O OG . SER A 1 199 ? 3.641 -12.920 -13.390 1.00 26.01 ? 180 SER H OG 1 ATOM 1465 N N . VAL A 1 200 ? 2.799 -10.867 -10.577 1.00 24.25 ? 181 VAL H N 1 ATOM 1466 C CA . VAL A 1 200 ? 3.493 -10.643 -9.316 1.00 25.65 ? 181 VAL H CA 1 ATOM 1467 C C . VAL A 1 200 ? 3.774 -11.954 -8.590 1.00 25.63 ? 181 VAL H C 1 ATOM 1468 O O . VAL A 1 200 ? 2.928 -12.844 -8.536 1.00 35.80 ? 181 VAL H O 1 ATOM 1469 C CB . VAL A 1 200 ? 2.707 -9.684 -8.393 1.00 31.19 ? 181 VAL H CB 1 ATOM 1470 C CG1 . VAL A 1 200 ? 1.276 -10.151 -8.233 1.00 42.59 ? 181 VAL H CG1 1 ATOM 1471 C CG2 . VAL A 1 200 ? 3.390 -9.564 -7.038 1.00 36.54 ? 181 VAL H CG2 1 ATOM 1472 N N . VAL A 1 201 ? 4.979 -12.069 -8.047 1.00 19.59 ? 182 VAL H N 1 ATOM 1473 C CA . VAL A 1 201 ? 5.358 -13.230 -7.260 1.00 23.72 ? 182 VAL H CA 1 ATOM 1474 C C . VAL A 1 201 ? 5.636 -12.815 -5.818 1.00 23.15 ? 182 VAL H C 1 ATOM 1475 O O . VAL A 1 201 ? 6.414 -11.895 -5.567 1.00 25.20 ? 182 VAL H O 1 ATOM 1476 C CB . VAL A 1 201 ? 6.594 -13.934 -7.854 1.00 19.75 ? 182 VAL H CB 1 ATOM 1477 C CG1 . VAL A 1 201 ? 7.680 -12.922 -8.164 1.00 23.36 ? 182 VAL H CG1 1 ATOM 1478 C CG2 . VAL A 1 201 ? 7.105 -15.004 -6.907 1.00 18.96 ? 182 VAL H CG2 1 ATOM 1479 N N . THR A 1 202 ? 4.984 -13.485 -4.873 1.00 24.70 ? 183 THR H N 1 ATOM 1480 C CA . THR A 1 202 ? 5.185 -13.197 -3.458 1.00 27.25 ? 183 THR H CA 1 ATOM 1481 C C . THR A 1 202 ? 6.374 -13.984 -2.919 1.00 24.40 ? 183 THR H C 1 ATOM 1482 O O . THR A 1 202 ? 6.442 -15.204 -3.071 1.00 29.36 ? 183 THR H O 1 ATOM 1483 C CB . THR A 1 202 ? 3.935 -13.539 -2.624 1.00 33.48 ? 183 THR H CB 1 ATOM 1484 O OG1 . THR A 1 202 ? 2.789 -12.883 -3.181 1.00 31.42 ? 183 THR H OG1 1 ATOM 1485 C CG2 . THR A 1 202 ? 4.121 -13.091 -1.183 1.00 35.44 ? 183 THR H CG2 1 ATOM 1486 N N . VAL A 1 203 ? 7.311 -13.282 -2.291 1.00 26.03 ? 184 VAL H N 1 ATOM 1487 C CA . VAL A 1 203 ? 8.516 -13.913 -1.769 1.00 25.07 ? 184 VAL H CA 1 ATOM 1488 C C . VAL A 1 203 ? 8.860 -13.392 -0.380 1.00 29.42 ? 184 VAL H C 1 ATOM 1489 O O . VAL A 1 203 ? 8.391 -12.327 0.022 1.00 37.34 ? 184 VAL H O 1 ATOM 1490 C CB . VAL A 1 203 ? 9.723 -13.664 -2.690 1.00 28.53 ? 184 VAL H CB 1 ATOM 1491 C CG1 . VAL A 1 203 ? 9.408 -14.110 -4.108 1.00 24.02 ? 184 VAL H CG1 1 ATOM 1492 C CG2 . VAL A 1 203 ? 10.112 -12.192 -2.663 1.00 30.44 ? 184 VAL H CG2 1 ATOM 1493 N N . PRO A 1 204 ? 9.679 -14.153 0.362 1.00 22.55 ? 185 PRO H N 1 ATOM 1494 C CA . PRO A 1 204 ? 10.188 -13.706 1.661 1.00 21.90 ? 185 PRO H CA 1 ATOM 1495 C C . PRO A 1 204 ? 11.142 -12.538 1.468 1.00 40.26 ? 185 PRO H C 1 ATOM 1496 O O . PRO A 1 204 ? 11.979 -12.580 0.566 1.00 36.95 ? 185 PRO H O 1 ATOM 1497 C CB . PRO A 1 204 ? 10.959 -14.926 2.175 1.00 22.30 ? 185 PRO H CB 1 ATOM 1498 C CG . PRO A 1 204 ? 10.427 -16.083 1.397 1.00 23.64 ? 185 PRO H CG 1 ATOM 1499 C CD . PRO A 1 204 ? 10.096 -15.529 0.051 1.00 25.62 ? 185 PRO H CD 1 ATOM 1500 N N . SER A 1 205 ? 11.012 -11.509 2.298 1.00 41.92 ? 186 SER H N 1 ATOM 1501 C CA . SER A 1 205 ? 11.882 -10.342 2.207 1.00 34.08 ? 186 SER H CA 1 ATOM 1502 C C . SER A 1 205 ? 13.346 -10.744 2.316 1.00 36.30 ? 186 SER H C 1 ATOM 1503 O O . SER A 1 205 ? 14.199 -10.223 1.600 1.00 44.54 ? 186 SER H O 1 ATOM 1504 C CB . SER A 1 205 ? 11.541 -9.328 3.299 1.00 30.23 ? 186 SER H CB 1 ATOM 1505 O OG . SER A 1 205 ? 10.240 -8.802 3.118 1.00 46.55 ? 186 SER H OG 1 ATOM 1506 N N . SER A 1 206 ? 13.629 -11.678 3.218 1.00 33.79 ? 187 SER H N 1 ATOM 1507 C CA . SER A 1 206 ? 14.996 -12.125 3.454 1.00 38.24 ? 187 SER H CA 1 ATOM 1508 C C . SER A 1 206 ? 15.639 -12.696 2.193 1.00 40.19 ? 187 SER H C 1 ATOM 1509 O O . SER A 1 206 ? 16.864 -12.733 2.077 1.00 42.74 ? 187 SER H O 1 ATOM 1510 C CB . SER A 1 206 ? 15.030 -13.164 4.576 1.00 36.50 ? 187 SER H CB 1 ATOM 1511 O OG . SER A 1 206 ? 14.176 -14.256 4.282 1.00 39.10 ? 187 SER H OG 1 ATOM 1512 N N . SER A 1 207 ? 14.808 -13.130 1.249 1.00 38.93 ? 188 SER H N 1 ATOM 1513 C CA . SER A 1 207 ? 15.293 -13.769 0.029 1.00 42.75 ? 188 SER H CA 1 ATOM 1514 C C . SER A 1 207 ? 15.720 -12.757 -1.026 1.00 41.46 ? 188 SER H C 1 ATOM 1515 O O . SER A 1 207 ? 16.351 -13.116 -2.019 1.00 44.84 ? 188 SER H O 1 ATOM 1516 C CB . SER A 1 207 ? 14.216 -14.681 -0.560 1.00 44.74 ? 188 SER H CB 1 ATOM 1517 O OG . SER A 1 207 ? 13.174 -13.920 -1.147 1.00 41.91 ? 188 SER H OG 1 ATOM 1518 N N . LEU A 1 208 ? 15.370 -11.495 -0.810 1.00 40.53 ? 189 LEU H N 1 ATOM 1519 C CA . LEU A 1 208 ? 15.629 -10.450 -1.795 1.00 38.87 ? 189 LEU H CA 1 ATOM 1520 C C . LEU A 1 208 ? 17.098 -10.362 -2.204 1.00 47.45 ? 189 LEU H C 1 ATOM 1521 O O . LEU A 1 208 ? 17.414 -9.941 -3.317 1.00 49.41 ? 189 LEU H O 1 ATOM 1522 C CB . LEU A 1 208 ? 15.130 -9.096 -1.286 1.00 37.55 ? 189 LEU H CB 1 ATOM 1523 C CG . LEU A 1 208 ? 13.606 -8.962 -1.224 1.00 37.60 ? 189 LEU H CG 1 ATOM 1524 C CD1 . LEU A 1 208 ? 13.197 -7.627 -0.622 1.00 37.32 ? 189 LEU H CD1 1 ATOM 1525 C CD2 . LEU A 1 208 ? 13.002 -9.135 -2.609 1.00 22.34 ? 189 LEU H CD2 1 ATOM 1526 N N . GLY A 1 209 ? 17.993 -10.761 -1.307 1.00 52.69 ? 190 GLY H N 1 ATOM 1527 C CA . GLY A 1 209 ? 19.414 -10.733 -1.601 1.00 56.05 ? 190 GLY H CA 1 ATOM 1528 C C . GLY A 1 209 ? 19.934 -12.003 -2.247 1.00 62.92 ? 190 GLY H C 1 ATOM 1529 O O . GLY A 1 209 ? 20.708 -11.956 -3.204 1.00 65.05 ? 190 GLY H O 1 ATOM 1530 N N . THR A 1 210 ? 19.493 -13.141 -1.722 1.00 63.43 ? 191 THR H N 1 ATOM 1531 C CA . THR A 1 210 ? 19.951 -14.448 -2.182 1.00 62.79 ? 191 THR H CA 1 ATOM 1532 C C . THR A 1 210 ? 19.512 -14.741 -3.617 1.00 57.70 ? 191 THR H C 1 ATOM 1533 O O . THR A 1 210 ? 20.343 -14.908 -4.509 1.00 46.52 ? 191 THR H O 1 ATOM 1534 C CB . THR A 1 210 ? 19.428 -15.574 -1.269 1.00 67.37 ? 191 THR H CB 1 ATOM 1535 O OG1 . THR A 1 210 ? 19.900 -15.366 0.068 1.00 70.69 ? 191 THR H OG1 1 ATOM 1536 C CG2 . THR A 1 210 ? 19.901 -16.931 -1.767 1.00 71.94 ? 191 THR H CG2 1 ATOM 1537 N N . GLN A 1 211 ? 18.202 -14.806 -3.829 1.00 61.58 ? 192 GLN H N 1 ATOM 1538 C CA . GLN A 1 211 ? 17.650 -15.209 -5.119 1.00 48.58 ? 192 GLN H CA 1 ATOM 1539 C C . GLN A 1 211 ? 17.632 -14.071 -6.137 1.00 50.81 ? 192 GLN H C 1 ATOM 1540 O O . GLN A 1 211 ? 17.563 -12.896 -5.774 1.00 57.29 ? 192 GLN H O 1 ATOM 1541 C CB . GLN A 1 211 ? 16.236 -15.767 -4.935 1.00 35.14 ? 192 GLN H CB 1 ATOM 1542 C CG . GLN A 1 211 ? 15.544 -16.166 -6.229 1.00 42.49 ? 192 GLN H CG 1 ATOM 1543 C CD . GLN A 1 211 ? 16.041 -17.489 -6.781 1.00 45.94 ? 192 GLN H CD 1 ATOM 1544 O OE1 . GLN A 1 211 ? 16.212 -17.644 -7.990 1.00 50.66 ? 192 GLN H OE1 1 ATOM 1545 N NE2 . GLN A 1 211 ? 16.264 -18.455 -5.895 1.00 35.50 ? 192 GLN H NE2 1 ATOM 1546 N N . THR A 1 212 ? 17.699 -14.435 -7.415 1.00 38.90 ? 193 THR H N 1 ATOM 1547 C CA . THR A 1 212 ? 17.589 -13.472 -8.506 1.00 33.33 ? 193 THR H CA 1 ATOM 1548 C C . THR A 1 212 ? 16.265 -13.667 -9.232 1.00 30.31 ? 193 THR H C 1 ATOM 1549 O O . THR A 1 212 ? 15.859 -14.797 -9.499 1.00 41.77 ? 193 THR H O 1 ATOM 1550 C CB . THR A 1 212 ? 18.742 -13.626 -9.511 1.00 35.80 ? 193 THR H CB 1 ATOM 1551 O OG1 . THR A 1 212 ? 19.954 -13.137 -8.926 1.00 40.88 ? 193 THR H OG1 1 ATOM 1552 C CG2 . THR A 1 212 ? 18.449 -12.845 -10.785 1.00 42.06 ? 193 THR H CG2 1 ATOM 1553 N N . TYR A 1 213 ? 15.593 -12.568 -9.558 1.00 22.66 ? 194 TYR H N 1 ATOM 1554 C CA . TYR A 1 213 ? 14.260 -12.653 -10.147 1.00 28.47 ? 194 TYR H CA 1 ATOM 1555 C C . TYR A 1 213 ? 14.169 -12.100 -11.569 1.00 32.77 ? 194 TYR H C 1 ATOM 1556 O O . TYR A 1 213 ? 14.517 -10.947 -11.830 1.00 23.93 ? 194 TYR H O 1 ATOM 1557 C CB . TYR A 1 213 ? 13.236 -11.967 -9.243 1.00 26.47 ? 194 TYR H CB 1 ATOM 1558 C CG . TYR A 1 213 ? 13.130 -12.583 -7.868 1.00 25.08 ? 194 TYR H CG 1 ATOM 1559 C CD1 . TYR A 1 213 ? 12.420 -13.759 -7.668 1.00 28.37 ? 194 TYR H CD1 1 ATOM 1560 C CD2 . TYR A 1 213 ? 13.732 -11.987 -6.769 1.00 28.21 ? 194 TYR H CD2 1 ATOM 1561 C CE1 . TYR A 1 213 ? 12.315 -14.327 -6.412 1.00 29.65 ? 194 TYR H CE1 1 ATOM 1562 C CE2 . TYR A 1 213 ? 13.632 -12.546 -5.508 1.00 30.37 ? 194 TYR H CE2 1 ATOM 1563 C CZ . TYR A 1 213 ? 12.922 -13.716 -5.335 1.00 32.73 ? 194 TYR H CZ 1 ATOM 1564 O OH . TYR A 1 213 ? 12.817 -14.282 -4.084 1.00 35.63 ? 194 TYR H OH 1 ATOM 1565 N N . ILE A 1 214 ? 13.686 -12.939 -12.481 1.00 31.62 ? 195 ILE H N 1 ATOM 1566 C CA . ILE A 1 214 ? 13.526 -12.563 -13.879 1.00 27.89 ? 195 ILE H CA 1 ATOM 1567 C C . ILE A 1 214 ? 12.212 -13.098 -14.430 1.00 23.41 ? 195 ILE H C 1 ATOM 1568 O O . ILE A 1 214 ? 11.940 -14.296 -14.352 1.00 23.07 ? 195 ILE H O 1 ATOM 1569 C CB . ILE A 1 214 ? 14.669 -13.120 -14.746 1.00 28.94 ? 195 ILE H CB 1 ATOM 1570 C CG1 . ILE A 1 214 ? 16.027 -12.717 -14.170 1.00 24.83 ? 195 ILE H CG1 1 ATOM 1571 C CG2 . ILE A 1 214 ? 14.524 -12.647 -16.186 1.00 26.30 ? 195 ILE H CG2 1 ATOM 1572 C CD1 . ILE A 1 214 ? 17.203 -13.284 -14.934 1.00 22.08 ? 195 ILE H CD1 1 ATOM 1573 N N . CYS A 1 215 ? 11.397 -12.210 -14.987 1.00 18.32 ? 196 CYS H N 1 ATOM 1574 C CA . CYS A 1 215 ? 10.145 -12.630 -15.602 1.00 33.75 ? 196 CYS H CA 1 ATOM 1575 C C . CYS A 1 215 ? 10.336 -12.827 -17.098 1.00 25.72 ? 196 CYS H C 1 ATOM 1576 O O . CYS A 1 215 ? 10.922 -11.987 -17.778 1.00 29.54 ? 196 CYS H O 1 ATOM 1577 C CB . CYS A 1 215 ? 9.026 -11.620 -15.331 1.00 49.57 ? 196 CYS H CB 1 ATOM 1578 S SG . CYS A 1 215 ? 9.126 -10.094 -16.287 1.00 48.58 ? 196 CYS H SG 1 ATOM 1579 N N . ASN A 1 216 ? 9.845 -13.951 -17.603 1.00 26.59 ? 197 ASN H N 1 ATOM 1580 C CA . ASN A 1 216 ? 9.969 -14.272 -19.016 1.00 24.95 ? 197 ASN H CA 1 ATOM 1581 C C . ASN A 1 216 ? 8.638 -14.064 -19.727 1.00 30.30 ? 197 ASN H C 1 ATOM 1582 O O . ASN A 1 216 ? 7.680 -14.802 -19.498 1.00 31.99 ? 197 ASN H O 1 ATOM 1583 C CB . ASN A 1 216 ? 10.456 -15.711 -19.187 1.00 24.11 ? 197 ASN H CB 1 ATOM 1584 C CG . ASN A 1 216 ? 11.482 -16.106 -18.138 1.00 34.21 ? 197 ASN H CG 1 ATOM 1585 O OD1 . ASN A 1 216 ? 11.148 -16.736 -17.133 1.00 31.46 ? 197 ASN H OD1 1 ATOM 1586 N ND2 . ASN A 1 216 ? 12.736 -15.727 -18.361 1.00 20.43 ? 197 ASN H ND2 1 ATOM 1587 N N . VAL A 1 217 ? 8.579 -13.049 -20.582 1.00 31.80 ? 198 VAL H N 1 ATOM 1588 C CA . VAL A 1 217 ? 7.334 -12.691 -21.252 1.00 27.14 ? 198 VAL H CA 1 ATOM 1589 C C . VAL A 1 217 ? 7.350 -13.081 -22.723 1.00 27.98 ? 198 VAL H C 1 ATOM 1590 O O . VAL A 1 217 ? 8.292 -12.770 -23.453 1.00 21.41 ? 198 VAL H O 1 ATOM 1591 C CB . VAL A 1 217 ? 7.042 -11.185 -21.144 1.00 19.14 ? 198 VAL H CB 1 ATOM 1592 C CG1 . VAL A 1 217 ? 5.682 -10.870 -21.750 1.00 20.64 ? 198 VAL H CG1 1 ATOM 1593 C CG2 . VAL A 1 217 ? 7.102 -10.734 -19.694 1.00 18.36 ? 198 VAL H CG2 1 ATOM 1594 N N . ASN A 1 218 ? 6.293 -13.759 -23.155 1.00 31.96 ? 199 ASN H N 1 ATOM 1595 C CA . ASN A 1 218 ? 6.189 -14.199 -24.537 1.00 31.99 ? 199 ASN H CA 1 ATOM 1596 C C . ASN A 1 218 ? 4.868 -13.776 -25.169 1.00 32.61 ? 199 ASN H C 1 ATOM 1597 O O . ASN A 1 218 ? 3.798 -14.001 -24.603 1.00 34.88 ? 199 ASN H O 1 ATOM 1598 C CB . ASN A 1 218 ? 6.361 -15.716 -24.626 1.00 39.27 ? 199 ASN H CB 1 ATOM 1599 C CG . ASN A 1 218 ? 6.915 -16.160 -25.963 1.00 51.74 ? 199 ASN H CG 1 ATOM 1600 O OD1 . ASN A 1 218 ? 8.131 -16.219 -26.154 1.00 57.52 ? 199 ASN H OD1 1 ATOM 1601 N ND2 . ASN A 1 218 ? 6.026 -16.473 -26.900 1.00 51.63 ? 199 ASN H ND2 1 ATOM 1602 N N . HIS A 1 219 ? 4.954 -13.154 -26.340 1.00 33.41 ? 200 HIS H N 1 ATOM 1603 C CA . HIS A 1 219 ? 3.772 -12.716 -27.072 1.00 31.37 ? 200 HIS H CA 1 ATOM 1604 C C . HIS A 1 219 ? 3.860 -13.175 -28.526 1.00 37.93 ? 200 HIS H C 1 ATOM 1605 O O . HIS A 1 219 ? 4.533 -12.552 -29.348 1.00 38.79 ? 200 HIS H O 1 ATOM 1606 C CB . HIS A 1 219 ? 3.626 -11.195 -26.990 1.00 29.93 ? 200 HIS H CB 1 ATOM 1607 C CG . HIS A 1 219 ? 2.387 -10.669 -27.646 1.00 34.82 ? 200 HIS H CG 1 ATOM 1608 N ND1 . HIS A 1 219 ? 2.420 -9.867 -28.764 1.00 38.96 ? 200 HIS H ND1 1 ATOM 1609 C CD2 . HIS A 1 219 ? 1.078 -10.839 -27.341 1.00 33.17 ? 200 HIS H CD2 1 ATOM 1610 C CE1 . HIS A 1 219 ? 1.184 -9.560 -29.120 1.00 38.62 ? 200 HIS H CE1 1 ATOM 1611 N NE2 . HIS A 1 219 ? 0.352 -10.136 -28.273 1.00 39.63 ? 200 HIS H NE2 1 ATOM 1612 N N . LYS A 1 220 ? 3.174 -14.272 -28.833 1.00 38.70 ? 201 LYS H N 1 ATOM 1613 C CA . LYS A 1 220 ? 3.286 -14.923 -30.136 1.00 35.96 ? 201 LYS H CA 1 ATOM 1614 C C . LYS A 1 220 ? 2.905 -14.043 -31.327 1.00 38.47 ? 201 LYS H C 1 ATOM 1615 O O . LYS A 1 220 ? 3.682 -13.914 -32.274 1.00 43.00 ? 201 LYS H O 1 ATOM 1616 C CB . LYS A 1 220 ? 2.483 -16.226 -30.152 1.00 31.05 ? 201 LYS H CB 1 ATOM 1617 C CG . LYS A 1 220 ? 3.259 -17.422 -29.631 0.00 30.99 ? 201 LYS H CG 1 ATOM 1618 C CD . LYS A 1 220 ? 2.391 -18.343 -28.791 0.00 30.00 ? 201 LYS H CD 1 ATOM 1619 C CE . LYS A 1 220 ? 3.204 -19.515 -28.261 0.00 30.07 ? 201 LYS H CE 1 ATOM 1620 N NZ . LYS A 1 220 ? 2.521 -20.211 -27.135 0.00 29.05 ? 201 LYS H NZ 1 ATOM 1621 N N . PRO A 1 221 ? 1.711 -13.432 -31.283 1.00 36.94 ? 202 PRO H N 1 ATOM 1622 C CA . PRO A 1 221 ? 1.202 -12.649 -32.415 1.00 40.39 ? 202 PRO H CA 1 ATOM 1623 C C . PRO A 1 221 ? 2.240 -11.697 -33.009 1.00 45.68 ? 202 PRO H C 1 ATOM 1624 O O . PRO A 1 221 ? 2.212 -11.444 -34.214 1.00 49.55 ? 202 PRO H O 1 ATOM 1625 C CB . PRO A 1 221 ? 0.049 -11.860 -31.795 1.00 36.64 ? 202 PRO H CB 1 ATOM 1626 C CG . PRO A 1 221 ? -0.441 -12.738 -30.700 1.00 24.77 ? 202 PRO H CG 1 ATOM 1627 C CD . PRO A 1 221 ? 0.784 -13.410 -30.138 1.00 35.43 ? 202 PRO H CD 1 ATOM 1628 N N . SER A 1 222 ? 3.142 -11.182 -32.179 1.00 41.46 ? 203 SER H N 1 ATOM 1629 C CA . SER A 1 222 ? 4.173 -10.264 -32.654 1.00 38.70 ? 203 SER H CA 1 ATOM 1630 C C . SER A 1 222 ? 5.567 -10.867 -32.509 1.00 44.82 ? 203 SER H C 1 ATOM 1631 O O . SER A 1 222 ? 6.571 -10.167 -32.654 1.00 47.00 ? 203 SER H O 1 ATOM 1632 C CB . SER A 1 222 ? 4.100 -8.938 -31.897 1.00 30.37 ? 203 SER H CB 1 ATOM 1633 O OG . SER A 1 222 ? 4.407 -9.121 -30.526 1.00 32.22 ? 203 SER H OG 1 ATOM 1634 N N . ASN A 1 223 ? 5.620 -12.164 -32.221 1.00 48.57 ? 204 ASN H N 1 ATOM 1635 C CA . ASN A 1 223 ? 6.890 -12.862 -32.033 1.00 47.23 ? 204 ASN H CA 1 ATOM 1636 C C . ASN A 1 223 ? 7.843 -12.097 -31.122 1.00 40.04 ? 204 ASN H C 1 ATOM 1637 O O . ASN A 1 223 ? 8.987 -11.827 -31.489 1.00 40.02 ? 204 ASN H O 1 ATOM 1638 C CB . ASN A 1 223 ? 7.560 -13.139 -33.381 1.00 57.81 ? 204 ASN H CB 1 ATOM 1639 C CG . ASN A 1 223 ? 6.770 -14.111 -34.236 1.00 68.11 ? 204 ASN H CG 1 ATOM 1640 O OD1 . ASN A 1 223 ? 6.105 -15.009 -33.719 1.00 72.03 ? 204 ASN H OD1 1 ATOM 1641 N ND2 . ASN A 1 223 ? 6.837 -13.934 -35.551 1.00 64.54 ? 204 ASN H ND2 1 ATOM 1642 N N . THR A 1 224 ? 7.362 -11.749 -29.933 1.00 35.78 ? 205 THR H N 1 ATOM 1643 C CA . THR A 1 224 ? 8.168 -11.016 -28.966 1.00 42.55 ? 205 THR H CA 1 ATOM 1644 C C . THR A 1 224 ? 8.547 -11.901 -27.782 1.00 51.07 ? 205 THR H C 1 ATOM 1645 O O . THR A 1 224 ? 7.701 -12.597 -27.220 1.00 56.40 ? 205 THR H O 1 ATOM 1646 C CB . THR A 1 224 ? 7.426 -9.769 -28.442 1.00 43.90 ? 205 THR H CB 1 ATOM 1647 O OG1 . THR A 1 224 ? 7.089 -8.910 -29.538 1.00 51.76 ? 205 THR H OG1 1 ATOM 1648 C CG2 . THR A 1 224 ? 8.294 -9.008 -27.453 1.00 34.29 ? 205 THR H CG2 1 ATOM 1649 N N . LYS A 1 225 ? 9.825 -11.874 -27.414 1.00 44.62 ? 206 LYS H N 1 ATOM 1650 C CA . LYS A 1 225 ? 10.305 -12.579 -26.230 1.00 38.39 ? 206 LYS H CA 1 ATOM 1651 C C . LYS A 1 225 ? 11.186 -11.657 -25.395 1.00 43.45 ? 206 LYS H C 1 ATOM 1652 O O . LYS A 1 225 ? 12.240 -11.213 -25.850 1.00 42.86 ? 206 LYS H O 1 ATOM 1653 C CB . LYS A 1 225 ? 11.071 -13.846 -26.618 1.00 34.96 ? 206 LYS H CB 1 ATOM 1654 C CG . LYS A 1 225 ? 11.794 -14.512 -25.455 0.00 33.02 ? 206 LYS H CG 1 ATOM 1655 C CD . LYS A 1 225 ? 12.261 -15.914 -25.815 0.00 32.77 ? 206 LYS H CD 1 ATOM 1656 C CE . LYS A 1 225 ? 11.081 -16.859 -25.989 0.00 31.71 ? 206 LYS H CE 1 ATOM 1657 N NZ . LYS A 1 225 ? 11.515 -18.247 -26.312 0.00 32.20 ? 206 LYS H NZ 1 ATOM 1658 N N . VAL A 1 226 ? 10.746 -11.371 -24.173 1.00 42.47 ? 207 VAL H N 1 ATOM 1659 C CA . VAL A 1 226 ? 11.451 -10.435 -23.305 1.00 40.39 ? 207 VAL H CA 1 ATOM 1660 C C . VAL A 1 226 ? 11.739 -11.038 -21.934 1.00 42.79 ? 207 VAL H C 1 ATOM 1661 O O . VAL A 1 226 ? 10.860 -11.630 -21.307 1.00 46.27 ? 207 VAL H O 1 ATOM 1662 C CB . VAL A 1 226 ? 10.641 -9.138 -23.105 1.00 39.16 ? 207 VAL H CB 1 ATOM 1663 C CG1 . VAL A 1 226 ? 11.457 -8.118 -22.324 1.00 32.33 ? 207 VAL H CG1 1 ATOM 1664 C CG2 . VAL A 1 226 ? 10.203 -8.570 -24.447 1.00 40.36 ? 207 VAL H CG2 1 ATOM 1665 N N . ASP A 1 227 ? 12.976 -10.879 -21.474 1.00 38.82 ? 208 ASP H N 1 ATOM 1666 C CA . ASP A 1 227 ? 13.370 -11.329 -20.146 1.00 34.16 ? 208 ASP H CA 1 ATOM 1667 C C . ASP A 1 227 ? 13.717 -10.119 -19.290 1.00 32.98 ? 208 ASP H C 1 ATOM 1668 O O . ASP A 1 227 ? 14.763 -9.499 -19.475 1.00 44.68 ? 208 ASP H O 1 ATOM 1669 C CB . ASP A 1 227 ? 14.573 -12.269 -20.230 1.00 35.57 ? 208 ASP H CB 1 ATOM 1670 C CG . ASP A 1 227 ? 14.315 -13.473 -21.118 1.00 45.89 ? 208 ASP H CG 1 ATOM 1671 O OD1 . ASP A 1 227 ? 13.801 -14.489 -20.606 1.00 43.46 ? 208 ASP H OD1 1 ATOM 1672 O OD2 . ASP A 1 227 ? 14.630 -13.404 -22.326 1.00 55.48 ? 208 ASP H OD2 1 ATOM 1673 N N . LYS A 1 228 ? 12.835 -9.780 -18.357 1.00 29.07 ? 209 LYS H N 1 ATOM 1674 C CA . LYS A 1 228 ? 13.038 -8.603 -17.520 1.00 23.39 ? 209 LYS H CA 1 ATOM 1675 C C . LYS A 1 228 ? 13.446 -8.960 -16.099 1.00 28.97 ? 209 LYS H C 1 ATOM 1676 O O . LYS A 1 228 ? 12.682 -9.576 -15.355 1.00 30.00 ? 209 LYS H O 1 ATOM 1677 C CB . LYS A 1 228 ? 11.782 -7.730 -17.500 1.00 27.92 ? 209 LYS H CB 1 ATOM 1678 C CG . LYS A 1 228 ? 11.711 -6.716 -18.629 1.00 48.65 ? 209 LYS H CG 1 ATOM 1679 C CD . LYS A 1 228 ? 12.690 -5.573 -18.406 1.00 54.30 ? 209 LYS H CD 1 ATOM 1680 C CE . LYS A 1 228 ? 12.575 -4.525 -19.505 1.00 57.02 ? 209 LYS H CE 1 ATOM 1681 N NZ . LYS A 1 228 ? 13.355 -3.293 -19.194 1.00 57.82 ? 209 LYS H NZ 1 ATOM 1682 N N . ARG A 1 229 ? 14.656 -8.560 -15.723 1.00 22.82 ? 210 ARG H N 1 ATOM 1683 C CA . ARG A 1 229 ? 15.129 -8.756 -14.361 1.00 27.28 ? 210 ARG H CA 1 ATOM 1684 C C . ARG A 1 229 ? 14.522 -7.696 -13.453 1.00 20.51 ? 210 ARG H C 1 ATOM 1685 O O . ARG A 1 229 ? 14.487 -6.521 -13.799 1.00 34.16 ? 210 ARG H O 1 ATOM 1686 C CB . ARG A 1 229 ? 16.659 -8.703 -14.286 1.00 21.60 ? 210 ARG H CB 1 ATOM 1687 C CG . ARG A 1 229 ? 17.376 -9.874 -14.944 0.00 25.92 ? 210 ARG H CG 1 ATOM 1688 C CD . ARG A 1 229 ? 18.849 -9.912 -14.554 0.00 26.74 ? 210 ARG H CD 1 ATOM 1689 N NE . ARG A 1 229 ? 19.584 -8.734 -15.007 0.00 27.91 ? 210 ARG H NE 1 ATOM 1690 C CZ . ARG A 1 229 ? 20.132 -8.614 -16.213 0.00 28.95 ? 210 ARG H CZ 1 ATOM 1691 N NH1 . ARG A 1 229 ? 20.025 -9.597 -17.094 0.00 28.95 ? 210 ARG H NH1 1 ATOM 1692 N NH2 . ARG A 1 229 ? 20.787 -7.511 -16.540 0.00 30.16 ? 210 ARG H NH2 1 ATOM 1693 N N . VAL A 1 230 ? 14.036 -8.122 -12.296 1.00 29.29 ? 211 VAL H N 1 ATOM 1694 C CA . VAL A 1 230 ? 13.423 -7.206 -11.345 1.00 33.10 ? 211 VAL H CA 1 ATOM 1695 C C . VAL A 1 230 ? 14.135 -7.238 -9.998 1.00 32.98 ? 211 VAL H C 1 ATOM 1696 O O . VAL A 1 230 ? 14.293 -8.296 -9.391 1.00 37.41 ? 211 VAL H O 1 ATOM 1697 C CB . VAL A 1 230 ? 11.922 -7.507 -11.144 1.00 31.11 ? 211 VAL H CB 1 ATOM 1698 C CG1 . VAL A 1 230 ? 11.693 -8.998 -10.975 1.00 48.26 ? 211 VAL H CG1 1 ATOM 1699 C CG2 . VAL A 1 230 ? 11.384 -6.740 -9.947 1.00 30.67 ? 211 VAL H CG2 1 ATOM 1700 N N . GLU A 1 231 ? 14.570 -6.067 -9.544 1.00 33.24 ? 212 GLU H N 1 ATOM 1701 C CA . GLU A 1 231 ? 15.228 -5.939 -8.252 1.00 37.68 ? 212 GLU H CA 1 ATOM 1702 C C . GLU A 1 231 ? 14.681 -4.733 -7.500 1.00 51.28 ? 212 GLU H C 1 ATOM 1703 O O . GLU A 1 231 ? 13.965 -3.911 -8.073 1.00 56.32 ? 212 GLU H O 1 ATOM 1704 C CB . GLU A 1 231 ? 16.743 -5.816 -8.426 1.00 36.25 ? 212 GLU H CB 1 ATOM 1705 C CG . GLU A 1 231 ? 17.412 -7.076 -8.955 0.00 35.39 ? 212 GLU H CG 1 ATOM 1706 C CD . GLU A 1 231 ? 18.900 -6.891 -9.182 0.00 35.87 ? 212 GLU H CD 1 ATOM 1707 O OE1 . GLU A 1 231 ? 19.376 -5.739 -9.110 0.00 36.64 ? 212 GLU H OE1 1 ATOM 1708 O OE2 . GLU A 1 231 ? 19.594 -7.899 -9.435 0.00 35.54 ? 212 GLU H OE2 1 ATOM 1709 N N . PRO A 1 232 ? 15.013 -4.629 -6.206 1.00 55.85 ? 213 PRO H N 1 ATOM 1710 C CA . PRO A 1 232 ? 14.576 -3.514 -5.363 1.00 37.07 ? 213 PRO H CA 1 ATOM 1711 C C . PRO A 1 232 ? 15.508 -2.312 -5.495 1.00 37.36 ? 213 PRO H C 1 ATOM 1712 O O . PRO A 1 232 ? 15.331 -1.328 -4.774 1.00 48.54 ? 213 PRO H O 1 ATOM 1713 C CB . PRO A 1 232 ? 14.660 -4.103 -3.956 1.00 32.51 ? 213 PRO H CB 1 ATOM 1714 C CG . PRO A 1 232 ? 15.785 -5.077 -4.040 1.00 29.00 ? 213 PRO H CG 1 ATOM 1715 C CD . PRO A 1 232 ? 15.777 -5.633 -5.445 1.00 27.51 ? 213 PRO H CD 1 ATOM 1716 N N . ASP B 2 2 ? -23.962 5.886 -0.814 1.00 34.08 ? 10 ASP L N 1 ATOM 1717 C CA . ASP B 2 2 ? -23.771 4.455 -0.600 1.00 29.74 ? 10 ASP L CA 1 ATOM 1718 C C . ASP B 2 2 ? -24.116 4.057 0.828 1.00 32.64 ? 10 ASP L C 1 ATOM 1719 O O . ASP B 2 2 ? -23.625 4.652 1.786 1.00 48.93 ? 10 ASP L O 1 ATOM 1720 C CB . ASP B 2 2 ? -22.338 4.049 -0.935 1.00 32.87 ? 10 ASP L CB 1 ATOM 1721 C CG . ASP B 2 2 ? -22.067 4.055 -2.426 1.00 52.19 ? 10 ASP L CG 1 ATOM 1722 O OD1 . ASP B 2 2 ? -22.923 4.563 -3.185 1.00 55.74 ? 10 ASP L OD1 1 ATOM 1723 O OD2 . ASP B 2 2 ? -20.999 3.553 -2.838 1.00 51.76 ? 10 ASP L OD2 1 ATOM 1724 N N . ILE B 2 3 ? -24.964 3.043 0.962 1.00 26.27 ? 11 ILE L N 1 ATOM 1725 C CA . ILE B 2 3 ? -25.437 2.609 2.269 1.00 26.44 ? 11 ILE L CA 1 ATOM 1726 C C . ILE B 2 3 ? -25.241 1.113 2.486 1.00 31.27 ? 11 ILE L C 1 ATOM 1727 O O . ILE B 2 3 ? -25.224 0.327 1.538 1.00 28.53 ? 11 ILE L O 1 ATOM 1728 C CB . ILE B 2 3 ? -26.930 2.938 2.457 1.00 30.17 ? 11 ILE L CB 1 ATOM 1729 C CG1 . ILE B 2 3 ? -27.765 2.240 1.381 1.00 31.96 ? 11 ILE L CG1 1 ATOM 1730 C CG2 . ILE B 2 3 ? -27.157 4.442 2.416 1.00 30.51 ? 11 ILE L CG2 1 ATOM 1731 C CD1 . ILE B 2 3 ? -29.254 2.482 1.512 1.00 37.66 ? 11 ILE L CD1 1 ATOM 1732 N N . SER B 2 4 ? -25.091 0.729 3.748 1.00 29.42 ? 12 SER L N 1 ATOM 1733 C CA . SER B 2 4 ? -25.025 -0.675 4.120 1.00 29.45 ? 12 SER L CA 1 ATOM 1734 C C . SER B 2 4 ? -26.134 -0.978 5.116 1.00 29.16 ? 12 SER L C 1 ATOM 1735 O O . SER B 2 4 ? -26.329 -0.243 6.084 1.00 30.19 ? 12 SER L O 1 ATOM 1736 C CB . SER B 2 4 ? -23.659 -1.015 4.717 1.00 36.26 ? 12 SER L CB 1 ATOM 1737 O OG . SER B 2 4 ? -22.630 -0.828 3.762 1.00 38.34 ? 12 SER L OG 1 ATOM 1738 N N . VAL B 2 5 ? -26.867 -2.057 4.868 1.00 27.64 ? 13 VAL L N 1 ATOM 1739 C CA . VAL B 2 5 ? -27.989 -2.423 5.720 1.00 27.86 ? 13 VAL L CA 1 ATOM 1740 C C . VAL B 2 5 ? -27.904 -3.877 6.162 1.00 27.91 ? 13 VAL L C 1 ATOM 1741 O O . VAL B 2 5 ? -27.562 -4.759 5.374 1.00 30.57 ? 13 VAL L O 1 ATOM 1742 C CB . VAL B 2 5 ? -29.331 -2.196 5.004 1.00 39.14 ? 13 VAL L CB 1 ATOM 1743 C CG1 . VAL B 2 5 ? -30.482 -2.686 5.867 1.00 50.11 ? 13 VAL L CG1 1 ATOM 1744 C CG2 . VAL B 2 5 ? -29.504 -0.725 4.664 1.00 45.63 ? 13 VAL L CG2 1 ATOM 1745 N N . ALA B 2 6 ? -28.211 -4.118 7.431 1.00 30.94 ? 14 ALA L N 1 ATOM 1746 C CA . ALA B 2 6 ? -28.281 -5.475 7.951 1.00 32.87 ? 14 ALA L CA 1 ATOM 1747 C C . ALA B 2 6 ? -29.584 -6.118 7.492 1.00 32.33 ? 14 ALA L C 1 ATOM 1748 O O . ALA B 2 6 ? -30.618 -5.451 7.434 1.00 27.58 ? 14 ALA L O 1 ATOM 1749 C CB . ALA B 2 6 ? -28.194 -5.466 9.469 1.00 23.06 ? 14 ALA L CB 1 ATOM 1750 N N . PRO B 2 7 ? -29.536 -7.416 7.150 1.00 30.85 ? 15 PRO L N 1 ATOM 1751 C CA . PRO B 2 7 ? -30.732 -8.150 6.724 1.00 26.67 ? 15 PRO L CA 1 ATOM 1752 C C . PRO B 2 7 ? -31.870 -7.985 7.726 1.00 27.12 ? 15 PRO L C 1 ATOM 1753 O O . PRO B 2 7 ? -31.652 -8.142 8.926 1.00 32.82 ? 15 PRO L O 1 ATOM 1754 C CB . PRO B 2 7 ? -30.254 -9.604 6.702 1.00 36.69 ? 15 PRO L CB 1 ATOM 1755 C CG . PRO B 2 7 ? -28.793 -9.510 6.428 1.00 33.08 ? 15 PRO L CG 1 ATOM 1756 C CD . PRO B 2 7 ? -28.329 -8.263 7.131 1.00 33.81 ? 15 PRO L CD 1 ATOM 1757 N N . GLY B 2 8 ? -33.065 -7.668 7.236 1.00 27.10 ? 16 GLY L N 1 ATOM 1758 C CA . GLY B 2 8 ? -34.212 -7.459 8.099 1.00 25.53 ? 16 GLY L CA 1 ATOM 1759 C C . GLY B 2 8 ? -34.513 -5.986 8.298 1.00 35.45 ? 16 GLY L C 1 ATOM 1760 O O . GLY B 2 8 ? -35.666 -5.596 8.482 1.00 44.95 ? 16 GLY L O 1 ATOM 1761 N N . GLU B 2 9 ? -33.469 -5.164 8.267 1.00 28.26 ? 17 GLU L N 1 ATOM 1762 C CA . GLU B 2 9 ? -33.633 -3.723 8.393 1.00 36.03 ? 17 GLU L CA 1 ATOM 1763 C C . GLU B 2 9 ? -34.153 -3.133 7.088 1.00 34.12 ? 17 GLU L C 1 ATOM 1764 O O . GLU B 2 9 ? -34.217 -3.822 6.070 1.00 27.55 ? 17 GLU L O 1 ATOM 1765 C CB . GLU B 2 9 ? -32.313 -3.060 8.787 1.00 32.77 ? 17 GLU L CB 1 ATOM 1766 C CG . GLU B 2 9 ? -31.866 -3.377 10.202 1.00 41.51 ? 17 GLU L CG 1 ATOM 1767 C CD . GLU B 2 9 ? -30.573 -2.675 10.576 1.00 57.86 ? 17 GLU L CD 1 ATOM 1768 O OE1 . GLU B 2 9 ? -29.767 -2.375 9.669 1.00 60.14 ? 17 GLU L OE1 1 ATOM 1769 O OE2 . GLU B 2 9 ? -30.364 -2.419 11.781 1.00 61.67 ? 17 GLU L OE2 1 ATOM 1770 N N . THR B 2 10 ? -34.521 -1.857 7.119 1.00 37.53 ? 18 THR L N 1 ATOM 1771 C CA . THR B 2 10 ? -35.091 -1.207 5.944 1.00 44.67 ? 18 THR L CA 1 ATOM 1772 C C . THR B 2 10 ? -34.109 -0.224 5.311 1.00 32.54 ? 18 THR L C 1 ATOM 1773 O O . THR B 2 10 ? -33.411 0.510 6.011 1.00 31.50 ? 18 THR L O 1 ATOM 1774 C CB . THR B 2 10 ? -36.420 -0.490 6.279 1.00 50.56 ? 18 THR L CB 1 ATOM 1775 O OG1 . THR B 2 10 ? -36.995 0.051 5.083 1.00 62.38 ? 18 THR L OG1 1 ATOM 1776 C CG2 . THR B 2 10 ? -36.190 0.630 7.276 1.00 55.80 ? 18 THR L CG2 1 ATOM 1777 N N . ALA B 2 11 ? -34.057 -0.221 3.983 1.00 30.07 ? 19 ALA L N 1 ATOM 1778 C CA . ALA B 2 11 ? -33.149 0.657 3.257 1.00 37.87 ? 19 ALA L CA 1 ATOM 1779 C C . ALA B 2 11 ? -33.881 1.856 2.662 1.00 33.91 ? 19 ALA L C 1 ATOM 1780 O O . ALA B 2 11 ? -34.997 1.729 2.158 1.00 28.61 ? 19 ALA L O 1 ATOM 1781 C CB . ALA B 2 11 ? -32.421 -0.117 2.167 1.00 37.94 ? 19 ALA L CB 1 ATOM 1782 N N . ARG B 2 12 ? -33.242 3.018 2.723 1.00 32.93 ? 20 ARG L N 1 ATOM 1783 C CA . ARG B 2 12 ? -33.813 4.238 2.166 1.00 31.46 ? 20 ARG L CA 1 ATOM 1784 C C . ARG B 2 12 ? -32.834 4.922 1.220 1.00 32.96 ? 20 ARG L C 1 ATOM 1785 O O . ARG B 2 12 ? -31.747 5.335 1.623 1.00 34.89 ? 20 ARG L O 1 ATOM 1786 C CB . ARG B 2 12 ? -34.251 5.191 3.281 1.00 27.50 ? 20 ARG L CB 1 ATOM 1787 C CG . ARG B 2 12 ? -35.661 4.927 3.783 1.00 32.36 ? 20 ARG L CG 1 ATOM 1788 C CD . ARG B 2 12 ? -35.800 5.203 5.272 1.00 46.24 ? 20 ARG L CD 1 ATOM 1789 N NE . ARG B 2 12 ? -37.159 4.945 5.743 1.00 46.09 ? 20 ARG L NE 1 ATOM 1790 C CZ . ARG B 2 12 ? -37.456 4.206 6.808 1.00 50.16 ? 20 ARG L CZ 1 ATOM 1791 N NH1 . ARG B 2 12 ? -38.723 4.029 7.160 1.00 62.31 ? 20 ARG L NH1 1 ATOM 1792 N NH2 . ARG B 2 12 ? -36.488 3.648 7.524 1.00 41.85 ? 20 ARG L NH2 1 ATOM 1793 N N . ILE B 2 13 ? -33.231 5.035 -0.041 1.00 37.17 ? 21 ILE L N 1 ATOM 1794 C CA . ILE B 2 13 ? -32.380 5.622 -1.065 1.00 32.31 ? 21 ILE L CA 1 ATOM 1795 C C . ILE B 2 13 ? -33.088 6.783 -1.754 1.00 33.66 ? 21 ILE L C 1 ATOM 1796 O O . ILE B 2 13 ? -34.137 6.605 -2.372 1.00 39.81 ? 21 ILE L O 1 ATOM 1797 C CB . ILE B 2 13 ? -31.982 4.572 -2.121 1.00 33.03 ? 21 ILE L CB 1 ATOM 1798 C CG1 . ILE B 2 13 ? -31.307 3.372 -1.450 1.00 30.61 ? 21 ILE L CG1 1 ATOM 1799 C CG2 . ILE B 2 13 ? -31.074 5.185 -3.177 1.00 30.37 ? 21 ILE L CG2 1 ATOM 1800 C CD1 . ILE B 2 13 ? -30.958 2.251 -2.407 1.00 32.55 ? 21 ILE L CD1 1 ATOM 1801 N N . SER B 2 14 ? -32.512 7.974 -1.638 1.00 35.83 ? 22 SER L N 1 ATOM 1802 C CA . SER B 2 14 ? -33.056 9.153 -2.299 1.00 31.95 ? 22 SER L CA 1 ATOM 1803 C C . SER B 2 14 ? -32.326 9.397 -3.614 1.00 29.54 ? 22 SER L C 1 ATOM 1804 O O . SER B 2 14 ? -31.122 9.169 -3.717 1.00 30.71 ? 22 SER L O 1 ATOM 1805 C CB . SER B 2 14 ? -32.942 10.379 -1.391 1.00 37.23 ? 22 SER L CB 1 ATOM 1806 O OG . SER B 2 14 ? -31.587 10.674 -1.099 1.00 40.75 ? 22 SER L OG 1 ATOM 1807 N N . CYS B 2 15 ? -33.059 9.860 -4.620 1.00 33.43 ? 23 CYS L N 1 ATOM 1808 C CA . CYS B 2 15 ? -32.485 10.063 -5.943 1.00 26.71 ? 23 CYS L CA 1 ATOM 1809 C C . CYS B 2 15 ? -33.118 11.252 -6.656 1.00 29.98 ? 23 CYS L C 1 ATOM 1810 O O . CYS B 2 15 ? -34.338 11.407 -6.658 1.00 27.99 ? 23 CYS L O 1 ATOM 1811 C CB . CYS B 2 15 ? -32.647 8.796 -6.788 1.00 21.14 ? 23 CYS L CB 1 ATOM 1812 S SG . CYS B 2 15 ? -32.074 8.950 -8.498 1.00 63.87 ? 23 CYS L SG 1 ATOM 1813 N N . GLY B 2 16 ? -32.281 12.092 -7.257 1.00 31.83 ? 24 GLY L N 1 ATOM 1814 C CA . GLY B 2 16 ? -32.760 13.211 -8.048 1.00 31.57 ? 24 GLY L CA 1 ATOM 1815 C C . GLY B 2 16 ? -32.950 14.501 -7.273 1.00 33.93 ? 24 GLY L C 1 ATOM 1816 O O . GLY B 2 16 ? -32.773 14.547 -6.055 1.00 30.17 ? 24 GLY L O 1 ATOM 1817 N N . GLU B 2 17 ? -33.318 15.557 -7.993 1.00 32.52 ? 25 GLU L N 1 ATOM 1818 C CA . GLU B 2 17 ? -33.530 16.867 -7.395 1.00 36.27 ? 25 GLU L CA 1 ATOM 1819 C C . GLU B 2 17 ? -34.924 16.977 -6.789 1.00 33.88 ? 25 GLU L C 1 ATOM 1820 O O . GLU B 2 17 ? -35.742 16.068 -6.917 1.00 32.52 ? 25 GLU L O 1 ATOM 1821 C CB . GLU B 2 17 ? -33.343 17.963 -8.447 1.00 38.24 ? 25 GLU L CB 1 ATOM 1822 C CG . GLU B 2 17 ? -31.961 18.000 -9.077 0.00 38.34 ? 25 GLU L CG 1 ATOM 1823 C CD . GLU B 2 17 ? -31.861 19.023 -10.192 0.00 38.25 ? 25 GLU L CD 1 ATOM 1824 O OE1 . GLU B 2 17 ? -32.918 19.504 -10.653 0.00 37.14 ? 25 GLU L OE1 1 ATOM 1825 O OE2 . GLU B 2 17 ? -30.728 19.347 -10.606 0.00 39.63 ? 25 GLU L OE2 1 ATOM 1826 N N . LYS B 2 18 ? -35.189 18.100 -6.130 1.00 33.21 ? 26 LYS L N 1 ATOM 1827 C CA . LYS B 2 18 ? -36.513 18.372 -5.591 1.00 32.02 ? 26 LYS L CA 1 ATOM 1828 C C . LYS B 2 18 ? -37.507 18.551 -6.732 1.00 32.58 ? 26 LYS L C 1 ATOM 1829 O O . LYS B 2 18 ? -37.162 19.081 -7.788 1.00 32.81 ? 26 LYS L O 1 ATOM 1830 C CB . LYS B 2 18 ? -36.487 19.619 -4.704 1.00 32.93 ? 26 LYS L CB 1 ATOM 1831 C CG . LYS B 2 18 ? -35.571 19.493 -3.496 1.00 39.48 ? 26 LYS L CG 1 ATOM 1832 C CD . LYS B 2 18 ? -35.588 20.752 -2.646 1.00 47.01 ? 26 LYS L CD 1 ATOM 1833 C CE . LYS B 2 18 ? -34.723 20.587 -1.405 1.00 55.36 ? 26 LYS L CE 1 ATOM 1834 N NZ . LYS B 2 18 ? -34.698 21.824 -0.577 1.00 60.62 ? 26 LYS L NZ 1 ATOM 1835 N N . SER B 2 19 ? -38.739 18.102 -6.519 1.00 30.60 ? 27 SER L N 1 ATOM 1836 C CA . SER B 2 19 ? -39.757 18.160 -7.561 1.00 26.24 ? 27 SER L CA 1 ATOM 1837 C C . SER B 2 19 ? -40.462 19.498 -7.770 1.00 30.39 ? 27 SER L C 1 ATOM 1838 O O . SER B 2 19 ? -40.782 20.199 -6.810 1.00 29.77 ? 27 SER L O 1 ATOM 1839 C CB . SER B 2 19 ? -40.947 17.265 -7.205 1.00 28.65 ? 27 SER L CB 1 ATOM 1840 O OG . SER B 2 19 ? -41.620 17.733 -6.048 1.00 23.46 ? 27 SER L OG 1 ATOM 1841 N N . LEU B 2 20 ? -40.692 19.844 -9.032 1.00 22.40 ? 28 LEU L N 1 ATOM 1842 C CA . LEU B 2 20 ? -41.231 21.149 -9.398 1.00 29.13 ? 28 LEU L CA 1 ATOM 1843 C C . LEU B 2 20 ? -42.701 21.048 -9.797 1.00 31.55 ? 28 LEU L C 1 ATOM 1844 O O . LEU B 2 20 ? -43.538 21.816 -9.323 1.00 37.58 ? 28 LEU L O 1 ATOM 1845 C CB . LEU B 2 20 ? -40.429 21.761 -10.550 1.00 23.15 ? 28 LEU L CB 1 ATOM 1846 C CG . LEU B 2 20 ? -40.885 23.138 -11.044 1.00 35.25 ? 28 LEU L CG 1 ATOM 1847 C CD1 . LEU B 2 20 ? -40.884 24.148 -9.904 1.00 32.38 ? 28 LEU L CD1 1 ATOM 1848 C CD2 . LEU B 2 20 ? -40.014 23.626 -12.194 1.00 24.26 ? 28 LEU L CD2 1 ATOM 1849 N N . GLY B 2 21 ? -43.005 20.093 -10.671 1.00 26.00 ? 29 GLY L N 1 ATOM 1850 C CA . GLY B 2 21 ? -44.373 19.836 -11.085 1.00 23.84 ? 29 GLY L CA 1 ATOM 1851 C C . GLY B 2 21 ? -44.802 18.426 -10.727 1.00 27.57 ? 29 GLY L C 1 ATOM 1852 O O . GLY B 2 21 ? -44.216 17.803 -9.842 1.00 30.48 ? 29 GLY L O 1 ATOM 1853 N N . SER B 2 22 ? -45.827 17.924 -11.410 1.00 36.20 ? 30 SER L N 1 ATOM 1854 C CA . SER B 2 22 ? -46.295 16.556 -11.203 1.00 21.88 ? 30 SER L CA 1 ATOM 1855 C C . SER B 2 22 ? -45.293 15.558 -11.778 1.00 22.84 ? 30 SER L C 1 ATOM 1856 O O . SER B 2 22 ? -44.715 15.794 -12.838 1.00 30.92 ? 30 SER L O 1 ATOM 1857 C CB . SER B 2 22 ? -47.669 16.353 -11.842 1.00 26.49 ? 30 SER L CB 1 ATOM 1858 O OG . SER B 2 22 ? -48.631 17.219 -11.266 1.00 31.23 ? 30 SER L OG 1 ATOM 1859 N N . ARG B 2 23 ? -45.099 14.442 -11.081 1.00 30.48 ? 31 ARG L N 1 ATOM 1860 C CA . ARG B 2 23 ? -44.046 13.493 -11.435 1.00 25.18 ? 31 ARG L CA 1 ATOM 1861 C C . ARG B 2 23 ? -44.507 12.068 -11.725 1.00 21.69 ? 31 ARG L C 1 ATOM 1862 O O . ARG B 2 23 ? -45.547 11.614 -11.245 1.00 19.93 ? 31 ARG L O 1 ATOM 1863 C CB . ARG B 2 23 ? -42.989 13.443 -10.332 1.00 29.00 ? 31 ARG L CB 1 ATOM 1864 C CG . ARG B 2 23 ? -42.080 14.650 -10.276 1.00 31.88 ? 31 ARG L CG 1 ATOM 1865 C CD . ARG B 2 23 ? -40.966 14.422 -9.274 1.00 32.18 ? 31 ARG L CD 1 ATOM 1866 N NE . ARG B 2 23 ? -39.791 15.231 -9.575 1.00 41.98 ? 31 ARG L NE 1 ATOM 1867 C CZ . ARG B 2 23 ? -38.620 15.096 -8.964 1.00 39.96 ? 31 ARG L CZ 1 ATOM 1868 N NH1 . ARG B 2 23 ? -38.469 14.179 -8.017 1.00 36.81 ? 31 ARG L NH1 1 ATOM 1869 N NH2 . ARG B 2 23 ? -37.601 15.875 -9.300 1.00 32.56 ? 31 ARG L NH2 1 ATOM 1870 N N . ALA B 2 24 ? -43.702 11.374 -12.521 1.00 26.76 ? 32 ALA L N 1 ATOM 1871 C CA . ALA B 2 24 ? -43.819 9.936 -12.707 1.00 27.45 ? 32 ALA L CA 1 ATOM 1872 C C . ALA B 2 24 ? -42.410 9.359 -12.620 1.00 22.96 ? 32 ALA L C 1 ATOM 1873 O O . ALA B 2 24 ? -41.678 9.330 -13.608 1.00 23.89 ? 32 ALA L O 1 ATOM 1874 C CB . ALA B 2 24 ? -44.453 9.618 -14.051 1.00 22.02 ? 32 ALA L CB 1 ATOM 1875 N N . VAL B 2 25 ? -42.024 8.924 -11.427 1.00 20.29 ? 33 VAL L N 1 ATOM 1876 C CA . VAL B 2 25 ? -40.662 8.459 -11.196 1.00 14.91 ? 33 VAL L CA 1 ATOM 1877 C C . VAL B 2 25 ? -40.527 6.953 -11.378 1.00 26.56 ? 33 VAL L C 1 ATOM 1878 O O . VAL B 2 25 ? -41.312 6.178 -10.832 1.00 24.41 ? 33 VAL L O 1 ATOM 1879 C CB . VAL B 2 25 ? -40.169 8.837 -9.785 1.00 15.14 ? 33 VAL L CB 1 ATOM 1880 C CG1 . VAL B 2 25 ? -38.777 8.282 -9.542 1.00 21.85 ? 33 VAL L CG1 1 ATOM 1881 C CG2 . VAL B 2 25 ? -40.182 10.345 -9.607 1.00 43.94 ? 33 VAL L CG2 1 ATOM 1882 N N . GLN B 2 26 ? -39.527 6.548 -12.154 1.00 19.70 ? 34 GLN L N 1 ATOM 1883 C CA . GLN B 2 26 ? -39.205 5.137 -12.305 1.00 22.82 ? 34 GLN L CA 1 ATOM 1884 C C . GLN B 2 26 ? -37.949 4.796 -11.513 1.00 20.93 ? 34 GLN L C 1 ATOM 1885 O O . GLN B 2 26 ? -37.042 5.616 -11.390 1.00 19.66 ? 34 GLN L O 1 ATOM 1886 C CB . GLN B 2 26 ? -39.020 4.774 -13.782 1.00 22.27 ? 34 GLN L CB 1 ATOM 1887 C CG . GLN B 2 26 ? -40.323 4.653 -14.560 1.00 14.74 ? 34 GLN L CG 1 ATOM 1888 C CD . GLN B 2 26 ? -41.108 5.949 -14.598 1.00 19.94 ? 34 GLN L CD 1 ATOM 1889 O OE1 . GLN B 2 26 ? -42.226 6.026 -14.089 1.00 22.62 ? 34 GLN L OE1 1 ATOM 1890 N NE2 . GLN B 2 26 ? -40.528 6.975 -15.209 1.00 19.95 ? 34 GLN L NE2 1 ATOM 1891 N N . TRP B 2 27 ? -37.912 3.589 -10.963 1.00 22.60 ? 35 TRP L N 1 ATOM 1892 C CA . TRP B 2 27 ? -36.743 3.113 -10.237 1.00 17.25 ? 35 TRP L CA 1 ATOM 1893 C C . TRP B 2 27 ? -36.190 1.867 -10.910 1.00 25.33 ? 35 TRP L C 1 ATOM 1894 O O . TRP B 2 27 ? -36.944 0.975 -11.298 1.00 26.82 ? 35 TRP L O 1 ATOM 1895 C CB . TRP B 2 27 ? -37.092 2.814 -8.778 1.00 18.35 ? 35 TRP L CB 1 ATOM 1896 C CG . TRP B 2 27 ? -37.314 4.040 -7.950 1.00 19.35 ? 35 TRP L CG 1 ATOM 1897 C CD1 . TRP B 2 27 ? -38.495 4.690 -7.749 1.00 22.14 ? 35 TRP L CD1 1 ATOM 1898 C CD2 . TRP B 2 27 ? -36.325 4.766 -7.208 1.00 20.03 ? 35 TRP L CD2 1 ATOM 1899 N NE1 . TRP B 2 27 ? -38.305 5.776 -6.929 1.00 24.88 ? 35 TRP L NE1 1 ATOM 1900 C CE2 . TRP B 2 27 ? -36.981 5.846 -6.583 1.00 25.51 ? 35 TRP L CE2 1 ATOM 1901 C CE3 . TRP B 2 27 ? -34.948 4.610 -7.014 1.00 25.49 ? 35 TRP L CE3 1 ATOM 1902 C CZ2 . TRP B 2 27 ? -36.309 6.764 -5.777 1.00 32.96 ? 35 TRP L CZ2 1 ATOM 1903 C CZ3 . TRP B 2 27 ? -34.282 5.523 -6.211 1.00 39.92 ? 35 TRP L CZ3 1 ATOM 1904 C CH2 . TRP B 2 27 ? -34.964 6.585 -5.602 1.00 41.40 ? 35 TRP L CH2 1 ATOM 1905 N N . TYR B 2 28 ? -34.870 1.817 -11.053 1.00 13.31 ? 36 TYR L N 1 ATOM 1906 C CA . TYR B 2 28 ? -34.218 0.698 -11.713 1.00 17.37 ? 36 TYR L CA 1 ATOM 1907 C C . TYR B 2 28 ? -33.164 0.058 -10.817 1.00 22.97 ? 36 TYR L C 1 ATOM 1908 O O . TYR B 2 28 ? -32.458 0.741 -10.074 1.00 16.39 ? 36 TYR L O 1 ATOM 1909 C CB . TYR B 2 28 ? -33.593 1.145 -13.034 1.00 13.72 ? 36 TYR L CB 1 ATOM 1910 C CG . TYR B 2 28 ? -34.608 1.583 -14.067 1.00 17.63 ? 36 TYR L CG 1 ATOM 1911 C CD1 . TYR B 2 28 ? -35.160 0.669 -14.955 1.00 17.73 ? 36 TYR L CD1 1 ATOM 1912 C CD2 . TYR B 2 28 ? -35.019 2.908 -14.150 1.00 17.97 ? 36 TYR L CD2 1 ATOM 1913 C CE1 . TYR B 2 28 ? -36.088 1.060 -15.899 1.00 18.67 ? 36 TYR L CE1 1 ATOM 1914 C CE2 . TYR B 2 28 ? -35.949 3.311 -15.095 1.00 23.03 ? 36 TYR L CE2 1 ATOM 1915 C CZ . TYR B 2 28 ? -36.479 2.381 -15.967 1.00 22.28 ? 36 TYR L CZ 1 ATOM 1916 O OH . TYR B 2 28 ? -37.405 2.768 -16.908 1.00 29.21 ? 36 TYR L OH 1 ATOM 1917 N N . GLN B 2 29 ? -33.075 -1.264 -10.893 1.00 16.47 ? 37 GLN L N 1 ATOM 1918 C CA . GLN B 2 29 ? -32.107 -2.018 -10.113 1.00 19.00 ? 37 GLN L CA 1 ATOM 1919 C C . GLN B 2 29 ? -31.025 -2.578 -11.027 1.00 22.28 ? 37 GLN L C 1 ATOM 1920 O O . GLN B 2 29 ? -31.325 -3.190 -12.053 1.00 19.58 ? 37 GLN L O 1 ATOM 1921 C CB . GLN B 2 29 ? -32.805 -3.158 -9.375 1.00 19.41 ? 37 GLN L CB 1 ATOM 1922 C CG . GLN B 2 29 ? -31.886 -4.023 -8.536 1.00 21.43 ? 37 GLN L CG 1 ATOM 1923 C CD . GLN B 2 29 ? -32.582 -5.268 -8.032 1.00 23.04 ? 37 GLN L CD 1 ATOM 1924 O OE1 . GLN B 2 29 ? -33.053 -6.087 -8.819 1.00 32.57 ? 37 GLN L OE1 1 ATOM 1925 N NE2 . GLN B 2 29 ? -32.664 -5.412 -6.715 1.00 27.02 ? 37 GLN L NE2 1 ATOM 1926 N N . HIS B 2 30 ? -29.768 -2.368 -10.654 1.00 15.98 ? 38 HIS L N 1 ATOM 1927 C CA . HIS B 2 30 ? -28.654 -2.872 -11.447 1.00 24.49 ? 38 HIS L CA 1 ATOM 1928 C C . HIS B 2 30 ? -27.637 -3.642 -10.612 1.00 25.49 ? 38 HIS L C 1 ATOM 1929 O O . HIS B 2 30 ? -26.833 -3.048 -9.895 1.00 25.72 ? 38 HIS L O 1 ATOM 1930 C CB . HIS B 2 30 ? -27.954 -1.730 -12.182 1.00 30.28 ? 38 HIS L CB 1 ATOM 1931 C CG . HIS B 2 30 ? -26.796 -2.174 -13.018 1.00 31.47 ? 38 HIS L CG 1 ATOM 1932 N ND1 . HIS B 2 30 ? -26.905 -3.158 -13.978 1.00 32.72 ? 38 HIS L ND1 1 ATOM 1933 C CD2 . HIS B 2 30 ? -25.503 -1.770 -13.039 1.00 38.05 ? 38 HIS L CD2 1 ATOM 1934 C CE1 . HIS B 2 30 ? -25.731 -3.338 -14.555 1.00 36.32 ? 38 HIS L CE1 1 ATOM 1935 N NE2 . HIS B 2 30 ? -24.863 -2.509 -14.003 1.00 36.52 ? 38 HIS L NE2 1 ATOM 1936 N N . ARG B 2 31 ? -27.677 -4.967 -10.717 1.00 33.07 ? 39 ARG L N 1 ATOM 1937 C CA . ARG B 2 31 ? -26.689 -5.822 -10.069 1.00 34.90 ? 39 ARG L CA 1 ATOM 1938 C C . ARG B 2 31 ? -25.443 -5.942 -10.940 1.00 33.87 ? 39 ARG L C 1 ATOM 1939 O O . ARG B 2 31 ? -25.518 -5.830 -12.164 1.00 38.49 ? 39 ARG L O 1 ATOM 1940 C CB . ARG B 2 31 ? -27.272 -7.210 -9.802 1.00 33.27 ? 39 ARG L CB 1 ATOM 1941 C CG . ARG B 2 31 ? -28.399 -7.223 -8.788 1.00 35.66 ? 39 ARG L CG 1 ATOM 1942 C CD . ARG B 2 31 ? -29.273 -8.449 -8.961 1.00 35.29 ? 39 ARG L CD 1 ATOM 1943 N NE . ARG B 2 31 ? -30.368 -8.478 -7.998 1.00 41.32 ? 39 ARG L NE 1 ATOM 1944 C CZ . ARG B 2 31 ? -31.503 -9.144 -8.181 1.00 37.92 ? 39 ARG L CZ 1 ATOM 1945 N NH1 . ARG B 2 31 ? -31.696 -9.829 -9.299 1.00 42.78 ? 39 ARG L NH1 1 ATOM 1946 N NH2 . ARG B 2 31 ? -32.447 -9.118 -7.250 1.00 33.41 ? 39 ARG L NH2 1 ATOM 1947 N N . ALA B 2 32 ? -24.301 -6.174 -10.304 1.00 38.85 ? 40 ALA L N 1 ATOM 1948 C CA . ALA B 2 32 ? -23.031 -6.273 -11.015 1.00 43.45 ? 40 ALA L CA 1 ATOM 1949 C C . ALA B 2 32 ? -23.081 -7.269 -12.172 1.00 44.52 ? 40 ALA L C 1 ATOM 1950 O O . ALA B 2 32 ? -23.421 -8.439 -11.986 1.00 43.15 ? 40 ALA L O 1 ATOM 1951 C CB . ALA B 2 32 ? -21.915 -6.638 -10.049 1.00 47.33 ? 40 ALA L CB 1 ATOM 1952 N N . GLY B 2 33 ? -22.742 -6.791 -13.366 1.00 36.84 ? 41 GLY L N 1 ATOM 1953 C CA . GLY B 2 33 ? -22.664 -7.637 -14.544 1.00 35.85 ? 41 GLY L CA 1 ATOM 1954 C C . GLY B 2 33 ? -23.974 -8.301 -14.921 1.00 41.13 ? 41 GLY L C 1 ATOM 1955 O O . GLY B 2 33 ? -23.985 -9.366 -15.538 1.00 45.56 ? 41 GLY L O 1 ATOM 1956 N N . GLN B 2 34 ? -25.083 -7.672 -14.548 1.00 42.93 ? 42 GLN L N 1 ATOM 1957 C CA . GLN B 2 34 ? -26.404 -8.196 -14.872 1.00 38.17 ? 42 GLN L CA 1 ATOM 1958 C C . GLN B 2 34 ? -27.260 -7.127 -15.542 1.00 31.70 ? 42 GLN L C 1 ATOM 1959 O O . GLN B 2 34 ? -27.024 -5.932 -15.368 1.00 32.66 ? 42 GLN L O 1 ATOM 1960 C CB . GLN B 2 34 ? -27.102 -8.710 -13.610 1.00 39.26 ? 42 GLN L CB 1 ATOM 1961 C CG . GLN B 2 34 ? -28.507 -9.242 -13.852 1.00 41.00 ? 42 GLN L CG 1 ATOM 1962 C CD . GLN B 2 34 ? -29.257 -9.534 -12.563 1.00 51.10 ? 42 GLN L CD 1 ATOM 1963 O OE1 . GLN B 2 34 ? -28.655 -9.680 -11.499 1.00 58.36 ? 42 GLN L OE1 1 ATOM 1964 N NE2 . GLN B 2 34 ? -30.579 -9.617 -12.654 1.00 53.42 ? 42 GLN L NE2 1 ATOM 1965 N N . ALA B 2 35 ? -28.250 -7.560 -16.313 1.00 32.41 ? 43 ALA L N 1 ATOM 1966 C CA . ALA B 2 35 ? -29.195 -6.633 -16.923 1.00 33.51 ? 43 ALA L CA 1 ATOM 1967 C C . ALA B 2 35 ? -29.951 -5.870 -15.838 1.00 25.43 ? 43 ALA L C 1 ATOM 1968 O O . ALA B 2 35 ? -30.325 -6.445 -14.815 1.00 25.73 ? 43 ALA L O 1 ATOM 1969 C CB . ALA B 2 35 ? -30.166 -7.378 -17.828 1.00 24.57 ? 43 ALA L CB 1 ATOM 1970 N N . PRO B 2 36 ? -30.159 -4.564 -16.049 1.00 22.74 ? 44 PRO L N 1 ATOM 1971 C CA . PRO B 2 36 ? -30.945 -3.765 -15.105 1.00 19.65 ? 44 PRO L CA 1 ATOM 1972 C C . PRO B 2 36 ? -32.391 -4.241 -15.066 1.00 24.44 ? 44 PRO L C 1 ATOM 1973 O O . PRO B 2 36 ? -32.834 -4.933 -15.982 1.00 24.51 ? 44 PRO L O 1 ATOM 1974 C CB . PRO B 2 36 ? -30.873 -2.354 -15.698 1.00 17.39 ? 44 PRO L CB 1 ATOM 1975 C CG . PRO B 2 36 ? -29.630 -2.354 -16.529 1.00 18.40 ? 44 PRO L CG 1 ATOM 1976 C CD . PRO B 2 36 ? -29.556 -3.736 -17.106 1.00 20.04 ? 44 PRO L CD 1 ATOM 1977 N N . SER B 2 37 ? -33.113 -3.878 -14.012 1.00 32.82 ? 45 SER L N 1 ATOM 1978 C CA . SER B 2 37 ? -34.518 -4.244 -13.888 1.00 32.31 ? 45 SER L CA 1 ATOM 1979 C C . SER B 2 37 ? -35.361 -3.049 -13.463 1.00 32.41 ? 45 SER L C 1 ATOM 1980 O O . SER B 2 37 ? -34.867 -2.134 -12.806 1.00 39.29 ? 45 SER L O 1 ATOM 1981 C CB . SER B 2 37 ? -34.686 -5.385 -12.884 1.00 18.86 ? 45 SER L CB 1 ATOM 1982 O OG . SER B 2 37 ? -34.023 -6.551 -13.335 1.00 62.25 ? 45 SER L OG 1 ATOM 1983 N N . LEU B 2 38 ? -36.633 -3.062 -13.847 1.00 25.86 ? 46 LEU L N 1 ATOM 1984 C CA . LEU B 2 38 ? -37.573 -2.037 -13.414 1.00 23.16 ? 46 LEU L CA 1 ATOM 1985 C C . LEU B 2 38 ? -38.209 -2.469 -12.103 1.00 25.98 ? 46 LEU L C 1 ATOM 1986 O O . LEU B 2 38 ? -38.827 -3.529 -12.028 1.00 35.43 ? 46 LEU L O 1 ATOM 1987 C CB . LEU B 2 38 ? -38.660 -1.819 -14.468 1.00 22.17 ? 46 LEU L CB 1 ATOM 1988 C CG . LEU B 2 38 ? -39.771 -0.839 -14.079 1.00 21.42 ? 46 LEU L CG 1 ATOM 1989 C CD1 . LEU B 2 38 ? -39.242 0.592 -14.002 1.00 15.74 ? 46 LEU L CD1 1 ATOM 1990 C CD2 . LEU B 2 38 ? -40.951 -0.943 -15.040 1.00 18.35 ? 46 LEU L CD2 1 ATOM 1991 N N . ILE B 2 39 ? -38.056 -1.650 -11.069 1.00 16.27 ? 47 ILE L N 1 ATOM 1992 C CA . ILE B 2 39 ? -38.602 -1.977 -9.758 1.00 29.87 ? 47 ILE L CA 1 ATOM 1993 C C . ILE B 2 39 ? -39.846 -1.152 -9.443 1.00 29.21 ? 47 ILE L C 1 ATOM 1994 O O . ILE B 2 39 ? -40.787 -1.641 -8.816 1.00 25.13 ? 47 ILE L O 1 ATOM 1995 C CB . ILE B 2 39 ? -37.560 -1.768 -8.644 1.00 24.74 ? 47 ILE L CB 1 ATOM 1996 C CG1 . ILE B 2 39 ? -36.330 -2.637 -8.899 1.00 18.81 ? 47 ILE L CG1 1 ATOM 1997 C CG2 . ILE B 2 39 ? -38.164 -2.090 -7.286 1.00 34.12 ? 47 ILE L CG2 1 ATOM 1998 C CD1 . ILE B 2 39 ? -36.649 -4.108 -9.030 1.00 29.92 ? 47 ILE L CD1 1 ATOM 1999 N N . ILE B 2 40 ? -39.838 0.102 -9.881 1.00 27.93 ? 48 ILE L N 1 ATOM 2000 C CA . ILE B 2 40 ? -40.945 1.017 -9.635 1.00 19.61 ? 48 ILE L CA 1 ATOM 2001 C C . ILE B 2 40 ? -41.204 1.887 -10.858 1.00 16.16 ? 48 ILE L C 1 ATOM 2002 O O . ILE B 2 40 ? -40.270 2.349 -11.511 1.00 22.35 ? 48 ILE L O 1 ATOM 2003 C CB . ILE B 2 40 ? -40.651 1.953 -8.447 1.00 27.98 ? 48 ILE L CB 1 ATOM 2004 C CG1 . ILE B 2 40 ? -40.457 1.156 -7.156 1.00 22.99 ? 48 ILE L CG1 1 ATOM 2005 C CG2 . ILE B 2 40 ? -41.775 2.966 -8.281 1.00 16.93 ? 48 ILE L CG2 1 ATOM 2006 C CD1 . ILE B 2 40 ? -41.691 1.086 -6.289 1.00 18.63 ? 48 ILE L CD1 1 ATOM 2007 N N . TYR B 2 41 ? -42.475 2.110 -11.164 1.00 25.71 ? 49 TYR L N 1 ATOM 2008 C CA . TYR B 2 41 ? -42.847 3.042 -12.220 1.00 24.86 ? 49 TYR L CA 1 ATOM 2009 C C . TYR B 2 41 ? -44.027 3.894 -11.764 1.00 20.66 ? 49 TYR L C 1 ATOM 2010 O O . TYR B 2 41 ? -44.804 3.479 -10.904 1.00 20.81 ? 49 TYR L O 1 ATOM 2011 C CB . TYR B 2 41 ? -43.174 2.301 -13.519 1.00 20.73 ? 49 TYR L CB 1 ATOM 2012 C CG . TYR B 2 41 ? -44.507 1.587 -13.514 1.00 19.49 ? 49 TYR L CG 1 ATOM 2013 C CD1 . TYR B 2 41 ? -44.622 0.290 -13.030 1.00 32.89 ? 49 TYR L CD1 1 ATOM 2014 C CD2 . TYR B 2 41 ? -45.649 2.209 -14.003 1.00 23.93 ? 49 TYR L CD2 1 ATOM 2015 C CE1 . TYR B 2 41 ? -45.841 -0.367 -13.026 1.00 31.50 ? 49 TYR L CE1 1 ATOM 2016 C CE2 . TYR B 2 41 ? -46.872 1.561 -14.003 1.00 31.18 ? 49 TYR L CE2 1 ATOM 2017 C CZ . TYR B 2 41 ? -46.962 0.273 -13.515 1.00 33.82 ? 49 TYR L CZ 1 ATOM 2018 O OH . TYR B 2 41 ? -48.175 -0.377 -13.514 1.00 38.05 ? 49 TYR L OH 1 ATOM 2019 N N . ASN B 2 42 ? -44.148 5.089 -12.331 1.00 20.34 ? 50 ASN L N 1 ATOM 2020 C CA . ASN B 2 42 ? -45.223 6.001 -11.961 1.00 21.76 ? 50 ASN L CA 1 ATOM 2021 C C . ASN B 2 42 ? -45.204 6.209 -10.448 1.00 21.78 ? 50 ASN L C 1 ATOM 2022 O O . ASN B 2 42 ? -46.233 6.096 -9.785 1.00 29.17 ? 50 ASN L O 1 ATOM 2023 C CB . ASN B 2 42 ? -46.581 5.429 -12.376 1.00 20.28 ? 50 ASN L CB 1 ATOM 2024 C CG . ASN B 2 42 ? -47.725 6.396 -12.127 1.00 26.75 ? 50 ASN L CG 1 ATOM 2025 O OD1 . ASN B 2 42 ? -47.538 7.613 -12.128 1.00 26.82 ? 50 ASN L OD1 1 ATOM 2026 N ND2 . ASN B 2 42 ? -48.917 5.856 -11.910 1.00 25.27 ? 50 ASN L ND2 1 ATOM 2027 N N . ASN B 2 43 ? -44.024 6.500 -9.909 1.00 18.70 ? 51 ASN L N 1 ATOM 2028 C CA . ASN B 2 43 ? -43.880 6.903 -8.513 1.00 18.23 ? 51 ASN L CA 1 ATOM 2029 C C . ASN B 2 43 ? -43.988 5.745 -7.521 1.00 24.14 ? 51 ASN L C 1 ATOM 2030 O O . ASN B 2 43 ? -43.063 5.501 -6.745 1.00 18.47 ? 51 ASN L O 1 ATOM 2031 C CB . ASN B 2 43 ? -44.897 7.995 -8.167 1.00 22.07 ? 51 ASN L CB 1 ATOM 2032 C CG . ASN B 2 43 ? -44.740 9.229 -9.030 1.00 24.88 ? 51 ASN L CG 1 ATOM 2033 O OD1 . ASN B 2 43 ? -43.631 9.726 -9.225 1.00 27.44 ? 51 ASN L OD1 1 ATOM 2034 N ND2 . ASN B 2 43 ? -45.852 9.727 -9.559 1.00 20.28 ? 51 ASN L ND2 1 ATOM 2035 N N . GLN B 2 44 ? -45.121 5.045 -7.544 1.00 23.68 ? 52 GLN L N 1 ATOM 2036 C CA . GLN B 2 44 ? -45.422 4.032 -6.534 1.00 28.21 ? 52 GLN L CA 1 ATOM 2037 C C . GLN B 2 44 ? -45.803 2.678 -7.129 1.00 28.49 ? 52 GLN L C 1 ATOM 2038 O O . GLN B 2 44 ? -45.797 1.667 -6.427 1.00 24.79 ? 52 GLN L O 1 ATOM 2039 C CB . GLN B 2 44 ? -46.502 4.541 -5.575 1.00 28.21 ? 52 GLN L CB 1 ATOM 2040 C CG . GLN B 2 44 ? -46.089 5.731 -4.728 1.00 38.45 ? 52 GLN L CG 1 ATOM 2041 C CD . GLN B 2 44 ? -47.219 6.234 -3.851 1.00 38.13 ? 52 GLN L CD 1 ATOM 2042 O OE1 . GLN B 2 44 ? -48.234 6.723 -4.348 1.00 42.81 ? 52 GLN L OE1 1 ATOM 2043 N NE2 . GLN B 2 44 ? -47.053 6.110 -2.540 1.00 37.69 ? 52 GLN L NE2 1 ATOM 2044 N N . ASP B 2 45 ? -46.144 2.656 -8.414 1.00 30.85 ? 53 ASP L N 1 ATOM 2045 C CA . ASP B 2 45 ? -46.632 1.432 -9.046 1.00 33.67 ? 53 ASP L CA 1 ATOM 2046 C C . ASP B 2 45 ? -45.533 0.388 -9.214 1.00 31.24 ? 53 ASP L C 1 ATOM 2047 O O . ASP B 2 45 ? -44.368 0.719 -9.438 1.00 23.78 ? 53 ASP L O 1 ATOM 2048 C CB . ASP B 2 45 ? -47.302 1.730 -10.389 1.00 37.51 ? 53 ASP L CB 1 ATOM 2049 C CG . ASP B 2 45 ? -48.612 2.483 -10.233 1.00 38.75 ? 53 ASP L CG 1 ATOM 2050 O OD1 . ASP B 2 45 ? -49.208 2.419 -9.137 1.00 31.66 ? 53 ASP L OD1 1 ATOM 2051 O OD2 . ASP B 2 45 ? -49.047 3.133 -11.206 1.00 47.41 ? 53 ASP L OD2 1 ATOM 2052 N N . ARG B 2 46 ? -45.921 -0.878 -9.114 1.00 32.78 ? 54 ARG L N 1 ATOM 2053 C CA . ARG B 2 46 ? -44.967 -1.975 -9.108 1.00 35.44 ? 54 ARG L CA 1 ATOM 2054 C C . ARG B 2 46 ? -45.245 -2.955 -10.243 1.00 35.43 ? 54 ARG L C 1 ATOM 2055 O O . ARG B 2 46 ? -46.346 -3.494 -10.345 1.00 31.76 ? 54 ARG L O 1 ATOM 2056 C CB . ARG B 2 46 ? -45.034 -2.699 -7.762 1.00 38.93 ? 54 ARG L CB 1 ATOM 2057 C CG . ARG B 2 46 ? -43.692 -3.121 -7.214 1.00 51.23 ? 54 ARG L CG 1 ATOM 2058 C CD . ARG B 2 46 ? -43.815 -3.642 -5.791 1.00 58.27 ? 54 ARG L CD 1 ATOM 2059 N NE . ARG B 2 46 ? -44.198 -2.598 -4.845 1.00 56.24 ? 54 ARG L NE 1 ATOM 2060 C CZ . ARG B 2 46 ? -45.379 -2.533 -4.238 1.00 54.56 ? 54 ARG L CZ 1 ATOM 2061 N NH1 . ARG B 2 46 ? -46.300 -3.458 -4.474 1.00 50.01 ? 54 ARG L NH1 1 ATOM 2062 N NH2 . ARG B 2 46 ? -45.639 -1.547 -3.390 1.00 57.26 ? 54 ARG L NH2 1 ATOM 2063 N N . PRO B 2 47 ? -44.246 -3.183 -11.108 1.00 34.44 ? 55 PRO L N 1 ATOM 2064 C CA . PRO B 2 47 ? -44.393 -4.170 -12.182 1.00 41.87 ? 55 PRO L CA 1 ATOM 2065 C C . PRO B 2 47 ? -44.525 -5.575 -11.606 1.00 46.93 ? 55 PRO L C 1 ATOM 2066 O O . PRO B 2 47 ? -44.206 -5.790 -10.437 1.00 47.72 ? 55 PRO L O 1 ATOM 2067 C CB . PRO B 2 47 ? -43.083 -4.033 -12.964 1.00 38.38 ? 55 PRO L CB 1 ATOM 2068 C CG . PRO B 2 47 ? -42.113 -3.475 -11.982 1.00 34.90 ? 55 PRO L CG 1 ATOM 2069 C CD . PRO B 2 47 ? -42.914 -2.556 -11.112 1.00 31.68 ? 55 PRO L CD 1 ATOM 2070 N N . SER B 2 48 ? -44.998 -6.515 -12.417 1.00 47.87 ? 56 SER L N 1 ATOM 2071 C CA . SER B 2 48 ? -45.177 -7.889 -11.965 1.00 51.17 ? 56 SER L CA 1 ATOM 2072 C C . SER B 2 48 ? -43.871 -8.467 -11.431 1.00 44.31 ? 56 SER L C 1 ATOM 2073 O O . SER B 2 48 ? -42.801 -8.228 -11.991 1.00 41.61 ? 56 SER L O 1 ATOM 2074 C CB . SER B 2 48 ? -45.706 -8.762 -13.105 1.00 58.79 ? 56 SER L CB 1 ATOM 2075 O OG . SER B 2 48 ? -44.767 -8.839 -14.165 1.00 63.35 ? 56 SER L OG 1 ATOM 2076 N N . GLY B 2 49 ? -43.964 -9.225 -10.343 1.00 46.63 ? 57 GLY L N 1 ATOM 2077 C CA . GLY B 2 49 ? -42.806 -9.896 -9.781 1.00 46.66 ? 57 GLY L CA 1 ATOM 2078 C C . GLY B 2 49 ? -42.125 -9.136 -8.659 1.00 44.54 ? 57 GLY L C 1 ATOM 2079 O O . GLY B 2 49 ? -41.534 -9.740 -7.763 1.00 49.78 ? 57 GLY L O 1 ATOM 2080 N N . ILE B 2 50 ? -42.199 -7.809 -8.705 1.00 33.35 ? 58 ILE L N 1 ATOM 2081 C CA . ILE B 2 50 ? -41.575 -6.981 -7.677 1.00 34.75 ? 58 ILE L CA 1 ATOM 2082 C C . ILE B 2 50 ? -42.406 -6.957 -6.398 1.00 32.28 ? 58 ILE L C 1 ATOM 2083 O O . ILE B 2 50 ? -43.545 -6.491 -6.400 1.00 44.09 ? 58 ILE L O 1 ATOM 2084 C CB . ILE B 2 50 ? -41.327 -5.541 -8.169 1.00 30.46 ? 58 ILE L CB 1 ATOM 2085 C CG1 . ILE B 2 50 ? -40.126 -5.502 -9.114 1.00 28.67 ? 58 ILE L CG1 1 ATOM 2086 C CG2 . ILE B 2 50 ? -41.070 -4.617 -6.990 1.00 25.33 ? 58 ILE L CG2 1 ATOM 2087 C CD1 . ILE B 2 50 ? -40.228 -6.455 -10.276 1.00 40.89 ? 58 ILE L CD1 1 ATOM 2088 N N . PRO B 2 51 ? -41.826 -7.458 -5.298 1.00 30.02 ? 59 PRO L N 1 ATOM 2089 C CA . PRO B 2 51 ? -42.494 -7.587 -3.997 1.00 34.74 ? 59 PRO L CA 1 ATOM 2090 C C . PRO B 2 51 ? -42.872 -6.244 -3.375 1.00 39.41 ? 59 PRO L C 1 ATOM 2091 O O . PRO B 2 51 ? -42.258 -5.220 -3.675 1.00 42.80 ? 59 PRO L O 1 ATOM 2092 C CB . PRO B 2 51 ? -41.442 -8.293 -3.135 1.00 32.26 ? 59 PRO L CB 1 ATOM 2093 C CG . PRO B 2 51 ? -40.140 -7.958 -3.778 1.00 29.36 ? 59 PRO L CG 1 ATOM 2094 C CD . PRO B 2 51 ? -40.427 -7.916 -5.247 1.00 26.39 ? 59 PRO L CD 1 ATOM 2095 N N . GLU B 2 52 ? -43.877 -6.265 -2.504 1.00 38.98 ? 60 GLU L N 1 ATOM 2096 C CA . GLU B 2 52 ? -44.380 -5.054 -1.865 1.00 39.79 ? 60 GLU L CA 1 ATOM 2097 C C . GLU B 2 52 ? -43.394 -4.482 -0.848 1.00 44.76 ? 60 GLU L C 1 ATOM 2098 O O . GLU B 2 52 ? -43.660 -3.456 -0.223 1.00 41.38 ? 60 GLU L O 1 ATOM 2099 C CB . GLU B 2 52 ? -45.732 -5.328 -1.202 1.00 36.59 ? 60 GLU L CB 1 ATOM 2100 C CG . GLU B 2 52 ? -46.810 -5.781 -2.176 0.00 37.06 ? 60 GLU L CG 1 ATOM 2101 C CD . GLU B 2 52 ? -48.094 -6.188 -1.482 0.00 39.74 ? 60 GLU L CD 1 ATOM 2102 O OE1 . GLU B 2 52 ? -48.076 -6.350 -0.244 0.00 41.00 ? 60 GLU L OE1 1 ATOM 2103 O OE2 . GLU B 2 52 ? -49.122 -6.345 -2.174 0.00 40.90 ? 60 GLU L OE2 1 ATOM 2104 N N . ARG B 2 53 ? -42.256 -5.150 -0.684 1.00 49.05 ? 61 ARG L N 1 ATOM 2105 C CA . ARG B 2 53 ? -41.194 -4.646 0.179 1.00 25.98 ? 61 ARG L CA 1 ATOM 2106 C C . ARG B 2 53 ? -40.610 -3.364 -0.407 1.00 30.58 ? 61 ARG L C 1 ATOM 2107 O O . ARG B 2 53 ? -40.251 -2.439 0.323 1.00 33.73 ? 61 ARG L O 1 ATOM 2108 C CB . ARG B 2 53 ? -40.098 -5.697 0.349 1.00 30.71 ? 61 ARG L CB 1 ATOM 2109 C CG . ARG B 2 53 ? -40.533 -6.927 1.130 1.00 45.27 ? 61 ARG L CG 1 ATOM 2110 C CD . ARG B 2 53 ? -39.471 -8.016 1.084 1.00 44.44 ? 61 ARG L CD 1 ATOM 2111 N NE . ARG B 2 53 ? -38.130 -7.453 0.971 1.00 47.61 ? 61 ARG L NE 1 ATOM 2112 C CZ . ARG B 2 53 ? -37.353 -7.587 -0.099 1.00 41.85 ? 61 ARG L CZ 1 ATOM 2113 N NH1 . ARG B 2 53 ? -37.775 -8.283 -1.146 1.00 41.77 ? 61 ARG L NH1 1 ATOM 2114 N NH2 . ARG B 2 53 ? -36.148 -7.035 -0.117 1.00 39.20 ? 61 ARG L NH2 1 ATOM 2115 N N . PHE B 2 54 ? -40.514 -3.323 -1.732 1.00 44.24 ? 62 PHE L N 1 ATOM 2116 C CA . PHE B 2 54 ? -40.076 -2.127 -2.436 1.00 23.41 ? 62 PHE L CA 1 ATOM 2117 C C . PHE B 2 54 ? -41.244 -1.164 -2.575 1.00 36.31 ? 62 PHE L C 1 ATOM 2118 O O . PHE B 2 54 ? -42.322 -1.550 -3.027 1.00 37.74 ? 62 PHE L O 1 ATOM 2119 C CB . PHE B 2 54 ? -39.545 -2.484 -3.826 1.00 33.69 ? 62 PHE L CB 1 ATOM 2120 C CG . PHE B 2 54 ? -38.308 -3.334 -3.805 1.00 33.24 ? 62 PHE L CG 1 ATOM 2121 C CD1 . PHE B 2 54 ? -38.392 -4.699 -3.585 1.00 30.46 ? 62 PHE L CD1 1 ATOM 2122 C CD2 . PHE B 2 54 ? -37.061 -2.770 -4.016 1.00 36.78 ? 62 PHE L CD2 1 ATOM 2123 C CE1 . PHE B 2 54 ? -37.254 -5.485 -3.569 1.00 28.31 ? 62 PHE L CE1 1 ATOM 2124 C CE2 . PHE B 2 54 ? -35.920 -3.550 -4.001 1.00 35.65 ? 62 PHE L CE2 1 ATOM 2125 C CZ . PHE B 2 54 ? -36.017 -4.910 -3.777 1.00 27.59 ? 62 PHE L CZ 1 ATOM 2126 N N . SER B 2 55 ? -41.036 0.086 -2.179 1.00 28.93 ? 63 SER L N 1 ATOM 2127 C CA . SER B 2 55 ? -42.069 1.103 -2.332 1.00 34.19 ? 63 SER L CA 1 ATOM 2128 C C . SER B 2 55 ? -41.466 2.444 -2.734 1.00 34.24 ? 63 SER L C 1 ATOM 2129 O O . SER B 2 55 ? -40.343 2.773 -2.354 1.00 30.13 ? 63 SER L O 1 ATOM 2130 C CB . SER B 2 55 ? -42.897 1.246 -1.050 1.00 38.05 ? 63 SER L CB 1 ATOM 2131 O OG . SER B 2 55 ? -42.117 1.752 0.019 1.00 46.76 ? 63 SER L OG 1 ATOM 2132 N N . GLY B 2 56 ? -42.220 3.213 -3.512 1.00 37.92 ? 64 GLY L N 1 ATOM 2133 C CA . GLY B 2 56 ? -41.760 4.503 -3.982 1.00 30.10 ? 64 GLY L CA 1 ATOM 2134 C C . GLY B 2 56 ? -42.459 5.651 -3.286 1.00 35.44 ? 64 GLY L C 1 ATOM 2135 O O . GLY B 2 56 ? -43.468 5.460 -2.609 1.00 40.30 ? 64 GLY L O 1 ATOM 2136 N N . SER B 2 57 ? -41.919 6.851 -3.459 1.00 35.77 ? 65 SER L N 1 ATOM 2137 C CA . SER B 2 57 ? -42.488 8.043 -2.849 1.00 28.47 ? 65 SER L CA 1 ATOM 2138 C C . SER B 2 57 ? -43.549 8.659 -3.755 1.00 31.96 ? 65 SER L C 1 ATOM 2139 O O . SER B 2 57 ? -43.430 8.612 -4.980 1.00 38.26 ? 65 SER L O 1 ATOM 2140 C CB . SER B 2 57 ? -41.385 9.065 -2.573 1.00 28.64 ? 65 SER L CB 1 ATOM 2141 O OG . SER B 2 57 ? -40.754 9.462 -3.778 1.00 42.10 ? 65 SER L OG 1 ATOM 2142 N N . PRO B 2 58 ? -44.599 9.237 -3.151 1.00 38.70 ? 66 PRO L N 1 ATOM 2143 C CA . PRO B 2 58 ? -45.629 9.953 -3.910 1.00 24.55 ? 66 PRO L CA 1 ATOM 2144 C C . PRO B 2 58 ? -45.065 11.255 -4.467 1.00 27.83 ? 66 PRO L C 1 ATOM 2145 O O . PRO B 2 58 ? -44.100 11.777 -3.909 1.00 35.16 ? 66 PRO L O 1 ATOM 2146 C CB . PRO B 2 58 ? -46.695 10.247 -2.852 1.00 26.58 ? 66 PRO L CB 1 ATOM 2147 C CG . PRO B 2 58 ? -45.941 10.289 -1.566 1.00 37.12 ? 66 PRO L CG 1 ATOM 2148 C CD . PRO B 2 58 ? -44.865 9.253 -1.702 1.00 34.79 ? 66 PRO L CD 1 ATOM 2149 N N . ASP B 2 59 A -45.648 11.770 -5.546 1.00 34.10 ? 66 ASP L N 1 ATOM 2150 C CA . ASP B 2 59 A -45.175 13.023 -6.134 1.00 35.83 ? 66 ASP L CA 1 ATOM 2151 C C . ASP B 2 59 A -45.775 14.245 -5.438 1.00 37.58 ? 66 ASP L C 1 ATOM 2152 O O . ASP B 2 59 A -45.945 15.301 -6.049 1.00 39.05 ? 66 ASP L O 1 ATOM 2153 C CB . ASP B 2 59 A -45.459 13.070 -7.638 1.00 36.13 ? 66 ASP L CB 1 ATOM 2154 C CG . ASP B 2 59 A -46.935 13.179 -7.950 1.00 44.03 ? 66 ASP L CG 1 ATOM 2155 O OD1 . ASP B 2 59 A -47.750 12.635 -7.175 1.00 53.57 ? 66 ASP L OD1 1 ATOM 2156 O OD2 . ASP B 2 59 A -47.280 13.810 -8.973 1.00 38.51 ? 66 ASP L OD2 1 ATOM 2157 N N . SER B 2 60 B -46.094 14.091 -4.156 1.00 39.78 ? 66 SER L N 1 ATOM 2158 C CA . SER B 2 60 B -46.584 15.197 -3.342 1.00 33.15 ? 66 SER L CA 1 ATOM 2159 C C . SER B 2 60 B -45.933 15.164 -1.965 1.00 33.60 ? 66 SER L C 1 ATOM 2160 O O . SER B 2 60 B -45.614 14.092 -1.450 1.00 36.84 ? 66 SER L O 1 ATOM 2161 C CB . SER B 2 60 B -48.106 15.136 -3.201 1.00 33.28 ? 66 SER L CB 1 ATOM 2162 O OG . SER B 2 60 B -48.505 14.008 -2.441 1.00 53.91 ? 66 SER L OG 1 ATOM 2163 N N . PRO B 2 61 C -45.729 16.345 -1.366 1.00 36.85 ? 66 PRO L N 1 ATOM 2164 C CA . PRO B 2 61 C -46.085 17.617 -1.996 1.00 36.03 ? 66 PRO L CA 1 ATOM 2165 C C . PRO B 2 61 C -44.996 18.052 -2.963 1.00 34.43 ? 66 PRO L C 1 ATOM 2166 O O . PRO B 2 61 C -43.943 17.418 -3.023 1.00 31.38 ? 66 PRO L O 1 ATOM 2167 C CB . PRO B 2 61 C -46.127 18.577 -0.810 1.00 35.89 ? 66 PRO L CB 1 ATOM 2168 C CG . PRO B 2 61 C -45.082 18.043 0.111 1.00 36.96 ? 66 PRO L CG 1 ATOM 2169 C CD . PRO B 2 61 C -45.141 16.540 -0.028 1.00 30.69 ? 66 PRO L CD 1 ATOM 2170 N N . PHE B 2 62 ? -45.249 19.119 -3.711 1.00 37.82 ? 67 PHE L N 1 ATOM 2171 C CA . PHE B 2 62 ? -44.227 19.687 -4.577 1.00 41.52 ? 67 PHE L CA 1 ATOM 2172 C C . PHE B 2 62 ? -42.987 20.008 -3.751 1.00 42.35 ? 67 PHE L C 1 ATOM 2173 O O . PHE B 2 62 ? -43.086 20.579 -2.665 1.00 41.01 ? 67 PHE L O 1 ATOM 2174 C CB . PHE B 2 62 ? -44.749 20.949 -5.266 1.00 34.66 ? 67 PHE L CB 1 ATOM 2175 C CG . PHE B 2 62 ? -45.871 20.692 -6.234 1.00 35.58 ? 67 PHE L CG 1 ATOM 2176 C CD1 . PHE B 2 62 ? -45.774 19.679 -7.174 1.00 24.17 ? 67 PHE L CD1 1 ATOM 2177 C CD2 . PHE B 2 62 ? -47.024 21.458 -6.197 1.00 34.40 ? 67 PHE L CD2 1 ATOM 2178 C CE1 . PHE B 2 62 ? -46.805 19.440 -8.065 1.00 25.15 ? 67 PHE L CE1 1 ATOM 2179 C CE2 . PHE B 2 62 ? -48.060 21.222 -7.085 1.00 29.73 ? 67 PHE L CE2 1 ATOM 2180 C CZ . PHE B 2 62 ? -47.950 20.211 -8.020 1.00 25.19 ? 67 PHE L CZ 1 ATOM 2181 N N . GLY B 2 63 ? -41.820 19.627 -4.260 1.00 36.83 ? 68 GLY L N 1 ATOM 2182 C CA . GLY B 2 63 ? -40.576 19.872 -3.557 1.00 28.02 ? 68 GLY L CA 1 ATOM 2183 C C . GLY B 2 63 ? -40.011 18.619 -2.921 1.00 36.95 ? 68 GLY L C 1 ATOM 2184 O O . GLY B 2 63 ? -38.936 18.650 -2.320 1.00 39.52 ? 68 GLY L O 1 ATOM 2185 N N . THR B 2 64 ? -40.735 17.511 -3.049 1.00 32.75 ? 69 THR L N 1 ATOM 2186 C CA . THR B 2 64 ? -40.273 16.240 -2.507 1.00 35.51 ? 69 THR L CA 1 ATOM 2187 C C . THR B 2 64 ? -39.099 15.694 -3.303 1.00 30.45 ? 69 THR L C 1 ATOM 2188 O O . THR B 2 64 ? -38.893 16.064 -4.460 1.00 29.74 ? 69 THR L O 1 ATOM 2189 C CB . THR B 2 64 ? -41.388 15.177 -2.507 1.00 32.13 ? 69 THR L CB 1 ATOM 2190 O OG1 . THR B 2 64 ? -42.139 15.271 -3.724 1.00 38.97 ? 69 THR L OG1 1 ATOM 2191 C CG2 . THR B 2 64 ? -42.320 15.381 -1.325 1.00 50.46 ? 69 THR L CG2 1 ATOM 2192 N N . THR B 2 65 ? -38.332 14.816 -2.667 1.00 24.53 ? 70 THR L N 1 ATOM 2193 C CA . THR B 2 65 ? -37.277 14.078 -3.345 1.00 26.47 ? 70 THR L CA 1 ATOM 2194 C C . THR B 2 65 ? -37.695 12.621 -3.479 1.00 32.71 ? 70 THR L C 1 ATOM 2195 O O . THR B 2 65 ? -38.166 12.013 -2.518 1.00 36.11 ? 70 THR L O 1 ATOM 2196 C CB . THR B 2 65 ? -35.947 14.157 -2.581 1.00 35.88 ? 70 THR L CB 1 ATOM 2197 O OG1 . THR B 2 65 ? -35.430 15.492 -2.657 1.00 39.62 ? 70 THR L OG1 1 ATOM 2198 C CG2 . THR B 2 65 ? -34.933 13.195 -3.180 1.00 35.42 ? 70 THR L CG2 1 ATOM 2199 N N . ALA B 2 66 ? -37.534 12.069 -4.677 1.00 34.23 ? 71 ALA L N 1 ATOM 2200 C CA . ALA B 2 66 ? -37.903 10.682 -4.934 1.00 23.48 ? 71 ALA L CA 1 ATOM 2201 C C . ALA B 2 66 ? -37.150 9.742 -4.000 1.00 37.42 ? 71 ALA L C 1 ATOM 2202 O O . ALA B 2 66 ? -35.920 9.695 -4.013 1.00 43.81 ? 71 ALA L O 1 ATOM 2203 C CB . ALA B 2 66 ? -37.628 10.322 -6.383 1.00 20.59 ? 71 ALA L CB 1 ATOM 2204 N N . THR B 2 67 ? -37.890 8.996 -3.187 1.00 37.55 ? 72 THR L N 1 ATOM 2205 C CA . THR B 2 67 ? -37.274 8.072 -2.244 1.00 38.21 ? 72 THR L CA 1 ATOM 2206 C C . THR B 2 67 ? -37.763 6.643 -2.451 1.00 37.16 ? 72 THR L C 1 ATOM 2207 O O . THR B 2 67 ? -38.965 6.391 -2.535 1.00 35.83 ? 72 THR L O 1 ATOM 2208 C CB . THR B 2 67 ? -37.530 8.493 -0.783 1.00 35.85 ? 72 THR L CB 1 ATOM 2209 O OG1 . THR B 2 67 ? -37.014 9.812 -0.565 1.00 31.22 ? 72 THR L OG1 1 ATOM 2210 C CG2 . THR B 2 67 ? -36.851 7.524 0.176 1.00 34.15 ? 72 THR L CG2 1 ATOM 2211 N N . LEU B 2 68 ? -36.818 5.714 -2.542 1.00 31.02 ? 73 LEU L N 1 ATOM 2212 C CA . LEU B 2 68 ? -37.139 4.298 -2.653 1.00 25.41 ? 73 LEU L CA 1 ATOM 2213 C C . LEU B 2 68 ? -36.903 3.614 -1.314 1.00 20.58 ? 73 LEU L C 1 ATOM 2214 O O . LEU B 2 68 ? -35.793 3.636 -0.781 1.00 21.67 ? 73 LEU L O 1 ATOM 2215 C CB . LEU B 2 68 ? -36.285 3.639 -3.737 1.00 18.88 ? 73 LEU L CB 1 ATOM 2216 C CG . LEU B 2 68 ? -36.327 2.111 -3.820 1.00 21.82 ? 73 LEU L CG 1 ATOM 2217 C CD1 . LEU B 2 68 ? -37.704 1.625 -4.246 1.00 19.54 ? 73 LEU L CD1 1 ATOM 2218 C CD2 . LEU B 2 68 ? -35.252 1.595 -4.767 1.00 21.28 ? 73 LEU L CD2 1 ATOM 2219 N N . THR B 2 69 ? -37.951 3.011 -0.767 1.00 21.55 ? 74 THR L N 1 ATOM 2220 C CA . THR B 2 69 ? -37.835 2.318 0.508 1.00 32.02 ? 74 THR L CA 1 ATOM 2221 C C . THR B 2 69 ? -37.937 0.809 0.328 1.00 35.49 ? 74 THR L C 1 ATOM 2222 O O . THR B 2 69 ? -38.877 0.308 -0.287 1.00 36.57 ? 74 THR L O 1 ATOM 2223 C CB . THR B 2 69 ? -38.905 2.783 1.509 1.00 32.82 ? 74 THR L CB 1 ATOM 2224 O OG1 . THR B 2 69 ? -38.932 4.215 1.556 1.00 29.81 ? 74 THR L OG1 1 ATOM 2225 C CG2 . THR B 2 69 ? -38.601 2.241 2.896 1.00 40.92 ? 74 THR L CG2 1 ATOM 2226 N N . ILE B 2 70 ? -36.954 0.094 0.862 1.00 37.99 ? 75 ILE L N 1 ATOM 2227 C CA . ILE B 2 70 ? -36.951 -1.360 0.831 1.00 22.93 ? 75 ILE L CA 1 ATOM 2228 C C . ILE B 2 70 ? -36.929 -1.872 2.264 1.00 24.22 ? 75 ILE L C 1 ATOM 2229 O O . ILE B 2 70 ? -35.944 -1.691 2.979 1.00 32.22 ? 75 ILE L O 1 ATOM 2230 C CB . ILE B 2 70 ? -35.719 -1.902 0.084 1.00 23.43 ? 75 ILE L CB 1 ATOM 2231 C CG1 . ILE B 2 70 ? -35.493 -1.119 -1.212 1.00 26.10 ? 75 ILE L CG1 1 ATOM 2232 C CG2 . ILE B 2 70 ? -35.869 -3.394 -0.193 1.00 22.19 ? 75 ILE L CG2 1 ATOM 2233 C CD1 . ILE B 2 70 ? -34.187 -1.450 -1.908 1.00 19.86 ? 75 ILE L CD1 1 ATOM 2234 N N . THR B 2 71 ? -38.021 -2.499 2.687 1.00 33.99 ? 76 THR L N 1 ATOM 2235 C CA . THR B 2 71 ? -38.137 -2.974 4.061 1.00 35.91 ? 76 THR L CA 1 ATOM 2236 C C . THR B 2 71 ? -37.610 -4.398 4.213 1.00 47.26 ? 76 THR L C 1 ATOM 2237 O O . THR B 2 71 ? -37.575 -5.163 3.249 1.00 26.75 ? 76 THR L O 1 ATOM 2238 C CB . THR B 2 71 ? -39.592 -2.916 4.552 1.00 37.83 ? 76 THR L CB 1 ATOM 2239 O OG1 . THR B 2 71 ? -40.412 -3.741 3.717 1.00 36.23 ? 76 THR L OG1 1 ATOM 2240 C CG2 . THR B 2 71 ? -40.106 -1.486 4.504 1.00 36.86 ? 76 THR L CG2 1 ATOM 2241 N N . SER B 2 72 ? -37.199 -4.743 5.430 1.00 55.47 ? 77 SER L N 1 ATOM 2242 C CA . SER B 2 72 ? -36.715 -6.087 5.722 1.00 59.26 ? 77 SER L CA 1 ATOM 2243 C C . SER B 2 72 ? -35.717 -6.591 4.685 1.00 50.21 ? 77 SER L C 1 ATOM 2244 O O . SER B 2 72 ? -35.905 -7.652 4.089 1.00 51.61 ? 77 SER L O 1 ATOM 2245 C CB . SER B 2 72 ? -37.892 -7.057 5.837 1.00 64.07 ? 77 SER L CB 1 ATOM 2246 O OG . SER B 2 72 ? -38.857 -6.575 6.758 1.00 73.95 ? 77 SER L OG 1 ATOM 2247 N N . VAL B 2 73 ? -34.655 -5.819 4.476 1.00 35.96 ? 78 VAL L N 1 ATOM 2248 C CA . VAL B 2 73 ? -33.699 -6.070 3.402 1.00 31.40 ? 78 VAL L CA 1 ATOM 2249 C C . VAL B 2 73 ? -33.157 -7.496 3.393 1.00 33.20 ? 78 VAL L C 1 ATOM 2250 O O . VAL B 2 73 ? -33.029 -8.135 4.438 1.00 27.46 ? 78 VAL L O 1 ATOM 2251 C CB . VAL B 2 73 ? -32.516 -5.083 3.465 1.00 33.66 ? 78 VAL L CB 1 ATOM 2252 C CG1 . VAL B 2 73 ? -31.389 -5.547 2.558 1.00 34.77 ? 78 VAL L CG1 1 ATOM 2253 C CG2 . VAL B 2 73 ? -32.973 -3.682 3.086 1.00 31.67 ? 78 VAL L CG2 1 ATOM 2254 N N . GLU B 2 74 ? -32.841 -7.984 2.197 1.00 26.40 ? 79 GLU L N 1 ATOM 2255 C CA . GLU B 2 74 ? -32.238 -9.299 2.029 1.00 29.85 ? 79 GLU L CA 1 ATOM 2256 C C . GLU B 2 74 ? -31.099 -9.239 1.011 1.00 30.32 ? 79 GLU L C 1 ATOM 2257 O O . GLU B 2 74 ? -30.957 -8.259 0.283 1.00 33.93 ? 79 GLU L O 1 ATOM 2258 C CB . GLU B 2 74 ? -33.289 -10.327 1.606 1.00 35.72 ? 79 GLU L CB 1 ATOM 2259 C CG . GLU B 2 74 ? -33.996 -10.004 0.301 1.00 39.32 ? 79 GLU L CG 1 ATOM 2260 C CD . GLU B 2 74 ? -35.038 -11.044 -0.068 1.00 42.09 ? 79 GLU L CD 1 ATOM 2261 O OE1 . GLU B 2 74 ? -34.989 -11.556 -1.207 1.00 45.04 ? 79 GLU L OE1 1 ATOM 2262 O OE2 . GLU B 2 74 ? -35.906 -11.348 0.779 1.00 31.64 ? 79 GLU L OE2 1 ATOM 2263 N N . ALA B 2 75 ? -30.294 -10.295 0.963 1.00 34.98 ? 80 ALA L N 1 ATOM 2264 C CA . ALA B 2 75 ? -29.091 -10.318 0.133 1.00 28.08 ? 80 ALA L CA 1 ATOM 2265 C C . ALA B 2 75 ? -29.334 -9.911 -1.322 1.00 25.49 ? 80 ALA L C 1 ATOM 2266 O O . ALA B 2 75 ? -28.559 -9.146 -1.896 1.00 29.36 ? 80 ALA L O 1 ATOM 2267 C CB . ALA B 2 75 ? -28.429 -11.689 0.200 1.00 32.40 ? 80 ALA L CB 1 ATOM 2268 N N . GLY B 2 76 ? -30.408 -10.426 -1.913 1.00 26.31 ? 81 GLY L N 1 ATOM 2269 C CA . GLY B 2 76 ? -30.723 -10.156 -3.305 1.00 29.50 ? 81 GLY L CA 1 ATOM 2270 C C . GLY B 2 76 ? -30.882 -8.684 -3.646 1.00 32.54 ? 81 GLY L C 1 ATOM 2271 O O . GLY B 2 76 ? -30.717 -8.287 -4.800 1.00 33.04 ? 81 GLY L O 1 ATOM 2272 N N . ASP B 2 77 ? -31.200 -7.871 -2.644 1.00 34.24 ? 82 ASP L N 1 ATOM 2273 C CA . ASP B 2 77 ? -31.422 -6.445 -2.858 1.00 39.16 ? 82 ASP L CA 1 ATOM 2274 C C . ASP B 2 77 ? -30.128 -5.640 -2.833 1.00 36.82 ? 82 ASP L C 1 ATOM 2275 O O . ASP B 2 77 ? -30.154 -4.408 -2.822 1.00 42.56 ? 82 ASP L O 1 ATOM 2276 C CB . ASP B 2 77 ? -32.152 -5.830 -1.663 1.00 20.74 ? 82 ASP L CB 1 ATOM 2277 C CG . ASP B 2 77 ? -33.440 -6.550 -1.330 1.00 31.68 ? 82 ASP L CG 1 ATOM 2278 O OD1 . ASP B 2 77 ? -34.021 -7.199 -2.227 1.00 32.86 ? 82 ASP L OD1 1 ATOM 2279 O OD2 . ASP B 2 77 ? -33.874 -6.460 -0.165 1.00 35.10 ? 82 ASP L OD2 1 ATOM 2280 N N . GLU B 2 78 ? -28.998 -6.339 -2.815 1.00 31.20 ? 83 GLU L N 1 ATOM 2281 C CA . GLU B 2 78 ? -27.690 -5.716 -2.982 1.00 29.48 ? 83 GLU L CA 1 ATOM 2282 C C . GLU B 2 78 ? -27.214 -5.349 -4.385 1.00 29.80 ? 83 GLU L C 1 ATOM 2283 O O . GLU B 2 78 ? -26.702 -6.194 -5.117 1.00 37.13 ? 83 GLU L O 1 ATOM 2284 C CB . GLU B 2 78 ? -26.595 -6.639 -2.442 1.00 23.66 ? 83 GLU L CB 1 ATOM 2285 C CG . GLU B 2 78 ? -25.195 -6.066 -2.524 1.00 28.49 ? 83 GLU L CG 1 ATOM 2286 C CD . GLU B 2 78 ? -24.197 -6.856 -1.700 1.00 38.51 ? 83 GLU L CD 1 ATOM 2287 O OE1 . GLU B 2 78 ? -24.123 -6.623 -0.476 1.00 39.09 ? 83 GLU L OE1 1 ATOM 2288 O OE2 . GLU B 2 78 ? -23.490 -7.711 -2.274 1.00 47.78 ? 83 GLU L OE2 1 ATOM 2289 N N . ALA B 2 79 ? -27.391 -4.084 -4.756 1.00 27.95 ? 84 ALA L N 1 ATOM 2290 C CA . ALA B 2 79 ? -27.201 -3.628 -6.130 1.00 25.05 ? 84 ALA L CA 1 ATOM 2291 C C . ALA B 2 79 ? -27.129 -2.107 -6.206 1.00 27.21 ? 84 ALA L C 1 ATOM 2292 O O . ALA B 2 79 ? -27.261 -1.418 -5.192 1.00 22.25 ? 84 ALA L O 1 ATOM 2293 C CB . ALA B 2 79 ? -28.326 -4.148 -7.021 1.00 19.20 ? 84 ALA L CB 1 ATOM 2294 N N . ASP B 2 80 ? -26.910 -1.588 -7.410 1.00 22.47 ? 85 ASP L N 1 ATOM 2295 C CA . ASP B 2 80 ? -26.963 -0.150 -7.637 1.00 23.18 ? 85 ASP L CA 1 ATOM 2296 C C . ASP B 2 80 ? -28.400 0.243 -7.934 1.00 26.61 ? 85 ASP L C 1 ATOM 2297 O O . ASP B 2 80 ? -29.107 -0.466 -8.646 1.00 31.65 ? 85 ASP L O 1 ATOM 2298 C CB . ASP B 2 80 ? -26.063 0.255 -8.805 1.00 35.22 ? 85 ASP L CB 1 ATOM 2299 C CG . ASP B 2 80 ? -24.590 0.038 -8.513 1.00 48.08 ? 85 ASP L CG 1 ATOM 2300 O OD1 . ASP B 2 80 ? -24.224 -0.088 -7.324 1.00 43.50 ? 85 ASP L OD1 1 ATOM 2301 O OD2 . ASP B 2 80 ? -23.797 0.005 -9.478 1.00 56.07 ? 85 ASP L OD2 1 ATOM 2302 N N . TYR B 2 81 ? -28.837 1.371 -7.388 1.00 29.30 ? 86 TYR L N 1 ATOM 2303 C CA . TYR B 2 81 ? -30.210 1.815 -7.596 1.00 26.22 ? 86 TYR L CA 1 ATOM 2304 C C . TYR B 2 81 ? -30.282 3.178 -8.274 1.00 24.12 ? 86 TYR L C 1 ATOM 2305 O O . TYR B 2 81 ? -29.812 4.180 -7.737 1.00 25.46 ? 86 TYR L O 1 ATOM 2306 C CB . TYR B 2 81 ? -30.990 1.810 -6.279 1.00 20.70 ? 86 TYR L CB 1 ATOM 2307 C CG . TYR B 2 81 ? -31.337 0.418 -5.802 1.00 24.87 ? 86 TYR L CG 1 ATOM 2308 C CD1 . TYR B 2 81 ? -32.522 -0.191 -6.190 1.00 17.87 ? 86 TYR L CD1 1 ATOM 2309 C CD2 . TYR B 2 81 ? -30.476 -0.292 -4.976 1.00 25.57 ? 86 TYR L CD2 1 ATOM 2310 C CE1 . TYR B 2 81 ? -32.845 -1.462 -5.764 1.00 23.20 ? 86 TYR L CE1 1 ATOM 2311 C CE2 . TYR B 2 81 ? -30.791 -1.567 -4.543 1.00 23.36 ? 86 TYR L CE2 1 ATOM 2312 C CZ . TYR B 2 81 ? -31.977 -2.147 -4.940 1.00 23.94 ? 86 TYR L CZ 1 ATOM 2313 O OH . TYR B 2 81 ? -32.298 -3.417 -4.516 1.00 25.24 ? 86 TYR L OH 1 ATOM 2314 N N . TYR B 2 82 ? -30.871 3.195 -9.466 1.00 25.23 ? 87 TYR L N 1 ATOM 2315 C CA . TYR B 2 82 ? -31.035 4.417 -10.238 1.00 17.47 ? 87 TYR L CA 1 ATOM 2316 C C . TYR B 2 82 ? -32.501 4.798 -10.309 1.00 17.12 ? 87 TYR L C 1 ATOM 2317 O O . TYR B 2 82 ? -33.381 3.943 -10.222 1.00 18.67 ? 87 TYR L O 1 ATOM 2318 C CB . TYR B 2 82 ? -30.504 4.232 -11.661 1.00 25.41 ? 87 TYR L CB 1 ATOM 2319 C CG . TYR B 2 82 ? -29.012 4.023 -11.753 1.00 48.72 ? 87 TYR L CG 1 ATOM 2320 C CD1 . TYR B 2 82 ? -28.143 5.104 -11.824 1.00 60.40 ? 87 TYR L CD1 1 ATOM 2321 C CD2 . TYR B 2 82 ? -28.470 2.744 -11.784 1.00 63.71 ? 87 TYR L CD2 1 ATOM 2322 C CE1 . TYR B 2 82 ? -26.777 4.920 -11.914 1.00 65.45 ? 87 TYR L CE1 1 ATOM 2323 C CE2 . TYR B 2 82 ? -27.102 2.549 -11.874 1.00 71.59 ? 87 TYR L CE2 1 ATOM 2324 C CZ . TYR B 2 82 ? -26.261 3.641 -11.939 1.00 68.29 ? 87 TYR L CZ 1 ATOM 2325 O OH . TYR B 2 82 ? -24.899 3.455 -12.028 1.00 70.39 ? 87 TYR L OH 1 ATOM 2326 N N . CYS B 2 83 ? -32.759 6.088 -10.473 1.00 23.00 ? 88 CYS L N 1 ATOM 2327 C CA . CYS B 2 83 ? -34.111 6.567 -10.693 1.00 24.81 ? 88 CYS L CA 1 ATOM 2328 C C . CYS B 2 83 ? -34.153 7.367 -11.986 1.00 30.14 ? 88 CYS L C 1 ATOM 2329 O O . CYS B 2 83 ? -33.183 8.031 -12.349 1.00 27.74 ? 88 CYS L O 1 ATOM 2330 C CB . CYS B 2 83 ? -34.575 7.439 -9.528 1.00 21.93 ? 88 CYS L CB 1 ATOM 2331 S SG . CYS B 2 83 ? -33.836 9.084 -9.503 1.00 43.82 ? 88 CYS L SG 1 ATOM 2332 N N . HIS B 2 84 ? -35.278 7.293 -12.684 1.00 33.95 ? 89 HIS L N 1 ATOM 2333 C CA . HIS B 2 84 ? -35.480 8.087 -13.884 1.00 17.14 ? 89 HIS L CA 1 ATOM 2334 C C . HIS B 2 84 ? -36.700 8.969 -13.672 1.00 21.18 ? 89 HIS L C 1 ATOM 2335 O O . HIS B 2 84 ? -37.834 8.490 -13.681 1.00 19.30 ? 89 HIS L O 1 ATOM 2336 C CB . HIS B 2 84 ? -35.679 7.185 -15.098 1.00 17.50 ? 89 HIS L CB 1 ATOM 2337 C CG . HIS B 2 84 ? -35.570 7.904 -16.405 1.00 26.92 ? 89 HIS L CG 1 ATOM 2338 N ND1 . HIS B 2 84 ? -36.172 7.450 -17.558 1.00 25.79 ? 89 HIS L ND1 1 ATOM 2339 C CD2 . HIS B 2 84 ? -34.920 9.043 -16.743 1.00 27.27 ? 89 HIS L CD2 1 ATOM 2340 C CE1 . HIS B 2 84 ? -35.901 8.279 -18.549 1.00 29.55 ? 89 HIS L CE1 1 ATOM 2341 N NE2 . HIS B 2 84 ? -35.143 9.255 -18.082 1.00 25.46 ? 89 HIS L NE2 1 ATOM 2342 N N . ILE B 2 85 ? -36.462 10.259 -13.477 1.00 19.48 ? 90 ILE L N 1 ATOM 2343 C CA . ILE B 2 85 ? -37.519 11.166 -13.059 1.00 19.49 ? 90 ILE L CA 1 ATOM 2344 C C . ILE B 2 85 ? -38.190 11.871 -14.228 1.00 24.59 ? 90 ILE L C 1 ATOM 2345 O O . ILE B 2 85 ? -37.525 12.417 -15.107 1.00 23.45 ? 90 ILE L O 1 ATOM 2346 C CB . ILE B 2 85 ? -36.990 12.220 -12.073 1.00 27.97 ? 90 ILE L CB 1 ATOM 2347 C CG1 . ILE B 2 85 ? -36.468 11.543 -10.805 1.00 31.27 ? 90 ILE L CG1 1 ATOM 2348 C CG2 . ILE B 2 85 ? -38.080 13.225 -11.732 1.00 32.76 ? 90 ILE L CG2 1 ATOM 2349 C CD1 . ILE B 2 85 ? -35.944 12.511 -9.772 1.00 34.42 ? 90 ILE L CD1 1 ATOM 2350 N N . TRP B 2 86 ? -39.517 11.842 -14.229 1.00 23.03 ? 91 TRP L N 1 ATOM 2351 C CA . TRP B 2 86 ? -40.304 12.596 -15.192 1.00 23.84 ? 91 TRP L CA 1 ATOM 2352 C C . TRP B 2 86 ? -41.113 13.654 -14.453 1.00 20.46 ? 91 TRP L C 1 ATOM 2353 O O . TRP B 2 86 ? -41.972 13.334 -13.633 1.00 29.45 ? 91 TRP L O 1 ATOM 2354 C CB . TRP B 2 86 ? -41.219 11.667 -15.992 1.00 24.35 ? 91 TRP L CB 1 ATOM 2355 C CG . TRP B 2 86 ? -40.469 10.762 -16.922 1.00 25.97 ? 91 TRP L CG 1 ATOM 2356 C CD1 . TRP B 2 86 ? -39.660 9.718 -16.575 1.00 23.61 ? 91 TRP L CD1 1 ATOM 2357 C CD2 . TRP B 2 86 ? -40.456 10.820 -18.353 1.00 18.42 ? 91 TRP L CD2 1 ATOM 2358 N NE1 . TRP B 2 86 ? -39.142 9.125 -17.702 1.00 22.05 ? 91 TRP L NE1 1 ATOM 2359 C CE2 . TRP B 2 86 ? -39.617 9.782 -18.807 1.00 20.14 ? 91 TRP L CE2 1 ATOM 2360 C CE3 . TRP B 2 86 ? -41.074 11.647 -19.295 1.00 18.80 ? 91 TRP L CE3 1 ATOM 2361 C CZ2 . TRP B 2 86 ? -39.381 9.549 -20.160 1.00 19.39 ? 91 TRP L CZ2 1 ATOM 2362 C CZ3 . TRP B 2 86 ? -40.836 11.416 -20.637 1.00 19.46 ? 91 TRP L CZ3 1 ATOM 2363 C CH2 . TRP B 2 86 ? -39.997 10.377 -21.057 1.00 35.04 ? 91 TRP L CH2 1 ATOM 2364 N N . ASP B 2 87 ? -40.820 14.917 -14.741 1.00 21.46 ? 92 ASP L N 1 ATOM 2365 C CA . ASP B 2 87 ? -41.444 16.034 -14.045 1.00 18.22 ? 92 ASP L CA 1 ATOM 2366 C C . ASP B 2 87 ? -42.089 16.989 -15.049 1.00 23.19 ? 92 ASP L C 1 ATOM 2367 O O . ASP B 2 87 ? -41.442 17.447 -15.992 1.00 23.45 ? 92 ASP L O 1 ATOM 2368 C CB . ASP B 2 87 ? -40.399 16.758 -13.191 1.00 27.12 ? 92 ASP L CB 1 ATOM 2369 C CG . ASP B 2 87 ? -41.008 17.803 -12.272 1.00 29.55 ? 92 ASP L CG 1 ATOM 2370 O OD1 . ASP B 2 87 ? -41.909 18.549 -12.715 1.00 35.63 ? 92 ASP L OD1 1 ATOM 2371 O OD2 . ASP B 2 87 ? -40.576 17.878 -11.102 1.00 20.90 ? 92 ASP L OD2 1 ATOM 2372 N N . SER B 2 88 ? -43.368 17.285 -14.841 1.00 20.66 ? 93 SER L N 1 ATOM 2373 C CA . SER B 2 88 ? -44.129 18.091 -15.794 1.00 24.44 ? 93 SER L CA 1 ATOM 2374 C C . SER B 2 88 ? -43.562 19.498 -15.993 1.00 25.05 ? 93 SER L C 1 ATOM 2375 O O . SER B 2 88 ? -43.928 20.186 -16.944 1.00 23.14 ? 93 SER L O 1 ATOM 2376 C CB . SER B 2 88 ? -45.603 18.172 -15.382 1.00 24.19 ? 93 SER L CB 1 ATOM 2377 O OG . SER B 2 88 ? -45.760 18.881 -14.166 1.00 26.76 ? 93 SER L OG 1 ATOM 2378 N N . ARG B 2 89 ? -42.672 19.922 -15.102 1.00 22.51 ? 94 ARG L N 1 ATOM 2379 C CA . ARG B 2 89 ? -42.095 21.261 -15.199 1.00 23.05 ? 94 ARG L CA 1 ATOM 2380 C C . ARG B 2 89 ? -40.599 21.239 -15.508 1.00 22.17 ? 94 ARG L C 1 ATOM 2381 O O . ARG B 2 89 ? -39.961 22.285 -15.613 1.00 21.67 ? 94 ARG L O 1 ATOM 2382 C CB . ARG B 2 89 ? -42.374 22.064 -13.926 1.00 22.69 ? 94 ARG L CB 1 ATOM 2383 C CG . ARG B 2 89 ? -43.839 22.435 -13.744 1.00 24.35 ? 94 ARG L CG 1 ATOM 2384 C CD . ARG B 2 89 ? -43.988 23.908 -13.399 1.00 36.19 ? 94 ARG L CD 1 ATOM 2385 N NE . ARG B 2 89 ? -44.185 24.133 -11.972 1.00 40.31 ? 94 ARG L NE 1 ATOM 2386 C CZ . ARG B 2 89 ? -43.986 25.299 -11.365 1.00 36.69 ? 94 ARG L CZ 1 ATOM 2387 N NH1 . ARG B 2 89 ? -43.564 26.348 -12.057 1.00 29.56 ? 94 ARG L NH1 1 ATOM 2388 N NH2 . ARG B 2 89 ? -44.198 25.413 -10.061 1.00 44.05 ? 94 ARG L NH2 1 ATOM 2389 N N . VAL B 2 90 ? -40.048 20.039 -15.659 1.00 27.22 ? 95 VAL L N 1 ATOM 2390 C CA . VAL B 2 90 ? -38.639 19.875 -15.991 1.00 23.95 ? 95 VAL L CA 1 ATOM 2391 C C . VAL B 2 90 ? -38.510 19.179 -17.339 1.00 25.21 ? 95 VAL L C 1 ATOM 2392 O O . VAL B 2 90 ? -39.323 18.320 -17.673 1.00 28.67 ? 95 VAL L O 1 ATOM 2393 C CB . VAL B 2 90 ? -37.903 19.051 -14.917 1.00 20.80 ? 95 VAL L CB 1 ATOM 2394 C CG1 . VAL B 2 90 ? -36.456 18.807 -15.326 1.00 19.75 ? 95 VAL L CG1 1 ATOM 2395 C CG2 . VAL B 2 90 ? -37.973 19.755 -13.570 1.00 19.84 ? 95 VAL L CG2 1 ATOM 2396 N N . PRO B 2 91 A -37.489 19.552 -18.123 1.00 27.37 ? 95 PRO L N 1 ATOM 2397 C CA . PRO B 2 91 A -37.275 18.949 -19.444 1.00 26.94 ? 95 PRO L CA 1 ATOM 2398 C C . PRO B 2 91 A -36.962 17.459 -19.344 1.00 25.53 ? 95 PRO L C 1 ATOM 2399 O O . PRO B 2 91 A -36.327 17.021 -18.383 1.00 19.69 ? 95 PRO L O 1 ATOM 2400 C CB . PRO B 2 91 A -36.063 19.714 -19.987 1.00 23.32 ? 95 PRO L CB 1 ATOM 2401 C CG . PRO B 2 91 A -35.372 20.248 -18.776 1.00 29.75 ? 95 PRO L CG 1 ATOM 2402 C CD . PRO B 2 91 A -36.458 20.550 -17.794 1.00 29.20 ? 95 PRO L CD 1 ATOM 2403 N N . THR B 2 92 B -37.408 16.692 -20.334 1.00 24.15 ? 95 THR L N 1 ATOM 2404 C CA . THR B 2 92 B -37.203 15.248 -20.334 1.00 24.44 ? 95 THR L CA 1 ATOM 2405 C C . THR B 2 92 B -35.745 14.894 -20.042 1.00 23.04 ? 95 THR L C 1 ATOM 2406 O O . THR B 2 92 B -34.827 15.485 -20.608 1.00 24.37 ? 95 THR L O 1 ATOM 2407 C CB . THR B 2 92 B -37.638 14.618 -21.672 1.00 35.25 ? 95 THR L CB 1 ATOM 2408 O OG1 . THR B 2 92 B -37.523 13.191 -21.593 1.00 39.45 ? 95 THR L OG1 1 ATOM 2409 C CG2 . THR B 2 92 B -36.773 15.134 -22.811 1.00 50.39 ? 95 THR L CG2 1 ATOM 2410 N N . LYS B 2 93 C -35.543 13.928 -19.153 1.00 27.14 ? 95 LYS L N 1 ATOM 2411 C CA . LYS B 2 93 C -34.203 13.538 -18.722 1.00 32.83 ? 95 LYS L CA 1 ATOM 2412 C C . LYS B 2 93 C -33.626 12.417 -19.590 1.00 32.45 ? 95 LYS L C 1 ATOM 2413 O O . LYS B 2 93 C -34.261 11.381 -19.778 1.00 32.00 ? 95 LYS L O 1 ATOM 2414 C CB . LYS B 2 93 C -34.231 13.110 -17.253 1.00 27.35 ? 95 LYS L CB 1 ATOM 2415 C CG . LYS B 2 93 C -34.861 14.140 -16.331 0.00 26.26 ? 95 LYS L CG 1 ATOM 2416 C CD . LYS B 2 93 C -33.848 14.699 -15.347 0.00 26.05 ? 95 LYS L CD 1 ATOM 2417 C CE . LYS B 2 93 C -34.353 15.983 -14.704 0.00 25.76 ? 95 LYS L CE 1 ATOM 2418 N NZ . LYS B 2 93 C -35.663 15.798 -14.020 0.00 24.85 ? 95 LYS L NZ 1 ATOM 2419 N N . TRP B 2 94 ? -32.420 12.630 -20.111 1.00 28.44 ? 96 TRP L N 1 ATOM 2420 C CA . TRP B 2 94 ? -31.782 11.651 -20.991 1.00 31.10 ? 96 TRP L CA 1 ATOM 2421 C C . TRP B 2 94 ? -30.596 10.957 -20.327 1.00 34.25 ? 96 TRP L C 1 ATOM 2422 O O . TRP B 2 94 ? -29.927 10.123 -20.937 1.00 38.27 ? 96 TRP L O 1 ATOM 2423 C CB . TRP B 2 94 ? -31.366 12.299 -22.313 1.00 23.86 ? 96 TRP L CB 1 ATOM 2424 C CG . TRP B 2 94 ? -32.540 12.751 -23.126 1.00 30.76 ? 96 TRP L CG 1 ATOM 2425 C CD1 . TRP B 2 94 ? -33.136 13.978 -23.095 1.00 23.51 ? 96 TRP L CD1 1 ATOM 2426 C CD2 . TRP B 2 94 ? -33.274 11.972 -24.078 1.00 29.11 ? 96 TRP L CD2 1 ATOM 2427 N NE1 . TRP B 2 94 ? -34.190 14.013 -23.974 1.00 39.63 ? 96 TRP L NE1 1 ATOM 2428 C CE2 . TRP B 2 94 ? -34.297 12.794 -24.590 1.00 31.46 ? 96 TRP L CE2 1 ATOM 2429 C CE3 . TRP B 2 94 ? -33.162 10.661 -24.551 1.00 30.99 ? 96 TRP L CE3 1 ATOM 2430 C CZ2 . TRP B 2 94 ? -35.204 12.348 -25.550 1.00 36.56 ? 96 TRP L CZ2 1 ATOM 2431 C CZ3 . TRP B 2 94 ? -34.062 10.219 -25.503 1.00 30.48 ? 96 TRP L CZ3 1 ATOM 2432 C CH2 . TRP B 2 94 ? -35.070 11.060 -25.993 1.00 34.91 ? 96 TRP L CH2 1 ATOM 2433 N N . VAL B 2 95 ? -30.335 11.315 -19.077 1.00 21.97 ? 97 VAL L N 1 ATOM 2434 C CA . VAL B 2 95 ? -29.380 10.581 -18.262 1.00 22.04 ? 97 VAL L CA 1 ATOM 2435 C C . VAL B 2 95 ? -30.109 10.118 -17.012 1.00 24.85 ? 97 VAL L C 1 ATOM 2436 O O . VAL B 2 95 ? -30.811 10.899 -16.372 1.00 34.40 ? 97 VAL L O 1 ATOM 2437 C CB . VAL B 2 95 ? -28.160 11.441 -17.859 1.00 32.63 ? 97 VAL L CB 1 ATOM 2438 C CG1 . VAL B 2 95 ? -27.595 12.171 -19.068 1.00 29.41 ? 97 VAL L CG1 1 ATOM 2439 C CG2 . VAL B 2 95 ? -28.536 12.430 -16.766 1.00 41.24 ? 97 VAL L CG2 1 ATOM 2440 N N . PHE B 2 96 ? -29.963 8.843 -16.675 1.00 27.54 ? 98 PHE L N 1 ATOM 2441 C CA . PHE B 2 96 ? -30.590 8.321 -15.473 1.00 19.83 ? 98 PHE L CA 1 ATOM 2442 C C . PHE B 2 96 ? -29.923 8.929 -14.250 1.00 24.47 ? 98 PHE L C 1 ATOM 2443 O O . PHE B 2 96 ? -28.730 9.233 -14.269 1.00 28.45 ? 98 PHE L O 1 ATOM 2444 C CB . PHE B 2 96 ? -30.514 6.796 -15.442 1.00 19.30 ? 98 PHE L CB 1 ATOM 2445 C CG . PHE B 2 96 ? -31.221 6.138 -16.589 1.00 22.09 ? 98 PHE L CG 1 ATOM 2446 C CD1 . PHE B 2 96 ? -30.701 6.213 -17.870 1.00 25.45 ? 98 PHE L CD1 1 ATOM 2447 C CD2 . PHE B 2 96 ? -32.405 5.449 -16.391 1.00 23.42 ? 98 PHE L CD2 1 ATOM 2448 C CE1 . PHE B 2 96 ? -31.346 5.611 -18.933 1.00 34.97 ? 98 PHE L CE1 1 ATOM 2449 C CE2 . PHE B 2 96 ? -33.056 4.843 -17.451 1.00 24.69 ? 98 PHE L CE2 1 ATOM 2450 C CZ . PHE B 2 96 ? -32.526 4.925 -18.723 1.00 28.68 ? 98 PHE L CZ 1 ATOM 2451 N N . GLY B 2 97 ? -30.699 9.121 -13.191 1.00 41.72 ? 99 GLY L N 1 ATOM 2452 C CA . GLY B 2 97 ? -30.177 9.726 -11.982 1.00 39.82 ? 99 GLY L CA 1 ATOM 2453 C C . GLY B 2 97 ? -29.700 8.713 -10.960 1.00 44.43 ? 99 GLY L C 1 ATOM 2454 O O . GLY B 2 97 ? -29.783 7.505 -11.178 1.00 51.78 ? 99 GLY L O 1 ATOM 2455 N N . GLY B 2 98 ? -29.192 9.216 -9.840 1.00 46.67 ? 100 GLY L N 1 ATOM 2456 C CA . GLY B 2 98 ? -28.782 8.369 -8.735 1.00 43.81 ? 100 GLY L CA 1 ATOM 2457 C C . GLY B 2 98 ? -27.563 7.521 -9.034 1.00 39.24 ? 100 GLY L C 1 ATOM 2458 O O . GLY B 2 98 ? -26.609 7.980 -9.662 1.00 47.18 ? 100 GLY L O 1 ATOM 2459 N N . GLY B 2 99 ? -27.599 6.274 -8.578 1.00 38.70 ? 101 GLY L N 1 ATOM 2460 C CA . GLY B 2 99 ? -26.487 5.359 -8.748 1.00 36.44 ? 101 GLY L CA 1 ATOM 2461 C C . GLY B 2 99 ? -26.052 4.786 -7.414 1.00 42.76 ? 101 GLY L C 1 ATOM 2462 O O . GLY B 2 99 ? -25.044 4.085 -7.324 1.00 49.91 ? 101 GLY L O 1 ATOM 2463 N N . THR B 2 100 ? -26.824 5.088 -6.374 1.00 36.56 ? 102 THR L N 1 ATOM 2464 C CA . THR B 2 100 ? -26.519 4.639 -5.021 1.00 29.27 ? 102 THR L CA 1 ATOM 2465 C C . THR B 2 100 ? -26.341 3.127 -4.949 1.00 29.67 ? 102 THR L C 1 ATOM 2466 O O . THR B 2 100 ? -27.155 2.370 -5.477 1.00 30.69 ? 102 THR L O 1 ATOM 2467 C CB . THR B 2 100 ? -27.627 5.044 -4.035 1.00 26.27 ? 102 THR L CB 1 ATOM 2468 O OG1 . THR B 2 100 ? -27.881 6.450 -4.143 1.00 30.53 ? 102 THR L OG1 1 ATOM 2469 C CG2 . THR B 2 100 ? -27.217 4.708 -2.610 1.00 27.75 ? 102 THR L CG2 1 ATOM 2470 N N . THR B 2 101 ? -25.274 2.694 -4.288 1.00 31.04 ? 103 THR L N 1 ATOM 2471 C CA . THR B 2 101 ? -25.018 1.272 -4.098 1.00 29.48 ? 103 THR L CA 1 ATOM 2472 C C . THR B 2 101 ? -25.530 0.794 -2.744 1.00 28.65 ? 103 THR L C 1 ATOM 2473 O O . THR B 2 101 ? -25.222 1.382 -1.708 1.00 30.11 ? 103 THR L O 1 ATOM 2474 C CB . THR B 2 101 ? -23.519 0.944 -4.205 1.00 25.28 ? 103 THR L CB 1 ATOM 2475 O OG1 . THR B 2 101 ? -23.083 1.135 -5.557 1.00 25.07 ? 103 THR L OG1 1 ATOM 2476 C CG2 . THR B 2 101 ? -23.261 -0.500 -3.796 1.00 24.73 ? 103 THR L CG2 1 ATOM 2477 N N . LEU B 2 102 ? -26.317 -0.275 -2.762 1.00 24.80 ? 104 LEU L N 1 ATOM 2478 C CA . LEU B 2 102 ? -26.820 -0.869 -1.532 1.00 27.42 ? 104 LEU L CA 1 ATOM 2479 C C . LEU B 2 102 ? -26.061 -2.146 -1.202 1.00 29.12 ? 104 LEU L C 1 ATOM 2480 O O . LEU B 2 102 ? -26.127 -3.126 -1.944 1.00 29.15 ? 104 LEU L O 1 ATOM 2481 C CB . LEU B 2 102 ? -28.313 -1.170 -1.650 1.00 25.70 ? 104 LEU L CB 1 ATOM 2482 C CG . LEU B 2 102 ? -28.890 -2.028 -0.521 1.00 23.88 ? 104 LEU L CG 1 ATOM 2483 C CD1 . LEU B 2 102 ? -28.771 -1.313 0.816 1.00 22.78 ? 104 LEU L CD1 1 ATOM 2484 C CD2 . LEU B 2 102 ? -30.334 -2.402 -0.809 1.00 20.58 ? 104 LEU L CD2 1 ATOM 2485 N N . THR B 2 103 ? -25.335 -2.126 -0.089 1.00 25.09 ? 105 THR L N 1 ATOM 2486 C CA . THR B 2 103 ? -24.628 -3.309 0.385 1.00 23.25 ? 105 THR L CA 1 ATOM 2487 C C . THR B 2 103 ? -25.391 -3.957 1.533 1.00 22.70 ? 105 THR L C 1 ATOM 2488 O O . THR B 2 103 ? -25.804 -3.279 2.473 1.00 30.02 ? 105 THR L O 1 ATOM 2489 C CB . THR B 2 103 ? -23.203 -2.968 0.861 1.00 36.64 ? 105 THR L CB 1 ATOM 2490 O OG1 . THR B 2 103 ? -22.376 -2.662 -0.269 1.00 36.77 ? 105 THR L OG1 1 ATOM 2491 C CG2 . THR B 2 103 ? -22.601 -4.142 1.617 1.00 33.31 ? 105 THR L CG2 1 ATOM 2492 N N . VAL B 2 104 ? -25.585 -5.269 1.444 1.00 27.62 ? 106 VAL L N 1 ATOM 2493 C CA . VAL B 2 104 ? -26.226 -6.026 2.515 1.00 21.54 ? 106 VAL L CA 1 ATOM 2494 C C . VAL B 2 104 ? -25.153 -6.734 3.342 1.00 38.87 ? 106 VAL L C 1 ATOM 2495 O O . VAL B 2 104 ? -24.249 -7.362 2.792 1.00 42.61 ? 106 VAL L O 1 ATOM 2496 C CB . VAL B 2 104 ? -27.240 -7.045 1.961 1.00 31.64 ? 106 VAL L CB 1 ATOM 2497 C CG1 . VAL B 2 104 ? -27.891 -7.816 3.095 1.00 33.26 ? 106 VAL L CG1 1 ATOM 2498 C CG2 . VAL B 2 104 ? -28.294 -6.338 1.117 1.00 21.32 ? 106 VAL L CG2 1 ATOM 2499 N N . LEU B 2 105 ? -25.263 -6.640 4.664 1.00 37.00 ? 107 LEU L N 1 ATOM 2500 C CA . LEU B 2 105 ? -24.143 -6.954 5.552 1.00 36.79 ? 107 LEU L CA 1 ATOM 2501 C C . LEU B 2 105 ? -24.083 -8.363 6.146 1.00 40.37 ? 107 LEU L C 1 ATOM 2502 O O . LEU B 2 105 ? -23.068 -8.742 6.728 1.00 45.70 ? 107 LEU L O 1 ATOM 2503 C CB . LEU B 2 105 ? -24.089 -5.936 6.694 1.00 31.54 ? 107 LEU L CB 1 ATOM 2504 C CG . LEU B 2 105 ? -23.688 -4.515 6.307 1.00 36.82 ? 107 LEU L CG 1 ATOM 2505 C CD1 . LEU B 2 105 ? -23.858 -3.578 7.491 1.00 34.07 ? 107 LEU L CD1 1 ATOM 2506 C CD2 . LEU B 2 105 ? -22.254 -4.495 5.796 1.00 28.16 ? 107 LEU L CD2 1 ATOM 2507 N N . GLY B 2 106 ? -25.150 -9.139 6.018 1.00 25.20 ? 108 GLY L N 1 ATOM 2508 C CA . GLY B 2 106 ? -25.201 -10.419 6.705 1.00 46.75 ? 108 GLY L CA 1 ATOM 2509 C C . GLY B 2 106 ? -24.524 -11.588 6.008 1.00 33.99 ? 108 GLY L C 1 ATOM 2510 O O . GLY B 2 106 ? -24.687 -12.733 6.424 1.00 42.89 ? 108 GLY L O 1 ATOM 2511 N N . GLN B 2 107 ? -23.747 -11.305 4.967 1.00 31.32 ? 109 GLN L N 1 ATOM 2512 C CA . GLN B 2 107 ? -23.291 -12.346 4.048 1.00 25.33 ? 109 GLN L CA 1 ATOM 2513 C C . GLN B 2 107 ? -21.921 -12.935 4.367 1.00 29.09 ? 109 GLN L C 1 ATOM 2514 O O . GLN B 2 107 ? -21.059 -12.260 4.927 1.00 30.02 ? 109 GLN L O 1 ATOM 2515 C CB . GLN B 2 107 ? -23.280 -11.809 2.616 1.00 28.38 ? 109 GLN L CB 1 ATOM 2516 C CG . GLN B 2 107 ? -24.581 -11.169 2.170 1.00 26.28 ? 109 GLN L CG 1 ATOM 2517 C CD . GLN B 2 107 ? -24.504 -10.644 0.751 1.00 27.03 ? 109 GLN L CD 1 ATOM 2518 O OE1 . GLN B 2 107 ? -24.567 -11.411 -0.212 1.00 29.26 ? 109 GLN L OE1 1 ATOM 2519 N NE2 . GLN B 2 107 ? -24.357 -9.331 0.613 1.00 25.87 ? 109 GLN L NE2 1 ATOM 2520 N N . PRO B 2 108 ? -21.720 -14.209 3.995 1.00 38.26 ? 110 PRO L N 1 ATOM 2521 C CA . PRO B 2 108 ? -20.409 -14.862 4.055 1.00 42.15 ? 110 PRO L CA 1 ATOM 2522 C C . PRO B 2 108 ? -19.458 -14.200 3.065 1.00 32.15 ? 110 PRO L C 1 ATOM 2523 O O . PRO B 2 108 ? -19.849 -13.928 1.930 1.00 25.95 ? 110 PRO L O 1 ATOM 2524 C CB . PRO B 2 108 ? -20.713 -16.305 3.634 1.00 38.55 ? 110 PRO L CB 1 ATOM 2525 C CG . PRO B 2 108 ? -21.992 -16.225 2.876 1.00 37.46 ? 110 PRO L CG 1 ATOM 2526 C CD . PRO B 2 108 ? -22.772 -15.123 3.518 1.00 38.55 ? 110 PRO L CD 1 ATOM 2527 N N . LYS B 2 109 ? -18.227 -13.938 3.487 1.00 25.79 ? 111 LYS L N 1 ATOM 2528 C CA . LYS B 2 109 ? -17.328 -13.141 2.666 1.00 35.36 ? 111 LYS L CA 1 ATOM 2529 C C . LYS B 2 109 ? -15.866 -13.266 3.078 1.00 28.43 ? 111 LYS L C 1 ATOM 2530 O O . LYS B 2 109 ? -15.541 -13.826 4.124 1.00 30.50 ? 111 LYS L O 1 ATOM 2531 C CB . LYS B 2 109 ? -17.754 -11.671 2.707 1.00 29.87 ? 111 LYS L CB 1 ATOM 2532 C CG . LYS B 2 109 ? -17.742 -11.074 4.104 1.00 38.10 ? 111 LYS L CG 1 ATOM 2533 C CD . LYS B 2 109 ? -18.222 -9.632 4.110 1.00 43.40 ? 111 LYS L CD 1 ATOM 2534 C CE . LYS B 2 109 ? -17.923 -8.986 5.450 1.00 46.96 ? 111 LYS L CE 1 ATOM 2535 N NZ . LYS B 2 109 ? -16.472 -9.125 5.763 1.00 51.30 ? 111 LYS L NZ 1 ATOM 2536 N N . ALA B 2 110 ? -14.990 -12.737 2.232 1.00 24.95 ? 112 ALA L N 1 ATOM 2537 C CA . ALA B 2 110 ? -13.561 -12.717 2.505 1.00 31.41 ? 112 ALA L CA 1 ATOM 2538 C C . ALA B 2 110 ? -12.978 -11.415 1.976 1.00 22.76 ? 112 ALA L C 1 ATOM 2539 O O . ALA B 2 110 ? -13.069 -11.128 0.784 1.00 33.70 ? 112 ALA L O 1 ATOM 2540 C CB . ALA B 2 110 ? -12.878 -13.914 1.862 1.00 24.53 ? 112 ALA L CB 1 ATOM 2541 N N . ALA B 2 111 ? -12.392 -10.625 2.871 1.00 26.80 ? 113 ALA L N 1 ATOM 2542 C CA . ALA B 2 111 ? -11.851 -9.320 2.503 1.00 27.77 ? 113 ALA L CA 1 ATOM 2543 C C . ALA B 2 111 ? -10.688 -9.448 1.525 1.00 30.29 ? 113 ALA L C 1 ATOM 2544 O O . ALA B 2 111 ? -9.943 -10.428 1.561 1.00 33.08 ? 113 ALA L O 1 ATOM 2545 C CB . ALA B 2 111 ? -11.424 -8.551 3.744 1.00 26.44 ? 113 ALA L CB 1 ATOM 2546 N N . PRO B 2 112 ? -10.536 -8.453 0.642 1.00 28.36 ? 114 PRO L N 1 ATOM 2547 C CA . PRO B 2 112 ? -9.504 -8.462 -0.399 1.00 30.89 ? 114 PRO L CA 1 ATOM 2548 C C . PRO B 2 112 ? -8.126 -8.083 0.121 1.00 28.57 ? 114 PRO L C 1 ATOM 2549 O O . PRO B 2 112 ? -8.004 -7.312 1.072 1.00 32.53 ? 114 PRO L O 1 ATOM 2550 C CB . PRO B 2 112 ? -9.992 -7.384 -1.367 1.00 27.28 ? 114 PRO L CB 1 ATOM 2551 C CG . PRO B 2 112 ? -10.720 -6.428 -0.494 1.00 25.60 ? 114 PRO L CG 1 ATOM 2552 C CD . PRO B 2 112 ? -11.434 -7.293 0.508 1.00 21.68 ? 114 PRO L CD 1 ATOM 2553 N N . SER B 2 113 ? -7.097 -8.636 -0.511 1.00 24.95 ? 115 SER L N 1 ATOM 2554 C CA . SER B 2 113 ? -5.725 -8.223 -0.268 1.00 30.51 ? 115 SER L CA 1 ATOM 2555 C C . SER B 2 113 ? -5.327 -7.266 -1.384 1.00 19.07 ? 115 SER L C 1 ATOM 2556 O O . SER B 2 113 ? -5.628 -7.513 -2.550 1.00 26.63 ? 115 SER L O 1 ATOM 2557 C CB . SER B 2 113 ? -4.799 -9.439 -0.251 1.00 32.89 ? 115 SER L CB 1 ATOM 2558 O OG . SER B 2 113 ? -3.442 -9.043 -0.176 1.00 54.25 ? 115 SER L OG 1 ATOM 2559 N N . VAL B 2 114 ? -4.663 -6.170 -1.033 1.00 28.84 ? 116 VAL L N 1 ATOM 2560 C CA . VAL B 2 114 ? -4.362 -5.133 -2.018 1.00 26.80 ? 116 VAL L CA 1 ATOM 2561 C C . VAL B 2 114 ? -2.882 -4.767 -2.076 1.00 26.82 ? 116 VAL L C 1 ATOM 2562 O O . VAL B 2 114 ? -2.258 -4.471 -1.056 1.00 19.04 ? 116 VAL L O 1 ATOM 2563 C CB . VAL B 2 114 ? -5.195 -3.857 -1.769 1.00 26.04 ? 116 VAL L CB 1 ATOM 2564 C CG1 . VAL B 2 114 ? -4.872 -2.799 -2.810 1.00 22.29 ? 116 VAL L CG1 1 ATOM 2565 C CG2 . VAL B 2 114 ? -6.681 -4.183 -1.786 1.00 25.70 ? 116 VAL L CG2 1 ATOM 2566 N N . THR B 2 115 ? -2.330 -4.791 -3.285 1.00 22.76 ? 117 THR L N 1 ATOM 2567 C CA . THR B 2 115 ? -0.950 -4.384 -3.513 1.00 17.90 ? 117 THR L CA 1 ATOM 2568 C C . THR B 2 115 ? -0.893 -3.293 -4.578 1.00 20.62 ? 117 THR L C 1 ATOM 2569 O O . THR B 2 115 ? -1.346 -3.483 -5.707 1.00 17.87 ? 117 THR L O 1 ATOM 2570 C CB . THR B 2 115 ? -0.073 -5.572 -3.950 1.00 30.35 ? 117 THR L CB 1 ATOM 2571 O OG1 . THR B 2 115 ? -0.134 -6.605 -2.959 1.00 30.50 ? 117 THR L OG1 1 ATOM 2572 C CG2 . THR B 2 115 ? 1.373 -5.130 -4.123 1.00 26.43 ? 117 THR L CG2 1 ATOM 2573 N N . LEU B 2 116 ? -0.334 -2.147 -4.209 1.00 28.15 ? 118 LEU L N 1 ATOM 2574 C CA . LEU B 2 116 ? -0.230 -1.014 -5.117 1.00 17.31 ? 118 LEU L CA 1 ATOM 2575 C C . LEU B 2 116 ? 1.224 -0.755 -5.493 1.00 19.54 ? 118 LEU L C 1 ATOM 2576 O O . LEU B 2 116 ? 2.073 -0.588 -4.621 1.00 17.97 ? 118 LEU L O 1 ATOM 2577 C CB . LEU B 2 116 ? -0.837 0.231 -4.468 1.00 20.81 ? 118 LEU L CB 1 ATOM 2578 C CG . LEU B 2 116 ? -0.767 1.549 -5.239 1.00 21.14 ? 118 LEU L CG 1 ATOM 2579 C CD1 . LEU B 2 116 ? -1.433 1.423 -6.603 1.00 17.55 ? 118 LEU L CD1 1 ATOM 2580 C CD2 . LEU B 2 116 ? -1.403 2.664 -4.427 1.00 18.20 ? 118 LEU L CD2 1 ATOM 2581 N N . PHE B 2 117 ? 1.507 -0.737 -6.793 1.00 21.64 ? 119 PHE L N 1 ATOM 2582 C CA . PHE B 2 117 ? 2.844 -0.418 -7.288 1.00 17.10 ? 119 PHE L CA 1 ATOM 2583 C C . PHE B 2 117 ? 2.875 0.973 -7.903 1.00 18.57 ? 119 PHE L C 1 ATOM 2584 O O . PHE B 2 117 ? 1.942 1.368 -8.601 1.00 31.74 ? 119 PHE L O 1 ATOM 2585 C CB . PHE B 2 117 ? 3.301 -1.431 -8.340 1.00 15.84 ? 119 PHE L CB 1 ATOM 2586 C CG . PHE B 2 117 ? 3.618 -2.788 -7.786 1.00 20.58 ? 119 PHE L CG 1 ATOM 2587 C CD1 . PHE B 2 117 ? 4.817 -3.021 -7.131 1.00 23.70 ? 119 PHE L CD1 1 ATOM 2588 C CD2 . PHE B 2 117 ? 2.725 -3.836 -7.935 1.00 20.16 ? 119 PHE L CD2 1 ATOM 2589 C CE1 . PHE B 2 117 ? 5.113 -4.272 -6.623 1.00 31.45 ? 119 PHE L CE1 1 ATOM 2590 C CE2 . PHE B 2 117 ? 3.015 -5.089 -7.430 1.00 32.43 ? 119 PHE L CE2 1 ATOM 2591 C CZ . PHE B 2 117 ? 4.210 -5.308 -6.773 1.00 32.29 ? 119 PHE L CZ 1 ATOM 2592 N N . PRO B 2 118 ? 3.956 1.722 -7.649 1.00 23.31 ? 120 PRO L N 1 ATOM 2593 C CA . PRO B 2 118 ? 4.159 3.004 -8.325 1.00 24.81 ? 120 PRO L CA 1 ATOM 2594 C C . PRO B 2 118 ? 4.685 2.744 -9.729 1.00 35.66 ? 120 PRO L C 1 ATOM 2595 O O . PRO B 2 118 ? 4.976 1.595 -10.061 1.00 25.65 ? 120 PRO L O 1 ATOM 2596 C CB . PRO B 2 118 ? 5.239 3.667 -7.476 1.00 21.74 ? 120 PRO L CB 1 ATOM 2597 C CG . PRO B 2 118 ? 6.043 2.522 -6.964 1.00 22.82 ? 120 PRO L CG 1 ATOM 2598 C CD . PRO B 2 118 ? 5.057 1.406 -6.722 1.00 21.60 ? 120 PRO L CD 1 ATOM 2599 N N . PRO B 2 119 ? 4.799 3.793 -10.554 1.00 40.54 ? 121 PRO L N 1 ATOM 2600 C CA . PRO B 2 119 ? 5.400 3.601 -11.877 1.00 36.57 ? 121 PRO L CA 1 ATOM 2601 C C . PRO B 2 119 ? 6.864 3.197 -11.741 1.00 37.27 ? 121 PRO L C 1 ATOM 2602 O O . PRO B 2 119 ? 7.523 3.607 -10.786 1.00 29.61 ? 121 PRO L O 1 ATOM 2603 C CB . PRO B 2 119 ? 5.282 4.986 -12.522 1.00 34.62 ? 121 PRO L CB 1 ATOM 2604 C CG . PRO B 2 119 ? 5.151 5.938 -11.373 1.00 31.92 ? 121 PRO L CG 1 ATOM 2605 C CD . PRO B 2 119 ? 4.398 5.191 -10.317 1.00 36.55 ? 121 PRO L CD 1 ATOM 2606 N N . SER B 2 120 ? 7.363 2.392 -12.672 1.00 24.94 ? 122 SER L N 1 ATOM 2607 C CA . SER B 2 120 ? 8.764 1.991 -12.640 1.00 27.06 ? 122 SER L CA 1 ATOM 2608 C C . SER B 2 120 ? 9.633 3.069 -13.272 1.00 38.75 ? 122 SER L C 1 ATOM 2609 O O . SER B 2 120 ? 9.203 3.761 -14.196 1.00 39.51 ? 122 SER L O 1 ATOM 2610 C CB . SER B 2 120 ? 8.967 0.654 -13.359 1.00 32.43 ? 122 SER L CB 1 ATOM 2611 O OG . SER B 2 120 ? 8.638 0.751 -14.735 1.00 31.27 ? 122 SER L OG 1 ATOM 2612 N N . SER B 2 121 ? 10.855 3.214 -12.769 1.00 42.52 ? 123 SER L N 1 ATOM 2613 C CA . SER B 2 121 ? 11.789 4.187 -13.321 1.00 43.06 ? 123 SER L CA 1 ATOM 2614 C C . SER B 2 121 ? 12.004 3.950 -14.814 1.00 47.27 ? 123 SER L C 1 ATOM 2615 O O . SER B 2 121 ? 12.241 4.891 -15.573 1.00 34.08 ? 123 SER L O 1 ATOM 2616 C CB . SER B 2 121 ? 13.122 4.142 -12.572 1.00 41.94 ? 123 SER L CB 1 ATOM 2617 O OG . SER B 2 121 ? 13.666 2.835 -12.580 1.00 53.36 ? 123 SER L OG 1 ATOM 2618 N N . GLU B 2 122 ? 11.911 2.691 -15.230 1.00 41.43 ? 124 GLU L N 1 ATOM 2619 C CA . GLU B 2 122 ? 12.055 2.339 -16.638 1.00 43.08 ? 124 GLU L CA 1 ATOM 2620 C C . GLU B 2 122 ? 10.936 2.949 -17.482 1.00 42.73 ? 124 GLU L C 1 ATOM 2621 O O . GLU B 2 122 ? 11.189 3.510 -18.549 1.00 35.14 ? 124 GLU L O 1 ATOM 2622 C CB . GLU B 2 122 ? 12.084 0.818 -16.823 1.00 46.75 ? 124 GLU L CB 1 ATOM 2623 C CG . GLU B 2 122 ? 13.320 0.131 -16.259 1.00 52.90 ? 124 GLU L CG 1 ATOM 2624 C CD . GLU B 2 122 ? 13.341 0.106 -14.740 1.00 65.64 ? 124 GLU L CD 1 ATOM 2625 O OE1 . GLU B 2 122 ? 12.364 0.574 -14.119 1.00 34.52 ? 124 GLU L OE1 1 ATOM 2626 O OE2 . GLU B 2 122 ? 14.337 -0.386 -14.167 1.00 78.66 ? 124 GLU L OE2 1 ATOM 2627 N N . GLU B 2 123 ? 9.701 2.836 -17.001 1.00 31.28 ? 125 GLU L N 1 ATOM 2628 C CA . GLU B 2 123 ? 8.555 3.389 -17.718 1.00 40.29 ? 125 GLU L CA 1 ATOM 2629 C C . GLU B 2 123 ? 8.619 4.912 -17.758 1.00 37.19 ? 125 GLU L C 1 ATOM 2630 O O . GLU B 2 123 ? 8.253 5.532 -18.757 1.00 34.18 ? 125 GLU L O 1 ATOM 2631 C CB . GLU B 2 123 ? 7.236 2.942 -17.081 1.00 32.88 ? 125 GLU L CB 1 ATOM 2632 C CG . GLU B 2 123 ? 6.009 3.316 -17.900 1.00 37.92 ? 125 GLU L CG 1 ATOM 2633 C CD . GLU B 2 123 ? 4.706 3.011 -17.188 1.00 37.94 ? 125 GLU L CD 1 ATOM 2634 O OE1 . GLU B 2 123 ? 3.659 2.951 -17.867 1.00 33.54 ? 125 GLU L OE1 1 ATOM 2635 O OE2 . GLU B 2 123 ? 4.726 2.840 -15.951 1.00 36.10 ? 125 GLU L OE2 1 ATOM 2636 N N . LEU B 2 124 ? 9.086 5.505 -16.664 1.00 33.93 ? 126 LEU L N 1 ATOM 2637 C CA . LEU B 2 124 ? 9.229 6.953 -16.569 1.00 30.21 ? 126 LEU L CA 1 ATOM 2638 C C . LEU B 2 124 ? 10.200 7.496 -17.616 1.00 39.59 ? 126 LEU L C 1 ATOM 2639 O O . LEU B 2 124 ? 9.938 8.526 -18.239 1.00 39.61 ? 126 LEU L O 1 ATOM 2640 C CB . LEU B 2 124 ? 9.680 7.354 -15.165 1.00 29.91 ? 126 LEU L CB 1 ATOM 2641 C CG . LEU B 2 124 ? 8.658 7.118 -14.052 1.00 36.33 ? 126 LEU L CG 1 ATOM 2642 C CD1 . LEU B 2 124 ? 9.230 7.510 -12.700 1.00 34.91 ? 126 LEU L CD1 1 ATOM 2643 C CD2 . LEU B 2 124 ? 7.375 7.885 -14.339 1.00 37.92 ? 126 LEU L CD2 1 ATOM 2644 N N . GLN B 2 125 ? 11.320 6.804 -17.804 1.00 34.42 ? 127 GLN L N 1 ATOM 2645 C CA . GLN B 2 125 ? 12.290 7.197 -18.824 1.00 46.04 ? 127 GLN L CA 1 ATOM 2646 C C . GLN B 2 125 ? 11.652 7.160 -20.209 1.00 45.03 ? 127 GLN L C 1 ATOM 2647 O O . GLN B 2 125 ? 12.097 7.847 -21.130 1.00 41.55 ? 127 GLN L O 1 ATOM 2648 C CB . GLN B 2 125 ? 13.532 6.300 -18.781 1.00 41.93 ? 127 GLN L CB 1 ATOM 2649 C CG . GLN B 2 125 ? 14.366 6.449 -17.513 1.00 45.94 ? 127 GLN L CG 1 ATOM 2650 C CD . GLN B 2 125 ? 15.758 5.857 -17.653 1.00 60.58 ? 127 GLN L CD 1 ATOM 2651 O OE1 . GLN B 2 125 ? 16.151 5.414 -18.734 1.00 66.76 ? 127 GLN L OE1 1 ATOM 2652 N NE2 . GLN B 2 125 ? 16.512 5.851 -16.559 1.00 67.74 ? 127 GLN L NE2 1 ATOM 2653 N N . ALA B 2 126 ? 10.604 6.355 -20.348 1.00 49.92 ? 128 ALA L N 1 ATOM 2654 C CA . ALA B 2 126 ? 9.853 6.281 -21.595 1.00 46.47 ? 128 ALA L CA 1 ATOM 2655 C C . ALA B 2 126 ? 8.748 7.335 -21.618 1.00 46.32 ? 128 ALA L C 1 ATOM 2656 O O . ALA B 2 126 ? 7.890 7.330 -22.500 1.00 35.87 ? 128 ALA L O 1 ATOM 2657 C CB . ALA B 2 126 ? 9.269 4.889 -21.784 1.00 42.70 ? 128 ALA L CB 1 ATOM 2658 N N . ASN B 2 127 ? 8.778 8.237 -20.641 1.00 43.15 ? 129 ASN L N 1 ATOM 2659 C CA . ASN B 2 127 ? 7.795 9.315 -20.541 1.00 45.89 ? 129 ASN L CA 1 ATOM 2660 C C . ASN B 2 127 ? 6.358 8.839 -20.398 1.00 42.41 ? 129 ASN L C 1 ATOM 2661 O O . ASN B 2 127 ? 5.436 9.459 -20.926 1.00 43.50 ? 129 ASN L O 1 ATOM 2662 C CB . ASN B 2 127 ? 7.903 10.267 -21.731 1.00 54.55 ? 129 ASN L CB 1 ATOM 2663 C CG . ASN B 2 127 ? 8.876 11.396 -21.481 1.00 68.95 ? 129 ASN L CG 1 ATOM 2664 O OD1 . ASN B 2 127 ? 8.960 11.924 -20.370 1.00 69.14 ? 129 ASN L OD1 1 ATOM 2665 N ND2 . ASN B 2 127 ? 9.628 11.767 -22.510 1.00 75.89 ? 129 ASN L ND2 1 ATOM 2666 N N . LYS B 2 128 ? 6.173 7.735 -19.688 1.00 32.14 ? 130 LYS L N 1 ATOM 2667 C CA . LYS B 2 128 ? 4.838 7.266 -19.359 1.00 34.32 ? 130 LYS L CA 1 ATOM 2668 C C . LYS B 2 128 ? 4.820 6.793 -17.913 1.00 34.71 ? 130 LYS L C 1 ATOM 2669 O O . LYS B 2 128 ? 5.871 6.542 -17.322 1.00 26.69 ? 130 LYS L O 1 ATOM 2670 C CB . LYS B 2 128 ? 4.393 6.153 -20.310 1.00 28.75 ? 130 LYS L CB 1 ATOM 2671 C CG . LYS B 2 128 ? 4.391 6.560 -21.779 1.00 32.94 ? 130 LYS L CG 1 ATOM 2672 C CD . LYS B 2 128 ? 3.559 5.606 -22.627 1.00 42.37 ? 130 LYS L CD 1 ATOM 2673 C CE . LYS B 2 128 ? 2.145 6.135 -22.842 1.00 42.94 ? 130 LYS L CE 1 ATOM 2674 N NZ . LYS B 2 128 ? 2.133 7.351 -23.708 1.00 43.26 ? 130 LYS L NZ 1 ATOM 2675 N N . ALA B 2 129 ? 3.625 6.689 -17.341 1.00 27.47 ? 131 ALA L N 1 ATOM 2676 C CA . ALA B 2 129 ? 3.483 6.298 -15.946 1.00 25.38 ? 131 ALA L CA 1 ATOM 2677 C C . ALA B 2 129 ? 2.204 5.501 -15.716 1.00 30.07 ? 131 ALA L C 1 ATOM 2678 O O . ALA B 2 129 ? 1.150 5.815 -16.272 1.00 29.85 ? 131 ALA L O 1 ATOM 2679 C CB . ALA B 2 129 ? 3.517 7.523 -15.044 1.00 22.90 ? 131 ALA L CB 1 ATOM 2680 N N . THR B 2 130 ? 2.307 4.466 -14.889 1.00 32.60 ? 132 THR L N 1 ATOM 2681 C CA . THR B 2 130 ? 1.161 3.628 -14.576 1.00 28.18 ? 132 THR L CA 1 ATOM 2682 C C . THR B 2 130 ? 1.188 3.162 -13.125 1.00 21.51 ? 132 THR L C 1 ATOM 2683 O O . THR B 2 130 ? 2.175 2.589 -12.665 1.00 24.80 ? 132 THR L O 1 ATOM 2684 C CB . THR B 2 130 ? 1.103 2.398 -15.497 1.00 35.00 ? 132 THR L CB 1 ATOM 2685 O OG1 . THR B 2 130 ? 1.116 2.824 -16.865 1.00 32.47 ? 132 THR L OG1 1 ATOM 2686 C CG2 . THR B 2 130 ? -0.158 1.588 -15.229 1.00 34.93 ? 132 THR L CG2 1 ATOM 2687 N N . LEU B 2 131 ? 0.102 3.430 -12.407 1.00 24.92 ? 133 LEU L N 1 ATOM 2688 C CA . LEU B 2 131 ? -0.096 2.883 -11.072 1.00 21.58 ? 133 LEU L CA 1 ATOM 2689 C C . LEU B 2 131 ? -0.854 1.569 -11.198 1.00 22.74 ? 133 LEU L C 1 ATOM 2690 O O . LEU B 2 131 ? -1.848 1.483 -11.921 1.00 23.87 ? 133 LEU L O 1 ATOM 2691 C CB . LEU B 2 131 ? -0.876 3.865 -10.194 1.00 18.75 ? 133 LEU L CB 1 ATOM 2692 C CG . LEU B 2 131 ? -0.110 5.085 -9.677 1.00 24.57 ? 133 LEU L CG 1 ATOM 2693 C CD1 . LEU B 2 131 ? -1.061 6.206 -9.308 1.00 21.37 ? 133 LEU L CD1 1 ATOM 2694 C CD2 . LEU B 2 131 ? 0.743 4.703 -8.478 1.00 40.16 ? 133 LEU L CD2 1 ATOM 2695 N N . VAL B 2 132 ? -0.377 0.545 -10.500 1.00 22.99 ? 134 VAL L N 1 ATOM 2696 C CA . VAL B 2 132 ? -0.957 -0.787 -10.603 1.00 15.81 ? 134 VAL L CA 1 ATOM 2697 C C . VAL B 2 132 ? -1.528 -1.248 -9.269 1.00 17.58 ? 134 VAL L C 1 ATOM 2698 O O . VAL B 2 132 ? -0.793 -1.443 -8.300 1.00 20.95 ? 134 VAL L O 1 ATOM 2699 C CB . VAL B 2 132 ? 0.087 -1.815 -11.083 1.00 36.82 ? 134 VAL L CB 1 ATOM 2700 C CG1 . VAL B 2 132 ? -0.545 -3.195 -11.209 1.00 32.60 ? 134 VAL L CG1 1 ATOM 2701 C CG2 . VAL B 2 132 ? 0.701 -1.372 -12.406 1.00 27.47 ? 134 VAL L CG2 1 ATOM 2702 N N . CYS B 2 133 ? -2.844 -1.421 -9.225 1.00 17.41 ? 135 CYS L N 1 ATOM 2703 C CA . CYS B 2 133 ? -3.513 -1.880 -8.016 1.00 16.89 ? 135 CYS L CA 1 ATOM 2704 C C . CYS B 2 133 ? -4.022 -3.304 -8.199 1.00 22.60 ? 135 CYS L C 1 ATOM 2705 O O . CYS B 2 133 ? -4.996 -3.541 -8.914 1.00 20.40 ? 135 CYS L O 1 ATOM 2706 C CB . CYS B 2 133 ? -4.667 -0.946 -7.651 1.00 14.57 ? 135 CYS L CB 1 ATOM 2707 S SG . CYS B 2 133 ? -5.413 -1.297 -6.046 1.00 35.11 ? 135 CYS L SG 1 ATOM 2708 N N . LEU B 2 134 ? -3.351 -4.249 -7.550 1.00 19.07 ? 136 LEU L N 1 ATOM 2709 C CA . LEU B 2 134 ? -3.691 -5.661 -7.674 1.00 24.60 ? 136 LEU L CA 1 ATOM 2710 C C . LEU B 2 134 ? -4.556 -6.123 -6.505 1.00 23.88 ? 136 LEU L C 1 ATOM 2711 O O . LEU B 2 134 ? -4.165 -6.008 -5.343 1.00 21.25 ? 136 LEU L O 1 ATOM 2712 C CB . LEU B 2 134 ? -2.420 -6.506 -7.767 1.00 20.70 ? 136 LEU L CB 1 ATOM 2713 C CG . LEU B 2 134 ? -1.534 -6.199 -8.976 1.00 20.00 ? 136 LEU L CG 1 ATOM 2714 C CD1 . LEU B 2 134 ? -0.237 -6.985 -8.916 1.00 23.41 ? 136 LEU L CD1 1 ATOM 2715 C CD2 . LEU B 2 134 ? -2.284 -6.495 -10.265 1.00 19.63 ? 136 LEU L CD2 1 ATOM 2716 N N . ILE B 2 135 ? -5.736 -6.641 -6.823 1.00 22.67 ? 137 ILE L N 1 ATOM 2717 C CA . ILE B 2 135 ? -6.681 -7.066 -5.800 1.00 23.48 ? 137 ILE L CA 1 ATOM 2718 C C . ILE B 2 135 ? -6.918 -8.568 -5.889 1.00 24.05 ? 137 ILE L C 1 ATOM 2719 O O . ILE B 2 135 ? -7.233 -9.091 -6.958 1.00 37.38 ? 137 ILE L O 1 ATOM 2720 C CB . ILE B 2 135 ? -8.020 -6.320 -5.947 1.00 22.22 ? 137 ILE L CB 1 ATOM 2721 C CG1 . ILE B 2 135 ? -7.768 -4.820 -6.143 1.00 18.35 ? 137 ILE L CG1 1 ATOM 2722 C CG2 . ILE B 2 135 ? -8.913 -6.581 -4.741 1.00 14.31 ? 137 ILE L CG2 1 ATOM 2723 C CD1 . ILE B 2 135 ? -8.977 -4.045 -6.613 1.00 12.69 ? 137 ILE L CD1 1 ATOM 2724 N N . SER B 2 136 ? -6.767 -9.263 -4.767 1.00 23.63 ? 138 SER L N 1 ATOM 2725 C CA . SER B 2 136 ? -6.898 -10.716 -4.768 1.00 30.45 ? 138 SER L CA 1 ATOM 2726 C C . SER B 2 136 ? -7.570 -11.273 -3.515 1.00 32.45 ? 138 SER L C 1 ATOM 2727 O O . SER B 2 136 ? -7.676 -10.594 -2.491 1.00 24.67 ? 138 SER L O 1 ATOM 2728 C CB . SER B 2 136 ? -5.525 -11.370 -4.955 1.00 28.97 ? 138 SER L CB 1 ATOM 2729 O OG . SER B 2 136 ? -4.637 -10.997 -3.914 1.00 33.97 ? 138 SER L OG 1 ATOM 2730 N N . ASP B 2 137 ? -8.027 -12.518 -3.620 1.00 29.49 ? 139 ASP L N 1 ATOM 2731 C CA . ASP B 2 137 ? -8.541 -13.269 -2.479 1.00 29.97 ? 139 ASP L CA 1 ATOM 2732 C C . ASP B 2 137 ? -9.762 -12.641 -1.811 1.00 26.18 ? 139 ASP L C 1 ATOM 2733 O O . ASP B 2 137 ? -9.836 -12.569 -0.586 1.00 36.65 ? 139 ASP L O 1 ATOM 2734 C CB . ASP B 2 137 ? -7.434 -13.485 -1.443 1.00 35.70 ? 139 ASP L CB 1 ATOM 2735 C CG . ASP B 2 137 ? -6.403 -14.500 -1.895 1.00 41.13 ? 139 ASP L CG 1 ATOM 2736 O OD1 . ASP B 2 137 ? -6.787 -15.478 -2.572 1.00 31.63 ? 139 ASP L OD1 1 ATOM 2737 O OD2 . ASP B 2 137 ? -5.209 -14.320 -1.574 1.00 51.35 ? 139 ASP L OD2 1 ATOM 2738 N N . PHE B 2 138 ? -10.723 -12.197 -2.611 1.00 19.75 ? 140 PHE L N 1 ATOM 2739 C CA . PHE B 2 138 ? -11.954 -11.653 -2.053 1.00 24.83 ? 140 PHE L CA 1 ATOM 2740 C C . PHE B 2 138 ? -13.180 -12.452 -2.485 1.00 33.63 ? 140 PHE L C 1 ATOM 2741 O O . PHE B 2 138 ? -13.174 -13.108 -3.527 1.00 35.09 ? 140 PHE L O 1 ATOM 2742 C CB . PHE B 2 138 ? -12.110 -10.165 -2.390 1.00 22.35 ? 140 PHE L CB 1 ATOM 2743 C CG . PHE B 2 138 ? -12.111 -9.864 -3.862 1.00 19.72 ? 140 PHE L CG 1 ATOM 2744 C CD1 . PHE B 2 138 ? -10.923 -9.624 -4.536 1.00 18.94 ? 140 PHE L CD1 1 ATOM 2745 C CD2 . PHE B 2 138 ? -13.302 -9.794 -4.568 1.00 21.28 ? 140 PHE L CD2 1 ATOM 2746 C CE1 . PHE B 2 138 ? -10.922 -9.335 -5.890 1.00 18.95 ? 140 PHE L CE1 1 ATOM 2747 C CE2 . PHE B 2 138 ? -13.308 -9.505 -5.923 1.00 23.34 ? 140 PHE L CE2 1 ATOM 2748 C CZ . PHE B 2 138 ? -12.117 -9.274 -6.584 1.00 20.53 ? 140 PHE L CZ 1 ATOM 2749 N N . TYR B 2 139 ? -14.224 -12.397 -1.665 1.00 27.67 ? 141 TYR L N 1 ATOM 2750 C CA . TYR B 2 139 ? -15.455 -13.138 -1.914 1.00 26.26 ? 141 TYR L CA 1 ATOM 2751 C C . TYR B 2 139 ? -16.595 -12.488 -1.141 1.00 18.43 ? 141 TYR L C 1 ATOM 2752 O O . TYR B 2 139 ? -16.437 -12.172 0.037 1.00 24.34 ? 141 TYR L O 1 ATOM 2753 C CB . TYR B 2 139 ? -15.293 -14.593 -1.470 1.00 25.69 ? 141 TYR L CB 1 ATOM 2754 C CG . TYR B 2 139 ? -16.524 -15.445 -1.685 1.00 23.82 ? 141 TYR L CG 1 ATOM 2755 C CD1 . TYR B 2 139 ? -17.547 -15.473 -0.744 1.00 25.74 ? 141 TYR L CD1 1 ATOM 2756 C CD2 . TYR B 2 139 ? -16.662 -16.222 -2.827 1.00 20.63 ? 141 TYR L CD2 1 ATOM 2757 C CE1 . TYR B 2 139 ? -18.675 -16.250 -0.939 1.00 22.99 ? 141 TYR L CE1 1 ATOM 2758 C CE2 . TYR B 2 139 ? -17.784 -17.000 -3.030 1.00 28.79 ? 141 TYR L CE2 1 ATOM 2759 C CZ . TYR B 2 139 ? -18.787 -17.012 -2.083 1.00 30.32 ? 141 TYR L CZ 1 ATOM 2760 O OH . TYR B 2 139 ? -19.904 -17.790 -2.283 1.00 35.37 ? 141 TYR L OH 1 ATOM 2761 N N . PRO B 2 140 ? -17.751 -12.288 -1.795 1.00 20.55 ? 142 PRO L N 1 ATOM 2762 C CA . PRO B 2 140 ? -18.056 -12.657 -3.183 1.00 25.39 ? 142 PRO L CA 1 ATOM 2763 C C . PRO B 2 140 ? -17.219 -11.882 -4.196 1.00 23.21 ? 142 PRO L C 1 ATOM 2764 O O . PRO B 2 140 ? -16.433 -11.017 -3.813 1.00 28.50 ? 142 PRO L O 1 ATOM 2765 C CB . PRO B 2 140 ? -19.534 -12.268 -3.334 1.00 23.62 ? 142 PRO L CB 1 ATOM 2766 C CG . PRO B 2 140 ? -20.061 -12.175 -1.943 1.00 23.00 ? 142 PRO L CG 1 ATOM 2767 C CD . PRO B 2 140 ? -18.914 -11.684 -1.124 1.00 27.62 ? 142 PRO L CD 1 ATOM 2768 N N . GLY B 2 141 ? -17.407 -12.188 -5.477 1.00 25.53 ? 143 GLY L N 1 ATOM 2769 C CA . GLY B 2 141 ? -16.618 -11.588 -6.540 1.00 25.91 ? 143 GLY L CA 1 ATOM 2770 C C . GLY B 2 141 ? -17.145 -10.255 -7.036 1.00 24.51 ? 143 GLY L C 1 ATOM 2771 O O . GLY B 2 141 ? -17.444 -10.094 -8.220 1.00 21.15 ? 143 GLY L O 1 ATOM 2772 N N . ALA B 2 142 ? -17.255 -9.292 -6.129 1.00 27.10 ? 144 ALA L N 1 ATOM 2773 C CA . ALA B 2 142 ? -17.719 -7.959 -6.487 1.00 33.10 ? 144 ALA L CA 1 ATOM 2774 C C . ALA B 2 142 ? -16.981 -6.894 -5.684 1.00 28.80 ? 144 ALA L C 1 ATOM 2775 O O . ALA B 2 142 ? -17.061 -6.860 -4.456 1.00 30.23 ? 144 ALA L O 1 ATOM 2776 C CB . ALA B 2 142 ? -19.218 -7.842 -6.274 1.00 34.87 ? 144 ALA L CB 1 ATOM 2777 N N . VAL B 2 143 ? -16.256 -6.033 -6.389 1.00 20.50 ? 145 VAL L N 1 ATOM 2778 C CA . VAL B 2 143 ? -15.539 -4.936 -5.758 1.00 27.49 ? 145 VAL L CA 1 ATOM 2779 C C . VAL B 2 143 ? -15.764 -3.644 -6.531 1.00 31.02 ? 145 VAL L C 1 ATOM 2780 O O . VAL B 2 143 ? -16.127 -3.668 -7.706 1.00 30.80 ? 145 VAL L O 1 ATOM 2781 C CB . VAL B 2 143 ? -14.022 -5.212 -5.696 1.00 23.20 ? 145 VAL L CB 1 ATOM 2782 C CG1 . VAL B 2 143 ? -13.718 -6.318 -4.696 1.00 21.49 ? 145 VAL L CG1 1 ATOM 2783 C CG2 . VAL B 2 143 ? -13.489 -5.564 -7.080 1.00 18.19 ? 145 VAL L CG2 1 ATOM 2784 N N . THR B 2 144 ? -15.556 -2.516 -5.860 1.00 25.58 ? 146 THR L N 1 ATOM 2785 C CA . THR B 2 144 ? -15.545 -1.221 -6.529 1.00 27.59 ? 146 THR L CA 1 ATOM 2786 C C . THR B 2 144 ? -14.238 -0.504 -6.206 1.00 24.31 ? 146 THR L C 1 ATOM 2787 O O . THR B 2 144 ? -13.867 -0.370 -5.042 1.00 29.31 ? 146 THR L O 1 ATOM 2788 C CB . THR B 2 144 ? -16.746 -0.342 -6.116 1.00 37.02 ? 146 THR L CB 1 ATOM 2789 O OG1 . THR B 2 144 ? -16.723 -0.124 -4.700 1.00 41.45 ? 146 THR L OG1 1 ATOM 2790 C CG2 . THR B 2 144 ? -18.060 -1.011 -6.501 1.00 29.98 ? 146 THR L CG2 1 ATOM 2791 N N . VAL B 2 145 ? -13.537 -0.055 -7.241 1.00 22.95 ? 147 VAL L N 1 ATOM 2792 C CA . VAL B 2 145 ? -12.250 0.600 -7.053 1.00 26.12 ? 147 VAL L CA 1 ATOM 2793 C C . VAL B 2 145 ? -12.337 2.101 -7.299 1.00 29.95 ? 147 VAL L C 1 ATOM 2794 O O . VAL B 2 145 ? -12.856 2.543 -8.324 1.00 36.94 ? 147 VAL L O 1 ATOM 2795 C CB . VAL B 2 145 ? -11.173 0.004 -7.977 1.00 28.69 ? 147 VAL L CB 1 ATOM 2796 C CG1 . VAL B 2 145 ? -9.813 0.619 -7.670 1.00 23.89 ? 147 VAL L CG1 1 ATOM 2797 C CG2 . VAL B 2 145 ? -11.130 -1.510 -7.829 1.00 34.26 ? 147 VAL L CG2 1 ATOM 2798 N N . ALA B 2 146 ? -11.826 2.878 -6.350 1.00 24.31 ? 148 ALA L N 1 ATOM 2799 C CA . ALA B 2 146 ? -11.772 4.328 -6.486 1.00 25.61 ? 148 ALA L CA 1 ATOM 2800 C C . ALA B 2 146 ? -10.337 4.813 -6.326 1.00 28.55 ? 148 ALA L C 1 ATOM 2801 O O . ALA B 2 146 ? -9.611 4.352 -5.446 1.00 25.43 ? 148 ALA L O 1 ATOM 2802 C CB . ALA B 2 146 ? -12.679 4.995 -5.462 1.00 19.79 ? 148 ALA L CB 1 ATOM 2803 N N . TRP B 2 147 ? -9.932 5.745 -7.181 1.00 36.38 ? 149 TRP L N 1 ATOM 2804 C CA . TRP B 2 147 ? -8.576 6.276 -7.140 1.00 31.23 ? 149 TRP L CA 1 ATOM 2805 C C . TRP B 2 147 ? -8.544 7.690 -6.579 1.00 29.08 ? 149 TRP L C 1 ATOM 2806 O O . TRP B 2 147 ? -9.442 8.491 -6.833 1.00 26.43 ? 149 TRP L O 1 ATOM 2807 C CB . TRP B 2 147 ? -7.947 6.259 -8.533 1.00 27.89 ? 149 TRP L CB 1 ATOM 2808 C CG . TRP B 2 147 ? -7.588 4.891 -9.017 1.00 29.74 ? 149 TRP L CG 1 ATOM 2809 C CD1 . TRP B 2 147 ? -8.390 4.029 -9.706 1.00 28.22 ? 149 TRP L CD1 1 ATOM 2810 C CD2 . TRP B 2 147 ? -6.328 4.227 -8.856 1.00 26.74 ? 149 TRP L CD2 1 ATOM 2811 N NE1 . TRP B 2 147 ? -7.708 2.869 -9.982 1.00 29.33 ? 149 TRP L NE1 1 ATOM 2812 C CE2 . TRP B 2 147 ? -6.440 2.965 -9.472 1.00 23.62 ? 149 TRP L CE2 1 ATOM 2813 C CE3 . TRP B 2 147 ? -5.117 4.577 -8.251 1.00 14.89 ? 149 TRP L CE3 1 ATOM 2814 C CZ2 . TRP B 2 147 ? -5.388 2.052 -9.500 1.00 20.37 ? 149 TRP L CZ2 1 ATOM 2815 C CZ3 . TRP B 2 147 ? -4.073 3.666 -8.280 1.00 27.31 ? 149 TRP L CZ3 1 ATOM 2816 C CH2 . TRP B 2 147 ? -4.216 2.420 -8.900 1.00 21.74 ? 149 TRP L CH2 1 ATOM 2817 N N . LYS B 2 148 ? -7.498 7.990 -5.820 1.00 21.28 ? 150 LYS L N 1 ATOM 2818 C CA . LYS B 2 148 ? -7.333 9.316 -5.246 1.00 28.82 ? 150 LYS L CA 1 ATOM 2819 C C . LYS B 2 148 ? -5.983 9.917 -5.622 1.00 36.35 ? 150 LYS L C 1 ATOM 2820 O O . LYS B 2 148 ? -4.932 9.367 -5.292 1.00 36.64 ? 150 LYS L O 1 ATOM 2821 C CB . LYS B 2 148 ? -7.478 9.267 -3.721 1.00 30.20 ? 150 LYS L CB 1 ATOM 2822 C CG . LYS B 2 148 ? -8.884 8.954 -3.226 1.00 38.49 ? 150 LYS L CG 1 ATOM 2823 C CD . LYS B 2 148 ? -9.856 10.072 -3.576 1.00 53.47 ? 150 LYS L CD 1 ATOM 2824 C CE . LYS B 2 148 ? -11.272 9.747 -3.120 1.00 55.52 ? 150 LYS L CE 1 ATOM 2825 N NZ . LYS B 2 148 ? -11.342 9.503 -1.653 1.00 55.91 ? 150 LYS L NZ 1 ATOM 2826 N N . ALA B 2 149 ? -6.018 11.042 -6.328 1.00 37.60 ? 151 ALA L N 1 ATOM 2827 C CA . ALA B 2 149 ? -4.818 11.831 -6.564 1.00 33.52 ? 151 ALA L CA 1 ATOM 2828 C C . ALA B 2 149 ? -4.811 12.693 -5.312 1.00 23.96 ? 151 ALA L C 1 ATOM 2829 O O . ALA B 2 149 ? -5.722 13.489 -5.094 1.00 34.18 ? 151 ALA L O 1 ATOM 2830 C CB . ALA B 2 149 ? -4.914 12.570 -7.884 1.00 36.27 ? 151 ALA L CB 1 ATOM 2831 N N . ASP B 2 150 ? -3.784 12.528 -4.486 1.00 25.84 ? 152 ASP L N 1 ATOM 2832 C CA . ASP B 2 150 ? -3.759 13.237 -3.215 1.00 39.14 ? 152 ASP L CA 1 ATOM 2833 C C . ASP B 2 150 ? -5.061 12.884 -2.506 1.00 37.17 ? 152 ASP L C 1 ATOM 2834 O O . ASP B 2 150 ? -5.289 11.727 -2.152 1.00 35.62 ? 152 ASP L O 1 ATOM 2835 C CB . ASP B 2 150 ? -3.646 14.750 -3.422 1.00 48.13 ? 152 ASP L CB 1 ATOM 2836 C CG . ASP B 2 150 ? -2.216 15.203 -3.654 1.00 65.37 ? 152 ASP L CG 1 ATOM 2837 O OD1 . ASP B 2 150 ? -1.288 14.473 -3.244 1.00 72.95 ? 152 ASP L OD1 1 ATOM 2838 O OD2 . ASP B 2 150 ? -2.020 16.292 -4.238 1.00 63.80 ? 152 ASP L OD2 1 ATOM 2839 N N . SER B 2 151 ? -5.920 13.880 -2.319 1.00 35.53 ? 153 SER L N 1 ATOM 2840 C CA . SER B 2 151 ? -7.177 13.686 -1.604 1.00 37.46 ? 153 SER L CA 1 ATOM 2841 C C . SER B 2 151 ? -8.388 13.711 -2.534 1.00 42.59 ? 153 SER L C 1 ATOM 2842 O O . SER B 2 151 ? -9.492 13.346 -2.132 1.00 51.05 ? 153 SER L O 1 ATOM 2843 C CB . SER B 2 151 ? -7.336 14.749 -0.515 1.00 42.87 ? 153 SER L CB 1 ATOM 2844 O OG . SER B 2 151 ? -7.224 16.054 -1.057 1.00 47.96 ? 153 SER L OG 1 ATOM 2845 N N . SER B 2 152 ? -8.179 14.142 -3.774 1.00 45.20 ? 154 SER L N 1 ATOM 2846 C CA . SER B 2 152 ? -9.276 14.274 -4.731 1.00 47.60 ? 154 SER L CA 1 ATOM 2847 C C . SER B 2 152 ? -9.434 13.029 -5.600 1.00 43.58 ? 154 SER L C 1 ATOM 2848 O O . SER B 2 152 ? -8.446 12.439 -6.038 1.00 33.70 ? 154 SER L O 1 ATOM 2849 C CB . SER B 2 152 ? -9.082 15.513 -5.610 1.00 49.23 ? 154 SER L CB 1 ATOM 2850 O OG . SER B 2 152 ? -7.895 15.415 -6.377 1.00 51.88 ? 154 SER L OG 1 ATOM 2851 N N . PRO B 2 153 ? -10.688 12.630 -5.855 1.00 42.65 ? 155 PRO L N 1 ATOM 2852 C CA . PRO B 2 153 ? -11.002 11.443 -6.657 1.00 39.44 ? 155 PRO L CA 1 ATOM 2853 C C . PRO B 2 153 ? -10.564 11.601 -8.108 1.00 38.82 ? 155 PRO L C 1 ATOM 2854 O O . PRO B 2 153 ? -10.549 12.714 -8.634 1.00 39.44 ? 155 PRO L O 1 ATOM 2855 C CB . PRO B 2 153 ? -12.529 11.357 -6.569 1.00 31.60 ? 155 PRO L CB 1 ATOM 2856 C CG . PRO B 2 153 ? -12.967 12.752 -6.289 1.00 34.61 ? 155 PRO L CG 1 ATOM 2857 C CD . PRO B 2 153 ? -11.904 13.330 -5.406 1.00 36.17 ? 155 PRO L CD 1 ATOM 2858 N N . VAL B 2 154 ? -10.208 10.490 -8.742 1.00 35.01 ? 156 VAL L N 1 ATOM 2859 C CA . VAL B 2 154 ? -9.793 10.501 -10.137 1.00 39.68 ? 156 VAL L CA 1 ATOM 2860 C C . VAL B 2 154 ? -10.690 9.582 -10.951 1.00 46.58 ? 156 VAL L C 1 ATOM 2861 O O . VAL B 2 154 ? -10.869 8.414 -10.605 1.00 52.78 ? 156 VAL L O 1 ATOM 2862 C CB . VAL B 2 154 ? -8.338 10.027 -10.299 1.00 45.24 ? 156 VAL L CB 1 ATOM 2863 C CG1 . VAL B 2 154 ? -7.850 10.297 -11.714 1.00 52.26 ? 156 VAL L CG1 1 ATOM 2864 C CG2 . VAL B 2 154 ? -7.440 10.711 -9.286 1.00 47.28 ? 156 VAL L CG2 1 ATOM 2865 N N . LYS B 2 155 ? -11.256 10.111 -12.029 1.00 46.86 ? 157 LYS L N 1 ATOM 2866 C CA . LYS B 2 155 ? -12.088 9.307 -12.916 1.00 51.34 ? 157 LYS L CA 1 ATOM 2867 C C . LYS B 2 155 ? -11.307 8.925 -14.167 1.00 53.36 ? 157 LYS L C 1 ATOM 2868 O O . LYS B 2 155 ? -11.326 7.771 -14.599 1.00 56.83 ? 157 LYS L O 1 ATOM 2869 C CB . LYS B 2 155 ? -13.357 10.067 -13.309 1.00 53.52 ? 157 LYS L CB 1 ATOM 2870 C CG . LYS B 2 155 ? -14.338 9.241 -14.128 0.00 50.55 ? 157 LYS L CG 1 ATOM 2871 C CD . LYS B 2 155 ? -15.337 10.121 -14.862 0.00 50.08 ? 157 LYS L CD 1 ATOM 2872 C CE . LYS B 2 155 ? -16.140 10.981 -13.902 0.00 48.85 ? 157 LYS L CE 1 ATOM 2873 N NZ . LYS B 2 155 ? -17.114 11.845 -14.626 0.00 50.64 ? 157 LYS L NZ 1 ATOM 2874 N N . ALA B 2 156 ? -10.614 9.904 -14.740 1.00 44.08 ? 158 ALA L N 1 ATOM 2875 C CA . ALA B 2 156 ? -9.866 9.698 -15.972 1.00 35.00 ? 158 ALA L CA 1 ATOM 2876 C C . ALA B 2 156 ? -8.653 8.800 -15.755 1.00 30.67 ? 158 ALA L C 1 ATOM 2877 O O . ALA B 2 156 ? -7.976 8.893 -14.732 1.00 35.77 ? 158 ALA L O 1 ATOM 2878 C CB . ALA B 2 156 ? -9.435 11.037 -16.556 1.00 32.49 ? 158 ALA L CB 1 ATOM 2879 N N . GLY B 2 157 ? -8.390 7.929 -16.725 1.00 33.27 ? 159 GLY L N 1 ATOM 2880 C CA . GLY B 2 157 ? -7.205 7.089 -16.707 1.00 33.14 ? 159 GLY L CA 1 ATOM 2881 C C . GLY B 2 157 ? -7.392 5.756 -16.009 1.00 36.55 ? 159 GLY L C 1 ATOM 2882 O O . GLY B 2 157 ? -6.493 4.913 -16.013 1.00 40.46 ? 159 GLY L O 1 ATOM 2883 N N . VAL B 2 158 ? -8.562 5.560 -15.412 1.00 36.88 ? 160 VAL L N 1 ATOM 2884 C CA . VAL B 2 158 ? -8.827 4.352 -14.640 1.00 30.77 ? 160 VAL L CA 1 ATOM 2885 C C . VAL B 2 158 ? -9.372 3.216 -15.505 1.00 27.12 ? 160 VAL L C 1 ATOM 2886 O O . VAL B 2 158 ? -10.386 3.367 -16.186 1.00 30.35 ? 160 VAL L O 1 ATOM 2887 C CB . VAL B 2 158 ? -9.798 4.632 -13.475 1.00 26.26 ? 160 VAL L CB 1 ATOM 2888 C CG1 . VAL B 2 158 ? -10.073 3.358 -12.688 1.00 20.93 ? 160 VAL L CG1 1 ATOM 2889 C CG2 . VAL B 2 158 ? -9.233 5.717 -12.568 1.00 17.38 ? 160 VAL L CG2 1 ATOM 2890 N N . GLU B 2 159 ? -8.679 2.082 -15.474 1.00 25.27 ? 161 GLU L N 1 ATOM 2891 C CA . GLU B 2 159 ? -9.107 0.883 -16.181 1.00 30.01 ? 161 GLU L CA 1 ATOM 2892 C C . GLU B 2 159 ? -9.178 -0.264 -15.181 1.00 34.50 ? 161 GLU L C 1 ATOM 2893 O O . GLU B 2 159 ? -8.168 -0.636 -14.584 1.00 24.86 ? 161 GLU L O 1 ATOM 2894 C CB . GLU B 2 159 ? -8.111 0.529 -17.286 1.00 45.26 ? 161 GLU L CB 1 ATOM 2895 C CG . GLU B 2 159 ? -7.684 1.699 -18.161 1.00 57.43 ? 161 GLU L CG 1 ATOM 2896 C CD . GLU B 2 159 ? -8.722 2.068 -19.202 1.00 64.32 ? 161 GLU L CD 1 ATOM 2897 O OE1 . GLU B 2 159 ? -9.900 1.684 -19.034 1.00 62.11 ? 161 GLU L OE1 1 ATOM 2898 O OE2 . GLU B 2 159 ? -8.355 2.736 -20.193 1.00 67.04 ? 161 GLU L OE2 1 ATOM 2899 N N . THR B 2 160 ? -10.369 -0.822 -14.994 1.00 37.53 ? 162 THR L N 1 ATOM 2900 C CA . THR B 2 160 ? -10.559 -1.875 -14.003 1.00 31.91 ? 162 THR L CA 1 ATOM 2901 C C . THR B 2 160 ? -11.187 -3.119 -14.613 1.00 26.94 ? 162 THR L C 1 ATOM 2902 O O . THR B 2 160 ? -12.217 -3.043 -15.280 1.00 30.40 ? 162 THR L O 1 ATOM 2903 C CB . THR B 2 160 ? -11.435 -1.398 -12.831 1.00 26.67 ? 162 THR L CB 1 ATOM 2904 O OG1 . THR B 2 160 ? -10.845 -0.238 -12.230 1.00 24.93 ? 162 THR L OG1 1 ATOM 2905 C CG2 . THR B 2 160 ? -11.566 -2.498 -11.787 1.00 19.96 ? 162 THR L CG2 1 ATOM 2906 N N . THR B 2 161 ? -10.560 -4.264 -14.374 1.00 22.48 ? 163 THR L N 1 ATOM 2907 C CA . THR B 2 161 ? -11.063 -5.531 -14.885 1.00 25.78 ? 163 THR L CA 1 ATOM 2908 C C . THR B 2 161 ? -12.273 -6.000 -14.090 1.00 27.68 ? 163 THR L C 1 ATOM 2909 O O . THR B 2 161 ? -12.471 -5.598 -12.943 1.00 21.50 ? 163 THR L O 1 ATOM 2910 C CB . THR B 2 161 ? -9.991 -6.629 -14.805 1.00 18.15 ? 163 THR L CB 1 ATOM 2911 O OG1 . THR B 2 161 ? -9.671 -6.883 -13.432 1.00 18.72 ? 163 THR L OG1 1 ATOM 2912 C CG2 . THR B 2 161 ? -8.735 -6.205 -15.546 1.00 18.26 ? 163 THR L CG2 1 ATOM 2913 N N . THR B 2 162 ? -13.084 -6.849 -14.713 1.00 29.66 ? 164 THR L N 1 ATOM 2914 C CA . THR B 2 162 ? -14.149 -7.544 -14.011 1.00 26.04 ? 164 THR L CA 1 ATOM 2915 C C . THR B 2 162 ? -13.495 -8.558 -13.083 1.00 30.59 ? 164 THR L C 1 ATOM 2916 O O . THR B 2 162 ? -12.407 -9.052 -13.375 1.00 33.64 ? 164 THR L O 1 ATOM 2917 C CB . THR B 2 162 ? -15.066 -8.298 -14.993 1.00 37.31 ? 164 THR L CB 1 ATOM 2918 O OG1 . THR B 2 162 ? -15.512 -7.407 -16.023 1.00 29.01 ? 164 THR L OG1 1 ATOM 2919 C CG2 . THR B 2 162 ? -16.271 -8.882 -14.268 1.00 52.35 ? 164 THR L CG2 1 ATOM 2920 N N . PRO B 2 163 ? -14.145 -8.867 -11.954 1.00 27.76 ? 165 PRO L N 1 ATOM 2921 C CA . PRO B 2 163 ? -13.587 -9.888 -11.061 1.00 21.80 ? 165 PRO L CA 1 ATOM 2922 C C . PRO B 2 163 ? -13.481 -11.233 -11.771 1.00 28.46 ? 165 PRO L C 1 ATOM 2923 O O . PRO B 2 163 ? -14.379 -11.594 -12.531 1.00 36.51 ? 165 PRO L O 1 ATOM 2924 C CB . PRO B 2 163 ? -14.621 -9.969 -9.935 1.00 25.58 ? 165 PRO L CB 1 ATOM 2925 C CG . PRO B 2 163 ? -15.322 -8.650 -9.963 1.00 37.92 ? 165 PRO L CG 1 ATOM 2926 C CD . PRO B 2 163 ? -15.365 -8.251 -11.407 1.00 31.26 ? 165 PRO L CD 1 ATOM 2927 N N . SER B 2 164 ? -12.393 -11.958 -11.531 1.00 25.64 ? 166 SER L N 1 ATOM 2928 C CA . SER B 2 164 ? -12.210 -13.280 -12.118 1.00 30.36 ? 166 SER L CA 1 ATOM 2929 C C . SER B 2 164 ? -11.955 -14.311 -11.028 1.00 29.12 ? 166 SER L C 1 ATOM 2930 O O . SER B 2 164 ? -11.302 -14.019 -10.027 1.00 34.93 ? 166 SER L O 1 ATOM 2931 C CB . SER B 2 164 ? -11.051 -13.278 -13.115 1.00 35.62 ? 166 SER L CB 1 ATOM 2932 O OG . SER B 2 164 ? -9.825 -12.996 -12.464 1.00 43.72 ? 166 SER L OG 1 ATOM 2933 N N . LYS B 2 165 ? -12.466 -15.518 -11.230 1.00 27.45 ? 167 LYS L N 1 ATOM 2934 C CA . LYS B 2 165 ? -12.362 -16.565 -10.224 1.00 23.39 ? 167 LYS L CA 1 ATOM 2935 C C . LYS B 2 165 ? -10.949 -17.129 -10.133 1.00 28.62 ? 167 LYS L C 1 ATOM 2936 O O . LYS B 2 165 ? -10.357 -17.510 -11.142 1.00 33.86 ? 167 LYS L O 1 ATOM 2937 C CB . LYS B 2 165 ? -13.358 -17.686 -10.520 1.00 29.07 ? 167 LYS L CB 1 ATOM 2938 C CG . LYS B 2 165 ? -13.346 -18.799 -9.493 0.00 31.06 ? 167 LYS L CG 1 ATOM 2939 C CD . LYS B 2 165 ? -14.378 -19.863 -9.816 0.00 33.95 ? 167 LYS L CD 1 ATOM 2940 C CE . LYS B 2 165 ? -14.364 -20.958 -8.768 0.00 35.77 ? 167 LYS L CE 1 ATOM 2941 N NZ . LYS B 2 165 ? -15.357 -22.030 -9.049 0.00 38.15 ? 167 LYS L NZ 1 ATOM 2942 N N . GLN B 2 166 ? -10.414 -17.176 -8.916 1.00 29.91 ? 168 GLN L N 1 ATOM 2943 C CA . GLN B 2 166 ? -9.102 -17.764 -8.674 1.00 24.56 ? 168 GLN L CA 1 ATOM 2944 C C . GLN B 2 166 ? -9.228 -19.274 -8.524 1.00 35.11 ? 168 GLN L C 1 ATOM 2945 O O . GLN B 2 166 ? -10.336 -19.806 -8.450 1.00 42.03 ? 168 GLN L O 1 ATOM 2946 C CB . GLN B 2 166 ? -8.467 -17.168 -7.416 1.00 22.45 ? 168 GLN L CB 1 ATOM 2947 C CG . GLN B 2 166 ? -8.257 -15.664 -7.476 1.00 20.63 ? 168 GLN L CG 1 ATOM 2948 C CD . GLN B 2 166 ? -7.663 -15.106 -6.195 1.00 26.44 ? 168 GLN L CD 1 ATOM 2949 O OE1 . GLN B 2 166 ? -7.151 -13.989 -6.172 1.00 29.97 ? 168 GLN L OE1 1 ATOM 2950 N NE2 . GLN B 2 166 ? -7.730 -15.885 -5.121 1.00 31.09 ? 168 GLN L NE2 1 ATOM 2951 N N . SER B 2 167 ? -8.092 -19.962 -8.474 1.00 37.09 ? 169 SER L N 1 ATOM 2952 C CA . SER B 2 167 ? -8.089 -21.415 -8.334 1.00 50.51 ? 169 SER L CA 1 ATOM 2953 C C . SER B 2 167 ? -8.615 -21.846 -6.967 1.00 48.45 ? 169 SER L C 1 ATOM 2954 O O . SER B 2 167 ? -9.118 -22.960 -6.809 1.00 46.71 ? 169 SER L O 1 ATOM 2955 C CB . SER B 2 167 ? -6.685 -21.980 -8.565 1.00 57.90 ? 169 SER L CB 1 ATOM 2956 O OG . SER B 2 167 ? -5.756 -21.426 -7.651 1.00 70.10 ? 169 SER L OG 1 ATOM 2957 N N . ASN B 2 168 ? -8.498 -20.961 -5.981 1.00 43.14 ? 170 ASN L N 1 ATOM 2958 C CA . ASN B 2 168 ? -9.003 -21.245 -4.642 1.00 42.54 ? 170 ASN L CA 1 ATOM 2959 C C . ASN B 2 168 ? -10.414 -20.693 -4.476 1.00 47.60 ? 170 ASN L C 1 ATOM 2960 O O . ASN B 2 168 ? -10.887 -20.485 -3.359 1.00 51.45 ? 170 ASN L O 1 ATOM 2961 C CB . ASN B 2 168 ? -8.116 -20.598 -3.573 1.00 35.79 ? 170 ASN L CB 1 ATOM 2962 C CG . ASN B 2 168 ? -8.294 -19.094 -3.495 1.00 37.12 ? 170 ASN L CG 1 ATOM 2963 O OD1 . ASN B 2 168 ? -8.871 -18.474 -4.390 1.00 25.21 ? 170 ASN L OD1 1 ATOM 2964 N ND2 . ASN B 2 168 ? -7.789 -18.496 -2.422 1.00 36.38 ? 170 ASN L ND2 1 ATOM 2965 N N . ASN B 2 169 ? -11.074 -20.446 -5.602 1.00 43.29 ? 171 ASN L N 1 ATOM 2966 C CA . ASN B 2 169 ? -12.483 -20.066 -5.629 1.00 42.88 ? 171 ASN L CA 1 ATOM 2967 C C . ASN B 2 169 ? -12.768 -18.714 -4.971 1.00 40.09 ? 171 ASN L C 1 ATOM 2968 O O . ASN B 2 169 ? -13.921 -18.379 -4.702 1.00 46.30 ? 171 ASN L O 1 ATOM 2969 C CB . ASN B 2 169 ? -13.359 -21.139 -4.976 1.00 52.21 ? 171 ASN L CB 1 ATOM 2970 C CG . ASN B 2 169 ? -13.318 -22.459 -5.725 1.00 63.62 ? 171 ASN L CG 1 ATOM 2971 O OD1 . ASN B 2 169 ? -13.860 -22.580 -6.824 1.00 69.90 ? 171 ASN L OD1 1 ATOM 2972 N ND2 . ASN B 2 169 ? -12.680 -23.459 -5.128 1.00 63.55 ? 171 ASN L ND2 1 ATOM 2973 N N . LYS B 2 170 ? -11.718 -17.945 -4.708 1.00 31.23 ? 172 LYS L N 1 ATOM 2974 C CA . LYS B 2 170 ? -11.871 -16.536 -4.372 1.00 31.17 ? 172 LYS L CA 1 ATOM 2975 C C . LYS B 2 170 ? -11.679 -15.735 -5.653 1.00 31.59 ? 172 LYS L C 1 ATOM 2976 O O . LYS B 2 170 ? -11.500 -16.316 -6.724 1.00 33.70 ? 172 LYS L O 1 ATOM 2977 C CB . LYS B 2 170 ? -10.875 -16.107 -3.294 1.00 25.24 ? 172 LYS L CB 1 ATOM 2978 C CG . LYS B 2 170 ? -11.114 -16.764 -1.943 1.00 26.17 ? 172 LYS L CG 1 ATOM 2979 C CD . LYS B 2 170 ? -10.245 -16.147 -0.855 1.00 34.13 ? 172 LYS L CD 1 ATOM 2980 C CE . LYS B 2 170 ? -10.499 -16.806 0.495 1.00 41.37 ? 172 LYS L CE 1 ATOM 2981 N NZ . LYS B 2 170 ? -9.719 -16.169 1.595 1.00 40.55 ? 172 LYS L NZ 1 ATOM 2982 N N . TYR B 2 171 ? -11.717 -14.412 -5.557 1.00 28.03 ? 173 TYR L N 1 ATOM 2983 C CA . TYR B 2 171 ? -11.662 -13.588 -6.760 1.00 25.09 ? 173 TYR L CA 1 ATOM 2984 C C . TYR B 2 171 ? -10.451 -12.666 -6.826 1.00 31.01 ? 173 TYR L C 1 ATOM 2985 O O . TYR B 2 171 ? -9.881 -12.284 -5.804 1.00 30.35 ? 173 TYR L O 1 ATOM 2986 C CB . TYR B 2 171 ? -12.961 -12.796 -6.932 1.00 16.78 ? 173 TYR L CB 1 ATOM 2987 C CG . TYR B 2 171 ? -14.140 -13.672 -7.288 1.00 38.25 ? 173 TYR L CG 1 ATOM 2988 C CD1 . TYR B 2 171 ? -14.847 -14.351 -6.304 1.00 35.40 ? 173 TYR L CD1 1 ATOM 2989 C CD2 . TYR B 2 171 ? -14.536 -13.834 -8.609 1.00 38.51 ? 173 TYR L CD2 1 ATOM 2990 C CE1 . TYR B 2 171 ? -15.922 -15.162 -6.625 1.00 33.39 ? 173 TYR L CE1 1 ATOM 2991 C CE2 . TYR B 2 171 ? -15.610 -14.641 -8.940 1.00 37.94 ? 173 TYR L CE2 1 ATOM 2992 C CZ . TYR B 2 171 ? -16.299 -15.302 -7.944 1.00 37.53 ? 173 TYR L CZ 1 ATOM 2993 O OH . TYR B 2 171 ? -17.368 -16.106 -8.269 1.00 41.55 ? 173 TYR L OH 1 ATOM 2994 N N . ALA B 2 172 ? -10.061 -12.329 -8.050 1.00 25.88 ? 174 ALA L N 1 ATOM 2995 C CA . ALA B 2 172 ? -8.967 -11.403 -8.286 1.00 32.96 ? 174 ALA L CA 1 ATOM 2996 C C . ALA B 2 172 ? -9.420 -10.299 -9.230 1.00 30.51 ? 174 ALA L C 1 ATOM 2997 O O . ALA B 2 172 ? -10.371 -10.466 -9.994 1.00 31.16 ? 174 ALA L O 1 ATOM 2998 C CB . ALA B 2 172 ? -7.760 -12.135 -8.857 1.00 17.46 ? 174 ALA L CB 1 ATOM 2999 N N . ALA B 2 173 ? -8.739 -9.164 -9.165 1.00 23.87 ? 175 ALA L N 1 ATOM 3000 C CA . ALA B 2 173 ? -9.021 -8.052 -10.056 1.00 15.85 ? 175 ALA L CA 1 ATOM 3001 C C . ALA B 2 173 ? -7.860 -7.083 -10.000 1.00 18.24 ? 175 ALA L C 1 ATOM 3002 O O . ALA B 2 173 ? -7.087 -7.079 -9.041 1.00 17.40 ? 175 ALA L O 1 ATOM 3003 C CB . ALA B 2 173 ? -10.312 -7.361 -9.659 1.00 22.82 ? 175 ALA L CB 1 ATOM 3004 N N . SER B 2 174 ? -7.733 -6.267 -11.038 1.00 14.52 ? 176 SER L N 1 ATOM 3005 C CA . SER B 2 174 ? -6.675 -5.275 -11.091 1.00 21.63 ? 176 SER L CA 1 ATOM 3006 C C . SER B 2 174 ? -7.200 -3.970 -11.668 1.00 27.15 ? 176 SER L C 1 ATOM 3007 O O . SER B 2 174 ? -7.987 -3.968 -12.614 1.00 28.60 ? 176 SER L O 1 ATOM 3008 C CB . SER B 2 174 ? -5.492 -5.791 -11.913 1.00 24.54 ? 176 SER L CB 1 ATOM 3009 O OG . SER B 2 174 ? -5.903 -6.190 -13.208 1.00 33.89 ? 176 SER L OG 1 ATOM 3010 N N . SER B 2 175 ? -6.771 -2.861 -11.079 1.00 27.64 ? 177 SER L N 1 ATOM 3011 C CA . SER B 2 175 ? -7.127 -1.547 -11.583 1.00 32.37 ? 177 SER L CA 1 ATOM 3012 C C . SER B 2 175 ? -5.859 -0.793 -11.958 1.00 29.05 ? 177 SER L C 1 ATOM 3013 O O . SER B 2 175 ? -4.872 -0.818 -11.224 1.00 24.43 ? 177 SER L O 1 ATOM 3014 C CB . SER B 2 175 ? -7.926 -0.765 -10.539 1.00 34.49 ? 177 SER L CB 1 ATOM 3015 O OG . SER B 2 175 ? -8.488 0.409 -11.101 1.00 21.80 ? 177 SER L OG 1 ATOM 3016 N N . TYR B 2 176 ? -5.888 -0.136 -13.111 1.00 27.82 ? 178 TYR L N 1 ATOM 3017 C CA . TYR B 2 176 ? -4.738 0.623 -13.582 1.00 30.98 ? 178 TYR L CA 1 ATOM 3018 C C . TYR B 2 176 ? -5.075 2.098 -13.703 1.00 36.19 ? 178 TYR L C 1 ATOM 3019 O O . TYR B 2 176 ? -6.152 2.463 -14.170 1.00 35.95 ? 178 TYR L O 1 ATOM 3020 C CB . TYR B 2 176 ? -4.264 0.100 -14.938 1.00 24.34 ? 178 TYR L CB 1 ATOM 3021 C CG . TYR B 2 176 ? -3.751 -1.318 -14.908 1.00 21.68 ? 178 TYR L CG 1 ATOM 3022 C CD1 . TYR B 2 176 ? -4.619 -2.393 -15.033 1.00 26.20 ? 178 TYR L CD1 1 ATOM 3023 C CD2 . TYR B 2 176 ? -2.397 -1.583 -14.760 1.00 20.62 ? 178 TYR L CD2 1 ATOM 3024 C CE1 . TYR B 2 176 ? -4.154 -3.693 -15.007 1.00 25.67 ? 178 TYR L CE1 1 ATOM 3025 C CE2 . TYR B 2 176 ? -1.921 -2.879 -14.735 1.00 27.60 ? 178 TYR L CE2 1 ATOM 3026 C CZ . TYR B 2 176 ? -2.804 -3.931 -14.859 1.00 26.57 ? 178 TYR L CZ 1 ATOM 3027 O OH . TYR B 2 176 ? -2.336 -5.225 -14.835 1.00 28.01 ? 178 TYR L OH 1 ATOM 3028 N N . LEU B 2 177 ? -4.146 2.944 -13.276 1.00 36.37 ? 179 LEU L N 1 ATOM 3029 C CA . LEU B 2 177 ? -4.285 4.377 -13.472 1.00 27.16 ? 179 LEU L CA 1 ATOM 3030 C C . LEU B 2 177 ? -3.201 4.878 -14.419 1.00 31.51 ? 179 LEU L C 1 ATOM 3031 O O . LEU B 2 177 ? -2.046 5.049 -14.022 1.00 21.80 ? 179 LEU L O 1 ATOM 3032 C CB . LEU B 2 177 ? -4.221 5.122 -12.137 1.00 23.81 ? 179 LEU L CB 1 ATOM 3033 C CG . LEU B 2 177 ? -4.324 6.644 -12.251 1.00 26.48 ? 179 LEU L CG 1 ATOM 3034 C CD1 . LEU B 2 177 ? -5.523 7.024 -13.103 1.00 24.34 ? 179 LEU L CD1 1 ATOM 3035 C CD2 . LEU B 2 177 ? -4.414 7.285 -10.875 1.00 26.87 ? 179 LEU L CD2 1 ATOM 3036 N N . SER B 2 178 ? -3.577 5.088 -15.677 1.00 34.38 ? 180 SER L N 1 ATOM 3037 C CA . SER B 2 178 ? -2.673 5.684 -16.652 1.00 35.01 ? 180 SER L CA 1 ATOM 3038 C C . SER B 2 178 ? -2.415 7.128 -16.252 1.00 34.75 ? 180 SER L C 1 ATOM 3039 O O . SER B 2 178 ? -3.347 7.872 -15.955 1.00 36.28 ? 180 SER L O 1 ATOM 3040 C CB . SER B 2 178 ? -3.265 5.615 -18.060 1.00 43.57 ? 180 SER L CB 1 ATOM 3041 O OG . SER B 2 178 ? -3.339 4.274 -18.515 1.00 59.42 ? 180 SER L OG 1 ATOM 3042 N N . LEU B 2 179 ? -1.147 7.518 -16.243 1.00 34.83 ? 181 LEU L N 1 ATOM 3043 C CA . LEU B 2 179 ? -0.755 8.797 -15.674 1.00 33.99 ? 181 LEU L CA 1 ATOM 3044 C C . LEU B 2 179 ? 0.464 9.362 -16.397 1.00 36.68 ? 181 LEU L C 1 ATOM 3045 O O . LEU B 2 179 ? 1.348 8.611 -16.809 1.00 40.04 ? 181 LEU L O 1 ATOM 3046 C CB . LEU B 2 179 ? -0.431 8.601 -14.192 1.00 34.34 ? 181 LEU L CB 1 ATOM 3047 C CG . LEU B 2 179 ? -0.580 9.780 -13.234 1.00 34.19 ? 181 LEU L CG 1 ATOM 3048 C CD1 . LEU B 2 179 ? -2.024 10.240 -13.187 1.00 40.09 ? 181 LEU L CD1 1 ATOM 3049 C CD2 . LEU B 2 179 ? -0.104 9.384 -11.851 1.00 20.11 ? 181 LEU L CD2 1 ATOM 3050 N N . THR B 2 180 ? 0.509 10.681 -16.557 1.00 30.58 ? 182 THR L N 1 ATOM 3051 C CA . THR B 2 180 ? 1.703 11.332 -17.084 1.00 30.47 ? 182 THR L CA 1 ATOM 3052 C C . THR B 2 180 ? 2.724 11.471 -15.962 1.00 30.25 ? 182 THR L C 1 ATOM 3053 O O . THR B 2 180 ? 2.352 11.673 -14.805 1.00 32.82 ? 182 THR L O 1 ATOM 3054 C CB . THR B 2 180 ? 1.404 12.730 -17.665 1.00 30.55 ? 182 THR L CB 1 ATOM 3055 O OG1 . THR B 2 180 ? 0.971 13.608 -16.618 1.00 33.35 ? 182 THR L OG1 1 ATOM 3056 C CG2 . THR B 2 180 ? 0.329 12.650 -18.742 1.00 28.28 ? 182 THR L CG2 1 ATOM 3057 N N . PRO B 2 181 ? 4.017 11.356 -16.299 1.00 31.42 ? 183 PRO L N 1 ATOM 3058 C CA . PRO B 2 181 ? 5.074 11.492 -15.293 1.00 30.18 ? 183 PRO L CA 1 ATOM 3059 C C . PRO B 2 181 ? 4.922 12.788 -14.503 1.00 36.41 ? 183 PRO L C 1 ATOM 3060 O O . PRO B 2 181 ? 5.217 12.815 -13.307 1.00 34.51 ? 183 PRO L O 1 ATOM 3061 C CB . PRO B 2 181 ? 6.350 11.528 -16.136 1.00 28.58 ? 183 PRO L CB 1 ATOM 3062 C CG . PRO B 2 181 ? 6.005 10.759 -17.362 1.00 36.93 ? 183 PRO L CG 1 ATOM 3063 C CD . PRO B 2 181 ? 4.562 11.075 -17.639 1.00 37.53 ? 183 PRO L CD 1 ATOM 3064 N N . GLU B 2 182 ? 4.461 13.845 -15.167 1.00 34.47 ? 184 GLU L N 1 ATOM 3065 C CA . GLU B 2 182 ? 4.271 15.135 -14.511 1.00 42.05 ? 184 GLU L CA 1 ATOM 3066 C C . GLU B 2 182 ? 3.202 15.043 -13.428 1.00 39.07 ? 184 GLU L C 1 ATOM 3067 O O . GLU B 2 182 ? 3.406 15.505 -12.305 1.00 31.15 ? 184 GLU L O 1 ATOM 3068 C CB . GLU B 2 182 ? 3.900 16.215 -15.530 1.00 42.31 ? 184 GLU L CB 1 ATOM 3069 C CG . GLU B 2 182 ? 3.761 17.608 -14.936 0.00 42.57 ? 184 GLU L CG 1 ATOM 3070 C CD . GLU B 2 182 ? 5.068 18.135 -14.377 0.00 43.02 ? 184 GLU L CD 1 ATOM 3071 O OE1 . GLU B 2 182 ? 6.120 17.512 -14.631 0.00 42.82 ? 184 GLU L OE1 1 ATOM 3072 O OE2 . GLU B 2 182 ? 5.043 19.173 -13.682 0.00 44.00 ? 184 GLU L OE2 1 ATOM 3073 N N . GLN B 2 183 ? 2.063 14.448 -13.774 1.00 32.75 ? 185 GLN L N 1 ATOM 3074 C CA . GLN B 2 183 ? 0.990 14.223 -12.810 1.00 33.59 ? 185 GLN L CA 1 ATOM 3075 C C . GLN B 2 183 ? 1.494 13.389 -11.639 1.00 33.41 ? 185 GLN L C 1 ATOM 3076 O O . GLN B 2 183 ? 1.123 13.622 -10.488 1.00 28.07 ? 185 GLN L O 1 ATOM 3077 C CB . GLN B 2 183 ? -0.194 13.516 -13.475 1.00 31.30 ? 185 GLN L CB 1 ATOM 3078 C CG . GLN B 2 183 ? -1.014 14.394 -14.408 1.00 35.31 ? 185 GLN L CG 1 ATOM 3079 C CD . GLN B 2 183 ? -2.120 13.624 -15.107 1.00 40.38 ? 185 GLN L CD 1 ATOM 3080 O OE1 . GLN B 2 183 ? -1.896 12.534 -15.636 1.00 42.87 ? 185 GLN L OE1 1 ATOM 3081 N NE2 . GLN B 2 183 ? -3.323 14.185 -15.108 1.00 39.18 ? 185 GLN L NE2 1 ATOM 3082 N N . TRP B 2 184 ? 2.345 12.415 -11.943 1.00 38.59 ? 186 TRP L N 1 ATOM 3083 C CA . TRP B 2 184 ? 2.882 11.517 -10.927 1.00 34.04 ? 186 TRP L CA 1 ATOM 3084 C C . TRP B 2 184 ? 3.785 12.245 -9.938 1.00 33.35 ? 186 TRP L C 1 ATOM 3085 O O . TRP B 2 184 ? 3.682 12.043 -8.729 1.00 33.86 ? 186 TRP L O 1 ATOM 3086 C CB . TRP B 2 184 ? 3.633 10.353 -11.583 1.00 36.46 ? 186 TRP L CB 1 ATOM 3087 C CG . TRP B 2 184 ? 4.528 9.601 -10.645 1.00 33.99 ? 186 TRP L CG 1 ATOM 3088 C CD1 . TRP B 2 184 ? 5.881 9.446 -10.749 1.00 36.56 ? 186 TRP L CD1 1 ATOM 3089 C CD2 . TRP B 2 184 ? 4.137 8.909 -9.452 1.00 28.40 ? 186 TRP L CD2 1 ATOM 3090 N NE1 . TRP B 2 184 ? 6.355 8.696 -9.699 1.00 24.51 ? 186 TRP L NE1 1 ATOM 3091 C CE2 . TRP B 2 184 ? 5.304 8.355 -8.888 1.00 28.69 ? 186 TRP L CE2 1 ATOM 3092 C CE3 . TRP B 2 184 ? 2.913 8.703 -8.808 1.00 25.08 ? 186 TRP L CE3 1 ATOM 3093 C CZ2 . TRP B 2 184 ? 5.283 7.607 -7.712 1.00 31.00 ? 186 TRP L CZ2 1 ATOM 3094 C CZ3 . TRP B 2 184 ? 2.894 7.959 -7.640 1.00 28.15 ? 186 TRP L CZ3 1 ATOM 3095 C CH2 . TRP B 2 184 ? 4.071 7.421 -7.104 1.00 28.75 ? 186 TRP L CH2 1 ATOM 3096 N N . LYS B 2 185 ? 4.668 13.093 -10.455 1.00 38.68 ? 187 LYS L N 1 ATOM 3097 C CA . LYS B 2 185 ? 5.613 13.814 -9.611 1.00 40.88 ? 187 LYS L CA 1 ATOM 3098 C C . LYS B 2 185 ? 4.943 14.944 -8.837 1.00 43.22 ? 187 LYS L C 1 ATOM 3099 O O . LYS B 2 185 ? 5.223 15.147 -7.657 1.00 47.66 ? 187 LYS L O 1 ATOM 3100 C CB . LYS B 2 185 ? 6.768 14.367 -10.449 1.00 29.47 ? 187 LYS L CB 1 ATOM 3101 C CG . LYS B 2 185 ? 7.548 13.305 -11.206 0.00 32.32 ? 187 LYS L CG 1 ATOM 3102 C CD . LYS B 2 185 ? 8.145 12.280 -10.256 0.00 32.31 ? 187 LYS L CD 1 ATOM 3103 C CE . LYS B 2 185 ? 9.086 12.936 -9.259 0.00 34.48 ? 187 LYS L CE 1 ATOM 3104 N NZ . LYS B 2 185 ? 9.686 11.942 -8.328 0.00 35.04 ? 187 LYS L NZ 1 ATOM 3105 N N . SER B 2 186 ? 4.055 15.673 -9.506 1.00 44.58 ? 188 SER L N 1 ATOM 3106 C CA . SER B 2 186 ? 3.424 16.851 -8.917 1.00 43.23 ? 188 SER L CA 1 ATOM 3107 C C . SER B 2 186 ? 2.596 16.538 -7.671 1.00 41.22 ? 188 SER L C 1 ATOM 3108 O O . SER B 2 186 ? 2.610 17.298 -6.704 1.00 49.50 ? 188 SER L O 1 ATOM 3109 C CB . SER B 2 186 ? 2.555 17.569 -9.953 1.00 30.41 ? 188 SER L CB 1 ATOM 3110 O OG . SER B 2 186 ? 1.475 16.749 -10.362 1.00 33.78 ? 188 SER L OG 1 ATOM 3111 N N . HIS B 2 187 ? 1.871 15.425 -7.695 1.00 30.80 ? 189 HIS L N 1 ATOM 3112 C CA . HIS B 2 187 ? 1.022 15.054 -6.566 1.00 34.63 ? 189 HIS L CA 1 ATOM 3113 C C . HIS B 2 187 ? 1.818 14.441 -5.416 1.00 43.01 ? 189 HIS L C 1 ATOM 3114 O O . HIS B 2 187 ? 2.783 13.708 -5.635 1.00 54.73 ? 189 HIS L O 1 ATOM 3115 C CB . HIS B 2 187 ? -0.087 14.099 -7.009 1.00 35.37 ? 189 HIS L CB 1 ATOM 3116 C CG . HIS B 2 187 ? -1.185 14.764 -7.780 1.00 37.68 ? 189 HIS L CG 1 ATOM 3117 N ND1 . HIS B 2 187 ? -1.119 14.976 -9.139 1.00 35.37 ? 189 HIS L ND1 1 ATOM 3118 C CD2 . HIS B 2 187 ? -2.378 15.263 -7.378 1.00 38.79 ? 189 HIS L CD2 1 ATOM 3119 C CE1 . HIS B 2 187 ? -2.225 15.577 -9.543 1.00 34.85 ? 189 HIS L CE1 1 ATOM 3120 N NE2 . HIS B 2 187 ? -3.004 15.763 -8.494 1.00 37.79 ? 189 HIS L NE2 1 ATOM 3121 N N . ARG B 2 188 ? 1.403 14.747 -4.191 1.00 36.34 ? 190 ARG L N 1 ATOM 3122 C CA . ARG B 2 188 ? 2.065 14.224 -3.001 1.00 46.33 ? 190 ARG L CA 1 ATOM 3123 C C . ARG B 2 188 ? 1.975 12.702 -2.948 1.00 51.48 ? 190 ARG L C 1 ATOM 3124 O O . ARG B 2 188 ? 2.868 12.037 -2.425 1.00 56.47 ? 190 ARG L O 1 ATOM 3125 C CB . ARG B 2 188 ? 1.443 14.815 -1.735 1.00 42.59 ? 190 ARG L CB 1 ATOM 3126 C CG . ARG B 2 188 ? 1.313 16.327 -1.742 1.00 44.29 ? 190 ARG L CG 1 ATOM 3127 C CD . ARG B 2 188 ? 0.549 16.806 -0.518 1.00 49.72 ? 190 ARG L CD 1 ATOM 3128 N NE . ARG B 2 188 ? 0.034 18.161 -0.688 1.00 62.21 ? 190 ARG L NE 1 ATOM 3129 C CZ . ARG B 2 188 ? 0.599 19.248 -0.175 1.00 76.76 ? 190 ARG L CZ 1 ATOM 3130 N NH1 . ARG B 2 188 ? 1.704 19.147 0.553 1.00 77.82 ? 190 ARG L NH1 1 ATOM 3131 N NH2 . ARG B 2 188 ? 0.055 20.439 -0.385 1.00 87.75 ? 190 ARG L NH2 1 ATOM 3132 N N . SER B 2 189 ? 0.888 12.157 -3.488 1.00 40.47 ? 191 SER L N 1 ATOM 3133 C CA . SER B 2 189 ? 0.676 10.717 -3.472 1.00 30.00 ? 191 SER L CA 1 ATOM 3134 C C . SER B 2 189 ? -0.585 10.306 -4.218 1.00 34.17 ? 191 SER L C 1 ATOM 3135 O O . SER B 2 189 ? -1.427 11.138 -4.554 1.00 35.66 ? 191 SER L O 1 ATOM 3136 C CB . SER B 2 189 ? 0.523 10.221 -2.035 1.00 32.41 ? 191 SER L CB 1 ATOM 3137 O OG . SER B 2 189 ? -0.650 10.753 -1.447 1.00 40.51 ? 191 SER L OG 1 ATOM 3138 N N . TYR B 2 190 ? -0.703 9.007 -4.472 1.00 35.40 ? 192 TYR L N 1 ATOM 3139 C CA . TYR B 2 190 ? -1.886 8.444 -5.107 1.00 35.57 ? 192 TYR L CA 1 ATOM 3140 C C . TYR B 2 190 ? -2.385 7.270 -4.276 1.00 31.31 ? 192 TYR L C 1 ATOM 3141 O O . TYR B 2 190 ? -1.593 6.550 -3.671 1.00 33.31 ? 192 TYR L O 1 ATOM 3142 C CB . TYR B 2 190 ? -1.570 7.996 -6.535 1.00 27.54 ? 192 TYR L CB 1 ATOM 3143 C CG . TYR B 2 190 ? -1.659 9.107 -7.559 1.00 26.67 ? 192 TYR L CG 1 ATOM 3144 C CD1 . TYR B 2 190 ? -0.611 9.999 -7.742 1.00 28.95 ? 192 TYR L CD1 1 ATOM 3145 C CD2 . TYR B 2 190 ? -2.791 9.258 -8.347 1.00 27.34 ? 192 TYR L CD2 1 ATOM 3146 C CE1 . TYR B 2 190 ? -0.690 11.014 -8.678 1.00 20.99 ? 192 TYR L CE1 1 ATOM 3147 C CE2 . TYR B 2 190 ? -2.879 10.267 -9.287 1.00 35.00 ? 192 TYR L CE2 1 ATOM 3148 C CZ . TYR B 2 190 ? -1.827 11.143 -9.448 1.00 39.56 ? 192 TYR L CZ 1 ATOM 3149 O OH . TYR B 2 190 ? -1.917 12.150 -10.382 1.00 34.75 ? 192 TYR L OH 1 ATOM 3150 N N . SER B 2 191 ? -3.699 7.083 -4.233 1.00 26.83 ? 193 SER L N 1 ATOM 3151 C CA . SER B 2 191 ? -4.270 6.003 -3.438 1.00 34.52 ? 193 SER L CA 1 ATOM 3152 C C . SER B 2 191 ? -5.218 5.119 -4.240 1.00 39.58 ? 193 SER L C 1 ATOM 3153 O O . SER B 2 191 ? -5.991 5.600 -5.070 1.00 40.07 ? 193 SER L O 1 ATOM 3154 C CB . SER B 2 191 ? -4.984 6.555 -2.203 1.00 18.78 ? 193 SER L CB 1 ATOM 3155 O OG . SER B 2 191 ? -4.069 7.183 -1.323 1.00 30.22 ? 193 SER L OG 1 ATOM 3156 N N . CYS B 2 192 ? -5.137 3.819 -3.986 1.00 30.29 ? 194 CYS L N 1 ATOM 3157 C CA . CYS B 2 192 ? -6.082 2.867 -4.542 1.00 26.67 ? 194 CYS L CA 1 ATOM 3158 C C . CYS B 2 192 ? -7.025 2.424 -3.433 1.00 29.73 ? 194 CYS L C 1 ATOM 3159 O O . CYS B 2 192 ? -6.590 1.875 -2.421 1.00 29.97 ? 194 CYS L O 1 ATOM 3160 C CB . CYS B 2 192 ? -5.350 1.661 -5.129 1.00 24.82 ? 194 CYS L CB 1 ATOM 3161 S SG . CYS B 2 192 ? -6.443 0.444 -5.890 1.00 37.94 ? 194 CYS L SG 1 ATOM 3162 N N . GLN B 2 193 ? -8.315 2.676 -3.622 1.00 22.55 ? 195 GLN L N 1 ATOM 3163 C CA . GLN B 2 193 ? -9.306 2.358 -2.604 1.00 16.61 ? 195 GLN L CA 1 ATOM 3164 C C . GLN B 2 193 ? -10.244 1.252 -3.071 1.00 19.81 ? 195 GLN L C 1 ATOM 3165 O O . GLN B 2 193 ? -11.035 1.434 -3.996 1.00 29.55 ? 195 GLN L O 1 ATOM 3166 C CB . GLN B 2 193 ? -10.087 3.612 -2.205 1.00 22.17 ? 195 GLN L CB 1 ATOM 3167 C CG . GLN B 2 193 ? -9.201 4.724 -1.664 1.00 30.98 ? 195 GLN L CG 1 ATOM 3168 C CD . GLN B 2 193 ? -9.991 5.860 -1.047 1.00 38.38 ? 195 GLN L CD 1 ATOM 3169 O OE1 . GLN B 2 193 ? -10.976 6.332 -1.616 1.00 44.96 ? 195 GLN L OE1 1 ATOM 3170 N NE2 . GLN B 2 193 ? -9.565 6.301 0.132 1.00 32.07 ? 195 GLN L NE2 1 ATOM 3171 N N . VAL B 2 194 ? -10.139 0.100 -2.422 1.00 18.29 ? 196 VAL L N 1 ATOM 3172 C CA . VAL B 2 194 ? -10.922 -1.065 -2.795 1.00 20.50 ? 196 VAL L CA 1 ATOM 3173 C C . VAL B 2 194 ? -12.035 -1.301 -1.787 1.00 22.40 ? 196 VAL L C 1 ATOM 3174 O O . VAL B 2 194 ? -11.775 -1.615 -0.627 1.00 22.77 ? 196 VAL L O 1 ATOM 3175 C CB . VAL B 2 194 ? -10.036 -2.318 -2.871 1.00 24.89 ? 196 VAL L CB 1 ATOM 3176 C CG1 . VAL B 2 194 ? -10.834 -3.506 -3.382 1.00 18.49 ? 196 VAL L CG1 1 ATOM 3177 C CG2 . VAL B 2 194 ? -8.834 -2.049 -3.763 1.00 25.08 ? 196 VAL L CG2 1 ATOM 3178 N N . THR B 2 195 ? -13.275 -1.142 -2.235 1.00 20.31 ? 197 THR L N 1 ATOM 3179 C CA . THR B 2 195 ? -14.428 -1.365 -1.373 1.00 16.26 ? 197 THR L CA 1 ATOM 3180 C C . THR B 2 195 ? -15.060 -2.726 -1.655 1.00 22.17 ? 197 THR L C 1 ATOM 3181 O O . THR B 2 195 ? -15.264 -3.103 -2.809 1.00 19.61 ? 197 THR L O 1 ATOM 3182 C CB . THR B 2 195 ? -15.476 -0.259 -1.545 1.00 20.43 ? 197 THR L CB 1 ATOM 3183 O OG1 . THR B 2 195 ? -14.906 0.998 -1.160 1.00 23.71 ? 197 THR L OG1 1 ATOM 3184 C CG2 . THR B 2 195 ? -16.697 -0.544 -0.684 1.00 18.58 ? 197 THR L CG2 1 ATOM 3185 N N . HIS B 2 196 ? -15.359 -3.458 -0.588 1.00 19.77 ? 198 HIS L N 1 ATOM 3186 C CA . HIS B 2 196 ? -15.895 -4.807 -0.701 1.00 16.63 ? 198 HIS L CA 1 ATOM 3187 C C . HIS B 2 196 ? -16.865 -5.061 0.441 1.00 20.95 ? 198 HIS L C 1 ATOM 3188 O O . HIS B 2 196 ? -16.485 -5.014 1.611 1.00 19.37 ? 198 HIS L O 1 ATOM 3189 C CB . HIS B 2 196 ? -14.757 -5.832 -0.670 1.00 26.45 ? 198 HIS L CB 1 ATOM 3190 C CG . HIS B 2 196 ? -15.209 -7.253 -0.823 1.00 27.27 ? 198 HIS L CG 1 ATOM 3191 N ND1 . HIS B 2 196 ? -15.378 -8.098 0.251 1.00 27.01 ? 198 HIS L ND1 1 ATOM 3192 C CD2 . HIS B 2 196 ? -15.513 -7.978 -1.927 1.00 23.92 ? 198 HIS L CD2 1 ATOM 3193 C CE1 . HIS B 2 196 ? -15.774 -9.284 -0.183 1.00 28.62 ? 198 HIS L CE1 1 ATOM 3194 N NE2 . HIS B 2 196 ? -15.863 -9.237 -1.499 1.00 20.10 ? 198 HIS L NE2 1 ATOM 3195 N N . GLU B 2 197 ? -18.121 -5.316 0.090 1.00 27.74 ? 199 GLU L N 1 ATOM 3196 C CA . GLU B 2 197 ? -19.163 -5.586 1.073 1.00 27.99 ? 199 GLU L CA 1 ATOM 3197 C C . GLU B 2 197 ? -19.161 -4.567 2.207 1.00 27.30 ? 199 GLU L C 1 ATOM 3198 O O . GLU B 2 197 ? -19.245 -4.929 3.381 1.00 24.31 ? 199 GLU L O 1 ATOM 3199 C CB . GLU B 2 197 ? -19.027 -7.007 1.629 1.00 31.69 ? 199 GLU L CB 1 ATOM 3200 C CG . GLU B 2 197 ? -19.213 -8.094 0.583 1.00 26.99 ? 199 GLU L CG 1 ATOM 3201 C CD . GLU B 2 197 ? -20.549 -7.990 -0.127 1.00 23.46 ? 199 GLU L CD 1 ATOM 3202 O OE1 . GLU B 2 197 ? -21.504 -7.461 0.478 1.00 24.27 ? 199 GLU L OE1 1 ATOM 3203 O OE2 . GLU B 2 197 ? -20.642 -8.429 -1.292 1.00 28.24 ? 199 GLU L OE2 1 ATOM 3204 N N . GLY B 2 198 ? -19.058 -3.292 1.845 1.00 29.45 ? 200 GLY L N 1 ATOM 3205 C CA . GLY B 2 198 ? -19.202 -2.212 2.802 1.00 33.51 ? 200 GLY L CA 1 ATOM 3206 C C . GLY B 2 198 ? -17.914 -1.755 3.453 1.00 39.22 ? 200 GLY L C 1 ATOM 3207 O O . GLY B 2 198 ? -17.885 -0.721 4.117 1.00 51.52 ? 200 GLY L O 1 ATOM 3208 N N . SER B 2 199 ? -16.845 -2.521 3.269 1.00 32.09 ? 201 SER L N 1 ATOM 3209 C CA . SER B 2 199 ? -15.558 -2.163 3.851 1.00 29.75 ? 201 SER L CA 1 ATOM 3210 C C . SER B 2 199 ? -14.524 -1.847 2.775 1.00 32.67 ? 201 SER L C 1 ATOM 3211 O O . SER B 2 199 ? -14.398 -2.569 1.786 1.00 36.00 ? 201 SER L O 1 ATOM 3212 C CB . SER B 2 199 ? -15.056 -3.276 4.768 1.00 26.30 ? 201 SER L CB 1 ATOM 3213 O OG . SER B 2 199 ? -15.961 -3.493 5.835 1.00 35.00 ? 201 SER L OG 1 ATOM 3214 N N . THR B 2 200 ? -13.785 -0.763 2.974 1.00 36.73 ? 202 THR L N 1 ATOM 3215 C CA . THR B 2 200 ? -12.800 -0.327 1.994 1.00 34.74 ? 202 THR L CA 1 ATOM 3216 C C . THR B 2 200 ? -11.373 -0.511 2.498 1.00 23.46 ? 202 THR L C 1 ATOM 3217 O O . THR B 2 200 ? -11.062 -0.195 3.647 1.00 25.30 ? 202 THR L O 1 ATOM 3218 C CB . THR B 2 200 ? -13.024 1.144 1.587 1.00 37.22 ? 202 THR L CB 1 ATOM 3219 O OG1 . THR B 2 200 ? -14.396 1.338 1.217 1.00 43.26 ? 202 THR L OG1 1 ATOM 3220 C CG2 . THR B 2 200 ? -12.136 1.511 0.413 1.00 38.43 ? 202 THR L CG2 1 ATOM 3221 N N . VAL B 2 201 ? -10.518 -1.036 1.625 1.00 22.26 ? 203 VAL L N 1 ATOM 3222 C CA . VAL B 2 201 ? -9.099 -1.211 1.918 1.00 24.95 ? 203 VAL L CA 1 ATOM 3223 C C . VAL B 2 201 ? -8.270 -0.252 1.071 1.00 28.33 ? 203 VAL L C 1 ATOM 3224 O O . VAL B 2 201 ? -8.434 -0.192 -0.146 1.00 30.44 ? 203 VAL L O 1 ATOM 3225 C CB . VAL B 2 201 ? -8.648 -2.652 1.633 1.00 22.21 ? 203 VAL L CB 1 ATOM 3226 C CG1 . VAL B 2 201 ? -7.139 -2.769 1.740 1.00 28.46 ? 203 VAL L CG1 1 ATOM 3227 C CG2 . VAL B 2 201 ? -9.327 -3.606 2.591 1.00 21.26 ? 203 VAL L CG2 1 ATOM 3228 N N . GLU B 2 202 ? -7.376 0.495 1.711 1.00 30.59 ? 204 GLU L N 1 ATOM 3229 C CA . GLU B 2 202 ? -6.641 1.546 1.014 1.00 30.31 ? 204 GLU L CA 1 ATOM 3230 C C . GLU B 2 202 ? -5.133 1.313 0.972 1.00 31.22 ? 204 GLU L C 1 ATOM 3231 O O . GLU B 2 202 ? -4.531 0.892 1.959 1.00 36.70 ? 204 GLU L O 1 ATOM 3232 C CB . GLU B 2 202 ? -6.926 2.904 1.656 1.00 30.53 ? 204 GLU L CB 1 ATOM 3233 C CG . GLU B 2 202 ? -6.466 4.087 0.823 1.00 48.93 ? 204 GLU L CG 1 ATOM 3234 C CD . GLU B 2 202 ? -6.314 5.351 1.642 1.00 61.32 ? 204 GLU L CD 1 ATOM 3235 O OE1 . GLU B 2 202 ? -6.926 6.376 1.276 1.00 61.07 ? 204 GLU L OE1 1 ATOM 3236 O OE2 . GLU B 2 202 ? -5.574 5.320 2.650 1.00 71.28 ? 204 GLU L OE2 1 ATOM 3237 N N . LYS B 2 203 ? -4.533 1.599 -0.181 1.00 28.77 ? 205 LYS L N 1 ATOM 3238 C CA . LYS B 2 203 ? -3.082 1.574 -0.337 1.00 30.65 ? 205 LYS L CA 1 ATOM 3239 C C . LYS B 2 203 ? -2.596 2.865 -0.994 1.00 30.97 ? 205 LYS L C 1 ATOM 3240 O O . LYS B 2 203 ? -3.240 3.389 -1.903 1.00 27.72 ? 205 LYS L O 1 ATOM 3241 C CB . LYS B 2 203 ? -2.642 0.363 -1.163 1.00 29.08 ? 205 LYS L CB 1 ATOM 3242 C CG . LYS B 2 203 ? -2.672 -0.955 -0.406 1.00 32.45 ? 205 LYS L CG 1 ATOM 3243 C CD . LYS B 2 203 ? -1.753 -0.906 0.802 1.00 31.42 ? 205 LYS L CD 1 ATOM 3244 C CE . LYS B 2 203 ? -1.507 -2.293 1.371 1.00 32.76 ? 205 LYS L CE 1 ATOM 3245 N NZ . LYS B 2 203 ? -2.767 -2.942 1.819 1.00 39.35 ? 205 LYS L NZ 1 ATOM 3246 N N . THR B 2 204 ? -1.456 3.370 -0.535 1.00 29.36 ? 206 THR L N 1 ATOM 3247 C CA . THR B 2 204 ? -0.927 4.635 -1.030 1.00 21.46 ? 206 THR L CA 1 ATOM 3248 C C . THR B 2 204 ? 0.553 4.544 -1.390 1.00 24.25 ? 206 THR L C 1 ATOM 3249 O O . THR B 2 204 ? 1.341 3.921 -0.679 1.00 23.81 ? 206 THR L O 1 ATOM 3250 C CB . THR B 2 204 ? -1.124 5.758 0.006 1.00 29.04 ? 206 THR L CB 1 ATOM 3251 O OG1 . THR B 2 204 ? -2.518 5.894 0.305 1.00 38.02 ? 206 THR L OG1 1 ATOM 3252 C CG2 . THR B 2 204 ? -0.592 7.081 -0.525 1.00 28.15 ? 206 THR L CG2 1 ATOM 3253 N N . VAL B 2 205 ? 0.921 5.164 -2.507 1.00 25.06 ? 207 VAL L N 1 ATOM 3254 C CA . VAL B 2 205 ? 2.319 5.261 -2.911 1.00 23.23 ? 207 VAL L CA 1 ATOM 3255 C C . VAL B 2 205 ? 2.680 6.712 -3.203 1.00 30.10 ? 207 VAL L C 1 ATOM 3256 O O . VAL B 2 205 ? 1.851 7.481 -3.691 1.00 30.35 ? 207 VAL L O 1 ATOM 3257 C CB . VAL B 2 205 ? 2.626 4.402 -4.152 1.00 25.41 ? 207 VAL L CB 1 ATOM 3258 C CG1 . VAL B 2 205 ? 2.556 2.925 -3.802 1.00 25.35 ? 207 VAL L CG1 1 ATOM 3259 C CG2 . VAL B 2 205 ? 1.675 4.745 -5.295 1.00 19.13 ? 207 VAL L CG2 1 ATOM 3260 N N . ALA B 2 206 ? 3.918 7.082 -2.901 1.00 28.09 ? 208 ALA L N 1 ATOM 3261 C CA . ALA B 2 206 ? 4.364 8.454 -3.093 1.00 33.11 ? 208 ALA L CA 1 ATOM 3262 C C . ALA B 2 206 ? 5.625 8.518 -3.944 1.00 43.86 ? 208 ALA L C 1 ATOM 3263 O O . ALA B 2 206 ? 6.584 7.789 -3.696 1.00 45.65 ? 208 ALA L O 1 ATOM 3264 C CB . ALA B 2 206 ? 4.596 9.127 -1.751 1.00 31.66 ? 208 ALA L CB 1 ATOM 3265 N N . PRO B 2 207 ? 5.634 9.416 -4.924 1.00 55.22 ? 209 PRO L N 1 ATOM 3266 C CA . PRO B 2 207 ? 6.820 9.619 -5.763 1.00 38.31 ? 209 PRO L CA 1 ATOM 3267 C C . PRO B 2 207 ? 7.972 10.240 -4.975 1.00 33.18 ? 209 PRO L C 1 ATOM 3268 O O . PRO B 2 207 ? 8.181 9.878 -3.817 1.00 35.23 ? 209 PRO L O 1 ATOM 3269 C CB . PRO B 2 207 ? 6.327 10.597 -6.835 1.00 38.55 ? 209 PRO L CB 1 ATOM 3270 C CG . PRO B 2 207 ? 5.188 11.316 -6.196 1.00 39.73 ? 209 PRO L CG 1 ATOM 3271 C CD . PRO B 2 207 ? 4.525 10.308 -5.302 1.00 30.63 ? 209 PRO L CD 1 HETATM 3272 C C1 . BMA C 3 . ? -22.979 -20.818 -16.893 1.00 30.27 ? 301 BMA H C1 1 HETATM 3273 C C2 . BMA C 3 . ? -21.616 -21.505 -17.091 1.00 30.66 ? 301 BMA H C2 1 HETATM 3274 C C3 . BMA C 3 . ? -21.424 -22.761 -16.215 1.00 34.54 ? 301 BMA H C3 1 HETATM 3275 C C4 . BMA C 3 . ? -21.925 -22.501 -14.796 1.00 30.63 ? 301 BMA H C4 1 HETATM 3276 C C5 . BMA C 3 . ? -23.324 -21.902 -14.901 1.00 23.65 ? 301 BMA H C5 1 HETATM 3277 C C6 . BMA C 3 . ? -23.945 -21.758 -13.515 1.00 25.94 ? 301 BMA H C6 1 HETATM 3278 O O2 . BMA C 3 . ? -20.609 -20.553 -16.757 1.00 33.78 ? 301 BMA H O2 1 HETATM 3279 O O3 . BMA C 3 . ? -20.049 -23.132 -16.137 1.00 39.38 ? 301 BMA H O3 1 HETATM 3280 O O4 . BMA C 3 . ? -21.970 -23.754 -14.115 1.00 27.14 ? 301 BMA H O4 1 HETATM 3281 O O5 . BMA C 3 . ? -23.250 -20.621 -15.510 1.00 32.22 ? 301 BMA H O5 1 HETATM 3282 O O6 . BMA C 3 . ? -25.354 -21.665 -13.706 1.00 34.50 ? 301 BMA H O6 1 HETATM 3283 C C1 . MAN D 4 . ? -19.759 -23.956 -17.174 1.00 24.99 ? 302 MAN H C1 1 HETATM 3284 C C2 . MAN D 4 . ? -18.429 -24.535 -16.700 1.00 30.48 ? 302 MAN H C2 1 HETATM 3285 C C3 . MAN D 4 . ? -17.285 -23.588 -17.049 1.00 29.84 ? 302 MAN H C3 1 HETATM 3286 C C4 . MAN D 4 . ? -17.342 -23.187 -18.516 1.00 31.76 ? 302 MAN H C4 1 HETATM 3287 C C5 . MAN D 4 . ? -18.740 -22.720 -18.899 1.00 36.89 ? 302 MAN H C5 1 HETATM 3288 C C6 . MAN D 4 . ? -18.816 -22.414 -20.388 1.00 37.84 ? 302 MAN H C6 1 HETATM 3289 O O2 . MAN D 4 . ? -18.203 -25.821 -17.293 1.00 33.75 ? 302 MAN H O2 1 HETATM 3290 O O3 . MAN D 4 . ? -16.024 -24.205 -16.777 1.00 26.84 ? 302 MAN H O3 1 HETATM 3291 O O4 . MAN D 4 . ? -16.406 -22.134 -18.750 1.00 41.21 ? 302 MAN H O4 1 HETATM 3292 O O5 . MAN D 4 . ? -19.689 -23.729 -18.575 1.00 31.00 ? 302 MAN H O5 1 HETATM 3293 O O6 . MAN D 4 . ? -19.983 -21.633 -20.653 1.00 42.21 ? 302 MAN H O6 1 HETATM 3294 C C1 . MAN E 4 . ? -25.985 -21.111 -12.543 1.00 35.41 ? 303 MAN H C1 1 HETATM 3295 C C2 . MAN E 4 . ? -27.393 -20.701 -12.940 1.00 37.51 ? 303 MAN H C2 1 HETATM 3296 C C3 . MAN E 4 . ? -27.378 -19.573 -13.947 1.00 37.91 ? 303 MAN H C3 1 HETATM 3297 C C4 . MAN E 4 . ? -26.628 -18.418 -13.309 1.00 39.57 ? 303 MAN H C4 1 HETATM 3298 C C5 . MAN E 4 . ? -25.236 -18.874 -12.882 1.00 41.74 ? 303 MAN H C5 1 HETATM 3299 C C6 . MAN E 4 . ? -24.513 -17.744 -12.159 1.00 41.50 ? 303 MAN H C6 1 HETATM 3300 O O2 . MAN E 4 . ? -28.102 -20.278 -11.806 1.00 44.37 ? 303 MAN H O2 1 HETATM 3301 O O3 . MAN E 4 . ? -28.705 -19.191 -14.214 1.00 31.16 ? 303 MAN H O3 1 HETATM 3302 O O4 . MAN E 4 . ? -26.545 -17.354 -14.228 1.00 39.54 ? 303 MAN H O4 1 HETATM 3303 O O5 . MAN E 4 . ? -25.310 -19.987 -12.011 1.00 41.57 ? 303 MAN H O5 1 HETATM 3304 O O6 . MAN E 4 . ? -23.214 -18.165 -11.807 1.00 44.82 ? 303 MAN H O6 1 HETATM 3305 C C1 . NAG F 5 . ? -28.815 -21.403 -11.270 1.00 44.27 ? 304 NAG H C1 1 HETATM 3306 C C2 . NAG F 5 . ? -29.040 -21.299 -9.800 1.00 52.29 ? 304 NAG H C2 1 HETATM 3307 C C3 . NAG F 5 . ? -29.725 -22.542 -9.288 1.00 45.39 ? 304 NAG H C3 1 HETATM 3308 C C4 . NAG F 5 . ? -31.111 -22.528 -9.864 1.00 48.23 ? 304 NAG H C4 1 HETATM 3309 C C5 . NAG F 5 . ? -30.852 -22.631 -11.323 1.00 53.26 ? 304 NAG H C5 1 HETATM 3310 C C6 . NAG F 5 . ? -32.199 -22.645 -11.974 1.00 53.33 ? 304 NAG H C6 1 HETATM 3311 C C7 . NAG F 5 . ? -27.164 -20.194 -8.760 1.00 50.86 ? 304 NAG H C7 1 HETATM 3312 C C8 . NAG F 5 . ? -27.733 -18.854 -9.103 1.00 40.77 ? 304 NAG H C8 1 HETATM 3313 N N2 . NAG F 5 . ? -27.800 -21.260 -9.114 1.00 55.06 ? 304 NAG H N2 1 HETATM 3314 O O3 . NAG F 5 . ? -29.708 -22.499 -7.916 1.00 37.72 ? 304 NAG H O3 1 HETATM 3315 O O4 . NAG F 5 . ? -31.913 -23.619 -9.544 1.00 42.52 ? 304 NAG H O4 1 HETATM 3316 O O5 . NAG F 5 . ? -30.119 -21.505 -11.737 1.00 51.29 ? 304 NAG H O5 1 HETATM 3317 O O6 . NAG F 5 . ? -32.801 -21.400 -11.825 1.00 53.09 ? 304 NAG H O6 1 HETATM 3318 O O7 . NAG F 5 . ? -26.118 -20.344 -8.173 1.00 56.95 ? 304 NAG H O7 1 HETATM 3319 C C1 . NAG G 5 . ? -26.898 -12.420 -20.251 1.00 37.54 ? 305 NAG H C1 1 HETATM 3320 C C2 . NAG G 5 . ? -26.803 -13.455 -21.333 1.00 51.17 ? 305 NAG H C2 1 HETATM 3321 C C3 . NAG G 5 . ? -26.881 -14.877 -20.840 1.00 57.40 ? 305 NAG H C3 1 HETATM 3322 C C4 . NAG G 5 . ? -26.291 -15.100 -19.494 1.00 49.04 ? 305 NAG H C4 1 HETATM 3323 C C5 . NAG G 5 . ? -26.627 -13.972 -18.575 1.00 45.61 ? 305 NAG H C5 1 HETATM 3324 C C6 . NAG G 5 . ? -26.122 -14.256 -17.158 1.00 34.95 ? 305 NAG H C6 1 HETATM 3325 C C7 . NAG G 5 . ? -27.759 -13.155 -23.532 1.00 54.17 ? 305 NAG H C7 1 HETATM 3326 C C8 . NAG G 5 . ? -29.023 -13.016 -24.325 1.00 38.95 ? 305 NAG H C8 1 HETATM 3327 N N2 . NAG G 5 . ? -27.920 -13.320 -22.232 1.00 55.63 ? 305 NAG H N2 1 HETATM 3328 O O3 . NAG G 5 . ? -26.135 -15.714 -21.674 1.00 64.57 ? 305 NAG H O3 1 HETATM 3329 O O4 . NAG G 5 . ? -26.906 -16.244 -19.072 1.00 47.09 ? 305 NAG H O4 1 HETATM 3330 O O5 . NAG G 5 . ? -26.111 -12.827 -19.186 1.00 46.92 ? 305 NAG H O5 1 HETATM 3331 O O6 . NAG G 5 . ? -24.763 -14.074 -16.973 1.00 41.76 ? 305 NAG H O6 1 HETATM 3332 O O7 . NAG G 5 . ? -26.652 -13.096 -24.065 1.00 63.44 ? 305 NAG H O7 1 HETATM 3333 C C1 . NAG H 5 . ? -25.781 -16.985 -18.472 1.00 38.80 ? 306 NAG H C1 1 HETATM 3334 C C2 . NAG H 5 . ? -26.347 -18.177 -17.721 1.00 25.41 ? 306 NAG H C2 1 HETATM 3335 C C3 . NAG H 5 . ? -25.203 -18.993 -17.134 1.00 21.24 ? 306 NAG H C3 1 HETATM 3336 C C4 . NAG H 5 . ? -24.136 -19.280 -18.191 1.00 25.97 ? 306 NAG H C4 1 HETATM 3337 C C5 . NAG H 5 . ? -23.861 -18.084 -19.105 1.00 33.38 ? 306 NAG H C5 1 HETATM 3338 C C6 . NAG H 5 . ? -22.986 -18.498 -20.281 1.00 18.51 ? 306 NAG H C6 1 HETATM 3339 C C7 . NAG H 5 . ? -28.569 -17.739 -16.885 1.00 22.29 ? 306 NAG H C7 1 HETATM 3340 C C8 . NAG H 5 . ? -29.428 -17.145 -15.807 1.00 24.65 ? 306 NAG H C8 1 HETATM 3341 N N2 . NAG H 5 . ? -27.255 -17.737 -16.680 1.00 19.86 ? 306 NAG H N2 1 HETATM 3342 O O3 . NAG H 5 . ? -25.698 -20.205 -16.608 1.00 17.68 ? 306 NAG H O3 1 HETATM 3343 O O4 . NAG H 5 . ? -22.910 -19.606 -17.566 1.00 24.97 ? 306 NAG H O4 1 HETATM 3344 O O5 . NAG H 5 . ? -25.049 -17.476 -19.567 1.00 40.29 ? 306 NAG H O5 1 HETATM 3345 O O6 . NAG H 5 . ? -21.679 -18.717 -19.797 1.00 31.59 ? 306 NAG H O6 1 HETATM 3346 O O7 . NAG H 5 . ? -29.075 -18.198 -17.907 1.00 24.96 ? 306 NAG H O7 1 HETATM 3347 C C1 . NAG I 5 . ? -18.489 -27.174 -16.960 1.00 26.88 ? 307 NAG H C1 1 HETATM 3348 C C2 . NAG I 5 . ? -18.601 -28.221 -18.022 1.00 16.75 ? 307 NAG H C2 1 HETATM 3349 C C3 . NAG I 5 . ? -18.767 -29.630 -17.452 1.00 22.81 ? 307 NAG H C3 1 HETATM 3350 C C4 . NAG I 5 . ? -17.860 -29.978 -16.284 1.00 22.53 ? 307 NAG H C4 1 HETATM 3351 C C5 . NAG I 5 . ? -17.767 -28.785 -15.369 1.00 30.78 ? 307 NAG H C5 1 HETATM 3352 C C6 . NAG I 5 . ? -16.621 -28.949 -14.398 1.00 41.11 ? 307 NAG H C6 1 HETATM 3353 C C7 . NAG I 5 . ? -19.643 -27.354 -20.023 1.00 27.46 ? 307 NAG H C7 1 HETATM 3354 C C8 . NAG I 5 . ? -20.942 -27.048 -20.687 1.00 20.54 ? 307 NAG H C8 1 HETATM 3355 N N2 . NAG I 5 . ? -19.714 -27.866 -18.843 1.00 23.94 ? 307 NAG H N2 1 HETATM 3356 O O3 . NAG I 5 . ? -18.485 -30.514 -18.458 1.00 19.41 ? 307 NAG H O3 1 HETATM 3357 O O4 . NAG I 5 . ? -18.315 -31.115 -15.572 1.00 30.66 ? 307 NAG H O4 1 HETATM 3358 O O5 . NAG I 5 . ? -17.532 -27.613 -16.091 1.00 34.68 ? 307 NAG H O5 1 HETATM 3359 O O6 . NAG I 5 . ? -15.520 -29.459 -15.088 1.00 45.57 ? 307 NAG H O6 1 HETATM 3360 O O7 . NAG I 5 . ? -18.587 -27.108 -20.545 1.00 26.48 ? 307 NAG H O7 1 HETATM 3361 C C1 . GAL J 6 . ? -17.413 -32.105 -15.829 1.00 25.36 ? 308 GAL H C1 1 HETATM 3362 C C2 . GAL J 6 . ? -17.596 -33.047 -14.649 1.00 27.17 ? 308 GAL H C2 1 HETATM 3363 C C3 . GAL J 6 . ? -16.731 -34.288 -14.811 1.00 33.45 ? 308 GAL H C3 1 HETATM 3364 C C4 . GAL J 6 . ? -16.967 -34.925 -16.172 1.00 29.14 ? 308 GAL H C4 1 HETATM 3365 C C5 . GAL J 6 . ? -16.842 -33.881 -17.276 1.00 22.42 ? 308 GAL H C5 1 HETATM 3366 C C6 . GAL J 6 . ? -17.125 -34.496 -18.641 1.00 26.70 ? 308 GAL H C6 1 HETATM 3367 O O2 . GAL J 6 . ? -17.239 -32.378 -13.438 1.00 37.97 ? 308 GAL H O2 1 HETATM 3368 O O3 . GAL J 6 . ? -17.042 -35.227 -13.781 1.00 35.57 ? 308 GAL H O3 1 HETATM 3369 O O4 . GAL J 6 . ? -18.269 -35.514 -16.201 1.00 25.92 ? 308 GAL H O4 1 HETATM 3370 O O5 . GAL J 6 . ? -17.746 -32.810 -17.022 1.00 21.75 ? 308 GAL H O5 1 HETATM 3371 O O6 . GAL J 6 . ? -16.750 -33.585 -19.679 1.00 33.88 ? 308 GAL H O6 1 HETATM 3372 C C1 . FUC K 7 . ? -24.397 -14.804 -15.813 1.00 56.34 ? 309 FUC H C1 1 HETATM 3373 C C2 . FUC K 7 . ? -22.876 -14.786 -15.778 1.00 59.57 ? 309 FUC H C2 1 HETATM 3374 C C3 . FUC K 7 . ? -22.396 -13.345 -15.695 1.00 66.97 ? 309 FUC H C3 1 HETATM 3375 C C4 . FUC K 7 . ? -23.011 -12.662 -14.481 1.00 71.57 ? 309 FUC H C4 1 HETATM 3376 C C5 . FUC K 7 . ? -24.524 -12.857 -14.458 1.00 65.99 ? 309 FUC H C5 1 HETATM 3377 C C6 . FUC K 7 . ? -25.116 -12.324 -13.162 1.00 60.77 ? 309 FUC H C6 1 HETATM 3378 O O2 . FUC K 7 . ? -22.340 -15.417 -16.944 1.00 56.59 ? 309 FUC H O2 1 HETATM 3379 O O3 . FUC K 7 . ? -20.970 -13.305 -15.611 1.00 61.59 ? 309 FUC H O3 1 HETATM 3380 O O4 . FUC K 7 . ? -22.430 -13.195 -13.286 1.00 79.47 ? 309 FUC H O4 1 HETATM 3381 O O5 . FUC K 7 . ? -24.867 -14.237 -14.594 1.00 65.64 ? 309 FUC H O5 1 HETATM 3382 C C1 . SIA L 8 . ? -15.819 -35.115 -21.169 1.00 52.28 ? 310 SIA H C1 1 HETATM 3383 C C2 . SIA L 8 . ? -16.832 -34.035 -20.880 1.00 40.29 ? 310 SIA H C2 1 HETATM 3384 C C3 . SIA L 8 . ? -16.536 -32.803 -21.727 1.00 34.71 ? 310 SIA H C3 1 HETATM 3385 C C4 . SIA L 8 . ? -16.873 -33.041 -23.190 1.00 35.91 ? 310 SIA H C4 1 HETATM 3386 C C5 . SIA L 8 . ? -18.291 -33.576 -23.303 1.00 35.26 ? 310 SIA H C5 1 HETATM 3387 C C6 . SIA L 8 . ? -18.442 -34.832 -22.460 1.00 32.88 ? 310 SIA H C6 1 HETATM 3388 C C7 . SIA L 8 . ? -19.862 -35.371 -22.584 1.00 37.78 ? 310 SIA H C7 1 HETATM 3389 C C8 . SIA L 8 . ? -19.955 -36.838 -22.173 1.00 40.54 ? 310 SIA H C8 1 HETATM 3390 C C9 . SIA L 8 . ? -18.607 -37.348 -21.691 1.00 35.49 ? 310 SIA H C9 1 HETATM 3391 C C10 . SIA L 8 . ? -19.877 -33.637 -25.118 1.00 26.35 ? 310 SIA H C10 1 HETATM 3392 C C11 . SIA L 8 . ? -20.163 -34.066 -26.524 1.00 17.50 ? 310 SIA H C11 1 HETATM 3393 N N5 . SIA L 8 . ? -18.640 -33.845 -24.684 1.00 29.60 ? 310 SIA H N5 1 HETATM 3394 O O1A . SIA L 8 . ? -16.209 -36.297 -21.258 1.00 61.87 ? 310 SIA H O1A 1 HETATM 3395 O O1B . SIA L 8 . ? -14.624 -34.788 -21.303 1.00 48.99 ? 310 SIA H O1B 1 HETATM 3396 O O4 . SIA L 8 . ? -16.770 -31.813 -23.912 1.00 45.73 ? 310 SIA H O4 1 HETATM 3397 O O6 . SIA L 8 . ? -18.162 -34.509 -21.101 1.00 32.01 ? 310 SIA H O6 1 HETATM 3398 O O7 . SIA L 8 . ? -20.738 -34.579 -21.780 1.00 40.37 ? 310 SIA H O7 1 HETATM 3399 O O8 . SIA L 8 . ? -20.925 -37.014 -21.135 1.00 38.58 ? 310 SIA H O8 1 HETATM 3400 O O9 . SIA L 8 . ? -18.607 -37.342 -20.263 1.00 46.34 ? 310 SIA H O9 1 HETATM 3401 O O10 . SIA L 8 . ? -20.727 -33.128 -24.413 1.00 31.17 ? 310 SIA H O10 1 HETATM 3402 C C . TAM M 9 . ? -4.158 -13.771 -19.421 1.00 51.45 ? 311 TAM H C 1 HETATM 3403 C C1 . TAM M 9 . ? -3.493 -13.813 -18.058 1.00 49.91 ? 311 TAM H C1 1 HETATM 3404 C C2 . TAM M 9 . ? -3.090 -13.283 -20.364 1.00 51.36 ? 311 TAM H C2 1 HETATM 3405 C C3 . TAM M 9 . ? -4.708 -15.129 -19.852 1.00 60.41 ? 311 TAM H C3 1 HETATM 3406 C C4 . TAM M 9 . ? -4.512 -14.015 -16.954 1.00 56.49 ? 311 TAM H C4 1 HETATM 3407 C C5 . TAM M 9 . ? -3.449 -13.581 -21.799 1.00 53.46 ? 311 TAM H C5 1 HETATM 3408 C C6 . TAM M 9 . ? -3.637 -16.216 -19.878 1.00 73.88 ? 311 TAM H C6 1 HETATM 3409 N N . TAM M 9 . ? -5.225 -12.763 -19.447 1.00 38.48 ? 311 TAM H N 1 HETATM 3410 O O4 . TAM M 9 . ? -4.299 -15.281 -16.319 1.00 55.32 ? 311 TAM H O4 1 HETATM 3411 O O5 . TAM M 9 . ? -2.564 -12.718 -22.530 1.00 65.03 ? 311 TAM H O5 1 HETATM 3412 O O6 . TAM M 9 . ? -3.463 -16.736 -18.552 1.00 86.29 ? 311 TAM H O6 1 HETATM 3413 O O . HOH N 10 . ? 7.369 -19.621 -13.617 1.00 29.76 ? 401 HOH H O 1 HETATM 3414 O O . HOH N 10 . ? -18.630 7.290 -39.401 1.00 15.69 ? 402 HOH H O 1 HETATM 3415 O O . HOH N 10 . ? -47.986 3.058 -17.365 1.00 24.20 ? 403 HOH H O 1 HETATM 3416 O O . HOH N 10 . ? -34.851 -6.603 -17.602 1.00 25.86 ? 404 HOH H O 1 HETATM 3417 O O . HOH N 10 . ? -38.306 5.627 -17.252 1.00 31.34 ? 405 HOH H O 1 HETATM 3418 O O . HOH N 10 . ? -17.717 11.104 -30.369 1.00 27.35 ? 406 HOH H O 1 HETATM 3419 O O . HOH N 10 . ? -3.945 -7.383 -14.909 1.00 34.61 ? 407 HOH H O 1 HETATM 3420 O O . HOH N 10 . ? -52.580 9.660 -13.600 1.00 32.11 ? 408 HOH H O 1 HETATM 3421 O O . HOH N 10 . ? -23.125 11.926 -24.462 1.00 33.63 ? 409 HOH H O 1 HETATM 3422 O O . HOH N 10 . ? -19.918 -25.962 -14.348 1.00 32.04 ? 410 HOH H O 1 HETATM 3423 O O . HOH N 10 . ? -49.700 8.468 -24.081 1.00 24.73 ? 411 HOH H O 1 HETATM 3424 O O . HOH N 10 . ? -43.019 -6.416 -28.081 1.00 24.67 ? 412 HOH H O 1 HETATM 3425 O O . HOH N 10 . ? -9.337 4.122 -28.713 1.00 44.63 ? 413 HOH H O 1 HETATM 3426 O O . HOH N 10 . ? -12.745 6.129 -23.800 1.00 35.61 ? 414 HOH H O 1 HETATM 3427 O O . HOH N 10 . ? 1.673 -13.279 -5.757 1.00 35.68 ? 415 HOH H O 1 HETATM 3428 O O . HOH N 10 . ? -44.975 -9.608 -29.207 1.00 34.99 ? 416 HOH H O 1 HETATM 3429 O O . HOH N 10 . ? 15.206 -17.000 -16.788 1.00 20.48 ? 417 HOH H O 1 HETATM 3430 O O . HOH N 10 . ? -26.255 16.159 -31.108 1.00 37.01 ? 418 HOH H O 1 HETATM 3431 O O . HOH N 10 . ? -47.539 18.140 -18.887 1.00 25.91 ? 419 HOH H O 1 HETATM 3432 O O . HOH N 10 . ? -21.908 -24.061 -11.478 1.00 29.56 ? 420 HOH H O 1 HETATM 3433 O O . HOH N 10 . ? 9.044 -0.869 -10.735 1.00 41.33 ? 421 HOH H O 1 HETATM 3434 O O . HOH N 10 . ? -21.914 4.913 -41.914 1.00 27.32 ? 422 HOH H O 1 HETATM 3435 O O . HOH N 10 . ? -39.218 6.151 -36.122 1.00 33.15 ? 423 HOH H O 1 HETATM 3436 O O . HOH N 10 . ? 1.386 -15.670 -26.586 1.00 36.53 ? 424 HOH H O 1 HETATM 3437 O O . HOH N 10 . ? -5.192 3.167 -30.481 1.00 48.88 ? 425 HOH H O 1 HETATM 3438 O O . HOH N 10 . ? -34.489 -11.086 -33.976 1.00 36.33 ? 426 HOH H O 1 HETATM 3439 O O . HOH N 10 . ? -25.896 6.708 -40.246 1.00 35.16 ? 427 HOH H O 1 HETATM 3440 O O . HOH N 10 . ? -12.699 -0.436 -22.506 1.00 43.53 ? 428 HOH H O 1 HETATM 3441 O O . HOH N 10 . ? -58.805 23.342 -24.154 1.00 47.20 ? 429 HOH H O 1 HETATM 3442 O O . HOH N 10 . ? -1.275 -17.163 -12.108 1.00 43.40 ? 430 HOH H O 1 HETATM 3443 O O . HOH N 10 . ? 1.645 -17.013 -15.366 1.00 37.17 ? 431 HOH H O 1 HETATM 3444 O O . HOH N 10 . ? -26.087 -8.384 -24.582 1.00 42.37 ? 432 HOH H O 1 HETATM 3445 O O . HOH N 10 . ? -42.899 -0.665 -32.858 1.00 32.09 ? 434 HOH H O 1 HETATM 3446 O O . HOH N 10 . ? 5.798 -18.000 -20.510 1.00 51.16 ? 435 HOH H O 1 HETATM 3447 O O . HOH N 10 . ? -28.909 -9.883 -23.523 1.00 23.16 ? 436 HOH H O 1 HETATM 3448 O O . HOH N 10 . ? -27.532 -18.570 -21.661 1.00 30.37 ? 437 HOH H O 1 HETATM 3449 O O . HOH N 10 . ? -27.718 -8.790 -31.387 1.00 29.10 ? 438 HOH H O 1 HETATM 3450 O O . HOH N 10 . ? -45.896 14.181 -23.458 1.00 25.53 ? 439 HOH H O 1 HETATM 3451 O O . HOH N 10 . ? -28.565 -10.938 -16.980 1.00 31.10 ? 440 HOH H O 1 HETATM 3452 O O . HOH N 10 . ? -26.292 7.611 -38.074 1.00 42.08 ? 441 HOH H O 1 HETATM 3453 O O . HOH N 10 . ? -24.248 -4.862 -16.732 1.00 39.22 ? 442 HOH H O 1 HETATM 3454 O O . HOH N 10 . ? -22.586 2.879 -41.284 1.00 40.21 ? 443 HOH H O 1 HETATM 3455 O O . HOH N 10 . ? -18.405 -26.105 -12.602 1.00 22.77 ? 444 HOH H O 1 HETATM 3456 O O . HOH N 10 . ? 0.848 -16.632 -18.401 1.00 28.66 ? 445 HOH H O 1 HETATM 3457 O O . HOH N 10 . ? -45.561 9.964 -26.982 1.00 38.86 ? 446 HOH H O 1 HETATM 3458 O O . HOH N 10 . ? -14.513 -26.467 -17.911 1.00 43.49 ? 447 HOH H O 1 HETATM 3459 O O . HOH N 10 . ? 0.615 -18.016 -5.785 1.00 53.34 ? 448 HOH H O 1 HETATM 3460 O O . HOH N 10 . ? -38.438 -10.840 -19.549 1.00 30.46 ? 450 HOH H O 1 HETATM 3461 O O . HOH N 10 . ? 13.289 -21.857 -7.463 1.00 37.09 ? 451 HOH H O 1 HETATM 3462 O O . HOH N 10 . ? -12.400 -1.122 -39.788 1.00 46.45 ? 452 HOH H O 1 HETATM 3463 O O . HOH N 10 . ? -19.156 -17.898 -22.014 1.00 35.22 ? 453 HOH H O 1 HETATM 3464 O O . HOH N 10 . ? -12.197 3.444 -26.347 1.00 40.98 ? 454 HOH H O 1 HETATM 3465 O O . HOH N 10 . ? -44.523 -7.918 -26.668 1.00 34.06 ? 455 HOH H O 1 HETATM 3466 O O . HOH N 10 . ? 6.563 -2.320 -28.747 1.00 36.67 ? 456 HOH H O 1 HETATM 3467 O O . HOH N 10 . ? 12.221 -23.429 -19.515 1.00 52.38 ? 457 HOH H O 1 HETATM 3468 O O . HOH N 10 . ? -37.817 2.115 -38.283 1.00 25.24 ? 458 HOH H O 1 HETATM 3469 O O . HOH N 10 . ? -34.048 -13.156 -31.706 1.00 44.36 ? 459 HOH H O 1 HETATM 3470 O O . HOH N 10 . ? -23.594 14.098 -31.505 1.00 45.58 ? 460 HOH H O 1 HETATM 3471 O O . HOH N 10 . ? 16.238 -19.455 -10.289 1.00 28.37 ? 461 HOH H O 1 HETATM 3472 O O . HOH N 10 . ? -49.671 8.473 -14.187 1.00 55.30 ? 462 HOH H O 1 HETATM 3473 O O . HOH N 10 . ? -33.235 -25.727 -8.219 1.00 47.15 ? 463 HOH H O 1 HETATM 3474 O O . HOH N 10 . ? -41.695 -9.796 -21.197 1.00 46.51 ? 464 HOH H O 1 HETATM 3475 O O . HOH N 10 . ? -19.176 -5.957 -32.187 1.00 46.56 ? 465 HOH H O 1 HETATM 3476 O O . HOH N 10 . ? -15.900 -3.467 -29.645 1.00 30.13 ? 466 HOH H O 1 HETATM 3477 O O . HOH N 10 . ? -33.122 -10.481 -21.839 1.00 29.67 ? 467 HOH H O 1 HETATM 3478 O O . HOH N 10 . ? -46.913 -1.814 -16.648 1.00 39.04 ? 468 HOH H O 1 HETATM 3479 O O . HOH N 10 . ? -14.023 -2.317 -31.510 1.00 37.86 ? 469 HOH H O 1 HETATM 3480 O O . HOH N 10 . ? 7.468 -5.922 8.080 1.00 43.24 ? 470 HOH H O 1 HETATM 3481 O O . HOH N 10 . ? -20.425 -17.057 -17.438 1.00 58.26 ? 471 HOH H O 1 HETATM 3482 O O . HOH N 10 . ? -13.745 -1.191 -41.856 1.00 36.49 ? 474 HOH H O 1 HETATM 3483 O O . HOH N 10 . ? -28.120 14.567 -23.323 1.00 45.56 ? 475 HOH H O 1 HETATM 3484 O O . HOH N 10 . ? 5.466 -0.011 -25.940 1.00 45.93 ? 476 HOH H O 1 HETATM 3485 O O . HOH N 10 . ? -21.977 -18.406 -14.916 1.00 59.96 ? 477 HOH H O 1 HETATM 3486 O O . HOH N 10 . ? -35.775 14.100 -31.168 1.00 34.69 ? 478 HOH H O 1 HETATM 3487 O O . HOH N 10 . ? -25.837 -23.772 -9.418 1.00 67.04 ? 479 HOH H O 1 HETATM 3488 O O . HOH N 10 . ? -17.783 -38.698 -17.498 1.00 50.09 ? 480 HOH H O 1 HETATM 3489 O O . HOH N 10 . ? -25.278 -21.831 -19.023 1.00 55.66 ? 481 HOH H O 1 HETATM 3490 O O . HOH O 10 . ? -6.980 -8.507 -13.346 1.00 30.00 ? 401 HOH L O 1 HETATM 3491 O O . HOH O 10 . ? -29.714 -6.363 -12.558 1.00 29.37 ? 402 HOH L O 1 HETATM 3492 O O . HOH O 10 . ? -3.404 9.874 -2.293 1.00 26.96 ? 403 HOH L O 1 HETATM 3493 O O . HOH O 10 . ? -32.425 -8.506 -14.780 1.00 24.60 ? 404 HOH L O 1 HETATM 3494 O O . HOH O 10 . ? 3.981 0.497 -12.413 1.00 17.56 ? 405 HOH L O 1 HETATM 3495 O O . HOH O 10 . ? -13.736 2.075 -3.183 1.00 27.32 ? 406 HOH L O 1 HETATM 3496 O O . HOH O 10 . ? -37.792 12.700 -17.648 1.00 27.93 ? 407 HOH L O 1 HETATM 3497 O O . HOH O 10 . ? -4.355 -5.499 1.871 1.00 28.13 ? 408 HOH L O 1 HETATM 3498 O O . HOH O 10 . ? -22.062 -8.896 3.538 1.00 27.52 ? 409 HOH L O 1 HETATM 3499 O O . HOH O 10 . ? -40.520 7.327 -6.131 1.00 27.13 ? 410 HOH L O 1 HETATM 3500 O O . HOH O 10 . ? -40.294 5.639 -0.380 1.00 40.80 ? 411 HOH L O 1 HETATM 3501 O O . HOH O 10 . ? -8.955 -13.566 2.143 1.00 31.77 ? 412 HOH L O 1 HETATM 3502 O O . HOH O 10 . ? -14.373 0.471 5.375 1.00 25.85 ? 413 HOH L O 1 HETATM 3503 O O . HOH O 10 . ? -14.890 -7.617 3.161 1.00 23.31 ? 414 HOH L O 1 HETATM 3504 O O . HOH O 10 . ? -48.860 20.097 -11.729 1.00 35.26 ? 415 HOH L O 1 HETATM 3505 O O . HOH O 10 . ? -14.809 -19.598 -2.526 1.00 34.45 ? 416 HOH L O 1 HETATM 3506 O O . HOH O 10 . ? -42.108 18.093 -19.162 1.00 23.15 ? 417 HOH L O 1 HETATM 3507 O O . HOH O 10 . ? -11.115 -10.699 -15.365 1.00 29.31 ? 418 HOH L O 1 HETATM 3508 O O . HOH O 10 . ? -22.614 -0.175 -0.511 1.00 28.75 ? 419 HOH L O 1 HETATM 3509 O O . HOH O 10 . ? 1.049 6.886 -18.972 1.00 46.24 ? 420 HOH L O 1 HETATM 3510 O O . HOH O 10 . ? -36.320 13.580 -6.315 1.00 30.03 ? 421 HOH L O 1 HETATM 3511 O O . HOH O 10 . ? -41.055 -0.361 1.234 1.00 36.19 ? 422 HOH L O 1 HETATM 3512 O O . HOH O 10 . ? -40.713 12.820 -6.536 1.00 26.52 ? 423 HOH L O 1 HETATM 3513 O O . HOH O 10 . ? -39.366 15.768 -17.082 1.00 28.59 ? 424 HOH L O 1 HETATM 3514 O O . HOH O 10 . ? 12.139 0.247 -11.926 1.00 32.90 ? 425 HOH L O 1 HETATM 3515 O O . HOH O 10 . ? -23.917 8.637 0.606 1.00 32.80 ? 426 HOH L O 1 HETATM 3516 O O . HOH O 10 . ? -23.505 -3.039 -9.708 1.00 35.45 ? 427 HOH L O 1 HETATM 3517 O O . HOH O 10 . ? 6.848 13.009 -21.076 1.00 46.62 ? 428 HOH L O 1 HETATM 3518 O O . HOH O 10 . ? -29.260 11.698 -7.229 1.00 46.75 ? 429 HOH L O 1 HETATM 3519 O O . HOH O 10 . ? -0.643 1.767 -19.019 1.00 52.10 ? 430 HOH L O 1 HETATM 3520 O O . HOH O 10 . ? 5.975 0.664 -14.789 1.00 29.46 ? 431 HOH L O 1 HETATM 3521 O O . HOH O 10 . ? -16.414 -18.788 -6.396 1.00 32.73 ? 432 HOH L O 1 HETATM 3522 O O . HOH O 10 . ? -43.970 27.645 -8.438 1.00 32.02 ? 433 HOH L O 1 HETATM 3523 O O . HOH O 10 . ? -44.384 16.788 -7.290 1.00 28.59 ? 434 HOH L O 1 HETATM 3524 O O . HOH O 10 . ? -20.468 -34.379 -17.434 1.00 39.36 ? 435 HOH L O 1 HETATM 3525 O O . HOH O 10 . ? -33.281 -8.984 -11.918 1.00 41.80 ? 436 HOH L O 1 HETATM 3526 O O . HOH O 10 . ? -33.197 11.342 -13.948 1.00 34.74 ? 437 HOH L O 1 HETATM 3527 O O . HOH O 10 . ? -25.055 8.215 -1.810 1.00 39.25 ? 438 HOH L O 1 HETATM 3528 O O . HOH O 10 . ? -23.614 2.659 5.286 1.00 37.59 ? 439 HOH L O 1 HETATM 3529 O O . HOH O 10 . ? -44.803 1.771 -4.008 1.00 40.23 ? 440 HOH L O 1 HETATM 3530 O O . HOH O 10 . ? -32.672 12.572 -12.189 1.00 28.55 ? 441 HOH L O 1 HETATM 3531 O O . HOH O 10 . ? 6.917 -0.065 -9.322 1.00 47.37 ? 442 HOH L O 1 HETATM 3532 O O . HOH O 10 . ? -41.936 10.239 -6.867 1.00 44.87 ? 443 HOH L O 1 HETATM 3533 O O . HOH O 10 . ? -18.830 -3.274 -3.984 1.00 34.10 ? 444 HOH L O 1 HETATM 3534 O O . HOH O 10 . ? -4.408 12.492 -11.921 1.00 26.85 ? 445 HOH L O 1 HETATM 3535 O O . HOH O 10 . ? -13.590 4.920 -1.227 1.00 34.81 ? 446 HOH L O 1 HETATM 3536 O O . HOH O 10 . ? -35.894 -8.232 -7.651 1.00 39.97 ? 447 HOH L O 1 HETATM 3537 O O . HOH O 10 . ? 12.631 3.058 -20.821 1.00 36.82 ? 448 HOH L O 1 HETATM 3538 O O . HOH O 10 . ? -29.043 12.752 -9.816 1.00 56.92 ? 449 HOH L O 1 HETATM 3539 O O . HOH O 10 . ? -34.746 -0.574 9.927 1.00 40.27 ? 450 HOH L O 1 HETATM 3540 O O . HOH O 10 . ? -33.181 15.482 -10.919 1.00 27.64 ? 451 HOH L O 1 HETATM 3541 O O . HOH O 10 . ? 0.242 -9.671 -3.406 1.00 40.85 ? 452 HOH L O 1 HETATM 3542 O O . HOH O 10 . ? -9.703 -10.476 -12.903 1.00 47.68 ? 453 HOH L O 1 HETATM 3543 O O . HOH O 10 . ? -13.191 1.214 -11.680 1.00 25.04 ? 454 HOH L O 1 HETATM 3544 O O . HOH O 10 . ? -19.347 -3.079 -1.298 1.00 39.43 ? 455 HOH L O 1 HETATM 3545 O O . HOH O 10 . ? -37.877 -10.427 2.679 1.00 45.69 ? 456 HOH L O 1 HETATM 3546 O O . HOH O 10 . ? -40.771 15.725 -19.675 1.00 38.86 ? 457 HOH L O 1 HETATM 3547 O O . HOH O 10 . ? -18.979 -4.371 -8.591 1.00 28.34 ? 458 HOH L O 1 HETATM 3548 O O . HOH O 10 . ? -34.338 -7.892 -5.056 1.00 42.25 ? 459 HOH L O 1 HETATM 3549 O O . HOH O 10 . ? -37.541 17.219 -0.706 1.00 37.38 ? 460 HOH L O 1 HETATM 3550 O O . HOH O 10 . ? -19.212 -31.655 -11.531 1.00 41.40 ? 461 HOH L O 1 HETATM 3551 O O . HOH O 10 . ? -35.736 -7.923 -15.907 1.00 52.75 ? 462 HOH L O 1 HETATM 3552 O O . HOH O 10 . ? -26.624 7.932 -14.338 1.00 38.03 ? 463 HOH L O 1 HETATM 3553 O O . HOH O 10 . ? -17.761 -29.537 -11.869 1.00 55.71 ? 464 HOH L O 1 HETATM 3554 O O . HOH O 10 . ? -12.005 6.930 -8.880 1.00 45.20 ? 466 HOH L O 1 HETATM 3555 O O . HOH O 10 . ? -29.491 12.323 -5.099 1.00 52.29 ? 467 HOH L O 1 HETATM 3556 O O . HOH O 10 . ? -13.953 -15.560 5.622 1.00 31.94 ? 469 HOH L O 1 HETATM 3557 O O . HOH O 10 . ? -21.673 -3.835 -3.600 1.00 50.25 ? 470 HOH L O 1 HETATM 3558 O O . HOH O 10 . ? -4.494 6.859 4.307 1.00 45.18 ? 471 HOH L O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . GLN A 1 ? 0.4394 0.2835 0.6129 -0.0468 0.1486 0.1524 1 GLN H N 2 C CA . GLN A 1 ? 0.7392 0.5916 0.8667 -0.0341 0.1387 0.1546 1 GLN H CA 3 C C . GLN A 1 ? 0.7975 0.6389 0.9183 -0.0440 0.1220 0.1302 1 GLN H C 4 O O . GLN A 1 ? 0.9057 0.7313 1.0527 -0.0577 0.1185 0.1118 1 GLN H O 5 C CB . GLN A 1 ? 0.6954 0.5464 0.7979 -0.0118 0.1459 0.1766 1 GLN H CB 6 C CG . GLN A 1 ? 0.6308 0.4967 0.6844 0.0021 0.1348 0.1789 1 GLN H CG 7 C CD . GLN A 1 ? 0.6095 0.4845 0.6399 0.0239 0.1394 0.2005 1 GLN H CD 8 O OE1 . GLN A 1 ? 0.5863 0.4767 0.5787 0.0355 0.1285 0.2011 1 GLN H OE1 9 N NE2 . GLN A 1 ? 0.6234 0.4918 0.6787 0.0295 0.1553 0.2179 1 GLN H NE2 10 N N . MET A 2 ? 0.6598 0.5113 0.7451 -0.0371 0.1110 0.1268 2 MET H N 11 C CA . MET A 2 ? 0.4841 0.3333 0.5599 -0.0439 0.0912 0.0985 2 MET H CA 12 C C . MET A 2 ? 0.4813 0.3268 0.5257 -0.0280 0.0853 0.1016 2 MET H C 13 O O . MET A 2 ? 0.5731 0.4306 0.5925 -0.0131 0.0879 0.1185 2 MET H O 14 C CB . MET A 2 ? 0.4475 0.3212 0.5147 -0.0517 0.0752 0.0799 2 MET H CB 15 C CG . MET A 2 ? 0.3703 0.2626 0.3981 -0.0387 0.0661 0.0800 2 MET H CG 16 S SD . MET A 2 ? 0.6628 0.5764 0.6878 -0.0467 0.0495 0.0594 2 MET H SD 17 C CE . MET A 2 ? 0.5981 0.5284 0.6512 -0.0527 0.0605 0.0696 2 MET H CE 18 N N . GLN A 3 ? 0.3835 0.2150 0.4294 -0.0311 0.0776 0.0848 3 GLN H N 19 C CA . GLN A 3 ? 0.4301 0.2628 0.4508 -0.0158 0.0718 0.0885 3 GLN H CA 20 C C . GLN A 3 ? 0.3841 0.2272 0.3863 -0.0192 0.0537 0.0646 3 GLN H C 21 O O . GLN A 3 ? 0.4362 0.2733 0.4492 -0.0318 0.0484 0.0443 3 GLN H O 22 C CB . GLN A 3 ? 0.4924 0.2974 0.5326 -0.0104 0.0839 0.0961 3 GLN H CB 23 C CG . GLN A 3 ? 0.6194 0.4121 0.6788 -0.0014 0.1046 0.1261 3 GLN H CG 24 C CD . GLN A 3 ? 0.7197 0.4942 0.7958 0.0071 0.1122 0.1284 3 GLN H CD 25 O OE1 . GLN A 3 ? 0.6080 0.3613 0.7083 -0.0043 0.1158 0.1090 3 GLN H OE1 26 N NE2 . GLN A 3 ? 0.8163 0.6033 0.8784 0.0274 0.1139 0.1506 3 GLN H NE2 27 N N . LEU A 4 ? 0.3233 0.1836 0.2984 -0.0079 0.0446 0.0675 4 LEU H N 28 C CA . LEU A 4 ? 0.2968 0.1665 0.2575 -0.0097 0.0302 0.0487 4 LEU H CA 29 C C . LEU A 4 ? 0.4599 0.3309 0.4118 0.0027 0.0273 0.0526 4 LEU H C 30 O O . LEU A 4 ? 0.3102 0.1882 0.2558 0.0153 0.0305 0.0710 4 LEU H O 31 C CB . LEU A 4 ? 0.2775 0.1692 0.2205 -0.0110 0.0210 0.0435 4 LEU H CB 32 C CG . LEU A 4 ? 0.5371 0.4354 0.4884 -0.0215 0.0209 0.0378 4 LEU H CG 33 C CD1 . LEU A 4 ? 0.2846 0.1752 0.2572 -0.0261 0.0340 0.0499 4 LEU H CD1 34 C CD2 . LEU A 4 ? 0.5903 0.5066 0.5247 -0.0182 0.0157 0.0356 4 LEU H CD2 35 N N . GLN A 5 ? 0.3449 0.2130 0.2967 -0.0003 0.0213 0.0364 5 GLN H N 36 C CA . GLN A 5 ? 0.3355 0.2072 0.2844 0.0113 0.0196 0.0401 5 GLN H CA 37 C C . GLN A 5 ? 0.3459 0.2304 0.2854 0.0083 0.0093 0.0243 5 GLN H C 38 O O . GLN A 5 ? 0.3833 0.2604 0.3239 -0.0001 0.0088 0.0085 5 GLN H O 39 C CB . GLN A 5 ? 0.3679 0.2144 0.3361 0.0158 0.0323 0.0427 5 GLN H CB 40 C CG . GLN A 5 ? 0.3388 0.1906 0.3092 0.0290 0.0322 0.0469 5 GLN H CG 41 C CD . GLN A 5 ? 0.4123 0.2375 0.4050 0.0376 0.0486 0.0548 5 GLN H CD 42 O OE1 . GLN A 5 ? 0.4646 0.2665 0.4724 0.0339 0.0606 0.0594 5 GLN H OE1 43 N NE2 . GLN A 5 ? 0.4086 0.2366 0.4079 0.0494 0.0510 0.0568 5 GLN H NE2 44 N N . GLU A 6 ? 0.3124 0.2180 0.2432 0.0150 0.0015 0.0290 6 GLU H N 45 C CA . GLU A 6 ? 0.3080 0.2259 0.2356 0.0125 -0.0058 0.0174 6 GLU H CA 46 C C . GLU A 6 ? 0.2989 0.2156 0.2372 0.0209 -0.0022 0.0187 6 GLU H C 47 O O . GLU A 6 ? 0.3067 0.2270 0.2528 0.0321 0.0004 0.0324 6 GLU H O 48 C CB . GLU A 6 ? 0.3045 0.2454 0.2235 0.0128 -0.0154 0.0181 6 GLU H CB 49 C CG . GLU A 6 ? 0.3294 0.2724 0.2375 0.0080 -0.0162 0.0182 6 GLU H CG 50 C CD . GLU A 6 ? 0.3043 0.2515 0.2055 0.0159 -0.0134 0.0334 6 GLU H CD 51 O OE1 . GLU A 6 ? 0.3416 0.2900 0.2483 0.0258 -0.0112 0.0458 6 GLU H OE1 52 O OE2 . GLU A 6 ? 0.2865 0.2370 0.1774 0.0139 -0.0117 0.0349 6 GLU H OE2 53 N N . SER A 7 ? 0.2921 0.2065 0.2311 0.0175 -0.0008 0.0069 7 SER H N 54 C CA . SER A 7 ? 0.3924 0.3054 0.3418 0.0257 0.0057 0.0064 7 SER H CA 55 C C . SER A 7 ? 0.3568 0.2801 0.3042 0.0228 0.0051 -0.0029 7 SER H C 56 O O . SER A 7 ? 0.3459 0.2682 0.2823 0.0145 0.0032 -0.0117 7 SER H O 57 C CB . SER A 7 ? 0.2803 0.1653 0.2350 0.0277 0.0185 0.0013 7 SER H CB 58 O OG . SER A 7 ? 0.2848 0.1594 0.2292 0.0182 0.0204 -0.0166 7 SER H OG 59 N N . GLY A 8 ? 0.3849 0.3193 0.3456 0.0311 0.0084 0.0016 8 GLY H N 60 C CA . GLY A 8 ? 0.4734 0.4143 0.4347 0.0304 0.0133 -0.0047 8 GLY H CA 61 C C . GLY A 8 ? 0.6564 0.5851 0.6212 0.0391 0.0278 -0.0091 8 GLY H C 62 O O . GLY A 8 ? 0.6735 0.5917 0.6494 0.0482 0.0346 -0.0045 8 GLY H O 63 N N . PRO A 9 ? 0.8003 0.7303 0.7544 0.0371 0.0340 -0.0176 9 PRO H N 64 C CA . PRO A 9 ? 0.9315 0.8540 0.8847 0.0457 0.0497 -0.0242 9 PRO H CA 65 C C . PRO A 9 ? 0.9736 0.9097 0.9549 0.0579 0.0566 -0.0119 9 PRO H C 66 O O . PRO A 9 ? 0.7950 0.7209 0.7844 0.0691 0.0711 -0.0137 9 PRO H O 67 C CB . PRO A 9 ? 0.9012 0.8360 0.8391 0.0417 0.0517 -0.0277 9 PRO H CB 68 C CG . PRO A 9 ? 0.7980 0.7501 0.7466 0.0355 0.0407 -0.0172 9 PRO H CG 69 C CD . PRO A 9 ? 0.7609 0.7045 0.7065 0.0292 0.0285 -0.0178 9 PRO H CD 70 N N . GLY A 10 ? 1.0455 1.0064 1.0441 0.0553 0.0458 -0.0003 10 GLY H N 71 C CA . GLY A 10 ? 0.9520 0.9341 0.9820 0.0650 0.0471 0.0125 10 GLY H CA 72 C C . GLY A 10 ? 0.8078 0.8172 0.8526 0.0569 0.0386 0.0166 10 GLY H C 73 O O . GLY A 10 ? 0.7383 0.7488 0.7724 0.0452 0.0274 0.0129 10 GLY H O 74 N N . LEU A 11 ? 0.6820 0.7130 0.7564 0.0638 0.0461 0.0245 11 LEU H N 75 C CA . LEU A 11 ? 0.5597 0.6248 0.6686 0.0595 0.0390 0.0316 11 LEU H CA 76 C C . LEU A 11 ? 0.5357 0.6039 0.6447 0.0472 0.0413 0.0279 11 LEU H C 77 O O . LEU A 11 ? 0.4822 0.5393 0.5789 0.0499 0.0570 0.0272 11 LEU H O 78 C CB . LEU A 11 ? 0.6137 0.6989 0.7573 0.0732 0.0511 0.0422 11 LEU H CB 79 C CG . LEU A 11 ? 0.8170 0.9056 0.9724 0.0885 0.0496 0.0518 11 LEU H CG 80 C CD1 . LEU A 11 ? 0.8283 0.8767 0.9496 0.0934 0.0560 0.0453 11 LEU H CD1 81 C CD2 . LEU A 11 ? 0.8516 0.9588 1.0434 0.1039 0.0658 0.0629 11 LEU H CD2 82 N N . VAL A 12 ? 0.4773 0.5614 0.6009 0.0346 0.0267 0.0257 12 VAL H N 83 C CA . VAL A 12 ? 0.4219 0.5062 0.5525 0.0223 0.0301 0.0234 12 VAL H CA 84 C C . VAL A 12 ? 0.3616 0.4752 0.5402 0.0150 0.0305 0.0269 12 VAL H C 85 O O . VAL A 12 ? 0.3058 0.4396 0.5056 0.0063 0.0145 0.0214 12 VAL H O 86 C CB . VAL A 12 ? 0.4058 0.4775 0.5167 0.0106 0.0170 0.0142 12 VAL H CB 87 C CG1 . VAL A 12 ? 0.3066 0.3627 0.4072 0.0051 0.0276 0.0153 12 VAL H CG1 88 C CG2 . VAL A 12 ? 0.4581 0.5142 0.5371 0.0155 0.0086 0.0107 12 VAL H CG2 89 N N . LYS A 13 ? 0.3311 0.4473 0.5257 0.0176 0.0498 0.0355 13 LYS H N 90 C CA . LYS A 13 ? 0.2014 0.3420 0.4459 0.0086 0.0545 0.0400 13 LYS H CA 91 C C . LYS A 13 ? 0.2000 0.3296 0.4511 -0.0069 0.0551 0.0359 13 LYS H C 92 O O . LYS A 13 ? 0.2534 0.3576 0.4712 -0.0061 0.0606 0.0367 13 LYS H O 93 C CB . LYS A 13 ? 0.2117 0.3601 0.4727 0.0198 0.0789 0.0540 13 LYS H CB 94 C CG . LYS A 13 ? 0.2174 0.3714 0.4730 0.0363 0.0821 0.0572 13 LYS H CG 95 C CD . LYS A 13 ? 0.2561 0.4256 0.5396 0.0461 0.1050 0.0697 13 LYS H CD 96 C CE . LYS A 13 ? 0.3162 0.4634 0.5595 0.0632 0.1236 0.0706 13 LYS H CE 97 N NZ . LYS A 13 ? 0.2823 0.4448 0.5490 0.0786 0.1323 0.0763 13 LYS H NZ 98 N N . PRO A 14 ? 0.2286 0.3796 0.5272 -0.0212 0.0493 0.0313 14 PRO H N 99 C CA . PRO A 14 ? 0.2007 0.3409 0.5191 -0.0368 0.0537 0.0270 14 PRO H CA 100 C C . PRO A 14 ? 0.2829 0.4024 0.5907 -0.0304 0.0788 0.0441 14 PRO H C 101 O O . PRO A 14 ? 0.2398 0.3673 0.5527 -0.0194 0.0961 0.0589 14 PRO H O 102 C CB . PRO A 14 ? 0.2014 0.3737 0.5834 -0.0503 0.0505 0.0228 14 PRO H CB 103 C CG . PRO A 14 ? 0.1952 0.3976 0.5825 -0.0428 0.0357 0.0213 14 PRO H CG 104 C CD . PRO A 14 ? 0.1926 0.3795 0.5271 -0.0250 0.0331 0.0256 14 PRO H CD 105 N N . SER A 15 ? 0.2142 0.3091 0.5056 -0.0355 0.0810 0.0426 15 SER H N 106 C CA . SER A 15 ? 0.2267 0.3045 0.5069 -0.0286 0.1034 0.0617 15 SER H CA 107 C C . SER A 15 ? 0.4355 0.5052 0.6588 -0.0105 0.1073 0.0696 15 SER H C 108 O O . SER A 15 ? 0.6317 0.6963 0.8398 -0.0010 0.1258 0.0872 15 SER H O 109 C CB . SER A 15 ? 0.2381 0.3301 0.5638 -0.0283 0.1277 0.0805 15 SER H CB 110 O OG . SER A 15 ? 0.2526 0.3569 0.5602 -0.0120 0.1389 0.0919 15 SER H OG 111 N N . GLU A 16 ? 0.3251 0.3945 0.5176 -0.0059 0.0904 0.0564 16 GLU H N 112 C CA . GLU A 16 ? 0.3245 0.3812 0.4631 0.0065 0.0897 0.0562 16 GLU H CA 113 C C . GLU A 16 ? 0.3108 0.3504 0.4205 0.0017 0.0733 0.0454 16 GLU H C 114 O O . GLU A 16 ? 0.2815 0.3196 0.4079 -0.0094 0.0609 0.0354 16 GLU H O 115 C CB . GLU A 16 ? 0.2881 0.3521 0.4160 0.0162 0.0870 0.0505 16 GLU H CB 116 C CG . GLU A 16 ? 0.4537 0.5322 0.5984 0.0264 0.1082 0.0625 16 GLU H CG 117 C CD . GLU A 16 ? 0.5332 0.6132 0.6639 0.0388 0.1092 0.0566 16 GLU H CD 118 O OE1 . GLU A 16 ? 0.5125 0.5863 0.6330 0.0380 0.0922 0.0455 16 GLU H OE1 119 O OE2 . GLU A 16 ? 0.5399 0.6266 0.6707 0.0505 0.1293 0.0642 16 GLU H OE2 120 N N . THR A 17 ? 0.3204 0.3495 0.3873 0.0097 0.0736 0.0464 17 THR H N 121 C CA . THR A 17 ? 0.3073 0.3228 0.3489 0.0061 0.0599 0.0383 17 THR H CA 122 C C . THR A 17 ? 0.3268 0.3383 0.3542 0.0054 0.0443 0.0237 17 THR H C 123 O O . THR A 17 ? 0.2907 0.3021 0.3033 0.0129 0.0461 0.0205 17 THR H O 124 C CB . THR A 17 ? 0.2786 0.2903 0.2839 0.0139 0.0647 0.0453 17 THR H CB 125 O OG1 . THR A 17 ? 0.2842 0.3010 0.3016 0.0169 0.0801 0.0641 17 THR H OG1 126 C CG2 . THR A 17 ? 0.2281 0.2297 0.2134 0.0098 0.0503 0.0375 17 THR H CG2 127 N N . LEU A 18 ? 0.3277 0.3350 0.3601 -0.0027 0.0313 0.0153 18 LEU H N 128 C CA . LEU A 18 ? 0.2211 0.2246 0.2380 -0.0022 0.0181 0.0057 18 LEU H CA 129 C C . LEU A 18 ? 0.3033 0.2930 0.2871 0.0003 0.0158 0.0036 18 LEU H C 130 O O . LEU A 18 ? 0.3320 0.3165 0.3090 -0.0032 0.0145 0.0050 18 LEU H O 131 C CB . LEU A 18 ? 0.2574 0.2646 0.2871 -0.0109 0.0060 -0.0025 18 LEU H CB 132 C CG . LEU A 18 ? 0.4075 0.4122 0.4186 -0.0089 -0.0060 -0.0083 18 LEU H CG 133 C CD1 . LEU A 18 ? 0.4128 0.4268 0.4287 -0.0006 -0.0070 -0.0049 18 LEU H CD1 134 C CD2 . LEU A 18 ? 0.3502 0.3605 0.3663 -0.0167 -0.0167 -0.0173 18 LEU H CD2 135 N N . SER A 19 ? 0.2785 0.2629 0.2459 0.0062 0.0162 -0.0001 19 SER H N 136 C CA . SER A 19 ? 0.2310 0.2040 0.1719 0.0061 0.0130 -0.0055 19 SER H CA 137 C C . SER A 19 ? 0.2556 0.2190 0.1931 0.0057 0.0058 -0.0113 19 SER H C 138 O O . SER A 19 ? 0.2355 0.1965 0.1786 0.0115 0.0089 -0.0119 19 SER H O 139 C CB . SER A 19 ? 0.2340 0.2064 0.1572 0.0121 0.0223 -0.0079 19 SER H CB 140 O OG . SER A 19 ? 0.5697 0.5533 0.4943 0.0147 0.0310 0.0019 19 SER H OG 141 N N . LEU A 20 ? 0.2631 0.2216 0.1938 0.0002 -0.0018 -0.0129 20 LEU H N 142 C CA . LEU A 20 ? 0.3177 0.2675 0.2457 0.0001 -0.0065 -0.0146 20 LEU H CA 143 C C . LEU A 20 ? 0.3705 0.3097 0.2853 -0.0043 -0.0076 -0.0198 20 LEU H C 144 O O . LEU A 20 ? 0.4427 0.3867 0.3508 -0.0084 -0.0094 -0.0208 20 LEU H O 145 C CB . LEU A 20 ? 0.3422 0.2990 0.2767 -0.0024 -0.0136 -0.0117 20 LEU H CB 146 C CG . LEU A 20 ? 0.3684 0.3370 0.3153 0.0023 -0.0169 -0.0082 20 LEU H CG 147 C CD1 . LEU A 20 ? 0.3256 0.3030 0.2875 0.0060 -0.0115 -0.0067 20 LEU H CD1 148 C CD2 . LEU A 20 ? 0.2627 0.2434 0.2130 -0.0025 -0.0247 -0.0107 20 LEU H CD2 149 N N . THR A 21 ? 0.3332 0.2596 0.2481 -0.0035 -0.0062 -0.0218 21 THR H N 150 C CA . THR A 21 ? 0.2373 0.1538 0.1468 -0.0101 -0.0070 -0.0285 21 THR H CA 151 C C . THR A 21 ? 0.3253 0.2346 0.2417 -0.0111 -0.0075 -0.0217 21 THR H C 152 O O . THR A 21 ? 0.2453 0.1514 0.1677 -0.0042 -0.0049 -0.0135 21 THR H O 153 C CB . THR A 21 ? 0.2591 0.1623 0.1651 -0.0098 -0.0005 -0.0405 21 THR H CB 154 O OG1 . THR A 21 ? 0.2637 0.1769 0.1577 -0.0079 0.0011 -0.0464 21 THR H OG1 155 C CG2 . THR A 21 ? 0.4867 0.3804 0.3933 -0.0196 -0.0023 -0.0504 21 THR H CG2 156 N N . CYS A 22 ? 0.3012 0.2112 0.2175 -0.0187 -0.0105 -0.0228 22 CYS H N 157 C CA . CYS A 22 ? 0.2974 0.2006 0.2208 -0.0199 -0.0079 -0.0151 22 CYS H CA 158 C C . CYS A 22 ? 0.3193 0.2098 0.2523 -0.0285 -0.0046 -0.0230 22 CYS H C 159 O O . CYS A 22 ? 0.2949 0.1940 0.2297 -0.0374 -0.0095 -0.0296 22 CYS H O 160 C CB . CYS A 22 ? 0.3692 0.2852 0.2902 -0.0215 -0.0115 -0.0092 22 CYS H CB 161 S SG . CYS A 22 ? 0.5628 0.4745 0.4888 -0.0205 -0.0053 0.0034 22 CYS H SG 162 N N . SER A 23 ? 0.3908 0.2618 0.3333 -0.0261 0.0039 -0.0223 23 SER H N 163 C CA . SER A 23 ? 0.4239 0.2782 0.3816 -0.0361 0.0093 -0.0322 23 SER H CA 164 C C . SER A 23 ? 0.4021 0.2548 0.3746 -0.0403 0.0135 -0.0195 23 SER H C 165 O O . SER A 23 ? 0.3251 0.1743 0.2994 -0.0309 0.0202 -0.0008 23 SER H O 166 C CB . SER A 23 ? 0.4803 0.3094 0.4474 -0.0309 0.0209 -0.0359 23 SER H CB 167 O OG . SER A 23 ? 0.6944 0.5261 0.6480 -0.0257 0.0196 -0.0470 23 SER H OG 168 N N . VAL A 24 ? 0.4181 0.2773 0.4016 -0.0537 0.0097 -0.0285 24 VAL H N 169 C CA . VAL A 24 ? 0.4030 0.2635 0.4048 -0.0586 0.0153 -0.0162 24 VAL H CA 170 C C . VAL A 24 ? 0.4312 0.2709 0.4628 -0.0708 0.0247 -0.0235 24 VAL H C 171 O O . VAL A 24 ? 0.5055 0.3429 0.5443 -0.0832 0.0194 -0.0465 24 VAL H O 172 C CB . VAL A 24 ? 0.4571 0.3445 0.4582 -0.0647 0.0057 -0.0173 24 VAL H CB 173 C CG1 . VAL A 24 ? 0.4597 0.3496 0.4836 -0.0696 0.0141 -0.0044 24 VAL H CG1 174 C CG2 . VAL A 24 ? 0.3721 0.2747 0.3492 -0.0533 -0.0001 -0.0102 24 VAL H CG2 175 N N . SER A 25 ? 0.3355 0.1606 0.3848 -0.0672 0.0394 -0.0042 25 SER H N 176 C CA . SER A 25 ? 0.4161 0.2175 0.5014 -0.0789 0.0524 -0.0077 25 SER H CA 177 C C . SER A 25 ? 0.3932 0.2005 0.5022 -0.0830 0.0625 0.0121 25 SER H C 178 O O . SER A 25 ? 0.4130 0.2311 0.5073 -0.0696 0.0671 0.0359 25 SER H O 179 C CB . SER A 25 ? 0.4353 0.2045 0.5277 -0.0683 0.0678 0.0003 25 SER H CB 180 O OG . SER A 25 ? 0.6810 0.4317 0.8076 -0.0766 0.0802 -0.0014 25 SER H OG 181 N N . GLY A 26 ? 0.3855 0.1880 0.5312 -0.1019 0.0661 0.0008 26 GLY H N 182 C CA . GLY A 26 ? 0.3864 0.1998 0.5567 -0.1051 0.0757 0.0192 26 GLY H CA 183 C C . GLY A 26 ? 0.5051 0.3516 0.6779 -0.1132 0.0650 0.0171 26 GLY H C 184 O O . GLY A 26 ? 0.5521 0.4108 0.7432 -0.1136 0.0747 0.0352 26 GLY H O 185 N N . ALA A 27 ? 0.4264 0.2926 0.5764 -0.1153 0.0444 -0.0032 27 ALA H N 186 C CA . ALA A 27 ? 0.3200 0.2228 0.4688 -0.1184 0.0316 -0.0045 27 ALA H CA 187 C C . ALA A 27 ? 0.4122 0.3325 0.5379 -0.1206 0.0104 -0.0267 27 ALA H C 188 O O . ALA A 27 ? 0.3610 0.2658 0.4618 -0.1150 0.0070 -0.0372 27 ALA H O 189 C CB . ALA A 27 ? 0.3547 0.2679 0.4817 -0.1007 0.0383 0.0195 27 ALA H CB 190 N N . SER A 28 ? 0.3502 0.3050 0.4853 -0.1272 -0.0025 -0.0312 28 SER H N 191 C CA . SER A 28 ? 0.3303 0.3075 0.4427 -0.1268 -0.0218 -0.0467 28 SER H CA 192 C C . SER A 28 ? 0.3347 0.3262 0.4205 -0.1091 -0.0240 -0.0307 28 SER H C 193 O O . SER A 28 ? 0.2953 0.2955 0.3906 -0.1028 -0.0161 -0.0129 28 SER H O 194 C CB . SER A 28 ? 0.3382 0.3497 0.4781 -0.1441 -0.0370 -0.0614 28 SER H CB 195 O OG . SER A 28 ? 0.5677 0.6067 0.7329 -0.1433 -0.0354 -0.0437 28 SER H OG 196 N N . ILE A 29 ? 0.3567 0.3492 0.4110 -0.1012 -0.0326 -0.0377 29 ILE H N 197 C CA . ILE A 29 ? 0.3746 0.3764 0.4075 -0.0859 -0.0332 -0.0245 29 ILE H CA 198 C C . ILE A 29 ? 0.3863 0.4231 0.4344 -0.0855 -0.0404 -0.0166 29 ILE H C 199 O O . ILE A 29 ? 0.3761 0.4185 0.4185 -0.0734 -0.0358 -0.0028 29 ILE H O 200 C CB . ILE A 29 ? 0.4433 0.4399 0.4453 -0.0790 -0.0392 -0.0328 29 ILE H CB 201 C CG1 . ILE A 29 ? 0.4884 0.5055 0.4875 -0.0878 -0.0535 -0.0498 29 ILE H CG1 202 C CG2 . ILE A 29 ? 0.4386 0.4027 0.4283 -0.0754 -0.0301 -0.0362 29 ILE H CG2 203 C CD1 . ILE A 29 ? 0.5047 0.5243 0.4729 -0.0788 -0.0578 -0.0536 29 ILE H CD1 204 N N . SER A 30 ? 0.2397 0.3010 0.3102 -0.0988 -0.0514 -0.0261 30 SER H N 205 C CA . SER A 30 ? 0.4160 0.5182 0.5048 -0.0978 -0.0608 -0.0174 30 SER H CA 206 C C . SER A 30 ? 0.3695 0.4790 0.4898 -0.0963 -0.0489 -0.0005 30 SER H C 207 O O . SER A 30 ? 0.3962 0.5367 0.5335 -0.0905 -0.0519 0.0120 30 SER H O 208 C CB . SER A 30 ? 0.2496 0.3831 0.3521 -0.1134 -0.0795 -0.0352 30 SER H CB 209 O OG . SER A 30 ? 0.4308 0.5615 0.4995 -0.1125 -0.0893 -0.0508 30 SER H OG 210 N N . ASP A 31 ? 0.2870 0.3693 0.4158 -0.0998 -0.0337 0.0020 31 ASP H N 211 C CA . ASP A 31 ? 0.2842 0.3727 0.4405 -0.0975 -0.0191 0.0187 31 ASP H CA 212 C C . ASP A 31 ? 0.3604 0.4334 0.4931 -0.0789 -0.0045 0.0330 31 ASP H C 213 O O . ASP A 31 ? 0.3660 0.4467 0.5151 -0.0730 0.0090 0.0468 31 ASP H O 214 C CB . ASP A 31 ? 0.3322 0.4044 0.5148 -0.1110 -0.0083 0.0172 31 ASP H CB 215 C CG . ASP A 31 ? 0.3469 0.4407 0.5659 -0.1325 -0.0215 0.0014 31 ASP H CG 216 O OD1 . ASP A 31 ? 0.4227 0.5568 0.6573 -0.1358 -0.0370 -0.0009 31 ASP H OD1 217 O OD2 . ASP A 31 ? 0.3039 0.3754 0.5378 -0.1461 -0.0163 -0.0088 31 ASP H OD2 218 N N . SER A 32 ? 0.2504 0.3032 0.3461 -0.0701 -0.0066 0.0280 32 SER H N 219 C CA . SER A 32 ? 0.2763 0.3133 0.3490 -0.0553 0.0057 0.0359 32 SER H CA 220 C C . SER A 32 ? 0.3426 0.3777 0.3918 -0.0455 -0.0002 0.0328 32 SER H C 221 O O . SER A 32 ? 0.2864 0.3273 0.3283 -0.0485 -0.0131 0.0256 32 SER H O 222 C CB . SER A 32 ? 0.2182 0.2269 0.2725 -0.0545 0.0145 0.0353 32 SER H CB 223 O OG . SER A 32 ? 0.2294 0.2365 0.3066 -0.0607 0.0258 0.0435 32 SER H OG 224 N N . TYR A 33 ? 0.4273 0.4540 0.4656 -0.0341 0.0109 0.0378 33 TYR H N 225 C CA . TYR A 33 ? 0.3481 0.3639 0.3650 -0.0263 0.0093 0.0332 33 TYR H CA 226 C C . TYR A 33 ? 0.3135 0.3082 0.3052 -0.0281 0.0074 0.0248 33 TYR H C 227 O O . TYR A 33 ? 0.2861 0.2728 0.2756 -0.0313 0.0114 0.0260 33 TYR H O 228 C CB . TYR A 33 ? 0.2014 0.2125 0.2177 -0.0156 0.0233 0.0366 33 TYR H CB 229 C CG . TYR A 33 ? 0.2471 0.2766 0.2889 -0.0092 0.0271 0.0467 33 TYR H CG 230 C CD1 . TYR A 33 ? 0.1983 0.2509 0.2688 -0.0112 0.0286 0.0568 33 TYR H CD1 231 C CD2 . TYR A 33 ? 0.2004 0.2247 0.2421 -0.0005 0.0306 0.0478 33 TYR H CD2 232 C CE1 . TYR A 33 ? 0.2504 0.3241 0.3478 -0.0031 0.0321 0.0689 33 TYR H CE1 233 C CE2 . TYR A 33 ? 0.2178 0.2584 0.2859 0.0082 0.0362 0.0609 33 TYR H CE2 234 C CZ . TYR A 33 ? 0.2618 0.3286 0.3570 0.0078 0.0363 0.0720 33 TYR H CZ 235 O OH . TYR A 33 ? 0.2015 0.2889 0.3265 0.0185 0.0417 0.0878 33 TYR H OH 236 N N . TRP A 34 ? 0.3260 0.3129 0.3022 -0.0250 0.0025 0.0189 34 TRP H N 237 C CA . TRP A 34 ? 0.2810 0.2526 0.2375 -0.0253 0.0002 0.0123 34 TRP H CA 238 C C . TRP A 34 ? 0.2583 0.2230 0.2030 -0.0198 0.0015 0.0070 34 TRP H C 239 O O . TRP A 34 ? 0.3603 0.3286 0.3122 -0.0175 0.0015 0.0078 34 TRP H O 240 C CB . TRP A 34 ? 0.3277 0.2982 0.2828 -0.0313 -0.0091 0.0075 34 TRP H CB 241 C CG . TRP A 34 ? 0.3226 0.2963 0.2923 -0.0397 -0.0101 0.0079 34 TRP H CG 242 C CD1 . TRP A 34 ? 0.2676 0.2587 0.2542 -0.0465 -0.0163 0.0068 34 TRP H CD1 243 C CD2 . TRP A 34 ? 0.2969 0.2575 0.2691 -0.0427 -0.0042 0.0098 34 TRP H CD2 244 N NE1 . TRP A 34 ? 0.2945 0.2828 0.2968 -0.0561 -0.0150 0.0045 34 TRP H NE1 245 C CE2 . TRP A 34 ? 0.3090 0.2761 0.3037 -0.0533 -0.0059 0.0078 34 TRP H CE2 246 C CE3 . TRP A 34 ? 0.2614 0.2077 0.2210 -0.0369 0.0024 0.0144 34 TRP H CE3 247 C CZ2 . TRP A 34 ? 0.3367 0.2909 0.3449 -0.0591 0.0017 0.0104 34 TRP H CZ2 248 C CZ3 . TRP A 34 ? 0.3630 0.2987 0.3329 -0.0398 0.0097 0.0206 34 TRP H CZ3 249 C CH2 . TRP A 34 ? 0.3563 0.2933 0.3520 -0.0512 0.0107 0.0186 34 TRP H CH2 250 N N . SER A 35 ? 0.2597 0.2165 0.1889 -0.0177 0.0028 0.0026 35 SER H N 251 C CA . SER A 35 ? 0.2694 0.2224 0.1908 -0.0153 0.0027 -0.0061 35 SER H CA 252 C C . SER A 35 ? 0.2725 0.2238 0.1839 -0.0159 -0.0048 -0.0101 35 SER H C 253 O O . SER A 35 ? 0.2169 0.1674 0.1224 -0.0154 -0.0070 -0.0054 35 SER H O 254 C CB . SER A 35 ? 0.2671 0.2193 0.1792 -0.0115 0.0108 -0.0112 35 SER H CB 255 O OG . SER A 35 ? 0.3495 0.3023 0.2749 -0.0091 0.0204 -0.0086 35 SER H OG 256 N N . TRP A 36 ? 0.2605 0.2113 0.1749 -0.0167 -0.0071 -0.0174 36 TRP H N 257 C CA . TRP A 36 ? 0.3052 0.2593 0.2147 -0.0168 -0.0138 -0.0216 36 TRP H CA 258 C C . TRP A 36 ? 0.3083 0.2675 0.2121 -0.0175 -0.0149 -0.0336 36 TRP H C 259 O O . TRP A 36 ? 0.3916 0.3461 0.3030 -0.0198 -0.0095 -0.0421 36 TRP H O 260 C CB . TRP A 36 ? 0.2379 0.1915 0.1592 -0.0186 -0.0155 -0.0211 36 TRP H CB 261 C CG . TRP A 36 ? 0.2238 0.1759 0.1434 -0.0177 -0.0173 -0.0146 36 TRP H CG 262 C CD1 . TRP A 36 ? 0.2988 0.2504 0.2208 -0.0188 -0.0160 -0.0105 36 TRP H CD1 263 C CD2 . TRP A 36 ? 0.2639 0.2157 0.1798 -0.0153 -0.0203 -0.0132 36 TRP H CD2 264 N NE1 . TRP A 36 ? 0.3362 0.2854 0.2541 -0.0190 -0.0181 -0.0107 36 TRP H NE1 265 C CE2 . TRP A 36 ? 0.3198 0.2664 0.2353 -0.0162 -0.0191 -0.0115 36 TRP H CE2 266 C CE3 . TRP A 36 ? 0.2979 0.2553 0.2118 -0.0118 -0.0238 -0.0130 36 TRP H CE3 267 C CZ2 . TRP A 36 ? 0.3583 0.2993 0.2727 -0.0136 -0.0185 -0.0114 36 TRP H CZ2 268 C CZ3 . TRP A 36 ? 0.4222 0.3767 0.3372 -0.0075 -0.0235 -0.0083 36 TRP H CZ3 269 C CH2 . TRP A 36 ? 0.3928 0.3362 0.3085 -0.0084 -0.0195 -0.0084 36 TRP H CH2 270 N N . ILE A 37 ? 0.2433 0.2130 0.1345 -0.0150 -0.0217 -0.0346 37 ILE H N 271 C CA . ILE A 37 ? 0.2457 0.2272 0.1286 -0.0165 -0.0265 -0.0489 37 ILE H CA 272 C C . ILE A 37 ? 0.2499 0.2472 0.1384 -0.0170 -0.0378 -0.0502 37 ILE H C 273 O O . ILE A 37 ? 0.3054 0.3040 0.1970 -0.0124 -0.0398 -0.0369 37 ILE H O 274 C CB . ILE A 37 ? 0.2657 0.2553 0.1229 -0.0106 -0.0249 -0.0476 37 ILE H CB 275 C CG1 . ILE A 37 ? 0.2660 0.2425 0.1217 -0.0088 -0.0119 -0.0423 37 ILE H CG1 276 C CG2 . ILE A 37 ? 0.2889 0.2934 0.1331 -0.0130 -0.0308 -0.0675 37 ILE H CG2 277 C CD1 . ILE A 37 ? 0.2896 0.2599 0.1502 -0.0059 -0.0082 -0.0230 37 ILE H CD1 278 N N . ARG A 38 ? 0.2559 0.2657 0.1491 -0.0228 -0.0444 -0.0672 38 ARG H N 279 C CA . ARG A 38 ? 0.3289 0.3607 0.2320 -0.0236 -0.0564 -0.0684 38 ARG H CA 280 C C . ARG A 38 ? 0.4178 0.4747 0.3111 -0.0275 -0.0681 -0.0871 38 ARG H C 281 O O . ARG A 38 ? 0.3959 0.4475 0.2811 -0.0333 -0.0649 -0.1059 38 ARG H O 282 C CB . ARG A 38 ? 0.3272 0.3531 0.2620 -0.0302 -0.0538 -0.0697 38 ARG H CB 283 C CG . ARG A 38 ? 0.3424 0.3635 0.2968 -0.0420 -0.0509 -0.0895 38 ARG H CG 284 C CD . ARG A 38 ? 0.2715 0.2896 0.2598 -0.0471 -0.0462 -0.0856 38 ARG H CD 285 N NE . ARG A 38 ? 0.3185 0.3329 0.3332 -0.0596 -0.0427 -0.1042 38 ARG H NE 286 C CZ . ARG A 38 ? 0.3123 0.3243 0.3622 -0.0660 -0.0362 -0.1022 38 ARG H CZ 287 N NH1 . ARG A 38 ? 0.2257 0.2407 0.2838 -0.0598 -0.0327 -0.0829 38 ARG H NH1 288 N NH2 . ARG A 38 ? 0.3068 0.3124 0.3850 -0.0786 -0.0311 -0.1199 38 ARG H NH2 289 N N . ARG A 39 ? 0.3520 0.4383 0.2464 -0.0238 -0.0817 -0.0825 39 ARG H N 290 C CA . ARG A 39 ? 0.3716 0.4848 0.2598 -0.0273 -0.0945 -0.0966 39 ARG H CA 291 C C . ARG A 39 ? 0.4447 0.5807 0.3663 -0.0344 -0.1057 -0.1020 39 ARG H C 292 O O . ARG A 39 ? 0.4917 0.6519 0.4203 -0.0261 -0.1144 -0.0865 39 ARG H O 293 C CB . ARG A 39 ? 0.3320 0.4629 0.1902 -0.0136 -0.0994 -0.0798 39 ARG H CB 294 C CG . ARG A 39 ? 0.4622 0.6164 0.3091 -0.0160 -0.1101 -0.0919 39 ARG H CG 295 C CD . ARG A 39 ? 0.5988 0.7689 0.4147 -0.0012 -0.1118 -0.0728 39 ARG H CD 296 N NE . ARG A 39 ? 0.7231 0.8722 0.5243 0.0088 -0.0976 -0.0528 39 ARG H NE 297 C CZ . ARG A 39 ? 0.7890 0.9345 0.5614 0.0168 -0.0892 -0.0441 39 ARG H CZ 298 N NH1 . ARG A 39 ? 0.8625 1.0247 0.6135 0.0169 -0.0940 -0.0543 39 ARG H NH1 299 N NH2 . ARG A 39 ? 0.7823 0.9090 0.5483 0.0243 -0.0755 -0.0253 39 ARG H NH2 300 N N . SER A 40 ? 0.4361 0.5641 0.3822 -0.0491 -0.1036 -0.1225 40 SER H N 301 C CA . SER A 40 ? 0.4515 0.6011 0.4351 -0.0583 -0.1123 -0.1291 40 SER H CA 302 C C . SER A 40 ? 0.6033 0.7801 0.5816 -0.0623 -0.1267 -0.1408 40 SER H C 303 O O . SER A 40 ? 0.7495 0.9166 0.7097 -0.0670 -0.1251 -0.1576 40 SER H O 304 C CB . SER A 40 ? 0.4610 0.5869 0.4791 -0.0728 -0.1002 -0.1432 40 SER H CB 305 O OG . SER A 40 ? 0.4849 0.5860 0.5094 -0.0694 -0.0864 -0.1314 40 SER H OG 306 N N . PRO A 41 ? 0.7429 0.9559 0.7380 -0.0597 -0.1410 -0.1324 41 PRO H N 307 C CA . PRO A 41 ? 0.7392 0.9839 0.7298 -0.0631 -0.1575 -0.1426 41 PRO H CA 308 C C . PRO A 41 ? 0.7628 0.9982 0.7665 -0.0815 -0.1569 -0.1726 41 PRO H C 309 O O . PRO A 41 ? 0.8216 1.0702 0.8039 -0.0841 -0.1661 -0.1874 41 PRO H O 310 C CB . PRO A 41 ? 0.7268 1.0080 0.7515 -0.0604 -0.1694 -0.1290 41 PRO H CB 311 C CG . PRO A 41 ? 0.7093 0.9740 0.7680 -0.0634 -0.1568 -0.1224 41 PRO H CG 312 C CD . PRO A 41 ? 0.7391 0.9656 0.7698 -0.0573 -0.1413 -0.1180 41 PRO H CD 313 N N . GLY A 42 ? 0.7216 0.9342 0.7609 -0.0935 -0.1449 -0.1808 42 GLY H N 314 C CA . GLY A 42 ? 0.7714 0.9692 0.8290 -0.1103 -0.1401 -0.2071 42 GLY H CA 315 C C . GLY A 42 ? 0.8718 1.0388 0.8972 -0.1090 -0.1289 -0.2206 42 GLY H C 316 O O . GLY A 42 ? 0.9152 1.0759 0.9441 -0.1200 -0.1281 -0.2452 42 GLY H O 317 N N . LYS A 43 ? 0.9373 1.0858 0.9332 -0.0957 -0.1196 -0.2051 43 LYS H N 318 C CA . LYS A 43 ? 0.9573 1.0780 0.9245 -0.0925 -0.1074 -0.2145 43 LYS H CA 319 C C . LYS A 43 ? 1.0121 1.1381 0.9348 -0.0759 -0.1090 -0.1970 43 LYS H C 320 O O . LYS A 43 ? 1.0733 1.2269 0.9855 -0.0672 -0.1211 -0.1803 43 LYS H O 321 C CB . LYS A 43 ? 0.8241 0.9054 0.8135 -0.0957 -0.0865 -0.2137 43 LYS H CB 322 C CG . LYS A 43 ? 0.7825 0.8522 0.8162 -0.1111 -0.0795 -0.2300 43 LYS H CG 323 C CD . LYS A 43 ? 0.7203 0.7521 0.7760 -0.1109 -0.0571 -0.2231 43 LYS H CD 324 C CE . LYS A 43 ? 0.7074 0.7260 0.8097 -0.1246 -0.0469 -0.2356 43 LYS H CE 325 N NZ . LYS A 43 ? 0.6773 0.6606 0.8027 -0.1218 -0.0236 -0.2236 43 LYS H NZ 326 N N . GLY A 44 ? 0.9345 1.0368 0.8322 -0.0710 -0.0964 -0.2008 44 GLY H N 327 C CA . GLY A 44 ? 0.8864 0.9915 0.7447 -0.0561 -0.0945 -0.1838 44 GLY H CA 328 C C . GLY A 44 ? 0.8357 0.9209 0.6924 -0.0474 -0.0825 -0.1624 44 GLY H C 329 O O . GLY A 44 ? 0.8682 0.9430 0.7532 -0.0512 -0.0790 -0.1564 44 GLY H O 330 N N . LEU A 45 ? 0.6947 0.7759 0.5186 -0.0360 -0.0759 -0.1510 45 LEU H N 331 C CA . LEU A 45 ? 0.5389 0.6030 0.3595 -0.0284 -0.0645 -0.1320 45 LEU H CA 332 C C . LEU A 45 ? 0.5972 0.6306 0.4352 -0.0343 -0.0491 -0.1433 45 LEU H C 333 O O . LEU A 45 ? 0.6038 0.6244 0.4307 -0.0338 -0.0388 -0.1559 45 LEU H O 334 C CB . LEU A 45 ? 0.3991 0.4687 0.1836 -0.0157 -0.0594 -0.1173 45 LEU H CB 335 C CG . LEU A 45 ? 0.5231 0.5873 0.3030 -0.0060 -0.0524 -0.0910 45 LEU H CG 336 C CD1 . LEU A 45 ? 0.4965 0.5724 0.2946 -0.0046 -0.0630 -0.0766 45 LEU H CD1 337 C CD2 . LEU A 45 ? 0.5355 0.6091 0.2842 0.0058 -0.0469 -0.0747 45 LEU H CD2 338 N N . GLU A 46 ? 0.5422 0.5647 0.4084 -0.0388 -0.0463 -0.1380 46 GLU H N 339 C CA . GLU A 46 ? 0.4822 0.4768 0.3705 -0.0440 -0.0308 -0.1454 46 GLU H CA 340 C C . GLU A 46 ? 0.4205 0.3993 0.3134 -0.0369 -0.0209 -0.1209 46 GLU H C 341 O O . GLU A 46 ? 0.3220 0.3070 0.2168 -0.0330 -0.0268 -0.1016 46 GLU H O 342 C CB . GLU A 46 ? 0.4668 0.4559 0.3933 -0.0556 -0.0317 -0.1556 46 GLU H CB 343 C CG . GLU A 46 ? 0.6045 0.6043 0.5506 -0.0579 -0.0393 -0.1432 46 GLU H CG 344 C CD . GLU A 46 ? 0.6927 0.6882 0.6799 -0.0695 -0.0370 -0.1520 46 GLU H CD 345 O OE1 . GLU A 46 ? 0.6185 0.6364 0.6162 -0.0751 -0.0494 -0.1582 46 GLU H OE1 346 O OE2 . GLU A 46 ? 0.7662 0.7366 0.7773 -0.0722 -0.0214 -0.1495 46 GLU H OE2 347 N N . TRP A 47 ? 0.3665 0.3250 0.2638 -0.0344 -0.0055 -0.1207 47 TRP H N 348 C CA . TRP A 47 ? 0.3143 0.2612 0.2202 -0.0280 0.0031 -0.0973 47 TRP H CA 349 C C . TRP A 47 ? 0.3140 0.2507 0.2510 -0.0316 0.0060 -0.0895 47 TRP H C 350 O O . TRP A 47 ? 0.4462 0.3695 0.4052 -0.0359 0.0150 -0.0994 47 TRP H O 351 C CB . TRP A 47 ? 0.3982 0.3330 0.3011 -0.0227 0.0186 -0.0989 47 TRP H CB 352 C CG . TRP A 47 ? 0.4214 0.3535 0.3304 -0.0159 0.0248 -0.0754 47 TRP H CG 353 C CD1 . TRP A 47 ? 0.3918 0.3305 0.3022 -0.0149 0.0171 -0.0569 47 TRP H CD1 354 C CD2 . TRP A 47 ? 0.4178 0.3421 0.3350 -0.0097 0.0397 -0.0698 47 TRP H CD2 355 N NE1 . TRP A 47 ? 0.3262 0.2639 0.2452 -0.0105 0.0242 -0.0420 47 TRP H NE1 356 C CE2 . TRP A 47 ? 0.3485 0.2793 0.2734 -0.0066 0.0379 -0.0476 47 TRP H CE2 357 C CE3 . TRP A 47 ? 0.3103 0.2234 0.2313 -0.0064 0.0553 -0.0826 47 TRP H CE3 358 C CZ2 . TRP A 47 ? 0.2670 0.1983 0.2056 -0.0007 0.0490 -0.0358 47 TRP H CZ2 359 C CZ3 . TRP A 47 ? 0.3536 0.2644 0.2880 0.0016 0.0689 -0.0692 47 TRP H CZ3 360 C CH2 . TRP A 47 ? 0.2846 0.2068 0.2288 0.0043 0.0647 -0.0450 47 TRP H CH2 361 N N . ILE A 48 ? 0.2636 0.2056 0.2025 -0.0292 0.0003 -0.0715 48 ILE H N 362 C CA . ILE A 48 ? 0.2831 0.2197 0.2455 -0.0307 0.0035 -0.0618 48 ILE H CA 363 C C . ILE A 48 ? 0.2933 0.2202 0.2666 -0.0251 0.0146 -0.0478 48 ILE H C 364 O O . ILE A 48 ? 0.2341 0.1517 0.2304 -0.0252 0.0241 -0.0441 48 ILE H O 365 C CB . ILE A 48 ? 0.2717 0.2189 0.2295 -0.0293 -0.0056 -0.0504 48 ILE H CB 366 C CG1 . ILE A 48 ? 0.2501 0.2115 0.2022 -0.0326 -0.0167 -0.0606 48 ILE H CG1 367 C CG2 . ILE A 48 ? 0.3223 0.2662 0.2999 -0.0294 -0.0003 -0.0400 48 ILE H CG2 368 C CD1 . ILE A 48 ? 0.3492 0.3196 0.3011 -0.0295 -0.0229 -0.0497 48 ILE H CD1 369 N N . GLY A 49 ? 0.3710 0.3022 0.3309 -0.0200 0.0138 -0.0382 49 GLY H N 370 C CA . GLY A 49 ? 0.3320 0.2620 0.3032 -0.0144 0.0214 -0.0240 49 GLY H CA 371 C C . GLY A 49 ? 0.3244 0.2647 0.2839 -0.0121 0.0165 -0.0146 49 GLY H C 372 O O . GLY A 49 ? 0.3809 0.3251 0.3239 -0.0144 0.0092 -0.0174 49 GLY H O 373 N N . TYR A 50 ? 0.2788 0.2247 0.2507 -0.0076 0.0212 -0.0022 50 TYR H N 374 C CA . TYR A 50 ? 0.2832 0.2417 0.2522 -0.0079 0.0162 0.0061 50 TYR H CA 375 C C . TYR A 50 ? 0.3040 0.2773 0.2852 -0.0058 0.0120 0.0198 50 TYR H C 376 O O . TYR A 50 ? 0.3380 0.3122 0.3320 -0.0005 0.0169 0.0278 50 TYR H O 377 C CB . TYR A 50 ? 0.2487 0.2078 0.2209 -0.0047 0.0256 0.0063 50 TYR H CB 378 C CG . TYR A 50 ? 0.2905 0.2481 0.2835 0.0027 0.0383 0.0117 50 TYR H CG 379 C CD1 . TYR A 50 ? 0.2810 0.2553 0.2949 0.0074 0.0390 0.0280 50 TYR H CD1 380 C CD2 . TYR A 50 ? 0.2800 0.2207 0.2744 0.0052 0.0499 -0.0003 50 TYR H CD2 381 C CE1 . TYR A 50 ? 0.2405 0.2143 0.2774 0.0169 0.0524 0.0364 50 TYR H CE1 382 C CE2 . TYR A 50 ? 0.2989 0.2339 0.3163 0.0133 0.0649 0.0046 50 TYR H CE2 383 C CZ . TYR A 50 ? 0.2767 0.2280 0.3159 0.0203 0.0668 0.0250 50 TYR H CZ 384 O OH . TYR A 50 ? 0.3505 0.2970 0.4164 0.0309 0.0834 0.0333 50 TYR H OH 385 N N . VAL A 51 ? 0.3502 0.3364 0.3284 -0.0100 0.0031 0.0225 51 VAL H N 392 N N . HIS A 52 ? 0.3524 0.3331 0.3236 -0.0370 -0.0511 -0.0300 52 HIS H N 393 C CA . HIS A 52 ? 0.3860 0.3620 0.3742 -0.0394 -0.0600 -0.0337 52 HIS H CA 394 C C . HIS A 52 ? 0.2961 0.2840 0.2798 -0.0325 -0.0700 -0.0423 52 HIS H C 395 O O . HIS A 52 ? 0.3709 0.3731 0.3388 -0.0267 -0.0670 -0.0405 52 HIS H O 396 C CB . HIS A 52 ? 0.3644 0.3362 0.3646 -0.0464 -0.0535 -0.0216 52 HIS H CB 397 C CG . HIS A 52 ? 0.3516 0.3182 0.3745 -0.0501 -0.0611 -0.0217 52 HIS H CG 398 N ND1 . HIS A 52 ? 0.3426 0.3142 0.3737 -0.0512 -0.0649 -0.0191 52 HIS H ND1 399 C CD2 . HIS A 52 ? 0.3700 0.3276 0.4125 -0.0530 -0.0660 -0.0225 52 HIS H CD2 400 C CE1 . HIS A 52 ? 0.2926 0.2584 0.3478 -0.0548 -0.0720 -0.0184 52 HIS H CE1 401 N NE2 . HIS A 52 ? 0.2902 0.2476 0.3540 -0.0560 -0.0728 -0.0198 52 HIS H NE2 402 N N . LYS A 53 ? 0.3235 0.3071 0.3231 -0.0325 -0.0826 -0.0510 53 LYS H N 403 C CA . LYS A 53 ? 0.3258 0.3207 0.3216 -0.0242 -0.0949 -0.0624 53 LYS H CA 404 C C . LYS A 53 ? 0.2691 0.2752 0.2613 -0.0249 -0.0909 -0.0532 53 LYS H C 405 O O . LYS A 53 ? 0.4044 0.4267 0.3833 -0.0159 -0.0952 -0.0579 53 LYS H O 406 C CB . LYS A 53 ? 0.3050 0.2903 0.3243 -0.0248 -0.1115 -0.0744 53 LYS H CB 407 C CG . LYS A 53 ? 0.3036 0.2786 0.3502 -0.0357 -0.1106 -0.0632 53 LYS H CG 408 C CD . LYS A 53 ? 0.3747 0.3407 0.4507 -0.0364 -0.1285 -0.0736 53 LYS H CD 409 C CE . LYS A 53 ? 0.3912 0.3500 0.4974 -0.0469 -0.1265 -0.0587 53 LYS H CE 410 N NZ . LYS A 53 ? 0.4598 0.4103 0.6015 -0.0483 -0.1453 -0.0666 53 LYS H NZ 411 N N . SER A 54 ? 0.3627 0.3617 0.3668 -0.0343 -0.0826 -0.0397 54 SER H N 412 C CA . SER A 54 ? 0.4040 0.4116 0.4086 -0.0358 -0.0792 -0.0306 54 SER H CA 413 C C . SER A 54 ? 0.4366 0.4576 0.4225 -0.0319 -0.0693 -0.0225 54 SER H C 414 O O . SER A 54 ? 0.4143 0.4463 0.3987 -0.0307 -0.0677 -0.0158 54 SER H O 415 C CB . SER A 54 ? 0.3733 0.3707 0.3953 -0.0453 -0.0723 -0.0184 54 SER H CB 416 O OG . SER A 54 ? 0.3664 0.3577 0.3828 -0.0485 -0.0600 -0.0103 54 SER H OG 417 N N . GLY A 55 ? 0.3904 0.4110 0.3648 -0.0300 -0.0630 -0.0219 55 GLY H N 418 C CA . GLY A 55 ? 0.2423 0.2745 0.2050 -0.0274 -0.0536 -0.0116 55 GLY H CA 419 C C . GLY A 55 ? 0.2720 0.2934 0.2412 -0.0354 -0.0430 -0.0004 55 GLY H C 420 O O . GLY A 55 ? 0.3468 0.3750 0.3133 -0.0350 -0.0360 0.0096 55 GLY H O 421 N N . ASP A 56 ? 0.2662 0.2719 0.2460 -0.0417 -0.0425 -0.0017 56 ASP H N 422 C CA . ASP A 56 ? 0.3230 0.3188 0.3064 -0.0465 -0.0337 0.0057 56 ASP H CA 423 C C . ASP A 56 ? 0.3305 0.3231 0.3047 -0.0448 -0.0308 0.0028 56 ASP H C 424 O O . ASP A 56 ? 0.3381 0.3223 0.3133 -0.0455 -0.0329 -0.0034 56 ASP H O 425 C CB . ASP A 56 ? 0.3173 0.3022 0.3141 -0.0512 -0.0337 0.0066 56 ASP H CB 426 C CG . ASP A 56 ? 0.3348 0.3138 0.3341 -0.0534 -0.0251 0.0142 56 ASP H CG 427 O OD1 . ASP A 56 ? 0.4940 0.4738 0.4861 -0.0522 -0.0206 0.0165 56 ASP H OD1 428 O OD2 . ASP A 56 ? 0.3346 0.3094 0.3443 -0.0554 -0.0234 0.0180 56 ASP H OD2 429 N N . THR A 57 ? 0.3065 0.3064 0.2745 -0.0427 -0.0262 0.0086 57 THR H N 430 C CA . THR A 57 ? 0.3225 0.3222 0.2825 -0.0405 -0.0238 0.0070 57 THR H CA 431 C C . THR A 57 ? 0.3608 0.3620 0.3240 -0.0416 -0.0178 0.0168 57 THR H C 432 O O . THR A 57 ? 0.3951 0.4070 0.3628 -0.0406 -0.0166 0.0255 57 THR H O 433 C CB . THR A 57 ? 0.4042 0.4179 0.3533 -0.0328 -0.0280 0.0022 57 THR H CB 434 O OG1 . THR A 57 ? 0.5322 0.5435 0.4812 -0.0309 -0.0365 -0.0093 57 THR H OG1 435 C CG2 . THR A 57 ? 0.3575 0.3712 0.2990 -0.0303 -0.0251 0.0010 57 THR H CG2 436 N N . ASN A 58 ? 0.2240 0.2148 0.1870 -0.0435 -0.0149 0.0156 58 ASN H N 437 C CA . ASN A 58 ? 0.3463 0.3368 0.3156 -0.0443 -0.0116 0.0229 58 ASN H CA 438 C C . ASN A 58 ? 0.3040 0.2900 0.2689 -0.0436 -0.0102 0.0204 58 ASN H C 439 O O . ASN A 58 ? 0.2667 0.2448 0.2247 -0.0438 -0.0106 0.0126 58 ASN H O 440 C CB . ASN A 58 ? 0.3275 0.3083 0.3063 -0.0472 -0.0107 0.0244 58 ASN H CB 441 C CG . ASN A 58 ? 0.2496 0.2368 0.2361 -0.0478 -0.0115 0.0300 58 ASN H CG 442 O OD1 . ASN A 58 ? 0.1980 0.1955 0.1916 -0.0470 -0.0115 0.0387 58 ASN H OD1 443 N ND2 . ASN A 58 ? 0.2098 0.1922 0.1969 -0.0491 -0.0120 0.0269 58 ASN H ND2 444 N N . TYR A 59 ? 0.2568 0.2482 0.2284 -0.0430 -0.0089 0.0282 59 TYR H N 445 C CA . TYR A 59 ? 0.2745 0.2633 0.2442 -0.0423 -0.0079 0.0275 59 TYR H CA 446 C C . TYR A 59 ? 0.3497 0.3287 0.3320 -0.0447 -0.0087 0.0295 59 TYR H C 447 O O . TYR A 59 ? 0.4382 0.4157 0.4330 -0.0461 -0.0104 0.0334 59 TYR H O 448 C CB . TYR A 59 ? 0.2530 0.2596 0.2221 -0.0380 -0.0064 0.0360 59 TYR H CB 449 C CG . TYR A 59 ? 0.2708 0.2900 0.2264 -0.0326 -0.0072 0.0325 59 TYR H CG 450 C CD1 . TYR A 59 ? 0.3514 0.3619 0.2964 -0.0325 -0.0101 0.0194 59 TYR H CD1 451 C CD2 . TYR A 59 ? 0.3497 0.3912 0.3053 -0.0265 -0.0059 0.0425 59 TYR H CD2 452 C CE1 . TYR A 59 ? 0.3634 0.3845 0.2984 -0.0264 -0.0135 0.0135 59 TYR H CE1 453 C CE2 . TYR A 59 ? 0.3623 0.4169 0.3039 -0.0190 -0.0081 0.0369 59 TYR H CE2 454 C CZ . TYR A 59 ? 0.3092 0.3523 0.2406 -0.0190 -0.0128 0.0209 59 TYR H CZ 455 O OH . TYR A 59 ? 0.3852 0.4404 0.3049 -0.0106 -0.0176 0.0128 59 TYR H OH 456 N N . SER A 60 ? 0.4548 0.4273 0.4347 -0.0445 -0.0087 0.0257 60 SER H N 457 C CA . SER A 60 ? 0.3466 0.3105 0.3392 -0.0454 -0.0117 0.0258 60 SER H CA 458 C C . SER A 60 ? 0.3460 0.3191 0.3595 -0.0462 -0.0137 0.0386 60 SER H C 459 O O . SER A 60 ? 0.3752 0.3628 0.3901 -0.0450 -0.0111 0.0484 60 SER H O 460 C CB . SER A 60 ? 0.2963 0.2542 0.2823 -0.0446 -0.0116 0.0203 60 SER H CB 461 O OG . SER A 60 ? 0.5101 0.4604 0.5095 -0.0445 -0.0163 0.0192 60 SER H OG 462 N N . PRO A 61 ? 0.3875 0.3534 0.4189 -0.0472 -0.0187 0.0392 61 PRO H N 463 C CA . PRO A 61 ? 0.4607 0.4340 0.5193 -0.0486 -0.0222 0.0528 61 PRO H CA 464 C C . PRO A 61 ? 0.3638 0.3443 0.4322 -0.0487 -0.0221 0.0615 61 PRO H C 465 O O . PRO A 61 ? 0.3235 0.3199 0.4088 -0.0487 -0.0207 0.0783 61 PRO H O 466 C CB . PRO A 61 ? 0.3849 0.3435 0.4598 -0.0484 -0.0303 0.0453 61 PRO H CB 467 C CG . PRO A 61 ? 0.3490 0.2991 0.4029 -0.0462 -0.0283 0.0320 61 PRO H CG 468 C CD . PRO A 61 ? 0.3690 0.3209 0.3977 -0.0458 -0.0220 0.0273 61 PRO H CD 469 N N . SER A 62 ? 0.3179 0.2889 0.3764 -0.0480 -0.0231 0.0517 62 SER H N 470 C CA . SER A 62 ? 0.3589 0.3353 0.4277 -0.0482 -0.0236 0.0593 62 SER H CA 471 C C . SER A 62 ? 0.4194 0.4130 0.4732 -0.0456 -0.0156 0.0672 62 SER H C 472 O O . SER A 62 ? 0.3443 0.3486 0.4089 -0.0447 -0.0144 0.0784 62 SER H O 473 C CB . SER A 62 ? 0.3152 0.2761 0.3783 -0.0477 -0.0279 0.0457 62 SER H CB 474 O OG . SER A 62 ? 0.4639 0.4206 0.4974 -0.0459 -0.0226 0.0343 62 SER H OG 475 N N . LEU A 63 ? 0.3264 0.3235 0.3568 -0.0436 -0.0109 0.0611 63 LEU H N 476 C CA . LEU A 63 ? 0.3443 0.3567 0.3578 -0.0389 -0.0052 0.0640 63 LEU H CA 477 C C . LEU A 63 ? 0.3244 0.3539 0.3330 -0.0353 -0.0024 0.0708 63 LEU H C 478 O O . LEU A 63 ? 0.2656 0.3116 0.2609 -0.0290 0.0013 0.0733 63 LEU H O 479 C CB . LEU A 63 ? 0.3375 0.3384 0.3269 -0.0381 -0.0043 0.0476 63 LEU H CB 480 C CG . LEU A 63 ? 0.3679 0.3568 0.3575 -0.0396 -0.0058 0.0416 63 LEU H CG 481 C CD1 . LEU A 63 ? 0.2007 0.1785 0.1698 -0.0390 -0.0048 0.0271 63 LEU H CD1 482 C CD2 . LEU A 63 ? 0.1997 0.2020 0.1964 -0.0370 -0.0037 0.0526 63 LEU H CD2 483 N N . LYS A 64 ? 0.2797 0.3061 0.2986 -0.0381 -0.0045 0.0730 64 LYS H N 484 C CA . LYS A 64 ? 0.2702 0.3113 0.2838 -0.0349 -0.0025 0.0779 64 LYS H CA 485 C C . LYS A 64 ? 0.2796 0.3493 0.2970 -0.0280 0.0017 0.0951 64 LYS H C 486 O O . LYS A 64 ? 0.2623 0.3477 0.2647 -0.0215 0.0037 0.0949 64 LYS H O 487 C CB . LYS A 64 ? 0.2429 0.2776 0.2728 -0.0393 -0.0055 0.0811 64 LYS H CB 488 C CG . LYS A 64 ? 0.2433 0.2785 0.3051 -0.0423 -0.0085 0.0948 64 LYS H CG 489 C CD . LYS A 64 ? 0.2444 0.2750 0.3226 -0.0453 -0.0119 0.0976 64 LYS H CD 490 C CE . LYS A 64 ? 0.2458 0.2732 0.3603 -0.0484 -0.0177 0.1087 64 LYS H CE 491 N NZ . LYS A 64 ? 0.2472 0.2709 0.3797 -0.0505 -0.0216 0.1117 64 LYS H NZ 492 N N . SER A 65 ? 0.2145 0.2927 0.2532 -0.0282 0.0026 0.1104 65 SER H N 493 C CA . SER A 65 ? 0.2037 0.3131 0.2507 -0.0206 0.0078 0.1315 65 SER H CA 494 C C . SER A 65 ? 0.2694 0.3938 0.2923 -0.0112 0.0121 0.1279 65 SER H C 495 O O . SER A 65 ? 0.2147 0.3692 0.2357 -0.0011 0.0171 0.1425 65 SER H O 496 C CB . SER A 65 ? 0.2125 0.3270 0.2967 -0.0244 0.0067 0.1519 65 SER H CB 497 O OG . SER A 65 ? 0.3254 0.4239 0.4128 -0.0282 0.0041 0.1448 65 SER H OG 498 N N . ARG A 66 ? 0.2101 0.3151 0.2149 -0.0131 0.0102 0.1088 66 ARG H N 499 C CA . ARG A 66 ? 0.2161 0.3328 0.2012 -0.0042 0.0132 0.1043 66 ARG H CA 500 C C . ARG A 66 ? 0.2699 0.3757 0.2265 -0.0012 0.0103 0.0811 66 ARG H C 501 O O . ARG A 66 ? 0.2291 0.3464 0.1680 0.0083 0.0114 0.0751 66 ARG H O 502 C CB . ARG A 66 ? 0.2129 0.3205 0.2076 -0.0079 0.0136 0.1063 66 ARG H CB 503 C CG . ARG A 66 ? 0.3268 0.4429 0.3559 -0.0117 0.0142 0.1288 66 ARG H CG 504 C CD . ARG A 66 ? 0.2067 0.3186 0.2447 -0.0132 0.0143 0.1318 66 ARG H CD 505 N NE . ARG A 66 ? 0.2036 0.2841 0.2360 -0.0213 0.0088 0.1122 66 ARG H NE 506 C CZ . ARG A 66 ? 0.2051 0.2770 0.2209 -0.0200 0.0094 0.1003 66 ARG H CZ 507 N NH1 . ARG A 66 ? 0.2099 0.3008 0.2128 -0.0110 0.0147 0.1044 66 ARG H NH1 508 N NH2 . ARG A 66 ? 0.2996 0.3457 0.3116 -0.0265 0.0048 0.0847 66 ARG H NH2 509 N N . VAL A 67 ? 0.2706 0.3548 0.2250 -0.0087 0.0061 0.0684 67 VAL H N 510 C CA . VAL A 67 ? 0.3216 0.3923 0.2565 -0.0079 0.0022 0.0478 67 VAL H CA 511 C C . VAL A 67 ? 0.2964 0.3758 0.2208 -0.0027 -0.0010 0.0416 67 VAL H C 512 O O . VAL A 67 ? 0.3163 0.4032 0.2491 -0.0039 -0.0006 0.0504 67 VAL H O 513 C CB . VAL A 67 ? 0.3039 0.3456 0.2427 -0.0184 -0.0005 0.0371 67 VAL H CB 514 C CG1 . VAL A 67 ? 0.4781 0.5107 0.4228 -0.0216 0.0010 0.0387 67 VAL H CG1 515 C CG2 . VAL A 67 ? 0.3550 0.3895 0.3075 -0.0250 -0.0015 0.0419 67 VAL H CG2 516 N N . ASN A 68 ? 0.3228 0.4007 0.2306 0.0033 -0.0052 0.0257 68 ASN H N 517 C CA . ASN A 68 ? 0.3898 0.4726 0.2883 0.0085 -0.0111 0.0154 68 ASN H CA 518 C C . ASN A 68 ? 0.3865 0.4481 0.2801 0.0056 -0.0180 -0.0041 68 ASN H C 519 O O . ASN A 68 ? 0.3670 0.4262 0.2530 0.0101 -0.0199 -0.0132 68 ASN H O 520 C CB . ASN A 68 ? 0.4953 0.6085 0.3803 0.0247 -0.0114 0.0173 68 ASN H CB 521 C CG . ASN A 68 ? 0.7510 0.8648 0.6216 0.0335 -0.0212 -0.0032 68 ASN H CG 522 O OD1 . ASN A 68 ? 0.8476 0.9456 0.7223 0.0273 -0.0276 -0.0132 68 ASN H OD1 523 N ND2 . ASN A 68 ? 0.8016 0.9343 0.6567 0.0488 -0.0233 -0.0098 68 ASN H ND2 524 N N . LEU A 69 ? 0.3782 0.4253 0.2788 -0.0019 -0.0218 -0.0090 69 LEU H N 525 C CA . LEU A 69 ? 0.2918 0.3212 0.1935 -0.0048 -0.0290 -0.0244 69 LEU H CA 526 C C . LEU A 69 ? 0.3673 0.4041 0.2658 0.0016 -0.0381 -0.0344 69 LEU H C 527 O O . LEU A 69 ? 0.4546 0.4988 0.3561 0.0008 -0.0379 -0.0284 69 LEU H O 528 C CB . LEU A 69 ? 0.3109 0.3197 0.2254 -0.0170 -0.0267 -0.0214 69 LEU H CB 529 C CG . LEU A 69 ? 0.3319 0.3323 0.2503 -0.0228 -0.0194 -0.0135 69 LEU H CG 530 C CD1 . LEU A 69 ? 0.4244 0.4079 0.3528 -0.0314 -0.0182 -0.0126 69 LEU H CD1 531 C CD2 . LEU A 69 ? 0.3277 0.3257 0.2396 -0.0195 -0.0194 -0.0191 69 LEU H CD2 532 N N . SER A 70 ? 0.2694 0.3040 0.1634 0.0083 -0.0471 -0.0503 70 SER H N 533 C CA . SER A 70 ? 0.3721 0.4139 0.2641 0.0162 -0.0586 -0.0629 70 SER H CA 534 C C . SER A 70 ? 0.4092 0.4315 0.3139 0.0128 -0.0701 -0.0784 70 SER H C 535 O O . SER A 70 ? 0.4846 0.4919 0.3960 0.0077 -0.0691 -0.0805 70 SER H O 536 C CB . SER A 70 ? 0.2967 0.3638 0.1701 0.0338 -0.0616 -0.0687 70 SER H CB 537 O OG . SER A 70 ? 0.5452 0.6101 0.4121 0.0394 -0.0624 -0.0767 70 SER H OG 538 N N . LEU A 71 ? 0.4370 0.4604 0.3478 0.0158 -0.0817 -0.0883 71 LEU H N 539 C CA . LEU A 71 ? 0.4592 0.4654 0.3882 0.0132 -0.0951 -0.1024 71 LEU H CA 540 C C . LEU A 71 ? 0.3244 0.3406 0.2467 0.0289 -0.1112 -0.1235 71 LEU H C 541 O O . LEU A 71 ? 0.4161 0.4507 0.3263 0.0391 -0.1155 -0.1274 71 LEU H O 542 C CB . LEU A 71 ? 0.2967 0.2935 0.2452 0.0026 -0.0974 -0.0965 71 LEU H CB 543 C CG . LEU A 71 ? 0.3166 0.3005 0.2766 -0.0117 -0.0849 -0.0794 71 LEU H CG 544 C CD1 . LEU A 71 ? 0.2909 0.2716 0.2662 -0.0188 -0.0865 -0.0729 71 LEU H CD1 545 C CD2 . LEU A 71 ? 0.2954 0.2624 0.2695 -0.0173 -0.0855 -0.0809 71 LEU H CD2 546 N N . ASP A 72 ? 0.3982 0.4030 0.3287 0.0318 -0.1200 -0.1370 72 ASP H N 547 C CA . ASP A 72 ? 0.3867 0.3978 0.3194 0.0459 -0.1299 -0.1509 72 ASP H CA 548 C C . ASP A 72 ? 0.4073 0.3998 0.3719 0.0405 -0.1429 -0.1584 72 ASP H C 549 O O . ASP A 72 ? 0.3614 0.3388 0.3438 0.0367 -0.1460 -0.1609 72 ASP H O 550 C CB . ASP A 72 ? 0.3615 0.3772 0.2835 0.0556 -0.1265 -0.1555 72 ASP H CB 551 C CG . ASP A 72 ? 0.6716 0.7012 0.5889 0.0746 -0.1352 -0.1694 72 ASP H CG 552 O OD1 . ASP A 72 ? 0.6038 0.6317 0.5340 0.0786 -0.1472 -0.1790 72 ASP H OD1 553 O OD2 . ASP A 72 ? 0.7410 0.7840 0.6426 0.0863 -0.1302 -0.1708 72 ASP H OD2 554 N N . THR A 73 ? 0.3764 0.3713 0.3498 0.0402 -0.1504 -0.1604 73 THR H N 555 C CA . THR A 73 ? 0.4031 0.3823 0.4097 0.0352 -0.1628 -0.1649 73 THR H CA 556 C C . THR A 73 ? 0.4934 0.4683 0.5125 0.0467 -0.1744 -0.1796 73 THR H C 557 O O . THR A 73 ? 0.6055 0.5640 0.6541 0.0406 -0.1808 -0.1793 73 THR H O 558 C CB . THR A 73 ? 0.4190 0.4048 0.4300 0.0364 -0.1698 -0.1664 73 THR H CB 559 O OG1 . THR A 73 ? 0.5348 0.5386 0.5276 0.0546 -0.1755 -0.1790 73 THR H OG1 560 C CG2 . THR A 73 ? 0.4559 0.4477 0.4551 0.0263 -0.1596 -0.1522 73 THR H CG2 561 N N . SER A 74 ? 0.4249 0.4165 0.4232 0.0643 -0.1771 -0.1913 74 SER H N 562 C CA . SER A 74 ? 0.5149 0.5050 0.5237 0.0783 -0.1895 -0.2074 74 SER H CA 563 C C . SER A 74 ? 0.4730 0.4509 0.4910 0.0740 -0.1867 -0.2056 74 SER H C 564 O O . SER A 74 ? 0.5138 0.4797 0.5584 0.0760 -0.1986 -0.2134 74 SER H O 565 C CB . SER A 74 ? 0.4495 0.4637 0.4311 0.0995 -0.1901 -0.2182 74 SER H CB 566 O OG . SER A 74 ? 0.9246 0.9512 0.8994 0.1054 -0.1940 -0.2207 74 SER H OG 567 N N . LYS A 75 ? 0.4199 0.4014 0.4172 0.0684 -0.1715 -0.1949 75 LYS H N 568 C CA . LYS A 75 ? 0.4042 0.3757 0.4069 0.0646 -0.1674 -0.1927 75 LYS H CA 569 C C . LYS A 75 ? 0.4881 0.4420 0.5084 0.0448 -0.1606 -0.1777 75 LYS H C 570 O O . LYS A 75 ? 0.4553 0.3999 0.4822 0.0398 -0.1564 -0.1736 75 LYS H O 571 C CB . LYS A 75 ? 0.4022 0.3895 0.3729 0.0730 -0.1557 -0.1908 75 LYS H CB 572 C CG . LYS A 75 ? 0.7155 0.7231 0.6709 0.0948 -0.1616 -0.2041 75 LYS H CG 573 C CD . LYS A 75 ? 0.7093 0.7326 0.6391 0.1034 -0.1500 -0.2002 75 LYS H CD 574 C CE . LYS A 75 ? 0.8475 0.8915 0.7670 0.1269 -0.1570 -0.2139 75 LYS H CE 575 N NZ . LYS A 75 ? 0.9160 0.9764 0.8148 0.1363 -0.1462 -0.2091 75 LYS H NZ 576 N N . ASN A 76 ? 0.4716 0.4220 0.5000 0.0345 -0.1593 -0.1692 76 ASN H N 577 C CA . ASN A 76 ? 0.4846 0.4212 0.5306 0.0172 -0.1523 -0.1537 76 ASN H CA 578 C C . ASN A 76 ? 0.5269 0.4628 0.5541 0.0117 -0.1380 -0.1449 76 ASN H C 579 O O . ASN A 76 ? 0.5755 0.4993 0.6185 0.0025 -0.1337 -0.1362 76 ASN H O 580 C CB . ASN A 76 ? 0.3589 0.2809 0.4436 0.0128 -0.1614 -0.1522 76 ASN H CB 581 C CG . ASN A 76 ? 0.4019 0.3148 0.5116 -0.0024 -0.1572 -0.1350 76 ASN H CG 582 O OD1 . ASN A 76 ? 0.4249 0.3411 0.5336 -0.0068 -0.1562 -0.1302 76 ASN H OD1 583 N ND2 . ASN A 76 ? 0.3379 0.2411 0.4704 -0.0097 -0.1543 -0.1244 76 ASN H ND2 584 N N . GLN A 77 ? 0.4813 0.4317 0.4760 0.0183 -0.1306 -0.1462 77 GLN H N 585 C CA . GLN A 77 ? 0.4441 0.3953 0.4201 0.0150 -0.1178 -0.1386 77 GLN H CA 586 C C . GLN A 77 ? 0.4107 0.3702 0.3701 0.0095 -0.1060 -0.1255 77 GLN H C 587 O O . GLN A 77 ? 0.4999 0.4717 0.4505 0.0138 -0.1078 -0.1262 77 GLN H O 588 C CB . GLN A 77 ? 0.5218 0.4859 0.4769 0.0291 -0.1161 -0.1463 77 GLN H CB 589 C CG . GLN A 77 ? 0.7409 0.6970 0.7122 0.0344 -0.1242 -0.1558 77 GLN H CG 590 C CD . GLN A 77 ? 0.8172 0.7885 0.7682 0.0501 -0.1232 -0.1637 77 GLN H CD 591 O OE1 . GLN A 77 ? 0.7530 0.7422 0.6786 0.0569 -0.1150 -0.1599 77 GLN H OE1 592 N NE2 . GLN A 77 ? 0.8230 0.7888 0.7874 0.0566 -0.1316 -0.1735 77 GLN H NE2 593 N N . VAL A 78 ? 0.4235 0.3780 0.3810 0.0004 -0.0913 -0.1097 78 VAL H N 594 C CA . VAL A 78 ? 0.2835 0.2467 0.2277 -0.0040 -0.0770 -0.0936 78 VAL H CA 595 C C . VAL A 78 ? 0.3676 0.3428 0.2903 0.0028 -0.0685 -0.0908 78 VAL H C 596 O O . VAL A 78 ? 0.3928 0.3620 0.3149 0.0030 -0.0664 -0.0924 78 VAL H O 597 C CB . VAL A 78 ? 0.3333 0.2841 0.2906 -0.0171 -0.0675 -0.0786 78 VAL H CB 598 C CG1 . VAL A 78 ? 0.2579 0.2165 0.2052 -0.0208 -0.0563 -0.0651 78 VAL H CG1 599 C CG2 . VAL A 78 ? 0.3924 0.3320 0.3758 -0.0233 -0.0757 -0.0794 78 VAL H CG2 600 N N . SER A 79 ? 0.3886 0.3818 0.2959 0.0085 -0.0636 -0.0852 79 SER H N 601 C CA . SER A 79 ? 0.3275 0.3363 0.2175 0.0164 -0.0562 -0.0804 79 SER H CA 602 C C . SER A 79 ? 0.2696 0.2814 0.1587 0.0088 -0.0427 -0.0612 79 SER H C 603 O O . SER A 79 ? 0.3226 0.3327 0.2181 0.0018 -0.0396 -0.0525 79 SER H O 604 C CB . SER A 79 ? 0.5265 0.5592 0.4010 0.0323 -0.0614 -0.0873 79 SER H CB 605 O OG . SER A 79 ? 0.7760 0.8279 0.6360 0.0406 -0.0525 -0.0783 79 SER H OG 606 N N . LEU A 80 ? 0.3202 0.3361 0.2033 0.0105 -0.0358 -0.0553 80 LEU H N 607 C CA . LEU A 80 ? 0.2555 0.2763 0.1401 0.0053 -0.0252 -0.0381 80 LEU H CA 608 C C . LEU A 80 ? 0.2926 0.3362 0.1669 0.0160 -0.0206 -0.0310 80 LEU H C 609 O O . LEU A 80 ? 0.2675 0.3148 0.1339 0.0236 -0.0219 -0.0380 80 LEU H O 610 C CB . LEU A 80 ? 0.3789 0.3809 0.2719 -0.0051 -0.0208 -0.0344 80 LEU H CB 611 C CG . LEU A 80 ? 0.4400 0.4462 0.3366 -0.0089 -0.0125 -0.0194 80 LEU H CG 612 C CD1 . LEU A 80 ? 0.4980 0.5135 0.3999 -0.0107 -0.0103 -0.0087 80 LEU H CD1 613 C CD2 . LEU A 80 ? 0.4156 0.4032 0.3197 -0.0180 -0.0101 -0.0183 80 LEU H CD2 614 N N . SER A 81 ? 0.2566 0.3165 0.1328 0.0170 -0.0150 -0.0159 81 SER H N 615 C CA . SER A 81 ? 0.2995 0.3849 0.1703 0.0272 -0.0092 -0.0039 81 SER H CA 616 C C . SER A 81 ? 0.3064 0.3936 0.1928 0.0190 -0.0014 0.0165 81 SER H C 617 O O . SER A 81 ? 0.2952 0.3791 0.1925 0.0119 -0.0007 0.0241 81 SER H O 618 C CB . SER A 81 ? 0.2720 0.3843 0.1319 0.0412 -0.0114 -0.0036 81 SER H CB 619 O OG . SER A 81 ? 0.4862 0.6276 0.3410 0.0533 -0.0048 0.0101 81 SER H OG 620 N N . LEU A 82 ? 0.3191 0.4112 0.2086 0.0202 0.0034 0.0247 82 LEU H N 621 C CA . LEU A 82 ? 0.2735 0.3660 0.1824 0.0125 0.0086 0.0431 82 LEU H CA 622 C C . LEU A 82 ? 0.2396 0.3608 0.1523 0.0221 0.0147 0.0611 82 LEU H C 623 O O . LEU A 82 ? 0.2421 0.3665 0.1504 0.0264 0.0168 0.0604 82 LEU H O 624 C CB . LEU A 82 ? 0.2745 0.3407 0.1903 0.0016 0.0075 0.0371 82 LEU H CB 625 C CG . LEU A 82 ? 0.3370 0.3986 0.2749 -0.0066 0.0095 0.0516 82 LEU H CG 626 C CD1 . LEU A 82 ? 0.2150 0.2726 0.1660 -0.0127 0.0078 0.0572 82 LEU H CD1 627 C CD2 . LEU A 82 ? 0.2438 0.2828 0.1839 -0.0138 0.0077 0.0433 82 LEU H CD2 628 N N . VAL A 83 A 0.2398 0.3834 0.1625 0.0260 0.0181 0.0788 82 VAL H N 629 C CA . VAL A 83 A 0.2435 0.4201 0.1733 0.0365 0.0249 0.1006 82 VAL H CA 630 C C . VAL A 83 A 0.2351 0.4071 0.1890 0.0286 0.0278 0.1158 82 VAL H C 631 O O . VAL A 83 A 0.2278 0.3743 0.1978 0.0149 0.0241 0.1135 82 VAL H O 632 C CB . VAL A 83 A 0.3327 0.5350 0.2729 0.0413 0.0279 0.1195 82 VAL H CB 633 C CG1 . VAL A 83 A 0.4171 0.6562 0.3685 0.0534 0.0354 0.1432 82 VAL H CG1 634 C CG2 . VAL A 83 A 0.2852 0.4928 0.2027 0.0493 0.0238 0.1042 82 VAL H CG2 635 N N . ALA A 84 B 0.2616 0.4598 0.2184 0.0387 0.0338 0.1312 82 ALA H N 636 C CA . ALA A 84 B 0.2954 0.4944 0.2797 0.0326 0.0362 0.1494 82 ALA H CA 637 C C . ALA A 84 B 0.2694 0.4330 0.2550 0.0203 0.0310 0.1330 82 ALA H C 638 O O . ALA A 84 B 0.3220 0.4686 0.3322 0.0083 0.0272 0.1380 82 ALA H O 639 C CB . ALA A 84 B 0.2258 0.4326 0.2449 0.0258 0.0366 0.1731 82 ALA H CB 640 N N . ALA A 85 C 0.3785 0.5322 0.3386 0.0244 0.0300 0.1131 82 ALA H N 641 C CA . ALA A 85 C 0.2677 0.3909 0.2267 0.0145 0.0257 0.0979 82 ALA H CA 642 C C . ALA A 85 C 0.2786 0.4045 0.2584 0.0114 0.0275 0.1121 82 ALA H C 643 O O . ALA A 85 C 0.2663 0.4189 0.2510 0.0207 0.0332 0.1286 82 ALA H O 644 C CB . ALA A 85 C 0.3015 0.4162 0.2321 0.0204 0.0241 0.0757 82 ALA H CB 645 N N . THR A 86 ? 0.2900 0.3897 0.2825 -0.0005 0.0221 0.1060 83 THR H N 646 C CA . THR A 86 ? 0.2820 0.3799 0.2945 -0.0042 0.0214 0.1156 83 THR H CA 647 C C . THR A 86 ? 0.3643 0.4336 0.3663 -0.0107 0.0167 0.0957 83 THR H C 648 O O . THR A 86 ? 0.4104 0.4632 0.3925 -0.0124 0.0146 0.0772 83 THR H O 649 C CB . THR A 86 ? 0.2810 0.3797 0.3313 -0.0117 0.0174 0.1334 83 THR H CB 650 O OG1 . THR A 86 ? 0.3338 0.4048 0.3879 -0.0214 0.0094 0.1190 83 THR H OG1 651 C CG2 . THR A 86 ? 0.2078 0.3343 0.2710 -0.0061 0.0219 0.1544 83 THR H CG2 652 N N . ALA A 87 ? 0.2999 0.3650 0.3175 -0.0140 0.0148 0.1010 84 ALA H N 653 C CA . ALA A 87 ? 0.3585 0.3994 0.3679 -0.0192 0.0103 0.0842 84 ALA H CA 654 C C . ALA A 87 ? 0.3374 0.3557 0.3481 -0.0267 0.0035 0.0716 84 ALA H C 655 O O . ALA A 87 ? 0.3864 0.3867 0.3825 -0.0288 0.0012 0.0555 84 ALA H O 656 C CB . ALA A 87 ? 0.3636 0.4054 0.3941 -0.0215 0.0080 0.0938 84 ALA H CB 657 N N . ALA A 88 ? 0.2018 0.2230 0.2307 -0.0296 0.0006 0.0800 85 ALA H N 658 C CA . ALA A 88 ? 0.2882 0.2906 0.3189 -0.0349 -0.0058 0.0687 85 ALA H CA 659 C C . ALA A 88 ? 0.2739 0.2703 0.2776 -0.0334 -0.0027 0.0550 85 ALA H C 660 O O . ALA A 88 ? 0.3174 0.2981 0.3165 -0.0364 -0.0066 0.0435 85 ALA H O 661 C CB . ALA A 88 ? 0.1992 0.2072 0.2591 -0.0379 -0.0101 0.0820 85 ALA H CB 662 N N . ASP A 89 ? 0.2779 0.2881 0.2651 -0.0275 0.0035 0.0564 86 ASP H N 663 C CA . ASP A 89 ? 0.3354 0.3407 0.3009 -0.0258 0.0048 0.0437 86 ASP H CA 664 C C . ASP A 89 ? 0.3382 0.3336 0.2854 -0.0242 0.0056 0.0301 86 ASP H C 665 O O . ASP A 89 ? 0.2109 0.2010 0.1437 -0.0229 0.0056 0.0194 86 ASP H O 666 C CB . ASP A 89 ? 0.3098 0.3358 0.2693 -0.0191 0.0088 0.0507 86 ASP H CB 667 C CG . ASP A 89 ? 0.2835 0.3200 0.2622 -0.0207 0.0083 0.0653 86 ASP H CG 668 O OD1 . ASP A 89 ? 0.2899 0.3143 0.2727 -0.0260 0.0048 0.0606 86 ASP H OD1 669 O OD2 . ASP A 89 ? 0.2387 0.2968 0.2298 -0.0163 0.0117 0.0828 86 ASP H OD2 670 N N . SER A 90 ? 0.2600 0.2530 0.2109 -0.0244 0.0057 0.0315 87 SER H N 671 C CA . SER A 90 ? 0.2718 0.2549 0.2087 -0.0234 0.0062 0.0200 87 SER H CA 672 C C . SER A 90 ? 0.2954 0.2599 0.2289 -0.0282 0.0031 0.0094 87 SER H C 673 O O . SER A 90 ? 0.3643 0.3225 0.3073 -0.0319 -0.0002 0.0105 87 SER H O 674 C CB . SER A 90 ? 0.2460 0.2317 0.1893 -0.0226 0.0069 0.0253 87 SER H CB 675 O OG . SER A 90 ? 0.2925 0.2984 0.2379 -0.0163 0.0110 0.0363 87 SER H OG 676 N N . GLY A 91 ? 0.3733 0.3305 0.2948 -0.0270 0.0038 -0.0001 88 GLY H N 677 C CA . GLY A 91 ? 0.3301 0.2740 0.2489 -0.0299 0.0023 -0.0073 88 GLY H CA 678 C C . GLY A 91 ? 0.2888 0.2294 0.1999 -0.0287 0.0027 -0.0143 88 GLY H C 679 O O . GLY A 91 ? 0.2182 0.1645 0.1245 -0.0249 0.0030 -0.0169 88 GLY H O 680 N N . LYS A 92 ? 0.2691 0.2015 0.1807 -0.0310 0.0021 -0.0174 89 LYS H N 681 C CA . LYS A 92 ? 0.3210 0.2498 0.2318 -0.0307 0.0013 -0.0223 89 LYS H CA 682 C C . LYS A 92 ? 0.2621 0.1917 0.1750 -0.0322 0.0000 -0.0224 89 LYS H C 683 O O . LYS A 92 ? 0.2796 0.2078 0.1950 -0.0341 0.0005 -0.0195 89 LYS H O 684 C CB . LYS A 92 ? 0.3682 0.2898 0.2813 -0.0315 0.0025 -0.0225 89 LYS H CB 685 C CG . LYS A 92 ? 0.4059 0.3238 0.3244 -0.0313 0.0009 -0.0256 89 LYS H CG 686 C CD . LYS A 92 ? 0.4670 0.3812 0.3898 -0.0310 0.0028 -0.0229 89 LYS H CD 687 C CE . LYS A 92 ? 0.5605 0.4708 0.4941 -0.0309 -0.0002 -0.0253 89 LYS H CE 688 N NZ . LYS A 92 ? 0.5805 0.4890 0.5204 -0.0303 0.0021 -0.0207 89 LYS H NZ 689 N N . TYR A 93 ? 0.2681 0.2004 0.1805 -0.0304 -0.0027 -0.0269 90 TYR H N 690 C CA . TYR A 93 ? 0.2186 0.1530 0.1332 -0.0313 -0.0048 -0.0274 90 TYR H CA 691 C C . TYR A 93 ? 0.3732 0.3006 0.2958 -0.0330 -0.0078 -0.0308 90 TYR H C 692 O O . TYR A 93 ? 0.3439 0.2679 0.2706 -0.0314 -0.0110 -0.0359 90 TYR H O 693 C CB . TYR A 93 ? 0.2471 0.1927 0.1561 -0.0265 -0.0069 -0.0295 90 TYR H CB 694 C CG . TYR A 93 ? 0.3221 0.2778 0.2290 -0.0255 -0.0035 -0.0213 90 TYR H CG 695 C CD1 . TYR A 93 ? 0.2878 0.2453 0.1942 -0.0246 -0.0008 -0.0174 90 TYR H CD1 696 C CD2 . TYR A 93 ? 0.2187 0.1825 0.1275 -0.0255 -0.0033 -0.0159 90 TYR H CD2 697 C CE1 . TYR A 93 ? 0.2878 0.2550 0.1982 -0.0241 0.0014 -0.0078 90 TYR H CE1 698 C CE2 . TYR A 93 ? 0.2442 0.2182 0.1570 -0.0249 -0.0007 -0.0058 90 TYR H CE2 699 C CZ . TYR A 93 ? 0.2971 0.2727 0.2119 -0.0243 0.0014 -0.0014 90 TYR H CZ 700 O OH . TYR A 93 ? 0.2796 0.2658 0.2040 -0.0240 0.0032 0.0106 90 TYR H OH 701 N N . TYR A 94 ? 0.2181 0.1442 0.1459 -0.0359 -0.0072 -0.0272 91 TYR H N 702 C CA . TYR A 94 ? 0.2658 0.1873 0.2056 -0.0378 -0.0097 -0.0271 91 TYR H CA 703 C C . TYR A 94 ? 0.4081 0.3323 0.3516 -0.0383 -0.0140 -0.0293 91 TYR H C 704 O O . TYR A 94 ? 0.3478 0.2770 0.2856 -0.0385 -0.0124 -0.0270 91 TYR H O 705 C CB . TYR A 94 ? 0.2944 0.2141 0.2387 -0.0394 -0.0047 -0.0191 91 TYR H CB 706 C CG . TYR A 94 ? 0.4110 0.3293 0.3520 -0.0378 -0.0009 -0.0167 91 TYR H CG 707 C CD1 . TYR A 94 ? 0.4325 0.3524 0.3632 -0.0363 0.0017 -0.0165 91 TYR H CD1 708 C CD2 . TYR A 94 ? 0.3412 0.2572 0.2923 -0.0376 -0.0008 -0.0141 91 TYR H CD2 709 C CE1 . TYR A 94 ? 0.3532 0.2723 0.2808 -0.0343 0.0041 -0.0151 91 TYR H CE1 710 C CE2 . TYR A 94 ? 0.3356 0.2518 0.2833 -0.0356 0.0028 -0.0112 91 TYR H CE2 711 C CZ . TYR A 94 ? 0.4021 0.3199 0.3367 -0.0337 0.0052 -0.0124 91 TYR H CZ 712 O OH . TYR A 94 ? 0.4344 0.3530 0.3657 -0.0311 0.0078 -0.0104 91 TYR H OH 713 N N . CYS A 95 ? 0.3619 0.2827 0.3176 -0.0385 -0.0204 -0.0337 92 CYS H N 714 C CA . CYS A 95 ? 0.3939 0.3161 0.3576 -0.0394 -0.0257 -0.0355 92 CYS H CA 715 C C . CYS A 95 ? 0.4360 0.3541 0.4184 -0.0436 -0.0249 -0.0273 92 CYS H C 716 O O . CYS A 95 ? 0.4229 0.3369 0.4168 -0.0444 -0.0244 -0.0237 92 CYS H O 717 C CB . CYS A 95 ? 0.4379 0.3602 0.4045 -0.0351 -0.0362 -0.0479 92 CYS H CB 718 S SG . CYS A 95 ? 0.9116 0.8340 0.8931 -0.0358 -0.0462 -0.0524 92 CYS H SG 719 N N . ALA A 96 ? 0.3960 0.3168 0.3827 -0.0456 -0.0242 -0.0226 93 ALA H N 720 C CA . ALA A 96 ? 0.3206 0.2412 0.3257 -0.0484 -0.0221 -0.0121 93 ALA H CA 721 C C . ALA A 96 ? 0.2714 0.1941 0.2875 -0.0504 -0.0265 -0.0107 93 ALA H C 722 O O . ALA A 96 ? 0.2817 0.2080 0.2859 -0.0498 -0.0264 -0.0139 93 ALA H O 723 C CB . ALA A 96 ? 0.2170 0.1414 0.2137 -0.0471 -0.0118 -0.0025 93 ALA H CB 724 N N . ARG A 97 ? 0.2493 0.1705 0.2909 -0.0528 -0.0305 -0.0046 94 ARG H N 725 C CA . ARG A 97 ? 0.3210 0.2446 0.3772 -0.0552 -0.0345 -0.0012 94 ARG H CA 726 C C . ARG A 97 ? 0.3871 0.3179 0.4366 -0.0547 -0.0239 0.0105 94 ARG H C 727 O O . ARG A 97 ? 0.2171 0.1519 0.2687 -0.0530 -0.0157 0.0213 94 ARG H O 728 C CB . ARG A 97 ? 0.2308 0.1513 0.3218 -0.0581 -0.0423 0.0042 94 ARG H CB 729 C CG . ARG A 97 ? 0.3554 0.2769 0.4652 -0.0606 -0.0507 0.0045 94 ARG H CG 730 C CD . ARG A 97 ? 0.3352 0.2651 0.4517 -0.0619 -0.0414 0.0212 94 ARG H CD 731 N NE . ARG A 97 ? 0.3364 0.2706 0.4794 -0.0628 -0.0370 0.0389 94 ARG H NE 732 C CZ . ARG A 97 ? 0.2721 0.2065 0.4532 -0.0663 -0.0445 0.0479 94 ARG H CZ 733 N NH1 . ARG A 97 ? 0.2351 0.1640 0.4313 -0.0691 -0.0582 0.0384 94 ARG H NH1 734 N NH2 . ARG A 97 ? 0.2659 0.2075 0.4720 -0.0662 -0.0388 0.0674 94 ARG H NH2 735 N N . THR A 98 ? 0.4120 0.3457 0.4532 -0.0550 -0.0245 0.0080 95 THR H N 736 C CA . THR A 98 ? 0.2136 0.1534 0.2463 -0.0534 -0.0157 0.0160 95 THR H CA 737 C C . THR A 98 ? 0.2729 0.2175 0.3240 -0.0551 -0.0164 0.0251 95 THR H C 738 O O . THR A 98 ? 0.3158 0.2592 0.3755 -0.0578 -0.0244 0.0206 95 THR H O 739 C CB . THR A 98 ? 0.2117 0.1520 0.2222 -0.0522 -0.0146 0.0085 95 THR H CB 740 O OG1 . THR A 98 ? 0.2118 0.1491 0.2078 -0.0505 -0.0136 0.0021 95 THR H OG1 741 C CG2 . THR A 98 ? 0.2081 0.1532 0.2123 -0.0498 -0.0072 0.0150 95 THR H CG2 742 N N . LEU A 99 ? 0.2544 0.2062 0.3112 -0.0523 -0.0080 0.0381 96 LEU H N 743 C CA . LEU A 99 ? 0.2406 0.1997 0.3143 -0.0526 -0.0066 0.0493 96 LEU H CA 744 C C . LEU A 99 ? 0.3481 0.3123 0.4042 -0.0485 0.0001 0.0497 96 LEU H C 745 O O . LEU A 99 ? 0.3221 0.2843 0.3567 -0.0452 0.0034 0.0428 96 LEU H O 746 C CB . LEU A 99 ? 0.2116 0.1793 0.3075 -0.0505 -0.0014 0.0664 96 LEU H CB 747 C CG . LEU A 99 ? 0.3528 0.3157 0.4740 -0.0547 -0.0086 0.0689 96 LEU H CG 748 C CD1 . LEU A 99 ? 0.2149 0.1900 0.3575 -0.0512 -0.0010 0.0896 96 LEU H CD1 749 C CD2 . LEU A 99 ? 0.2509 0.2076 0.3953 -0.0610 -0.0216 0.0642 96 LEU H CD2 750 N N . HIS A 100 ? 0.2378 0.2086 0.3056 -0.0484 0.0012 0.0579 97 HIS H N 751 C CA . HIS A 100 ? 0.2066 0.1821 0.2606 -0.0439 0.0065 0.0579 97 HIS H CA 752 C C . HIS A 100 ? 0.3449 0.3327 0.4138 -0.0400 0.0121 0.0728 97 HIS H C 753 O O . HIS A 100 ? 0.3000 0.2919 0.3939 -0.0433 0.0099 0.0834 97 HIS H O 754 C CB . HIS A 100 ? 0.2756 0.2452 0.3213 -0.0482 0.0003 0.0476 97 HIS H CB 755 C CG . HIS A 100 ? 0.3692 0.3378 0.4327 -0.0541 -0.0081 0.0478 97 HIS H CG 756 N ND1 . HIS A 100 ? 0.3970 0.3720 0.4767 -0.0549 -0.0080 0.0570 97 HIS H ND1 757 C CD2 . HIS A 100 ? 0.3165 0.2791 0.3845 -0.0584 -0.0178 0.0390 97 HIS H CD2 758 C CE1 . HIS A 100 ? 0.3937 0.3657 0.4882 -0.0601 -0.0181 0.0536 97 HIS H CE1 759 N NE2 . HIS A 100 ? 0.3843 0.3490 0.4714 -0.0617 -0.0246 0.0418 97 HIS H NE2 760 N N . GLY A 101 ? 0.3382 0.3324 0.3934 -0.0321 0.0186 0.0736 98 GLY H N 761 C CA . GLY A 101 ? 0.2590 0.2671 0.3244 -0.0260 0.0248 0.0868 98 GLY H CA 762 C C . GLY A 101 ? 0.3061 0.3146 0.3559 -0.0208 0.0263 0.0798 98 GLY H C 763 O O . GLY A 101 ? 0.2574 0.2557 0.2909 -0.0221 0.0227 0.0663 98 GLY H O 764 N N . ARG A 102 ? 0.3429 0.3636 0.4000 -0.0146 0.0313 0.0899 99 ARG H N 765 C CA . ARG A 102 ? 0.3818 0.4032 0.4269 -0.0087 0.0321 0.0834 99 ARG H CA 766 C C . ARG A 102 ? 0.3874 0.4235 0.4227 0.0077 0.0401 0.0871 99 ARG H C 767 O O . ARG A 102 ? 0.3529 0.4060 0.3992 0.0147 0.0472 0.1027 99 ARG H O 768 C CB . ARG A 102 ? 0.3640 0.3872 0.4238 -0.0140 0.0299 0.0892 99 ARG H CB 769 C CG . ARG A 102 ? 0.4075 0.4182 0.4734 -0.0274 0.0208 0.0828 99 ARG H CG 770 C CD . ARG A 102 ? 0.4590 0.4724 0.5367 -0.0310 0.0183 0.0871 99 ARG H CD 771 N NE . ARG A 102 ? 0.5242 0.5286 0.6060 -0.0415 0.0090 0.0803 99 ARG H NE 772 C CZ . ARG A 102 ? 0.5832 0.5887 0.6731 -0.0455 0.0048 0.0816 99 ARG H CZ 773 N NH1 . ARG A 102 ? 0.5987 0.6126 0.6949 -0.0412 0.0093 0.0897 99 ARG H NH1 774 N NH2 . ARG A 102 ? 0.6076 0.6074 0.6988 -0.0527 -0.0041 0.0744 99 ARG H NH2 775 N N . ARG A 103 ? 0.2859 0.3167 0.3019 0.0149 0.0383 0.0728 100 ARG H N 776 C CA . ARG A 103 ? 0.2719 0.3162 0.2759 0.0330 0.0434 0.0716 100 ARG H CA 777 C C . ARG A 103 ? 0.2765 0.3244 0.2830 0.0379 0.0431 0.0707 100 ARG H C 778 O O . ARG A 103 ? 0.2511 0.2867 0.2525 0.0359 0.0364 0.0575 100 ARG H O 779 C CB . ARG A 103 ? 0.3514 0.3874 0.3366 0.0393 0.0389 0.0546 100 ARG H CB 780 C CG . ARG A 103 ? 0.3904 0.4408 0.3615 0.0606 0.0418 0.0497 100 ARG H CG 781 C CD . ARG A 103 ? 0.3007 0.3747 0.2722 0.0723 0.0522 0.0660 100 ARG H CD 782 N NE . ARG A 103 ? 0.2780 0.3691 0.2324 0.0958 0.0548 0.0601 100 ARG H NE 783 C CZ . ARG A 103 ? 0.3003 0.4099 0.2536 0.1110 0.0599 0.0656 100 ARG H CZ 784 N NH1 . ARG A 103 ? 0.2802 0.3930 0.2502 0.1038 0.0634 0.0786 100 ARG H NH1 785 N NH2 . ARG A 103 ? 0.3033 0.4292 0.2385 0.1346 0.0609 0.0575 100 ARG H NH2 786 N N . ILE A 104 A 0.3631 0.4289 0.3801 0.0443 0.0505 0.0865 100 ILE H N 787 C CA . ILE A 104 A 0.3095 0.3813 0.3297 0.0503 0.0513 0.0875 100 ILE H CA 788 C C . ILE A 104 A 0.3184 0.4077 0.3241 0.0734 0.0563 0.0845 100 ILE H C 789 O O . ILE A 104 A 0.2660 0.3775 0.2726 0.0855 0.0654 0.0988 100 ILE H O 790 C CB . ILE A 104 A 0.3181 0.3997 0.3613 0.0432 0.0556 0.1071 100 ILE H CB 791 C CG1 . ILE A 104 A 0.3509 0.4160 0.4077 0.0226 0.0487 0.1074 100 ILE H CG1 792 C CG2 . ILE A 104 A 0.2431 0.3303 0.2896 0.0489 0.0564 0.1081 100 ILE H CG2 793 C CD1 . ILE A 104 A 0.3833 0.4560 0.4661 0.0147 0.0499 0.1249 100 ILE H CD1 794 N N . TYR A 105 B 0.3294 0.4096 0.3229 0.0807 0.0496 0.0659 100 TYR H N 795 C CA . TYR A 105 B 0.3259 0.4208 0.3035 0.1048 0.0511 0.0574 100 TYR H CA 796 C C . TYR A 105 B 0.3698 0.4689 0.3499 0.1139 0.0497 0.0534 100 TYR H C 797 O O . TYR A 105 B 0.5037 0.6150 0.4711 0.1358 0.0495 0.0442 100 TYR H O 798 C CB . TYR A 105 B 0.3162 0.3972 0.2785 0.1095 0.0416 0.0353 100 TYR H CB 799 C CG . TYR A 105 B 0.3975 0.4522 0.3667 0.0942 0.0301 0.0216 100 TYR H CG 800 C CD1 . TYR A 105 B 0.3123 0.3510 0.2883 0.0738 0.0273 0.0238 100 TYR H CD1 801 C CD2 . TYR A 105 B 0.4488 0.4963 0.4195 0.1011 0.0218 0.0074 100 TYR H CD2 802 C CE1 . TYR A 105 B 0.3678 0.3869 0.3511 0.0614 0.0181 0.0145 100 TYR H CE1 803 C CE2 . TYR A 105 B 0.3847 0.4107 0.3660 0.0874 0.0118 -0.0016 100 TYR H CE2 804 C CZ . TYR A 105 B 0.3912 0.4044 0.3784 0.0678 0.0106 0.0030 100 TYR H CZ 805 O OH . TYR A 105 B 0.4370 0.4330 0.4356 0.0558 0.0018 -0.0030 100 TYR H OH 806 N N . GLY A 106 C 0.3624 0.4519 0.3588 0.0983 0.0482 0.0598 100 GLY H N 807 C CA . GLY A 106 C 0.3711 0.4647 0.3732 0.1047 0.0476 0.0590 100 GLY H CA 808 C C . GLY A 106 C 0.4982 0.5915 0.5203 0.0884 0.0508 0.0760 100 GLY H C 809 O O . GLY A 106 C 0.4937 0.5919 0.5258 0.0784 0.0558 0.0917 100 GLY H O 810 N N . ILE A 107 D 0.5889 0.6763 0.6187 0.0862 0.0469 0.0725 100 ILE H N 811 C CA . ILE A 107 D 0.5933 0.6794 0.6419 0.0707 0.0482 0.0866 100 ILE H CA 812 C C . ILE A 107 D 0.5495 0.6150 0.6038 0.0492 0.0406 0.0826 100 ILE H C 813 O O . ILE A 107 D 0.2459 0.2956 0.2956 0.0454 0.0326 0.0683 100 ILE H O 814 C CB . ILE A 107 D 0.6445 0.7328 0.7000 0.0758 0.0469 0.0855 100 ILE H CB 815 C CG1 . ILE A 107 D 0.6738 0.7873 0.7262 0.0972 0.0561 0.0939 100 ILE H CG1 816 C CG2 . ILE A 107 D 0.6331 0.7163 0.7073 0.0576 0.0455 0.0968 100 ILE H CG2 817 C CD1 . ILE A 107 D 0.6923 0.8109 0.7254 0.1200 0.0541 0.0768 100 ILE H CD1 818 N N . VAL A 108 E 0.4409 0.5081 0.5071 0.0363 0.0427 0.0959 100 VAL H N 819 C CA . VAL A 108 E 0.4986 0.5497 0.5687 0.0183 0.0356 0.0922 100 VAL H CA 820 C C . VAL A 108 E 0.5356 0.5758 0.6100 0.0106 0.0287 0.0857 100 VAL H C 821 O O . VAL A 108 E 0.5499 0.5772 0.6209 0.0016 0.0223 0.0775 100 VAL H O 822 C CB . VAL A 108 E 0.4484 0.5043 0.5346 0.0075 0.0369 0.1066 100 VAL H CB 823 C CG1 . VAL A 108 E 0.4795 0.5213 0.5702 -0.0087 0.0282 0.1015 100 VAL H CG1 824 C CG2 . VAL A 108 E 0.3021 0.3648 0.3862 0.0116 0.0418 0.1123 100 VAL H CG2 825 N N . ALA A 109 F 0.4630 0.5103 0.5457 0.0149 0.0303 0.0909 100 ALA H N 826 C CA . ALA A 109 F 0.3836 0.4229 0.4729 0.0083 0.0244 0.0873 100 ALA H CA 827 C C . ALA A 109 F 0.3843 0.4132 0.4666 0.0141 0.0190 0.0727 100 ALA H C 828 O O . ALA A 109 F 0.4768 0.4974 0.5659 0.0070 0.0131 0.0698 100 ALA H O 829 C CB . ALA A 109 F 0.4046 0.4549 0.5062 0.0116 0.0277 0.0975 100 ALA H CB 830 N N . PHE A 110 G 0.4087 0.4394 0.4796 0.0278 0.0205 0.0642 100 PHE H N 831 C CA . PHE A 110 G 0.3447 0.3648 0.4120 0.0345 0.0132 0.0486 100 PHE H CA 832 C C . PHE A 110 G 0.5270 0.5356 0.5875 0.0276 0.0088 0.0411 100 PHE H C 833 O O . PHE A 110 G 0.6393 0.6396 0.6975 0.0339 0.0023 0.0281 100 PHE H O 834 C CB . PHE A 110 G 0.4217 0.4505 0.4799 0.0556 0.0150 0.0403 100 PHE H CB 835 C CG . PHE A 110 G 0.6642 0.7019 0.7297 0.0650 0.0169 0.0434 100 PHE H CG 836 C CD1 . PHE A 110 G 0.6783 0.7182 0.7577 0.0539 0.0190 0.0562 100 PHE H CD1 837 C CD2 . PHE A 110 G 0.7374 0.7821 0.7959 0.0862 0.0157 0.0325 100 PHE H CD2 838 C CE1 . PHE A 110 G 0.6170 0.6654 0.7038 0.0625 0.0209 0.0596 100 PHE H CE1 839 C CE2 . PHE A 110 G 0.6519 0.7055 0.7171 0.0960 0.0175 0.0348 100 PHE H CE2 840 C CZ . PHE A 110 G 0.5580 0.6131 0.6378 0.0835 0.0204 0.0491 100 PHE H CZ 841 N N . ASN A 111 H 0.5079 0.5163 0.5672 0.0154 0.0112 0.0489 100 ASN H N 842 C CA . ASN A 111 H 0.4884 0.4877 0.5409 0.0090 0.0080 0.0431 100 ASN H CA 843 C C . ASN A 111 H 0.4240 0.4246 0.4631 0.0209 0.0094 0.0347 100 ASN H C 844 O O . ASN A 111 H 0.4312 0.4228 0.4653 0.0193 0.0049 0.0262 100 ASN H O 845 C CB . ASN A 111 H 0.4666 0.4544 0.5271 0.0028 -0.0002 0.0373 100 ASN H CB 846 C CG . ASN A 111 H 0.5680 0.5571 0.6402 -0.0085 -0.0014 0.0466 100 ASN H CG 847 O OD1 . ASN A 111 H 0.5778 0.5715 0.6489 -0.0166 0.0013 0.0543 100 ASN H OD1 848 N ND2 . ASN A 111 H 0.5422 0.5280 0.6273 -0.0082 -0.0064 0.0458 100 ASN H ND2 849 N N . GLU A 112 I 0.4055 0.4194 0.4391 0.0336 0.0159 0.0382 100 GLU H N 850 C CA . GLU A 112 I 0.3757 0.3953 0.3951 0.0480 0.0179 0.0311 100 GLU H CA 851 C C . GLU A 112 I 0.4314 0.4566 0.4458 0.0433 0.0241 0.0403 100 GLU H C 852 O O . GLU A 112 I 0.3976 0.4391 0.4089 0.0528 0.0321 0.0495 100 GLU H O 853 C CB . GLU A 112 I 0.3607 0.3960 0.3757 0.0675 0.0221 0.0309 100 GLU H CB 854 C CG . GLU A 112 I 0.4790 0.5083 0.5008 0.0736 0.0149 0.0205 100 GLU H CG 855 C CD . GLU A 112 I 0.6173 0.6628 0.6319 0.0963 0.0180 0.0170 100 GLU H CD 856 O OE1 . GLU A 112 I 0.6184 0.6807 0.6355 0.1000 0.0275 0.0319 100 GLU H OE1 857 O OE2 . GLU A 112 I 0.6833 0.7257 0.6908 0.1113 0.0104 -0.0009 100 GLU H OE2 858 N N . TRP A 113 J 0.4337 0.4468 0.4492 0.0292 0.0203 0.0386 100 TRP H N 859 C CA . TRP A 113 J 0.3956 0.4109 0.4091 0.0231 0.0243 0.0457 100 TRP H CA 860 C C . TRP A 113 J 0.3636 0.3639 0.3758 0.0106 0.0180 0.0390 100 TRP H C 861 O O . TRP A 113 J 0.3436 0.3347 0.3605 0.0043 0.0121 0.0341 100 TRP H O 862 C CB . TRP A 113 J 0.2286 0.2525 0.2556 0.0159 0.0291 0.0618 100 TRP H CB 863 C CG . TRP A 113 J 0.3824 0.3977 0.4201 0.0017 0.0239 0.0632 100 TRP H CG 864 C CD1 . TRP A 113 J 0.3958 0.4122 0.4415 0.0008 0.0224 0.0652 100 TRP H CD1 865 C CD2 . TRP A 113 J 0.3776 0.3841 0.4183 -0.0118 0.0193 0.0624 100 TRP H CD2 866 N NE1 . TRP A 113 J 0.3047 0.3145 0.3578 -0.0124 0.0174 0.0663 100 TRP H NE1 867 C CE2 . TRP A 113 J 0.3048 0.3089 0.3542 -0.0195 0.0152 0.0640 100 TRP H CE2 868 C CE3 . TRP A 113 J 0.4562 0.4576 0.4926 -0.0169 0.0180 0.0600 100 TRP H CE3 869 C CZ2 . TRP A 113 J 0.3446 0.3433 0.3968 -0.0306 0.0097 0.0628 100 TRP H CZ2 870 C CZ3 . TRP A 113 J 0.5112 0.5058 0.5511 -0.0282 0.0124 0.0583 100 TRP H CZ3 871 C CH2 . TRP A 113 J 0.4887 0.4829 0.5357 -0.0342 0.0082 0.0594 100 TRP H CH2 872 N N . PHE A 114 K 0.3263 0.3258 0.3333 0.0077 0.0197 0.0401 100 PHE H N 873 C CA . PHE A 114 K 0.3428 0.3304 0.3482 -0.0031 0.0146 0.0348 100 PHE H CA 874 C C . PHE A 114 K 0.3148 0.3039 0.3213 -0.0092 0.0173 0.0411 100 PHE H C 875 O O . PHE A 114 K 0.3983 0.3972 0.4060 -0.0034 0.0230 0.0487 100 PHE H O 876 C CB . PHE A 114 K 0.3292 0.3091 0.3254 0.0022 0.0101 0.0223 100 PHE H CB 877 C CG . PHE A 114 K 0.2904 0.2762 0.2755 0.0133 0.0135 0.0195 100 PHE H CG 878 C CD1 . PHE A 114 K 0.2331 0.2194 0.2143 0.0095 0.0163 0.0230 100 PHE H CD1 879 C CD2 . PHE A 114 K 0.3343 0.3262 0.3127 0.0290 0.0132 0.0128 100 PHE H CD2 880 C CE1 . PHE A 114 K 0.3112 0.3049 0.2825 0.0203 0.0198 0.0218 100 PHE H CE1 881 C CE2 . PHE A 114 K 0.3277 0.3281 0.2941 0.0414 0.0163 0.0102 100 PHE H CE2 882 C CZ . PHE A 114 K 0.2477 0.2494 0.2106 0.0367 0.0200 0.0157 100 PHE H CZ 883 N N . THR A 115 L 0.3223 0.3032 0.3301 -0.0198 0.0128 0.0386 100 THR H N 884 C CA . THR A 115 L 0.2877 0.2678 0.2978 -0.0254 0.0131 0.0418 100 THR H CA 885 C C . THR A 115 L 0.2100 0.1854 0.2088 -0.0228 0.0132 0.0351 100 THR H C 886 O O . THR A 115 L 0.2664 0.2350 0.2580 -0.0231 0.0096 0.0268 100 THR H O 887 C CB . THR A 115 L 0.2968 0.2722 0.3125 -0.0359 0.0073 0.0406 100 THR H CB 888 O OG1 . THR A 115 L 0.3626 0.3430 0.3899 -0.0383 0.0065 0.0469 100 THR H OG1 889 C CG2 . THR A 115 L 0.2690 0.2420 0.2876 -0.0404 0.0054 0.0408 100 THR H CG2 890 N N . TYR A 116 M 0.2114 0.1914 0.2112 -0.0203 0.0170 0.0403 100 TYR H N 891 C CA . TYR A 116 M 0.3422 0.3184 0.3322 -0.0184 0.0171 0.0349 100 TYR H CA 892 C C . TYR A 116 M 0.3790 0.3516 0.3757 -0.0263 0.0154 0.0375 100 TYR H C 893 O O . TYR A 116 M 0.4043 0.3806 0.4157 -0.0300 0.0154 0.0458 100 TYR H O 894 C CB . TYR A 116 M 0.2195 0.2057 0.2029 -0.0058 0.0230 0.0377 100 TYR H CB 895 C CG . TYR A 116 M 0.2478 0.2479 0.2427 -0.0019 0.0296 0.0529 100 TYR H CG 896 C CD1 . TYR A 116 M 0.2980 0.3089 0.2992 0.0039 0.0333 0.0606 100 TYR H CD1 897 C CD2 . TYR A 116 M 0.2200 0.2236 0.2225 -0.0038 0.0321 0.0610 100 TYR H CD2 898 C CE1 . TYR A 116 M 0.2245 0.2508 0.2399 0.0077 0.0399 0.0775 100 TYR H CE1 899 C CE2 . TYR A 116 M 0.2858 0.3040 0.3046 -0.0004 0.0380 0.0781 100 TYR H CE2 900 C CZ . TYR A 116 M 0.2979 0.3281 0.3234 0.0054 0.0421 0.0870 100 TYR H CZ 901 O OH . TYR A 116 M 0.3462 0.3932 0.3912 0.0090 0.0485 0.1069 100 TYR H OH 902 N N . PHE A 117 N 0.3992 0.3645 0.3873 -0.0286 0.0129 0.0300 100 PHE H N 903 C CA . PHE A 117 N 0.3173 0.2786 0.3107 -0.0346 0.0103 0.0301 100 PHE H CA 904 C C . PHE A 117 N 0.3391 0.3017 0.3282 -0.0303 0.0138 0.0314 100 PHE H C 905 O O . PHE A 117 N 0.4091 0.3713 0.3853 -0.0246 0.0154 0.0264 100 PHE H O 906 C CB . PHE A 117 N 0.2415 0.1953 0.2290 -0.0405 0.0044 0.0212 100 PHE H CB 907 C CG . PHE A 117 N 0.2542 0.2089 0.2465 -0.0444 0.0006 0.0209 100 PHE H CG 908 C CD1 . PHE A 117 N 0.3178 0.2732 0.3216 -0.0487 -0.0040 0.0223 100 PHE H CD1 909 C CD2 . PHE A 117 N 0.2812 0.2364 0.2686 -0.0432 0.0004 0.0192 100 PHE H CD2 910 C CE1 . PHE A 117 N 0.3756 0.3333 0.3828 -0.0513 -0.0080 0.0216 100 PHE H CE1 911 C CE2 . PHE A 117 N 0.3051 0.2629 0.2973 -0.0464 -0.0027 0.0203 100 PHE H CE2 912 C CZ . PHE A 117 N 0.3300 0.2896 0.3305 -0.0501 -0.0066 0.0213 100 PHE H CZ 913 N N . TYR A 118 O 0.3276 0.2918 0.3297 -0.0329 0.0139 0.0381 100 TYR H N 914 C CA . TYR A 118 O 0.2599 0.2260 0.2604 -0.0295 0.0172 0.0408 100 TYR H CA 915 C C . TYR A 118 O 0.3454 0.3051 0.3581 -0.0362 0.0123 0.0403 100 TYR H C 916 O O . TYR A 118 O 0.2819 0.2393 0.3109 -0.0418 0.0070 0.0420 100 TYR H O 917 C CB . TYR A 118 O 0.2215 0.2022 0.2281 -0.0207 0.0249 0.0544 100 TYR H CB 918 C CG . TYR A 118 O 0.2816 0.2702 0.3114 -0.0228 0.0261 0.0682 100 TYR H CG 919 C CD1 . TYR A 118 O 0.2459 0.2365 0.2784 -0.0235 0.0254 0.0689 100 TYR H CD1 920 C CD2 . TYR A 118 O 0.2147 0.2094 0.2671 -0.0241 0.0274 0.0819 100 TYR H CD2 921 C CE1 . TYR A 118 O 0.3526 0.3509 0.4085 -0.0255 0.0260 0.0824 100 TYR H CE1 922 C CE2 . TYR A 118 O 0.2952 0.2977 0.3741 -0.0263 0.0276 0.0963 100 TYR H CE2 923 C CZ . TYR A 118 O 0.3663 0.3705 0.4463 -0.0270 0.0269 0.0963 100 TYR H CZ 924 O OH . TYR A 118 O 0.3967 0.4091 0.5052 -0.0294 0.0266 0.1114 100 TYR H OH 925 N N . MET A 119 P 0.3201 0.2766 0.3255 -0.0350 0.0129 0.0369 100 MET H N 926 C CA . MET A 119 P 0.2568 0.2063 0.2721 -0.0401 0.0077 0.0341 100 MET H CA 927 C C . MET A 119 P 0.3000 0.2557 0.3340 -0.0384 0.0108 0.0472 100 MET H C 928 O O . MET A 119 P 0.3287 0.2905 0.3551 -0.0326 0.0170 0.0518 100 MET H O 929 C CB . MET A 119 P 0.2777 0.2202 0.2747 -0.0402 0.0061 0.0226 100 MET H CB 930 C CG . MET A 119 P 0.3518 0.2892 0.3368 -0.0428 0.0016 0.0119 100 MET H CG 931 S SD . MET A 119 P 0.5535 0.4948 0.5284 -0.0402 0.0045 0.0120 100 MET H SD 932 C CE . MET A 119 P 0.5973 0.5406 0.5592 -0.0330 0.0096 0.0115 100 MET H CE 933 N N . ASP A 120 ? 0.2145 0.1696 0.2752 -0.0431 0.0058 0.0536 101 ASP H N 934 C CA . ASP A 120 ? 0.2636 0.2259 0.3496 -0.0421 0.0083 0.0695 101 ASP H CA 935 C C . ASP A 120 ? 0.2909 0.2435 0.3893 -0.0461 0.0013 0.0645 101 ASP H C 936 O O . ASP A 120 ? 0.4115 0.3697 0.5286 -0.0447 0.0039 0.0772 101 ASP H O 937 C CB . ASP A 120 ? 0.2168 0.1866 0.3328 -0.0441 0.0072 0.0840 101 ASP H CB 938 C CG . ASP A 120 ? 0.5466 0.5046 0.6795 -0.0520 -0.0059 0.0744 101 ASP H CG 939 O OD1 . ASP A 120 ? 0.5485 0.4968 0.6606 -0.0539 -0.0114 0.0565 101 ASP H OD1 940 O OD2 . ASP A 120 ? 0.4906 0.4504 0.6589 -0.0556 -0.0113 0.0852 101 ASP H OD2 941 N N . VAL A 121 ? 0.3475 0.2875 0.4362 -0.0499 -0.0076 0.0467 102 VAL H N 942 C CA . VAL A 121 ? 0.3171 0.2476 0.4147 -0.0521 -0.0153 0.0387 102 VAL H CA 943 C C . VAL A 121 ? 0.3600 0.2840 0.4273 -0.0505 -0.0159 0.0222 102 VAL H C 944 O O . VAL A 121 ? 0.3980 0.3184 0.4516 -0.0512 -0.0206 0.0101 102 VAL H O 945 C CB . VAL A 121 ? 0.3409 0.2638 0.4661 -0.0567 -0.0291 0.0331 102 VAL H CB 946 C CG1 . VAL A 121 ? 0.3062 0.2200 0.4452 -0.0574 -0.0378 0.0256 102 VAL H CG1 947 C CG2 . VAL A 121 ? 0.2287 0.1588 0.3875 -0.0589 -0.0292 0.0509 102 VAL H CG2 948 N N . TRP A 122 ? 0.3498 0.2739 0.4079 -0.0480 -0.0110 0.0234 103 TRP H N 949 C CA . TRP A 122 ? 0.2930 0.2125 0.3255 -0.0464 -0.0109 0.0105 103 TRP H CA 950 C C . TRP A 122 ? 0.2932 0.2051 0.3334 -0.0469 -0.0182 0.0022 103 TRP H C 951 O O . TRP A 122 ? 0.4195 0.3297 0.4843 -0.0480 -0.0211 0.0087 103 TRP H O 952 C CB . TRP A 122 ? 0.3173 0.2425 0.3322 -0.0423 -0.0012 0.0159 103 TRP H CB 953 C CG . TRP A 122 ? 0.3085 0.2404 0.3111 -0.0397 0.0046 0.0195 103 TRP H CG 954 C CD1 . TRP A 122 ? 0.2648 0.2045 0.2780 -0.0384 0.0079 0.0301 103 TRP H CD1 955 C CD2 . TRP A 122 ? 0.3532 0.2851 0.3329 -0.0372 0.0070 0.0127 103 TRP H CD2 956 N NE1 . TRP A 122 ? 0.2459 0.1899 0.2421 -0.0346 0.0120 0.0285 103 TRP H NE1 957 C CE2 . TRP A 122 ? 0.2301 0.1687 0.2073 -0.0342 0.0109 0.0177 103 TRP H CE2 958 C CE3 . TRP A 122 ? 0.3878 0.3153 0.3518 -0.0371 0.0058 0.0036 103 TRP H CE3 959 C CZ2 . TRP A 122 ? 0.3369 0.2760 0.2976 -0.0312 0.0121 0.0124 103 TRP H CZ2 960 C CZ3 . TRP A 122 ? 0.3703 0.2991 0.3204 -0.0349 0.0073 0.0003 103 TRP H CZ3 961 C CH2 . TRP A 122 ? 0.4232 0.3569 0.3723 -0.0320 0.0098 0.0039 103 TRP H CH2 962 N N . GLY A 123 ? 0.2713 0.1798 0.2922 -0.0452 -0.0211 -0.0112 104 GLY H N 963 C CA . GLY A 123 ? 0.2825 0.1852 0.3054 -0.0435 -0.0267 -0.0201 104 GLY H CA 964 C C . GLY A 123 ? 0.3079 0.2122 0.3198 -0.0419 -0.0187 -0.0152 104 GLY H C 965 O O . GLY A 123 ? 0.3090 0.2187 0.3098 -0.0413 -0.0102 -0.0074 104 GLY H O 966 N N . ASN A 124 ? 0.3215 0.2212 0.3368 -0.0403 -0.0221 -0.0205 105 ASN H N 967 C CA . ASN A 124 ? 0.3800 0.2813 0.3846 -0.0386 -0.0152 -0.0167 105 ASN H CA 968 C C . ASN A 124 ? 0.3117 0.2162 0.2894 -0.0366 -0.0111 -0.0220 105 ASN H C 969 O O . ASN A 124 ? 0.3343 0.2414 0.3016 -0.0355 -0.0048 -0.0176 105 ASN H O 970 C CB . ASN A 124 ? 0.4338 0.3292 0.4492 -0.0372 -0.0206 -0.0219 105 ASN H CB 971 C CG . ASN A 124 ? 0.4788 0.3717 0.5263 -0.0395 -0.0240 -0.0128 105 ASN H CG 972 O OD1 . ASN A 124 ? 0.5078 0.4064 0.5669 -0.0413 -0.0189 0.0016 105 ASN H OD1 973 N ND2 . ASN A 124 ? 0.5655 0.4510 0.6299 -0.0385 -0.0331 -0.0203 105 ASN H ND2 974 N N . GLY A 125 ? 0.3677 0.2731 0.3366 -0.0356 -0.0152 -0.0309 106 GLY H N 975 C CA . GLY A 125 ? 0.3771 0.2874 0.3259 -0.0335 -0.0121 -0.0338 106 GLY H CA 976 C C . GLY A 125 ? 0.4653 0.3761 0.4075 -0.0294 -0.0142 -0.0410 106 GLY H C 977 O O . GLY A 125 ? 0.6111 0.5172 0.5611 -0.0287 -0.0155 -0.0419 106 GLY H O 978 N N . THR A 126 ? 0.3734 0.2913 0.3023 -0.0257 -0.0144 -0.0451 107 THR H N 979 C CA . THR A 126 ? 0.3469 0.2691 0.2676 -0.0200 -0.0151 -0.0503 107 THR H CA 980 C C . THR A 126 ? 0.4746 0.4040 0.3846 -0.0198 -0.0085 -0.0432 107 THR H C 981 O O . THR A 126 ? 0.4318 0.3654 0.3392 -0.0222 -0.0059 -0.0375 107 THR H O 982 C CB . THR A 126 ? 0.4095 0.3386 0.3255 -0.0125 -0.0219 -0.0609 107 THR H CB 983 O OG1 . THR A 126 ? 0.4005 0.3364 0.3075 -0.0050 -0.0217 -0.0653 107 THR H OG1 984 C CG2 . THR A 126 ? 0.3135 0.2527 0.2216 -0.0118 -0.0203 -0.0576 107 THR H CG2 985 N N . GLN A 127 ? 0.5420 0.4726 0.4486 -0.0172 -0.0066 -0.0432 108 GLN H N 986 C CA . GLN A 127 ? 0.4593 0.3965 0.3604 -0.0173 -0.0015 -0.0356 108 GLN H CA 987 C C . GLN A 127 ? 0.3879 0.3400 0.2816 -0.0107 -0.0010 -0.0346 108 GLN H C 988 O O . GLN A 127 ? 0.4611 0.4190 0.3498 -0.0032 -0.0039 -0.0421 108 GLN H O 989 C CB . GLN A 127 ? 0.3759 0.3090 0.2779 -0.0173 0.0005 -0.0344 108 GLN H CB 990 C CG . GLN A 127 ? 0.2236 0.1606 0.1248 -0.0190 0.0042 -0.0262 108 GLN H CG 991 C CD . GLN A 127 ? 0.4013 0.3326 0.3064 -0.0243 0.0046 -0.0222 108 GLN H CD 992 O OE1 . GLN A 127 ? 0.5083 0.4325 0.4158 -0.0263 0.0043 -0.0239 108 GLN H OE1 993 N NE2 . GLN A 127 ? 0.3941 0.3297 0.3017 -0.0256 0.0050 -0.0165 108 GLN H NE2 994 N N . VAL A 128 ? 0.3473 0.3070 0.2419 -0.0125 0.0022 -0.0251 109 VAL H N 995 C CA . VAL A 128 ? 0.3730 0.3510 0.2639 -0.0060 0.0041 -0.0193 109 VAL H CA 996 C C . VAL A 128 ? 0.3577 0.3423 0.2549 -0.0072 0.0081 -0.0072 109 VAL H C 997 O O . VAL A 128 ? 0.3939 0.3727 0.3006 -0.0139 0.0082 -0.0010 109 VAL H O 998 C CB . VAL A 128 ? 0.3303 0.3149 0.2221 -0.0064 0.0034 -0.0160 109 VAL H CB 999 C CG1 . VAL A 128 ? 0.2473 0.2549 0.1362 0.0019 0.0063 -0.0073 109 VAL H CG1 1000 C CG2 . VAL A 128 ? 0.3249 0.3026 0.2134 -0.0057 -0.0017 -0.0278 109 VAL H CG2 1001 N N . THR A 129 ? 0.3920 0.3890 0.2855 0.0001 0.0105 -0.0045 110 THR H N 1002 C CA . THR A 129 ? 0.4118 0.4179 0.3148 -0.0004 0.0140 0.0090 110 THR H CA 1003 C C . THR A 129 ? 0.4104 0.4422 0.3133 0.0087 0.0179 0.0205 110 THR H C 1004 O O . THR A 129 ? 0.3802 0.4253 0.2713 0.0196 0.0192 0.0165 110 THR H O 1005 C CB . THR A 129 ? 0.4323 0.4330 0.3340 0.0004 0.0149 0.0062 110 THR H CB 1006 O OG1 . THR A 129 ? 0.5292 0.5093 0.4323 -0.0073 0.0121 -0.0013 110 THR H OG1 1007 C CG2 . THR A 129 ? 0.4459 0.4575 0.3600 0.0002 0.0178 0.0212 110 THR H CG2 1008 N N . VAL A 130 ? 0.3689 0.4093 0.2865 0.0052 0.0192 0.0353 111 VAL H N 1009 C CA . VAL A 130 ? 0.3712 0.4397 0.2930 0.0139 0.0238 0.0509 111 VAL H CA 1010 C C . VAL A 130 ? 0.4079 0.4906 0.3430 0.0164 0.0278 0.0670 111 VAL H C 1011 O O . VAL A 130 ? 0.4965 0.5717 0.4524 0.0077 0.0260 0.0762 111 VAL H O 1012 C CB . VAL A 130 ? 0.2717 0.3445 0.2072 0.0092 0.0231 0.0616 111 VAL H CB 1013 C CG1 . VAL A 130 ? 0.3154 0.4210 0.2561 0.0195 0.0286 0.0803 111 VAL H CG1 1014 C CG2 . VAL A 130 ? 0.2345 0.2933 0.1583 0.0062 0.0191 0.0467 111 VAL H CG2 1015 N N . SER A 131 ? 0.3337 0.4373 0.2578 0.0294 0.0325 0.0697 112 SER H N 1016 C CA . SER A 131 ? 0.3717 0.4928 0.3087 0.0335 0.0373 0.0868 112 SER H CA 1017 C C . SER A 131 ? 0.4201 0.5733 0.3432 0.0519 0.0437 0.0926 112 SER H C 1018 O O . SER A 131 ? 0.4338 0.5924 0.3347 0.0620 0.0426 0.0786 112 SER H O 1019 C CB . SER A 131 ? 0.3836 0.4844 0.3213 0.0272 0.0350 0.0781 112 SER H CB 1020 O OG . SER A 131 ? 0.4160 0.5102 0.3306 0.0341 0.0342 0.0592 112 SER H OG 1021 N N . SER A 132 ? 0.3829 0.5587 0.3202 0.0573 0.0496 0.1132 113 SER H N 1022 C CA . SER A 132 ? 0.3856 0.5948 0.3117 0.0767 0.0561 0.1199 113 SER H CA 1023 C C . SER A 132 ? 0.4335 0.6393 0.3496 0.0819 0.0572 0.1116 113 SER H C 1024 O O . SER A 132 ? 0.4224 0.6512 0.3434 0.0946 0.0606 0.1190 113 SER H O 1025 C CB . SER A 132 ? 0.4655 0.7029 0.4231 0.0801 0.0602 0.1471 113 SER H CB 1026 O OG . SER A 132 ? 0.6079 0.8399 0.5933 0.0692 0.0606 0.1635 113 SER H OG 1027 N N . ALA A 133 ? 0.4725 0.6448 0.3826 0.0708 0.0513 0.0925 114 ALA H N 1028 C CA . ALA A 133 ? 0.4648 0.6294 0.3686 0.0732 0.0513 0.0840 114 ALA H CA 1029 C C . ALA A 133 ? 0.4826 0.6676 0.3628 0.0938 0.0538 0.0743 114 ALA H C 1030 O O . ALA A 133 ? 0.4774 0.6620 0.3404 0.1018 0.0495 0.0574 114 ALA H O 1031 C CB . ALA A 133 ? 0.4859 0.6123 0.3863 0.0594 0.0439 0.0635 114 ALA H CB 1032 N N . SER A 134 ? 0.4350 0.6343 0.3203 0.1014 0.0581 0.0829 115 SER H N 1033 C CA . SER A 134 ? 0.5013 0.7142 0.3733 0.1195 0.0569 0.0707 115 SER H CA 1034 C C . SER A 134 ? 0.4951 0.7019 0.3672 0.1196 0.0589 0.0697 115 SER H C 1035 O O . SER A 134 ? 0.4694 0.6635 0.3528 0.1060 0.0615 0.0797 115 SER H O 1036 C CB . SER A 134 ? 0.5674 0.8167 0.4496 0.1347 0.0606 0.0871 115 SER H CB 1037 O OG . SER A 134 ? 0.6507 0.9158 0.5591 0.1306 0.0671 0.1144 115 SER H OG 1038 N N . THR A 135 ? 0.4653 0.6815 0.3262 0.1355 0.0570 0.0578 116 THR H N 1039 C CA . THR A 135 ? 0.4124 0.6233 0.2721 0.1373 0.0586 0.0550 116 THR H CA 1040 C C . THR A 135 ? 0.3413 0.5608 0.2239 0.1282 0.0660 0.0819 116 THR H C 1041 O O . THR A 135 ? 0.3363 0.5821 0.2362 0.1334 0.0702 0.1034 116 THR H O 1042 C CB . THR A 135 ? 0.4677 0.6972 0.3178 0.1585 0.0562 0.0458 116 THR H CB 1043 O OG1 . THR A 135 ? 0.5035 0.7220 0.3372 0.1654 0.0466 0.0198 116 THR H OG1 1044 C CG2 . THR A 135 ? 0.3326 0.5562 0.1824 0.1600 0.0579 0.0434 116 THR H CG2 1045 N N . LYS A 136 ? 0.2896 0.4871 0.1748 0.1149 0.0665 0.0811 117 LYS H N 1046 C CA . LYS A 136 ? 0.3986 0.5996 0.3094 0.1050 0.0704 0.1039 117 LYS H CA 1047 C C . LYS A 136 ? 0.3921 0.5679 0.3058 0.0959 0.0668 0.0939 117 LYS H C 1048 O O . LYS A 136 ? 0.4012 0.5460 0.3090 0.0852 0.0597 0.0748 117 LYS H O 1049 C CB . LYS A 136 ? 0.3850 0.5772 0.3181 0.0884 0.0679 0.1171 117 LYS H CB 1050 C CG . LYS A 136 ? 0.4248 0.6125 0.3882 0.0757 0.0673 0.1354 117 LYS H CG 1051 C CD . LYS A 136 ? 0.4061 0.5858 0.3938 0.0613 0.0629 0.1468 117 LYS H CD 1052 C CE . LYS A 136 ? 0.4671 0.6369 0.4855 0.0484 0.0585 0.1592 117 LYS H CE 1053 N NZ . LYS A 136 ? 0.5255 0.7220 0.5592 0.0569 0.0653 0.1806 117 LYS H NZ 1054 N N . GLY A 137 ? 0.3231 0.5146 0.2474 0.1008 0.0720 0.1086 118 GLY H N 1055 C CA . GLY A 137 ? 0.2702 0.4416 0.1994 0.0929 0.0692 0.1024 118 GLY H CA 1056 C C . GLY A 137 ? 0.4432 0.5915 0.3942 0.0722 0.0634 0.1077 118 GLY H C 1057 O O . GLY A 137 ? 0.4888 0.6432 0.4586 0.0653 0.0629 0.1233 118 GLY H O 1058 N N . PRO A 138 ? 0.4049 0.5273 0.3542 0.0634 0.0584 0.0946 119 PRO H N 1059 C CA . PRO A 138 ? 0.4008 0.5003 0.3661 0.0461 0.0514 0.0950 119 PRO H CA 1060 C C . PRO A 138 ? 0.4333 0.5408 0.4247 0.0414 0.0513 0.1139 119 PRO H C 1061 O O . PRO A 138 ? 0.5049 0.6287 0.4986 0.0500 0.0567 0.1227 119 PRO H O 1062 C CB . PRO A 138 ? 0.4272 0.5015 0.3775 0.0427 0.0474 0.0739 119 PRO H CB 1063 C CG . PRO A 138 ? 0.4311 0.5174 0.3696 0.0563 0.0524 0.0702 119 PRO H CG 1064 C CD . PRO A 138 ? 0.4262 0.5405 0.3579 0.0708 0.0583 0.0775 119 PRO H CD 1065 N N . SER A 139 ? 0.4883 0.5844 0.5004 0.0287 0.0442 0.1194 120 SER H N 1066 C CA . SER A 139 ? 0.4756 0.5725 0.5149 0.0222 0.0402 0.1327 120 SER H CA 1067 C C . SER A 139 ? 0.3775 0.4482 0.4098 0.0145 0.0331 0.1160 120 SER H C 1068 O O . SER A 139 ? 0.4009 0.4518 0.4210 0.0089 0.0281 0.1000 120 SER H O 1069 C CB . SER A 139 ? 0.4102 0.5106 0.4805 0.0140 0.0341 0.1478 120 SER H CB 1070 O OG . SER A 139 ? 0.4273 0.5565 0.5093 0.0217 0.0415 0.1687 120 SER H OG 1071 N N . VAL A 140 ? 0.3141 0.3870 0.3545 0.0151 0.0331 0.1208 121 VAL H N 1072 C CA . VAL A 140 ? 0.3499 0.4018 0.3826 0.0099 0.0275 0.1064 121 VAL H CA 1073 C C . VAL A 140 ? 0.3513 0.3973 0.4104 0.0014 0.0174 0.1129 121 VAL H C 1074 O O . VAL A 140 ? 0.3271 0.3875 0.4103 0.0019 0.0173 0.1301 121 VAL H O 1075 C CB . VAL A 140 ? 0.2871 0.3425 0.3054 0.0177 0.0340 0.1026 121 VAL H CB 1076 C CG1 . VAL A 140 ? 0.2378 0.2729 0.2484 0.0126 0.0288 0.0890 121 VAL H CG1 1077 C CG2 . VAL A 140 ? 0.3234 0.3849 0.3183 0.0279 0.0415 0.0942 121 VAL H CG2 1078 N N . PHE A 141 ? 0.3483 0.3744 0.4039 -0.0054 0.0082 0.0991 122 PHE H N 1079 C CA . PHE A 141 ? 0.2684 0.2872 0.3469 -0.0118 -0.0042 0.1004 122 PHE H CA 1080 C C . PHE A 141 ? 0.3255 0.3291 0.3888 -0.0125 -0.0088 0.0851 122 PHE H C 1081 O O . PHE A 141 ? 0.3284 0.3221 0.3668 -0.0111 -0.0057 0.0716 122 PHE H O 1082 C CB . PHE A 141 ? 0.2162 0.2287 0.3101 -0.0174 -0.0139 0.0991 122 PHE H CB 1083 C CG . PHE A 141 ? 0.3659 0.3946 0.4781 -0.0170 -0.0098 0.1163 122 PHE H CG 1084 C CD1 . PHE A 141 ? 0.2755 0.3222 0.4192 -0.0166 -0.0094 0.1382 122 PHE H CD1 1085 C CD2 . PHE A 141 ? 0.4429 0.4709 0.5427 -0.0164 -0.0062 0.1123 122 PHE H CD2 1086 C CE1 . PHE A 141 ? 0.3048 0.3701 0.4672 -0.0151 -0.0047 0.1572 122 PHE H CE1 1087 C CE2 . PHE A 141 ? 0.4940 0.5394 0.6107 -0.0151 -0.0020 0.1296 122 PHE H CE2 1088 C CZ . PHE A 141 ? 0.2110 0.2760 0.3591 -0.0140 -0.0009 0.1528 122 PHE H CZ 1089 N N . PRO A 142 ? 0.4325 0.4360 0.5129 -0.0142 -0.0163 0.0886 123 PRO H N 1090 C CA . PRO A 142 ? 0.4745 0.4667 0.5424 -0.0138 -0.0215 0.0758 123 PRO H CA 1091 C C . PRO A 142 ? 0.4658 0.4449 0.5301 -0.0158 -0.0330 0.0614 123 PRO H C 1092 O O . PRO A 142 ? 0.4317 0.4093 0.5169 -0.0191 -0.0434 0.0627 123 PRO H O 1093 C CB . PRO A 142 ? 0.3440 0.3426 0.4360 -0.0147 -0.0275 0.0857 123 PRO H CB 1094 C CG . PRO A 142 ? 0.2931 0.3011 0.4178 -0.0182 -0.0321 0.1008 123 PRO H CG 1095 C CD . PRO A 142 ? 0.4387 0.4549 0.5532 -0.0161 -0.0203 0.1066 123 PRO H CD 1096 N N . LEU A 143 ? 0.4190 0.3901 0.4585 -0.0129 -0.0313 0.0486 124 LEU H N 1097 C CA . LEU A 143 ? 0.3134 0.2755 0.3461 -0.0119 -0.0415 0.0348 124 LEU H CA 1098 C C . LEU A 143 ? 0.2993 0.2606 0.3308 -0.0083 -0.0490 0.0294 124 LEU H C 1099 O O . LEU A 143 ? 0.4064 0.3679 0.4184 -0.0044 -0.0425 0.0261 124 LEU H O 1100 C CB . LEU A 143 ? 0.3527 0.3099 0.3594 -0.0098 -0.0336 0.0267 124 LEU H CB 1101 C CG . LEU A 143 ? 0.3065 0.2640 0.3121 -0.0125 -0.0273 0.0299 124 LEU H CG 1102 C CD1 . LEU A 143 ? 0.2287 0.1821 0.2106 -0.0105 -0.0186 0.0234 124 LEU H CD1 1103 C CD2 . LEU A 143 ? 0.2655 0.2199 0.2867 -0.0152 -0.0382 0.0275 124 LEU H CD2 1104 N N . ALA A 144 ? 0.3334 0.2947 0.3884 -0.0093 -0.0634 0.0291 125 ALA H N 1105 C CA . ALA A 144 ? 0.4691 0.4316 0.5270 -0.0056 -0.0722 0.0248 125 ALA H CA 1106 C C . ALA A 144 ? 0.5717 0.5312 0.6077 0.0022 -0.0783 0.0088 125 ALA H C 1107 O O . ALA A 144 ? 0.6227 0.5779 0.6506 0.0043 -0.0823 -0.0008 125 ALA H O 1108 C CB . ALA A 144 ? 0.4960 0.4591 0.5894 -0.0087 -0.0881 0.0284 125 ALA H CB 1109 N N . PRO A 145 ? 0.6182 0.5820 0.6444 0.0074 -0.0783 0.0070 126 PRO H N 1110 C CA . PRO A 145 ? 0.6705 0.6367 0.6769 0.0173 -0.0842 -0.0057 126 PRO H CA 1111 C C . PRO A 145 ? 0.6900 0.6558 0.7111 0.0224 -0.1059 -0.0177 126 PRO H C 1112 O O . PRO A 145 ? 0.7552 0.7202 0.7675 0.0300 -0.1160 -0.0320 126 PRO H O 1113 C CB . PRO A 145 ? 0.6579 0.6310 0.6522 0.0200 -0.0737 0.0015 126 PRO H CB 1114 C CG . PRO A 145 ? 0.5874 0.5608 0.6034 0.0130 -0.0724 0.0132 126 PRO H CG 1115 C CD . PRO A 145 ? 0.5307 0.4998 0.5625 0.0051 -0.0704 0.0190 126 PRO H CD 1116 N N . SER A 151 ? 1.0619 1.1046 0.9845 0.1225 -0.1716 -0.0925 132 SER H N 1117 C CA . SER A 151 ? 1.0546 1.1082 0.9722 0.1229 -0.1614 -0.0784 132 SER H CA 1118 C C . SER A 151 ? 1.0849 1.1574 0.9726 0.1329 -0.1421 -0.0672 132 SER H C 1119 O O . SER A 151 ? 1.1123 1.1929 0.9813 0.1433 -0.1399 -0.0729 132 SER H O 1120 C CB . SER A 151 ? 1.0642 1.1258 0.9876 0.1344 -0.1827 -0.0916 132 SER H CB 1121 O OG . SER A 151 ? 1.0761 1.1495 0.9939 0.1354 -0.1725 -0.0775 132 SER H OG 1122 N N . GLY A 152 ? 1.0589 1.1392 0.9448 0.1300 -0.1284 -0.0501 133 GLY H N 1123 C CA . GLY A 152 ? 1.0183 1.1168 0.8832 0.1381 -0.1098 -0.0354 133 GLY H CA 1124 C C . GLY A 152 ? 1.0218 1.1122 0.8843 0.1288 -0.0934 -0.0259 133 GLY H C 1125 O O . GLY A 152 ? 1.1114 1.1820 0.9871 0.1156 -0.0952 -0.0300 133 GLY H O 1126 N N . GLY A 153 ? 0.9118 1.0186 0.7597 0.1360 -0.0777 -0.0120 134 GLY H N 1127 C CA . GLY A 153 ? 0.8721 0.9724 0.7194 0.1280 -0.0627 -0.0024 134 GLY H CA 1128 C C . GLY A 153 ? 0.8751 0.9529 0.7419 0.1068 -0.0536 0.0066 134 GLY H C 1129 O O . GLY A 153 ? 0.8555 0.9268 0.7352 0.0991 -0.0539 0.0111 134 GLY H O 1130 N N . THR A 154 ? 0.8230 0.8904 0.6915 0.0987 -0.0456 0.0089 135 THR H N 1131 C CA . THR A 154 ? 0.6390 0.6877 0.5230 0.0813 -0.0365 0.0166 135 THR H CA 1132 C C . THR A 154 ? 0.5775 0.6092 0.4699 0.0729 -0.0464 0.0038 135 THR H C 1133 O O . THR A 154 ? 0.6145 0.6478 0.5013 0.0800 -0.0590 -0.0101 135 THR H O 1134 C CB . THR A 154 ? 0.5104 0.5586 0.3942 0.0771 -0.0207 0.0292 135 THR H CB 1135 O OG1 . THR A 154 ? 0.5568 0.6060 0.4310 0.0811 -0.0221 0.0224 135 THR H OG1 1136 C CG2 . THR A 154 ? 0.4334 0.5001 0.3141 0.0857 -0.0110 0.0447 135 THR H CG2 1137 N N . ALA A 155 ? 0.4850 0.5017 0.3918 0.0589 -0.0412 0.0088 136 ALA H N 1138 C CA . ALA A 155 ? 0.4048 0.4078 0.3228 0.0505 -0.0489 0.0008 136 ALA H CA 1139 C C . ALA A 155 ? 0.3610 0.3533 0.2842 0.0394 -0.0369 0.0080 136 ALA H C 1140 O O . ALA A 155 ? 0.3778 0.3697 0.3028 0.0358 -0.0254 0.0183 136 ALA H O 1141 C CB . ALA A 155 ? 0.3030 0.3021 0.2381 0.0467 -0.0598 -0.0015 136 ALA H CB 1142 N N . ALA A 156 ? 0.3008 0.2849 0.2273 0.0350 -0.0407 0.0018 137 ALA H N 1143 C CA . ALA A 156 ? 0.2635 0.2389 0.1941 0.0259 -0.0310 0.0069 137 ALA H CA 1144 C C . ALA A 156 ? 0.3395 0.3078 0.2877 0.0177 -0.0351 0.0082 137 ALA H C 1145 O O . ALA A 156 ? 0.3891 0.3542 0.3465 0.0165 -0.0459 0.0019 137 ALA H O 1146 C CB . ALA A 156 ? 0.2644 0.2380 0.1854 0.0274 -0.0298 0.0019 137 ALA H CB 1147 N N . LEU A 157 ? 0.3156 0.2830 0.2703 0.0128 -0.0265 0.0173 138 LEU H N 1148 C CA . LEU A 157 ? 0.3510 0.3160 0.3220 0.0064 -0.0272 0.0222 138 LEU H CA 1149 C C . LEU A 157 ? 0.3398 0.3020 0.3065 0.0030 -0.0157 0.0262 138 LEU H C 1150 O O . LEU A 157 ? 0.4780 0.4394 0.4341 0.0048 -0.0073 0.0269 138 LEU H O 1151 C CB . LEU A 157 ? 0.3783 0.3479 0.3606 0.0062 -0.0278 0.0294 138 LEU H CB 1152 C CG . LEU A 157 ? 0.4290 0.4010 0.4045 0.0077 -0.0162 0.0357 138 LEU H CG 1153 C CD1 . LEU A 157 ? 0.4902 0.4618 0.4703 0.0045 -0.0071 0.0419 138 LEU H CD1 1154 C CD2 . LEU A 157 ? 0.4462 0.4236 0.4276 0.0104 -0.0198 0.0392 138 LEU H CD2 1155 N N . GLY A 158 ? 0.3519 0.3135 0.3286 -0.0011 -0.0161 0.0291 139 GLY H N 1156 C CA . GLY A 158 ? 0.4028 0.3635 0.3741 -0.0025 -0.0065 0.0313 139 GLY H CA 1157 C C . GLY A 158 ? 0.3670 0.3332 0.3514 -0.0050 -0.0051 0.0389 139 GLY H C 1158 O O . GLY A 158 ? 0.4304 0.4013 0.4325 -0.0068 -0.0111 0.0452 139 GLY H O 1159 N N . CYS A 159 ? 0.3328 0.2998 0.3101 -0.0044 0.0025 0.0392 140 CYS H N 1160 C CA . CYS A 159 ? 0.3341 0.3100 0.3211 -0.0047 0.0054 0.0475 140 CYS H CA 1161 C C . CYS A 159 ? 0.4069 0.3802 0.3879 -0.0060 0.0061 0.0435 140 CYS H C 1162 O O . CYS A 159 ? 0.3401 0.3071 0.3059 -0.0048 0.0098 0.0355 140 CYS H O 1163 C CB . CYS A 159 ? 0.2647 0.2491 0.2482 0.0007 0.0145 0.0525 140 CYS H CB 1164 S SG . CYS A 159 ? 0.7404 0.7330 0.7372 0.0025 0.0143 0.0623 140 CYS H SG 1165 N N . LEU A 160 ? 0.4107 0.3891 0.4065 -0.0087 0.0022 0.0502 141 LEU H N 1166 C CA . LEU A 160 ? 0.3357 0.3135 0.3282 -0.0100 0.0029 0.0484 141 LEU H CA 1167 C C . LEU A 160 ? 0.3555 0.3471 0.3474 -0.0056 0.0115 0.0568 141 LEU H C 1168 O O . LEU A 160 ? 0.3704 0.3756 0.3797 -0.0048 0.0122 0.0707 141 LEU H O 1169 C CB . LEU A 160 ? 0.2306 0.2064 0.2419 -0.0148 -0.0071 0.0508 141 LEU H CB 1170 C CG . LEU A 160 ? 0.3850 0.3624 0.3985 -0.0165 -0.0067 0.0522 141 LEU H CG 1171 C CD1 . LEU A 160 ? 0.3093 0.2762 0.3007 -0.0161 -0.0048 0.0389 141 LEU H CD1 1172 C CD2 . LEU A 160 ? 0.4147 0.3910 0.4540 -0.0210 -0.0180 0.0566 141 LEU H CD2 1173 N N . VAL A 161 ? 0.2216 0.2113 0.1948 -0.0016 0.0174 0.0490 142 VAL H N 1174 C CA . VAL A 161 ? 0.2671 0.2708 0.2354 0.0053 0.0244 0.0535 142 VAL H CA 1175 C C . VAL A 161 ? 0.2779 0.2841 0.2478 0.0034 0.0234 0.0550 142 VAL H C 1176 O O . VAL A 161 ? 0.2995 0.2960 0.2567 0.0023 0.0227 0.0441 142 VAL H O 1177 C CB . VAL A 161 ? 0.2742 0.2738 0.2239 0.0116 0.0287 0.0418 142 VAL H CB 1178 C CG1 . VAL A 161 ? 0.2961 0.3126 0.2394 0.0219 0.0346 0.0446 142 VAL H CG1 1179 C CG2 . VAL A 161 ? 0.2315 0.2259 0.1809 0.0125 0.0289 0.0396 142 VAL H CG2 1180 N N . LYS A 162 ? 0.2463 0.2665 0.2344 0.0029 0.0233 0.0700 143 LYS H N 1181 C CA . LYS A 162 ? 0.3665 0.3881 0.3623 -0.0007 0.0206 0.0735 143 LYS H CA 1182 C C . LYS A 162 ? 0.4080 0.4496 0.4011 0.0068 0.0276 0.0825 143 LYS H C 1183 O O . LYS A 162 ? 0.3779 0.4400 0.3768 0.0143 0.0336 0.0957 143 LYS H O 1184 C CB . LYS A 162 ? 0.3862 0.4073 0.4106 -0.0078 0.0124 0.0840 143 LYS H CB 1185 C CG . LYS A 162 ? 0.4562 0.4674 0.4872 -0.0138 0.0054 0.0797 143 LYS H CG 1186 C CD . LYS A 162 ? 0.5097 0.5217 0.5745 -0.0196 -0.0045 0.0903 143 LYS H CD 1187 C CE . LYS A 162 ? 0.4958 0.5295 0.5846 -0.0180 -0.0008 0.1125 143 LYS H CE 1188 N NZ . LYS A 162 ? 0.3990 0.4321 0.5274 -0.0245 -0.0123 0.1236 143 LYS H NZ 1189 N N . ASP A 163 ? 0.2876 0.3249 0.2722 0.0057 0.0269 0.0762 144 ASP H N 1190 C CA . ASP A 163 ? 0.3594 0.4163 0.3424 0.0127 0.0323 0.0849 144 ASP H CA 1191 C C . ASP A 163 ? 0.3415 0.4170 0.3074 0.0266 0.0402 0.0846 144 ASP H C 1192 O O . ASP A 163 ? 0.4074 0.5089 0.3813 0.0349 0.0460 0.1014 144 ASP H O 1193 C CB . ASP A 163 ? 0.3259 0.3992 0.3385 0.0103 0.0317 0.1073 144 ASP H CB 1194 C CG . ASP A 163 ? 0.4691 0.5266 0.4990 -0.0011 0.0224 0.1061 144 ASP H CG 1195 O OD1 . ASP A 163 ? 0.5077 0.5499 0.5229 -0.0043 0.0196 0.0914 144 ASP H OD1 1196 O OD2 . ASP A 163 ? 0.5850 0.6456 0.6449 -0.0062 0.0171 0.1197 144 ASP H OD2 1197 N N . TYR A 164 ? 0.2949 0.3583 0.2389 0.0301 0.0398 0.0658 145 TYR H N 1198 C CA . TYR A 164 ? 0.3220 0.4002 0.2483 0.0448 0.0446 0.0600 145 TYR H CA 1199 C C . TYR A 164 ? 0.3244 0.3988 0.2334 0.0493 0.0425 0.0451 145 TYR H C 1200 O O . TYR A 164 ? 0.3764 0.4321 0.2849 0.0397 0.0378 0.0367 145 TYR H O 1201 C CB . TYR A 164 ? 0.3623 0.4307 0.2819 0.0472 0.0441 0.0501 145 TYR H CB 1202 C CG . TYR A 164 ? 0.3976 0.4382 0.3103 0.0392 0.0383 0.0322 145 TYR H CG 1203 C CD1 . TYR A 164 ? 0.2551 0.2884 0.1535 0.0443 0.0357 0.0154 145 TYR H CD1 1204 C CD2 . TYR A 164 ? 0.2400 0.2634 0.1623 0.0274 0.0348 0.0328 145 TYR H CD2 1205 C CE1 . TYR A 164 ? 0.4111 0.4213 0.3079 0.0370 0.0307 0.0026 145 TYR H CE1 1206 C CE2 . TYR A 164 ? 0.2390 0.2413 0.1560 0.0217 0.0307 0.0197 145 TYR H CE2 1207 C CZ . TYR A 164 ? 0.3742 0.3703 0.2799 0.0260 0.0291 0.0060 145 TYR H CZ 1208 O OH . TYR A 164 ? 0.2766 0.2539 0.1817 0.0203 0.0254 -0.0037 145 TYR H OH 1209 N N . PHE A 165 ? 0.3440 0.4375 0.2391 0.0650 0.0457 0.0415 146 PHE H N 1210 C CA . PHE A 165 ? 0.2716 0.3631 0.1505 0.0715 0.0422 0.0257 146 PHE H CA 1211 C C . PHE A 165 ? 0.4200 0.5323 0.2830 0.0919 0.0440 0.0184 146 PHE H C 1212 O O . PHE A 165 ? 0.5028 0.6427 0.3667 0.1032 0.0509 0.0332 146 PHE H O 1213 C CB . PHE A 165 ? 0.5657 0.6665 0.4489 0.0686 0.0430 0.0352 146 PHE H CB 1214 C CG . PHE A 165 ? 0.5894 0.6893 0.4570 0.0752 0.0389 0.0196 146 PHE H CG 1215 C CD1 . PHE A 165 ? 0.4954 0.5694 0.3624 0.0642 0.0322 0.0059 146 PHE H CD1 1216 C CD2 . PHE A 165 ? 0.5788 0.7057 0.4329 0.0936 0.0412 0.0191 146 PHE H CD2 1217 C CE1 . PHE A 165 ? 0.4053 0.4783 0.2609 0.0698 0.0274 -0.0080 146 PHE H CE1 1218 C CE2 . PHE A 165 ? 0.5033 0.6297 0.3437 0.1004 0.0358 0.0033 146 PHE H CE2 1219 C CZ . PHE A 165 ? 0.4260 0.5243 0.2684 0.0877 0.0284 -0.0103 146 PHE H CZ 1220 N N . PRO A 166 ? 0.3624 0.4625 0.2123 0.0978 0.0371 -0.0045 147 PRO H N 1221 C CA . PRO A 166 ? 0.2923 0.3621 0.1451 0.0846 0.0294 -0.0187 147 PRO H CA 1222 C C . PRO A 166 ? 0.5248 0.5723 0.3846 0.0767 0.0267 -0.0254 147 PRO H C 1223 O O . PRO A 166 ? 0.5145 0.5689 0.3768 0.0804 0.0306 -0.0191 147 PRO H O 1224 C CB . PRO A 166 ? 0.3075 0.3798 0.1467 0.0976 0.0224 -0.0386 147 PRO H CB 1225 C CG . PRO A 166 ? 0.3223 0.4153 0.1510 0.1174 0.0240 -0.0428 147 PRO H CG 1226 C CD . PRO A 166 ? 0.3160 0.4331 0.1493 0.1192 0.0352 -0.0179 147 PRO H CD 1227 N N . GLU A 167 ? 0.4869 0.5099 0.3514 0.0663 0.0204 -0.0362 148 GLU H N 1228 C CA . GLU A 167 ? 0.5136 0.5177 0.3851 0.0617 0.0171 -0.0438 148 GLU H CA 1229 C C . GLU A 167 ? 0.5306 0.5403 0.3957 0.0775 0.0130 -0.0582 148 GLU H C 1230 O O . GLU A 167 ? 0.4953 0.5184 0.3496 0.0910 0.0102 -0.0671 148 GLU H O 1231 C CB . GLU A 167 ? 0.4444 0.4257 0.3235 0.0505 0.0111 -0.0514 148 GLU H CB 1232 C CG . GLU A 167 ? 0.3197 0.2934 0.2051 0.0360 0.0141 -0.0397 148 GLU H CG 1233 C CD . GLU A 167 ? 0.4403 0.4036 0.3342 0.0276 0.0160 -0.0332 148 GLU H CD 1234 O OE1 . GLU A 167 ? 0.3811 0.3512 0.2753 0.0315 0.0191 -0.0285 148 GLU H OE1 1235 O OE2 . GLU A 167 ? 0.5306 0.4807 0.4306 0.0182 0.0145 -0.0322 148 GLU H OE2 1236 N N . PRO A 168 ? 0.5397 0.5400 0.4113 0.0772 0.0121 -0.0612 149 PRO H N 1237 C CA . PRO A 168 ? 0.4519 0.4396 0.3346 0.0634 0.0155 -0.0503 149 PRO H CA 1238 C C . PRO A 168 ? 0.3598 0.3596 0.2429 0.0667 0.0221 -0.0389 149 PRO H C 1239 O O . PRO A 168 ? 0.3985 0.4180 0.2735 0.0803 0.0252 -0.0379 149 PRO H O 1240 C CB . PRO A 168 ? 0.4343 0.4020 0.3274 0.0611 0.0083 -0.0627 149 PRO H CB 1241 C CG . PRO A 168 ? 0.4844 0.4589 0.3719 0.0780 0.0025 -0.0787 149 PRO H CG 1242 C CD . PRO A 168 ? 0.4672 0.4626 0.3390 0.0890 0.0042 -0.0796 149 PRO H CD 1243 N N . VAL A 169 ? 0.3712 0.3605 0.2638 0.0553 0.0241 -0.0301 150 VAL H N 1244 C CA . VAL A 169 ? 0.3705 0.3677 0.2667 0.0569 0.0290 -0.0201 150 VAL H CA 1245 C C . VAL A 169 ? 0.3635 0.3441 0.2682 0.0520 0.0264 -0.0242 150 VAL H C 1246 O O . VAL A 169 ? 0.2986 0.2626 0.2090 0.0441 0.0224 -0.0290 150 VAL H O 1247 C CB . VAL A 169 ? 0.4446 0.4483 0.3470 0.0479 0.0333 -0.0027 150 VAL H CB 1248 C CG1 . VAL A 169 ? 0.5799 0.6004 0.4787 0.0515 0.0359 0.0045 150 VAL H CG1 1249 C CG2 . VAL A 169 ? 0.4404 0.4258 0.3498 0.0338 0.0303 -0.0017 150 VAL H CG2 1250 N N . THR A 170 ? 0.4278 0.4148 0.3345 0.0573 0.0293 -0.0204 151 THR H N 1251 C CA . THR A 170 ? 0.3541 0.3280 0.2700 0.0534 0.0277 -0.0219 151 THR H CA 1252 C C . THR A 170 ? 0.4012 0.3794 0.3224 0.0472 0.0321 -0.0072 151 THR H C 1253 O O . THR A 170 ? 0.2653 0.2594 0.1851 0.0504 0.0364 0.0027 151 THR H O 1254 C CB . THR A 170 ? 0.3889 0.3642 0.3048 0.0662 0.0252 -0.0332 151 THR H CB 1255 O OG1 . THR A 170 ? 0.4841 0.4800 0.3927 0.0774 0.0305 -0.0278 151 THR H OG1 1256 C CG2 . THR A 170 ? 0.3000 0.2699 0.2132 0.0733 0.0179 -0.0503 151 THR H CG2 1257 N N . VAL A 171 ? 0.3556 0.3212 0.2847 0.0390 0.0306 -0.0051 152 VAL H N 1258 C CA . VAL A 171 ? 0.3686 0.3373 0.3031 0.0335 0.0329 0.0068 152 VAL H CA 1259 C C . VAL A 171 ? 0.3271 0.2879 0.2690 0.0326 0.0323 0.0068 152 VAL H C 1260 O O . VAL A 171 ? 0.3426 0.2915 0.2889 0.0292 0.0296 0.0026 152 VAL H O 1261 C CB . VAL A 171 ? 0.2915 0.2561 0.2272 0.0233 0.0311 0.0124 152 VAL H CB 1262 C CG1 . VAL A 171 ? 0.4393 0.4077 0.3818 0.0192 0.0311 0.0225 152 VAL H CG1 1263 C CG2 . VAL A 171 ? 0.3033 0.2752 0.2346 0.0234 0.0314 0.0135 152 VAL H CG2 1264 N N . SER A 172 ? 0.2682 0.2369 0.2132 0.0359 0.0350 0.0133 153 SER H N 1265 C CA . SER A 172 ? 0.3283 0.2913 0.2811 0.0348 0.0348 0.0156 153 SER H CA 1266 C C . SER A 172 ? 0.2500 0.2199 0.2067 0.0305 0.0359 0.0273 153 SER H C 1267 O O . SER A 172 ? 0.3946 0.3736 0.3509 0.0293 0.0365 0.0336 153 SER H O 1268 C CB . SER A 172 ? 0.3116 0.2765 0.2668 0.0449 0.0356 0.0095 153 SER H CB 1269 O OG . SER A 172 ? 0.4782 0.4579 0.4317 0.0513 0.0397 0.0160 153 SER H OG 1270 N N . TRP A 173 ? 0.3915 0.3575 0.3544 0.0285 0.0354 0.0308 154 TRP H N 1271 C CA . TRP A 173 ? 0.2448 0.2166 0.2124 0.0251 0.0347 0.0405 154 TRP H CA 1272 C C . TRP A 173 ? 0.4788 0.4550 0.4528 0.0298 0.0372 0.0446 154 TRP H C 1273 O O . TRP A 173 ? 0.4651 0.4349 0.4422 0.0320 0.0377 0.0416 154 TRP H O 1274 C CB . TRP A 173 ? 0.2413 0.2070 0.2088 0.0188 0.0308 0.0416 154 TRP H CB 1275 C CG . TRP A 173 ? 0.3243 0.2882 0.2868 0.0144 0.0276 0.0392 154 TRP H CG 1276 C CD1 . TRP A 173 ? 0.3548 0.3123 0.3117 0.0132 0.0275 0.0329 154 TRP H CD1 1277 C CD2 . TRP A 173 ? 0.2905 0.2588 0.2558 0.0108 0.0231 0.0429 154 TRP H CD2 1278 N NE1 . TRP A 173 ? 0.3692 0.3271 0.3232 0.0093 0.0241 0.0325 154 TRP H NE1 1279 C CE2 . TRP A 173 ? 0.3299 0.2940 0.2899 0.0078 0.0207 0.0381 154 TRP H CE2 1280 C CE3 . TRP A 173 ? 0.2720 0.2472 0.2469 0.0097 0.0196 0.0498 154 TRP H CE3 1281 C CZ2 . TRP A 173 ? 0.3445 0.3103 0.3083 0.0043 0.0149 0.0392 154 TRP H CZ2 1282 C CZ3 . TRP A 173 ? 0.3895 0.3660 0.3703 0.0059 0.0129 0.0510 154 TRP H CZ3 1283 C CH2 . TRP A 173 ? 0.4096 0.3812 0.3850 0.0033 0.0104 0.0454 154 TRP H CH2 1284 N N . ASN A 174 ? 0.3732 0.3608 0.3516 0.0314 0.0385 0.0528 155 ASN H N 1285 C CA . ASN A 174 ? 0.3236 0.3174 0.3084 0.0363 0.0413 0.0580 155 ASN H CA 1286 C C . ASN A 174 ? 0.3354 0.3280 0.3172 0.0457 0.0447 0.0500 155 ASN H C 1287 O O . ASN A 174 ? 0.3842 0.3735 0.3713 0.0486 0.0453 0.0493 155 ASN H O 1288 C CB . ASN A 174 ? 0.2749 0.2638 0.2653 0.0319 0.0385 0.0617 155 ASN H CB 1289 C CG . ASN A 174 ? 0.3158 0.3077 0.3104 0.0254 0.0332 0.0678 155 ASN H CG 1290 O OD1 . ASN A 174 ? 0.2852 0.2804 0.2806 0.0227 0.0309 0.0691 155 ASN H OD1 1291 N ND2 . ASN A 174 ? 0.3566 0.3479 0.3552 0.0236 0.0301 0.0712 155 ASN H ND2 1292 N N . SER A 175 ? 0.3510 0.3467 0.3252 0.0510 0.0458 0.0432 156 SER H N 1293 C CA . SER A 175 ? 0.3806 0.3762 0.3513 0.0623 0.0467 0.0324 156 SER H CA 1294 C C . SER A 175 ? 0.4198 0.3986 0.3963 0.0610 0.0427 0.0229 156 SER H C 1295 O O . SER A 175 ? 0.4546 0.4311 0.4348 0.0698 0.0416 0.0148 156 SER H O 1296 C CB . SER A 175 ? 0.3022 0.3123 0.2750 0.0727 0.0512 0.0374 156 SER H CB 1297 O OG . SER A 175 ? 0.4359 0.4646 0.4062 0.0758 0.0554 0.0477 156 SER H OG 1298 N N . GLY A 176 ? 0.4142 0.3823 0.3934 0.0508 0.0400 0.0245 157 GLY H N 1299 C CA . GLY A 176 ? 0.2721 0.2267 0.2610 0.0490 0.0365 0.0194 157 GLY H CA 1300 C C . GLY A 176 ? 0.2691 0.2217 0.2684 0.0450 0.0372 0.0289 157 GLY H C 1301 O O . GLY A 176 ? 0.3553 0.2993 0.3667 0.0434 0.0350 0.0288 157 GLY H O 1302 N N . ALA A 177 ? 0.2647 0.2267 0.2618 0.0439 0.0399 0.0382 158 ALA H N 1303 C CA . ALA A 177 ? 0.4144 0.3770 0.4199 0.0409 0.0402 0.0475 158 ALA H CA 1304 C C . ALA A 177 ? 0.3968 0.3575 0.4002 0.0334 0.0384 0.0527 158 ALA H C 1305 O O . ALA A 177 ? 0.3401 0.3017 0.3501 0.0320 0.0383 0.0599 158 ALA H O 1306 C CB . ALA A 177 ? 0.3079 0.2816 0.3131 0.0427 0.0425 0.0551 158 ALA H CB 1307 N N . LEU A 178 ? 0.2569 0.2168 0.2510 0.0299 0.0369 0.0492 159 LEU H N 1308 C CA . LEU A 178 ? 0.2950 0.2545 0.2851 0.0247 0.0347 0.0523 159 LEU H CA 1309 C C . LEU A 178 ? 0.3801 0.3325 0.3679 0.0230 0.0339 0.0462 159 LEU H C 1310 O O . LEU A 178 ? 0.4761 0.4276 0.4563 0.0221 0.0331 0.0403 159 LEU H O 1311 C CB . LEU A 178 ? 0.2687 0.2348 0.2517 0.0219 0.0319 0.0545 159 LEU H CB 1312 C CG . LEU A 178 ? 0.4003 0.3676 0.3775 0.0189 0.0280 0.0554 159 LEU H CG 1313 C CD1 . LEU A 178 ? 0.4014 0.3737 0.3817 0.0210 0.0277 0.0622 159 LEU H CD1 1314 C CD2 . LEU A 178 ? 0.4676 0.4385 0.4413 0.0163 0.0229 0.0541 159 LEU H CD2 1315 N N . THR A 179 ? 0.3237 0.2723 0.3202 0.0226 0.0341 0.0492 160 THR H N 1316 C CA . THR A 179 ? 0.3484 0.2906 0.3466 0.0207 0.0330 0.0453 160 THR H CA 1317 C C . THR A 179 ? 0.3586 0.3055 0.3571 0.0187 0.0336 0.0538 160 THR H C 1318 O O . THR A 179 ? 0.4208 0.3651 0.4192 0.0169 0.0331 0.0526 160 THR H O 1319 C CB . THR A 179 ? 0.3666 0.3001 0.3814 0.0233 0.0318 0.0410 160 THR H CB 1320 O OG1 . THR A 179 ? 0.4608 0.3955 0.4917 0.0247 0.0328 0.0501 160 THR H OG1 1321 C CG2 . THR A 179 ? 0.2623 0.1934 0.2732 0.0282 0.0307 0.0300 160 THR H CG2 1322 N N . SER A 180 ? 0.2958 0.2514 0.2942 0.0204 0.0346 0.0626 161 SER H N 1323 C CA . SER A 180 ? 0.2502 0.2150 0.2467 0.0217 0.0355 0.0715 161 SER H CA 1324 C C . SER A 180 ? 0.2485 0.2171 0.2271 0.0212 0.0325 0.0661 161 SER H C 1325 O O . SER A 180 ? 0.3181 0.2879 0.2880 0.0206 0.0291 0.0612 161 SER H O 1326 C CB . SER A 180 ? 0.4103 0.3856 0.4111 0.0256 0.0369 0.0821 161 SER H CB 1327 O OG . SER A 180 ? 0.3566 0.3449 0.3536 0.0296 0.0381 0.0911 161 SER H OG 1328 N N . GLY A 181 ? 0.2781 0.2491 0.2542 0.0216 0.0331 0.0677 162 GLY H N 1329 C CA . GLY A 181 ? 0.2564 0.2308 0.2168 0.0221 0.0296 0.0620 162 GLY H CA 1330 C C . GLY A 181 ? 0.3061 0.2704 0.2609 0.0172 0.0268 0.0508 162 GLY H C 1331 O O . GLY A 181 ? 0.3147 0.2805 0.2595 0.0169 0.0222 0.0451 162 GLY H O 1332 N N . VAL A 182 ? 0.2784 0.2335 0.2411 0.0142 0.0287 0.0476 163 VAL H N 1333 C CA . VAL A 182 ? 0.3106 0.2592 0.2680 0.0111 0.0270 0.0386 163 VAL H CA 1334 C C . VAL A 182 ? 0.3502 0.2945 0.3063 0.0092 0.0271 0.0354 163 VAL H C 1335 O O . VAL A 182 ? 0.3168 0.2574 0.2832 0.0092 0.0288 0.0375 163 VAL H O 1336 C CB . VAL A 182 ? 0.2911 0.2347 0.2548 0.0116 0.0284 0.0351 163 VAL H CB 1337 C CG1 . VAL A 182 ? 0.2621 0.2032 0.2195 0.0104 0.0273 0.0275 163 VAL H CG1 1338 C CG2 . VAL A 182 ? 0.3919 0.3406 0.3577 0.0136 0.0287 0.0391 163 VAL H CG2 1339 N N . HIS A 183 ? 0.3893 0.3340 0.3354 0.0075 0.0244 0.0306 164 HIS H N 1340 C CA . HIS A 183 ? 0.3687 0.3099 0.3127 0.0057 0.0244 0.0275 164 HIS H CA 1341 C C . HIS A 183 ? 0.3830 0.3203 0.3216 0.0030 0.0224 0.0201 164 HIS H C 1342 O O . HIS A 183 ? 0.3775 0.3173 0.3101 0.0020 0.0192 0.0183 164 HIS H O 1343 C CB . HIS A 183 ? 0.2876 0.2357 0.2249 0.0080 0.0234 0.0305 164 HIS H CB 1344 C CG . HIS A 183 ? 0.5134 0.4594 0.4501 0.0068 0.0243 0.0294 164 HIS H CG 1345 N ND1 . HIS A 183 ? 0.5554 0.4930 0.4968 0.0031 0.0246 0.0249 164 HIS H ND1 1346 C CD2 . HIS A 183 ? 0.5170 0.4696 0.4487 0.0099 0.0246 0.0323 164 HIS H CD2 1347 C CE1 . HIS A 183 ? 0.4776 0.4155 0.4185 0.0026 0.0250 0.0254 164 HIS H CE1 1348 N NE2 . HIS A 183 ? 0.4601 0.4074 0.3952 0.0067 0.0255 0.0304 164 HIS H NE2 1349 N N . THR A 184 ? 0.4414 0.3734 0.3837 0.0026 0.0235 0.0158 165 THR H N 1350 C CA . THR A 184 ? 0.3995 0.3308 0.3366 0.0016 0.0225 0.0100 165 THR H CA 1351 C C . THR A 184 ? 0.4246 0.3524 0.3592 -0.0007 0.0215 0.0069 165 THR H C 1352 O O . THR A 184 ? 0.3798 0.3029 0.3207 -0.0006 0.0217 0.0055 165 THR H O 1353 C CB . THR A 184 ? 0.3725 0.3030 0.3123 0.0052 0.0235 0.0055 165 THR H CB 1354 O OG1 . THR A 184 ? 0.4191 0.3543 0.3609 0.0078 0.0248 0.0092 165 THR H OG1 1355 C CG2 . THR A 184 ? 0.2387 0.1724 0.1720 0.0061 0.0231 0.0011 165 THR H CG2 1356 N N . PHE A 185 ? 0.3317 0.2617 0.2598 -0.0028 0.0196 0.0061 166 PHE H N 1357 C CA . PHE A 185 ? 0.2676 0.1951 0.1928 -0.0048 0.0187 0.0035 166 PHE H CA 1358 C C . PHE A 185 ? 0.3763 0.3020 0.3003 -0.0051 0.0186 -0.0018 166 PHE H C 1359 O O . PHE A 185 ? 0.3098 0.2397 0.2323 -0.0035 0.0190 -0.0024 166 PHE H O 1360 C CB . PHE A 185 ? 0.2285 0.1588 0.1486 -0.0059 0.0156 0.0039 166 PHE H CB 1361 C CG . PHE A 185 ? 0.3556 0.2896 0.2740 -0.0031 0.0146 0.0070 166 PHE H CG 1362 C CD1 . PHE A 185 ? 0.3245 0.2619 0.2447 -0.0011 0.0139 0.0098 166 PHE H CD1 1363 C CD2 . PHE A 185 ? 0.3558 0.2919 0.2703 -0.0012 0.0145 0.0074 166 PHE H CD2 1364 C CE1 . PHE A 185 ? 0.3320 0.2751 0.2492 0.0032 0.0126 0.0124 166 PHE H CE1 1365 C CE2 . PHE A 185 ? 0.3435 0.2869 0.2544 0.0042 0.0138 0.0105 166 PHE H CE2 1366 C CZ . PHE A 185 ? 0.2845 0.2315 0.1963 0.0065 0.0126 0.0127 166 PHE H CZ 1367 N N . PRO A 186 ? 0.3951 0.3166 0.3204 -0.0063 0.0181 -0.0047 167 PRO H N 1368 C CA . PRO A 186 ? 0.3077 0.2285 0.2308 -0.0058 0.0170 -0.0106 167 PRO H CA 1369 C C . PRO A 186 ? 0.3603 0.2867 0.2771 -0.0071 0.0166 -0.0094 167 PRO H C 1370 O O . PRO A 186 ? 0.3296 0.2566 0.2455 -0.0097 0.0155 -0.0063 167 PRO H O 1371 C CB . PRO A 186 ? 0.3229 0.2384 0.2504 -0.0080 0.0159 -0.0116 167 PRO H CB 1372 C CG . PRO A 186 ? 0.3381 0.2521 0.2742 -0.0080 0.0172 -0.0057 167 PRO H CG 1373 C CD . PRO A 186 ? 0.3423 0.2614 0.2729 -0.0071 0.0187 -0.0011 167 PRO H CD 1374 N N . ALA A 187 ? 0.3602 0.2918 0.2743 -0.0041 0.0170 -0.0117 168 ALA H N 1375 C CA . ALA A 187 ? 0.2817 0.2213 0.1944 -0.0048 0.0172 -0.0072 168 ALA H CA 1376 C C . ALA A 187 ? 0.2789 0.2160 0.1905 -0.0086 0.0154 -0.0082 168 ALA H C 1377 O O . ALA A 187 ? 0.3234 0.2549 0.2333 -0.0093 0.0146 -0.0132 168 ALA H O 1378 C CB . ALA A 187 ? 0.3321 0.2825 0.2421 0.0017 0.0192 -0.0072 168 ALA H CB 1379 N N . VAL A 188 ? 0.2977 0.2390 0.2130 -0.0112 0.0139 -0.0028 169 VAL H N 1380 C CA . VAL A 188 ? 0.2439 0.1840 0.1595 -0.0141 0.0120 -0.0033 169 VAL H CA 1381 C C . VAL A 188 ? 0.3625 0.3129 0.2784 -0.0116 0.0137 0.0000 169 VAL H C 1382 O O . VAL A 188 ? 0.3524 0.3135 0.2724 -0.0086 0.0156 0.0068 169 VAL H O 1383 C CB . VAL A 188 ? 0.3330 0.2715 0.2559 -0.0175 0.0075 -0.0001 169 VAL H CB 1384 C CG1 . VAL A 188 ? 0.3309 0.2779 0.2651 -0.0174 0.0064 0.0082 169 VAL H CG1 1385 C CG2 . VAL A 188 ? 0.3301 0.2665 0.2539 -0.0199 0.0050 -0.0017 169 VAL H CG2 1386 N N . LEU A 189 ? 0.3914 0.3407 0.3032 -0.0119 0.0133 -0.0038 170 LEU H N 1387 C CA . LEU A 189 ? 0.3774 0.3387 0.2892 -0.0089 0.0147 0.0004 170 LEU H CA 1388 C C . LEU A 189 ? 0.3534 0.3167 0.2758 -0.0136 0.0125 0.0080 170 LEU H C 1389 O O . LEU A 189 ? 0.4421 0.3964 0.3650 -0.0179 0.0096 0.0043 170 LEU H O 1390 C CB . LEU A 189 ? 0.3026 0.2624 0.2061 -0.0064 0.0142 -0.0079 170 LEU H CB 1391 C CG . LEU A 189 ? 0.3820 0.3559 0.2842 -0.0024 0.0155 -0.0034 170 LEU H CG 1392 C CD1 . LEU A 189 ? 0.2955 0.2874 0.1969 0.0059 0.0192 0.0036 170 LEU H CD1 1393 C CD2 . LEU A 189 ? 0.3796 0.3511 0.2739 0.0003 0.0133 -0.0133 170 LEU H CD2 1394 N N . GLN A 190 ? 0.2945 0.2702 0.2277 -0.0124 0.0135 0.0194 171 GLN H N 1395 C CA . GLN A 190 ? 0.3603 0.3376 0.3103 -0.0171 0.0096 0.0279 171 GLN H CA 1396 C C . GLN A 190 ? 0.3289 0.3165 0.2820 -0.0159 0.0111 0.0340 171 GLN H C 1397 O O . GLN A 190 ? 0.2596 0.2572 0.2013 -0.0099 0.0155 0.0332 171 GLN H O 1398 C CB . GLN A 190 ? 0.4631 0.4486 0.4304 -0.0172 0.0086 0.0397 171 GLN H CB 1399 C CG . GLN A 190 ? 0.6252 0.5995 0.5930 -0.0194 0.0051 0.0340 171 GLN H CG 1400 C CD . GLN A 190 ? 0.7209 0.7053 0.6940 -0.0160 0.0082 0.0421 171 GLN H CD 1401 O OE1 . GLN A 190 ? 0.7997 0.7789 0.7807 -0.0181 0.0042 0.0422 171 GLN H OE1 1402 N NE2 . GLN A 190 ? 0.6484 0.6484 0.6163 -0.0095 0.0151 0.0485 171 GLN H NE2 1403 N N . SER A 191 ? 0.2096 0.1952 0.1788 -0.0209 0.0064 0.0393 172 SER H N 1404 C CA . SER A 191 ? 0.2757 0.2711 0.2509 -0.0204 0.0074 0.0468 172 SER H CA 1405 C C . SER A 191 ? 0.3729 0.3924 0.3539 -0.0139 0.0134 0.0623 172 SER H C 1406 O O . SER A 191 ? 0.4243 0.4571 0.4032 -0.0099 0.0167 0.0681 172 SER H O 1407 C CB . SER A 191 ? 0.3646 0.3534 0.3615 -0.0267 0.0000 0.0508 172 SER H CB 1408 O OG . SER A 191 ? 0.5406 0.5316 0.5604 -0.0288 -0.0045 0.0600 172 SER H OG 1409 N N . SER A 192 ? 0.2113 0.2383 0.1996 -0.0116 0.0152 0.0698 173 SER H N 1410 C CA . SER A 192 ? 0.2141 0.2672 0.2077 -0.0033 0.0219 0.0862 173 SER H CA 1411 C C . SER A 192 ? 0.3159 0.3781 0.2821 0.0073 0.0279 0.0772 173 SER H C 1412 O O . SER A 192 ? 0.3619 0.4493 0.3261 0.0177 0.0340 0.0883 173 SER H O 1413 C CB . SER A 192 ? 0.2502 0.3081 0.2604 -0.0038 0.0217 0.0966 173 SER H CB 1414 O OG . SER A 192 ? 0.3674 0.4107 0.3613 -0.0039 0.0210 0.0819 173 SER H OG 1415 N N . GLY A 193 ? 0.2669 0.3101 0.2138 0.0058 0.0255 0.0575 174 GLY H N 1416 C CA . GLY A 193 ? 0.2881 0.3359 0.2129 0.0155 0.0281 0.0457 174 GLY H CA 1417 C C . GLY A 193 ? 0.3783 0.4273 0.2980 0.0205 0.0301 0.0429 174 GLY H C 1418 O O . GLY A 193 ? 0.3356 0.3855 0.2392 0.0287 0.0305 0.0310 174 GLY H O 1419 N N . LEU A 194 ? 0.3775 0.4262 0.3130 0.0158 0.0303 0.0536 175 LEU H N 1420 C CA . LEU A 194 ? 0.3648 0.4136 0.2978 0.0192 0.0321 0.0522 175 LEU H CA 1421 C C . LEU A 194 ? 0.4233 0.4465 0.3529 0.0110 0.0273 0.0387 175 LEU H C 1422 O O . LEU A 194 ? 0.4004 0.4086 0.3344 0.0022 0.0228 0.0348 175 LEU H O 1423 C CB . LEU A 194 ? 0.3559 0.4197 0.3102 0.0189 0.0344 0.0721 175 LEU H CB 1424 C CG . LEU A 194 ? 0.3629 0.4570 0.3263 0.0275 0.0403 0.0917 175 LEU H CG 1425 C CD1 . LEU A 194 ? 0.2818 0.3879 0.2740 0.0245 0.0410 0.1135 175 LEU H CD1 1426 C CD2 . LEU A 194 ? 0.3636 0.4773 0.3059 0.0437 0.0464 0.0878 175 LEU H CD2 1427 N N . TYR A 195 ? 0.4794 0.4996 0.4017 0.0150 0.0285 0.0324 176 TYR H N 1428 C CA . TYR A 195 ? 0.4397 0.4391 0.3595 0.0088 0.0250 0.0220 176 TYR H CA 1429 C C . TYR A 195 ? 0.3582 0.3560 0.2899 0.0049 0.0243 0.0295 176 TYR H C 1430 O O . TYR A 195 ? 0.2965 0.3094 0.2373 0.0086 0.0271 0.0416 176 TYR H O 1431 C CB . TYR A 195 ? 0.3722 0.3668 0.2788 0.0152 0.0253 0.0087 176 TYR H CB 1432 C CG . TYR A 195 ? 0.3019 0.2928 0.1992 0.0176 0.0231 -0.0021 176 TYR H CG 1433 C CD1 . TYR A 195 ? 0.3399 0.3472 0.2303 0.0268 0.0246 -0.0018 176 TYR H CD1 1434 C CD2 . TYR A 195 ? 0.3688 0.3418 0.2653 0.0116 0.0192 -0.0117 176 TYR H CD2 1435 C CE1 . TYR A 195 ? 0.4985 0.5025 0.3813 0.0294 0.0212 -0.0127 176 TYR H CE1 1436 C CE2 . TYR A 195 ? 0.3657 0.3351 0.2572 0.0133 0.0162 -0.0209 176 TYR H CE2 1437 C CZ . TYR A 195 ? 0.5503 0.5343 0.4347 0.0220 0.0166 -0.0224 176 TYR H CZ 1438 O OH . TYR A 195 ? 0.6490 0.6296 0.5291 0.0241 0.0123 -0.0327 176 TYR H OH 1439 N N . SER A 196 ? 0.3264 0.3077 0.2587 -0.0016 0.0203 0.0231 177 SER H N 1440 C CA . SER A 196 ? 0.3203 0.2985 0.2617 -0.0044 0.0182 0.0272 177 SER H CA 1441 C C . SER A 196 ? 0.3182 0.2818 0.2517 -0.0063 0.0165 0.0172 177 SER H C 1442 O O . SER A 196 ? 0.3275 0.2816 0.2551 -0.0089 0.0147 0.0100 177 SER H O 1443 C CB . SER A 196 ? 0.3534 0.3311 0.3118 -0.0104 0.0124 0.0343 177 SER H CB 1444 O OG . SER A 196 ? 0.3604 0.3538 0.3325 -0.0088 0.0141 0.0480 177 SER H OG 1445 N N . LEU A 197 ? 0.3560 0.3197 0.2908 -0.0046 0.0175 0.0184 178 LEU H N 1446 C CA . LEU A 197 ? 0.3436 0.2965 0.2737 -0.0058 0.0163 0.0120 178 LEU H CA 1447 C C . LEU A 197 ? 0.3183 0.2723 0.2558 -0.0066 0.0142 0.0168 178 LEU H C 1448 O O . LEU A 197 ? 0.2696 0.2326 0.2165 -0.0058 0.0144 0.0248 178 LEU H O 1449 C CB . LEU A 197 ? 0.3711 0.3213 0.2939 -0.0015 0.0197 0.0057 178 LEU H CB 1450 C CG . LEU A 197 ? 0.3598 0.3176 0.2828 0.0048 0.0230 0.0074 178 LEU H CG 1451 C CD1 . LEU A 197 ? 0.2306 0.1877 0.1592 0.0038 0.0228 0.0121 178 LEU H CD1 1452 C CD2 . LEU A 197 ? 0.3869 0.3404 0.3047 0.0099 0.0236 -0.0020 178 LEU H CD2 1453 N N . SER A 198 ? 0.3958 0.3425 0.3302 -0.0074 0.0123 0.0129 179 SER H N 1454 C CA . SER A 198 ? 0.3591 0.3071 0.2991 -0.0073 0.0095 0.0161 179 SER H CA 1455 C C . SER A 198 ? 0.3286 0.2740 0.2639 -0.0046 0.0131 0.0148 179 SER H C 1456 O O . SER A 198 ? 0.3483 0.2886 0.2780 -0.0040 0.0150 0.0110 179 SER H O 1457 C CB . SER A 198 ? 0.3195 0.2642 0.2617 -0.0091 0.0019 0.0133 179 SER H CB 1458 O OG . SER A 198 ? 0.3754 0.3214 0.3266 -0.0118 -0.0028 0.0148 179 SER H OG 1459 N N . SER A 199 ? 0.3747 0.3243 0.3152 -0.0029 0.0138 0.0193 180 SER H N 1460 C CA . SER A 199 ? 0.3354 0.2833 0.2744 -0.0004 0.0165 0.0194 180 SER H CA 1461 C C . SER A 199 ? 0.3886 0.3385 0.3311 -0.0004 0.0122 0.0223 180 SER H C 1462 O O . SER A 199 ? 0.4528 0.4075 0.4033 -0.0008 0.0097 0.0267 180 SER H O 1463 C CB . SER A 199 ? 0.3612 0.3130 0.3024 0.0033 0.0211 0.0212 180 SER H CB 1464 O OG . SER A 199 ? 0.3655 0.3146 0.3080 0.0056 0.0230 0.0213 180 SER H OG 1465 N N . VAL A 200 ? 0.3452 0.2932 0.2828 0.0009 0.0110 0.0205 181 VAL H N 1466 C CA . VAL A 200 ? 0.3615 0.3133 0.2998 0.0031 0.0061 0.0217 181 VAL H CA 1467 C C . VAL A 200 ? 0.3607 0.3147 0.2983 0.0064 0.0103 0.0258 181 VAL H C 1468 O O . VAL A 200 ? 0.4908 0.4429 0.4268 0.0073 0.0152 0.0270 181 VAL H O 1469 C CB . VAL A 200 ? 0.4335 0.3858 0.3659 0.0048 -0.0002 0.0164 181 VAL H CB 1470 C CG1 . VAL A 200 ? 0.5809 0.5317 0.5055 0.0060 0.0045 0.0154 181 VAL H CG1 1471 C CG2 . VAL A 200 ? 0.4998 0.4579 0.4308 0.0099 -0.0062 0.0157 181 VAL H CG2 1472 N N . VAL A 201 ? 0.2814 0.2398 0.2231 0.0081 0.0079 0.0290 182 VAL H N 1473 C CA . VAL A 201 ? 0.3322 0.2943 0.2746 0.0116 0.0114 0.0342 182 VAL H CA 1474 C C . VAL A 201 ? 0.3240 0.2938 0.2619 0.0165 0.0054 0.0341 182 VAL H C 1475 O O . VAL A 201 ? 0.3485 0.3201 0.2888 0.0167 -0.0025 0.0309 182 VAL H O 1476 C CB . VAL A 201 ? 0.2791 0.2416 0.2298 0.0111 0.0143 0.0385 182 VAL H CB 1477 C CG1 . VAL A 201 ? 0.3220 0.2871 0.2785 0.0092 0.0089 0.0388 182 VAL H CG1 1478 C CG2 . VAL A 201 ? 0.2667 0.2337 0.2199 0.0148 0.0166 0.0445 182 VAL H CG2 1479 N N . THR A 202 ? 0.3433 0.3191 0.2762 0.0215 0.0086 0.0379 183 THR H N 1480 C CA . THR A 202 ? 0.3742 0.3613 0.3000 0.0293 0.0035 0.0379 183 THR H CA 1481 C C . THR A 202 ? 0.3343 0.3275 0.2652 0.0319 0.0043 0.0445 183 THR H C 1482 O O . THR A 202 ? 0.3949 0.3881 0.3327 0.0311 0.0120 0.0530 183 THR H O 1483 C CB . THR A 202 ? 0.4526 0.4486 0.3708 0.0357 0.0077 0.0420 183 THR H CB 1484 O OG1 . THR A 202 ? 0.4298 0.4198 0.3442 0.0329 0.0076 0.0366 183 THR H OG1 1485 C CG2 . THR A 202 ? 0.4760 0.4872 0.3835 0.0469 0.0016 0.0403 183 THR H CG2 1486 N N . VAL A 203 ? 0.3537 0.3517 0.2834 0.0352 -0.0047 0.0401 184 VAL H N 1487 C CA . VAL A 203 ? 0.3378 0.3420 0.2725 0.0377 -0.0051 0.0459 184 VAL H CA 1488 C C . VAL A 203 ? 0.3915 0.4084 0.3178 0.0477 -0.0145 0.0417 184 VAL H C 1489 O O . VAL A 203 ? 0.4938 0.5124 0.4125 0.0519 -0.0233 0.0316 184 VAL H O 1490 C CB . VAL A 203 ? 0.3802 0.3768 0.3272 0.0308 -0.0077 0.0454 184 VAL H CB 1491 C CG1 . VAL A 203 ? 0.3244 0.3112 0.2771 0.0238 0.0007 0.0477 184 VAL H CG1 1492 C CG2 . VAL A 203 ? 0.4039 0.3986 0.3543 0.0299 -0.0204 0.0363 184 VAL H CG2 1493 N N . PRO A 204 ? 0.3008 0.3275 0.2287 0.0525 -0.0134 0.0488 185 PRO H N 1494 C CA . PRO A 204 ? 0.2905 0.3310 0.2105 0.0634 -0.0235 0.0441 185 PRO H CA 1495 C C . PRO A 204 ? 0.5227 0.5563 0.4506 0.0605 -0.0380 0.0327 185 PRO H C 1496 O O . PRO A 204 ? 0.4792 0.5031 0.4218 0.0512 -0.0372 0.0359 185 PRO H O 1497 C CB . PRO A 204 ? 0.2910 0.3410 0.2152 0.0664 -0.0172 0.0567 185 PRO H CB 1498 C CG . PRO A 204 ? 0.3075 0.3511 0.2398 0.0597 -0.0031 0.0682 185 PRO H CG 1499 C CD . PRO A 204 ? 0.3367 0.3629 0.2739 0.0493 -0.0028 0.0612 185 PRO H CD 1500 N N . SER A 205 ? 0.5444 0.5838 0.4646 0.0693 -0.0517 0.0201 186 SER H N 1501 C CA . SER A 205 ? 0.4430 0.4757 0.3760 0.0671 -0.0685 0.0088 186 SER H CA 1502 C C . SER A 205 ? 0.4661 0.5008 0.4123 0.0649 -0.0717 0.0144 186 SER H C 1503 O O . SER A 205 ? 0.5670 0.5924 0.5329 0.0562 -0.0777 0.0145 186 SER H O 1504 C CB . SER A 205 ? 0.3951 0.4359 0.3175 0.0804 -0.0848 -0.0076 186 SER H CB 1505 O OG . SER A 205 ? 0.6061 0.6440 0.5185 0.0820 -0.0831 -0.0137 186 SER H OG 1506 N N . SER A 206 ? 0.4328 0.4814 0.3695 0.0733 -0.0672 0.0209 187 SER H N 1507 C CA . SER A 206 ? 0.4843 0.5367 0.4320 0.0726 -0.0701 0.0266 187 SER H CA 1508 C C . SER A 206 ? 0.5070 0.5481 0.4718 0.0591 -0.0597 0.0382 187 SER H C 1509 O O . SER A 206 ? 0.5346 0.5752 0.5141 0.0559 -0.0641 0.0418 187 SER H O 1510 C CB . SER A 206 ? 0.4607 0.5315 0.3948 0.0841 -0.0641 0.0344 187 SER H CB 1511 O OG . SER A 206 ? 0.4950 0.5674 0.4233 0.0821 -0.0461 0.0475 187 SER H OG 1512 N N . SER A 207 ? 0.4945 0.5275 0.4572 0.0525 -0.0465 0.0437 188 SER H N 1513 C CA . SER A 207 ? 0.5415 0.5660 0.5168 0.0427 -0.0359 0.0534 188 SER H CA 1514 C C . SER A 207 ? 0.5230 0.5380 0.5141 0.0344 -0.0417 0.0507 188 SER H C 1515 O O . SER A 207 ? 0.5632 0.5747 0.5660 0.0283 -0.0349 0.0588 188 SER H O 1516 C CB . SER A 207 ? 0.5705 0.5910 0.5385 0.0405 -0.0212 0.0590 188 SER H CB 1517 O OG . SER A 207 ? 0.5386 0.5515 0.5022 0.0373 -0.0219 0.0520 188 SER H OG 1518 N N . LEU A 208 ? 0.5116 0.5241 0.5042 0.0351 -0.0542 0.0401 189 LEU H N 1519 C CA . LEU A 208 ? 0.4871 0.4918 0.4981 0.0273 -0.0600 0.0394 189 LEU H CA 1520 C C . LEU A 208 ? 0.5874 0.5939 0.6217 0.0228 -0.0636 0.0480 189 LEU H C 1521 O O . LEU A 208 ? 0.6076 0.6112 0.6586 0.0159 -0.0613 0.0550 189 LEU H O 1522 C CB . LEU A 208 ? 0.4706 0.4726 0.4834 0.0301 -0.0761 0.0256 189 LEU H CB 1523 C CG . LEU A 208 ? 0.4786 0.4780 0.4720 0.0330 -0.0717 0.0185 189 LEU H CG 1524 C CD1 . LEU A 208 ? 0.4750 0.4725 0.4704 0.0378 -0.0892 0.0033 189 LEU H CD1 1525 C CD2 . LEU A 208 ? 0.2872 0.2792 0.2824 0.0245 -0.0588 0.0255 189 LEU H CD2 1526 N N . GLY A 209 ? 0.6508 0.6642 0.6870 0.0274 -0.0688 0.0490 190 GLY H N 1527 C CA . GLY A 209 ? 0.6847 0.7011 0.7440 0.0236 -0.0723 0.0581 190 GLY H CA 1528 C C . GLY A 209 ? 0.7711 0.7905 0.8291 0.0218 -0.0558 0.0714 190 GLY H C 1529 O O . GLY A 209 ? 0.7917 0.8124 0.8674 0.0169 -0.0517 0.0819 190 GLY H O 1530 N N . THR A 210 ? 0.7832 0.8052 0.8218 0.0267 -0.0464 0.0717 191 THR H N 1531 C CA . THR A 210 ? 0.7745 0.7988 0.8126 0.0265 -0.0323 0.0824 191 THR H CA 1532 C C . THR A 210 ? 0.7118 0.7305 0.7502 0.0222 -0.0201 0.0866 191 THR H C 1533 O O . THR A 210 ? 0.5652 0.5863 0.6161 0.0200 -0.0152 0.0950 191 THR H O 1534 C CB . THR A 210 ? 0.8368 0.8651 0.8578 0.0328 -0.0259 0.0827 191 THR H CB 1535 O OG1 . THR A 210 ? 0.8767 0.9138 0.8955 0.0391 -0.0368 0.0795 191 THR H OG1 1536 C CG2 . THR A 210 ? 0.8934 0.9223 0.9178 0.0325 -0.0130 0.0929 191 THR H CG2 1537 N N . GLN A 211 ? 0.7676 0.7805 0.7918 0.0222 -0.0153 0.0807 192 GLN H N 1538 C CA . GLN A 211 ? 0.6054 0.6134 0.6271 0.0200 -0.0044 0.0825 192 GLN H CA 1539 C C . GLN A 211 ? 0.6308 0.6377 0.6620 0.0156 -0.0072 0.0828 192 GLN H C 1540 O O . GLN A 211 ? 0.7110 0.7172 0.7485 0.0134 -0.0182 0.0788 192 GLN H O 1541 C CB . GLN A 211 ? 0.4423 0.4449 0.4480 0.0216 0.0011 0.0769 192 GLN H CB 1542 C CG . GLN A 211 ? 0.5382 0.5350 0.5411 0.0201 0.0101 0.0760 192 GLN H CG 1543 C CD . GLN A 211 ? 0.5806 0.5777 0.5871 0.0228 0.0189 0.0808 192 GLN H CD 1544 O OE1 . GLN A 211 ? 0.6396 0.6364 0.6487 0.0235 0.0240 0.0813 192 GLN H OE1 1545 N NE2 . GLN A 211 ? 0.4477 0.4465 0.4546 0.0257 0.0205 0.0843 192 GLN H NE2 1546 N N . THR A 212 ? 0.4790 0.4869 0.5122 0.0155 0.0022 0.0876 193 THR H N 1547 C CA . THR A 212 ? 0.4049 0.4150 0.4464 0.0127 0.0021 0.0905 193 THR H CA 1548 C C . THR A 212 ? 0.3737 0.3778 0.4004 0.0132 0.0086 0.0838 193 THR H C 1549 O O . THR A 212 ? 0.5233 0.5244 0.5394 0.0166 0.0165 0.0809 193 THR H O 1550 C CB . THR A 212 ? 0.4279 0.4490 0.4835 0.0146 0.0080 0.1028 193 THR H CB 1551 O OG1 . THR A 212 ? 0.4837 0.5108 0.5586 0.0127 0.0000 0.1105 193 THR H OG1 1552 C CG2 . THR A 212 ? 0.5033 0.5300 0.5647 0.0140 0.0112 0.1077 193 THR H CG2 1553 N N . TYR A 213 ? 0.2768 0.2789 0.3053 0.0098 0.0042 0.0811 194 TYR H N 1554 C CA . TYR A 213 ? 0.3570 0.3531 0.3716 0.0099 0.0089 0.0741 194 TYR H CA 1555 C C . TYR A 213 ? 0.4077 0.4102 0.4274 0.0101 0.0133 0.0791 194 TYR H C 1556 O O . TYR A 213 ? 0.2889 0.2966 0.3237 0.0070 0.0081 0.0856 194 TYR H O 1557 C CB . TYR A 213 ? 0.3366 0.3251 0.3441 0.0073 0.0012 0.0651 194 TYR H CB 1558 C CG . TYR A 213 ? 0.3227 0.3088 0.3217 0.0098 -0.0015 0.0607 194 TYR H CG 1559 C CD1 . TYR A 213 ? 0.3694 0.3521 0.3564 0.0124 0.0058 0.0585 194 TYR H CD1 1560 C CD2 . TYR A 213 ? 0.3594 0.3480 0.3644 0.0103 -0.0121 0.0594 194 TYR H CD2 1561 C CE1 . TYR A 213 ? 0.3870 0.3712 0.3682 0.0157 0.0043 0.0579 194 TYR H CE1 1562 C CE2 . TYR A 213 ? 0.3894 0.3796 0.3850 0.0147 -0.0142 0.0563 194 TYR H CE2 1563 C CZ . TYR A 213 ? 0.4236 0.4127 0.4074 0.0174 -0.0050 0.0569 194 TYR H CZ 1564 O OH . TYR A 213 ? 0.4611 0.4553 0.4375 0.0226 -0.0060 0.0572 194 TYR H OH 1565 N N . ILE A 214 ? 0.3968 0.3995 0.4052 0.0147 0.0221 0.0763 195 ILE H N 1566 C CA . ILE A 214 ? 0.3464 0.3579 0.3554 0.0177 0.0273 0.0803 195 ILE H CA 1567 C C . ILE A 214 ? 0.2976 0.3020 0.2900 0.0202 0.0310 0.0693 195 ILE H C 1568 O O . ILE A 214 ? 0.2982 0.2965 0.2818 0.0238 0.0341 0.0622 195 ILE H O 1569 C CB . ILE A 214 ? 0.3530 0.3790 0.3676 0.0252 0.0344 0.0896 195 ILE H CB 1570 C CG1 . ILE A 214 ? 0.2922 0.3255 0.3258 0.0227 0.0306 0.1016 195 ILE H CG1 1571 C CG2 . ILE A 214 ? 0.3148 0.3548 0.3295 0.0307 0.0400 0.0955 195 ILE H CG2 1572 C CD1 . ILE A 214 ? 0.2499 0.2991 0.2900 0.0307 0.0382 0.1123 195 ILE H CD1 1573 N N . CYS A 215 ? 0.2335 0.2384 0.2243 0.0181 0.0299 0.0683 196 CYS H N 1574 C CA . CYS A 215 ? 0.4355 0.4346 0.4121 0.0205 0.0327 0.0582 196 CYS H CA 1575 C C . CYS A 215 ? 0.3304 0.3431 0.3037 0.0295 0.0391 0.0607 196 CYS H C 1576 O O . CYS A 215 ? 0.3709 0.3985 0.3532 0.0312 0.0410 0.0723 196 CYS H O 1577 C CB . CYS A 215 ? 0.6388 0.6309 0.6136 0.0141 0.0278 0.0543 196 CYS H CB 1578 S SG . CYS A 215 ? 0.6183 0.6229 0.6046 0.0127 0.0270 0.0647 196 CYS H SG 1579 N N . ASN A 216 ? 0.3465 0.3554 0.3085 0.0362 0.0419 0.0502 197 ASN H N 1580 C CA . ASN A 216 ? 0.3233 0.3460 0.2786 0.0480 0.0468 0.0489 197 ASN H CA 1581 C C . ASN A 216 ? 0.3955 0.4151 0.3405 0.0494 0.0457 0.0396 197 ASN H C 1582 O O . ASN A 216 ? 0.4238 0.4288 0.3628 0.0483 0.0425 0.0266 197 ASN H O 1583 C CB . ASN A 216 ? 0.3143 0.3360 0.2659 0.0572 0.0487 0.0415 197 ASN H CB 1584 C CG . ASN A 216 ? 0.4401 0.4582 0.4014 0.0532 0.0484 0.0478 197 ASN H CG 1585 O OD1 . ASN A 216 ? 0.4098 0.4128 0.3727 0.0476 0.0451 0.0424 197 ASN H OD1 1586 N ND2 . ASN A 216 ? 0.2576 0.2915 0.2271 0.0564 0.0520 0.0610 197 ASN H ND2 1587 N N . VAL A 217 ? 0.4095 0.4438 0.3550 0.0516 0.0480 0.0477 198 VAL H N 1588 C CA . VAL A 217 ? 0.3539 0.3869 0.2904 0.0525 0.0468 0.0404 198 VAL H CA 1589 C C . VAL A 217 ? 0.3623 0.4130 0.2879 0.0682 0.0508 0.0369 198 VAL H C 1590 O O . VAL A 217 ? 0.2706 0.3439 0.1990 0.0771 0.0565 0.0493 198 VAL H O 1591 C CB . VAL A 217 ? 0.2485 0.2850 0.1938 0.0438 0.0455 0.0513 198 VAL H CB 1592 C CG1 . VAL A 217 ? 0.2717 0.3052 0.2073 0.0441 0.0441 0.0432 198 VAL H CG1 1593 C CG2 . VAL A 217 ? 0.2403 0.2615 0.1958 0.0310 0.0400 0.0532 198 VAL H CG2 1594 N N . ASN A 218 ? 0.4194 0.4614 0.3334 0.0728 0.0474 0.0202 199 ASN H N 1595 C CA . ASN A 218 ? 0.4186 0.4769 0.3201 0.0899 0.0490 0.0126 199 ASN H CA 1596 C C . ASN A 218 ? 0.4297 0.4868 0.3227 0.0904 0.0459 0.0047 199 ASN H C 1597 O O . ASN A 218 ? 0.4651 0.5012 0.3588 0.0813 0.0401 -0.0059 199 ASN H O 1598 C CB . ASN A 218 ? 0.5148 0.5654 0.4118 0.0996 0.0455 -0.0039 199 ASN H CB 1599 C CG . ASN A 218 ? 0.6686 0.7430 0.5541 0.1213 0.0483 -0.0082 199 ASN H CG 1600 O OD1 . ASN A 218 ? 0.7356 0.8270 0.6228 0.1291 0.0543 0.0023 199 ASN H OD1 1601 N ND2 . ASN A 218 ? 0.6704 0.7476 0.5438 0.1322 0.0436 -0.0239 199 ASN H ND2 1602 N N . HIS A 219 ? 0.4338 0.5155 0.3199 0.1015 0.0503 0.0115 200 HIS H N 1603 C CA . HIS A 219 ? 0.4100 0.4946 0.2873 0.1040 0.0479 0.0051 200 HIS H CA 1604 C C . HIS A 219 ? 0.4904 0.5990 0.3518 0.1266 0.0492 -0.0025 200 HIS H C 1605 O O . HIS A 219 ? 0.4921 0.6305 0.3514 0.1376 0.0567 0.0129 200 HIS H O 1606 C CB . HIS A 219 ? 0.3860 0.4786 0.2727 0.0940 0.0516 0.0239 200 HIS H CB 1607 C CG . HIS A 219 ? 0.4498 0.5443 0.3288 0.0948 0.0493 0.0188 200 HIS H CG 1608 N ND1 . HIS A 219 ? 0.4941 0.6163 0.3699 0.1048 0.0544 0.0307 200 HIS H ND1 1609 C CD2 . HIS A 219 ? 0.4371 0.5108 0.3124 0.0873 0.0426 0.0044 200 HIS H CD2 1610 C CE1 . HIS A 219 ? 0.4937 0.6110 0.3628 0.1032 0.0507 0.0227 200 HIS H CE1 1611 N NE2 . HIS A 219 ? 0.5164 0.6040 0.3853 0.0924 0.0434 0.0065 200 HIS H NE2 1612 N N . LYS A 220 ? 0.5071 0.6042 0.3591 0.1347 0.0411 -0.0260 201 LYS H N 1613 C CA . LYS A 220 ? 0.4708 0.5887 0.3067 0.1590 0.0394 -0.0389 201 LYS H CA 1614 C C . LYS A 220 ? 0.4966 0.6406 0.3244 0.1683 0.0418 -0.0311 201 LYS H C 1615 O O . LYS A 220 ? 0.5453 0.7166 0.3721 0.1819 0.0448 -0.0208 201 LYS H O 1616 C CB . LYS A 220 ? 0.4168 0.5127 0.2502 0.1635 0.0266 -0.0674 201 LYS H CB 1617 C CG . LYS A 220 ? 0.4177 0.5016 0.2582 0.1663 0.0235 -0.0761 201 LYS H CG 1618 C CD . LYS A 220 ? 0.4121 0.4618 0.2662 0.1544 0.0123 -0.0923 201 LYS H CD 1619 C CE . LYS A 220 ? 0.4132 0.4521 0.2772 0.1570 0.0095 -0.0987 201 LYS H CE 1620 N NZ . LYS A 220 ? 0.4042 0.4116 0.2880 0.1408 0.0019 -0.1045 201 LYS H NZ 1621 N N . PRO A 221 ? 0.4808 0.6154 0.3072 0.1594 0.0390 -0.0338 202 PRO H N 1622 C CA . PRO A 221 ? 0.5184 0.6740 0.3421 0.1657 0.0388 -0.0269 202 PRO H CA 1623 C C . PRO A 221 ? 0.5724 0.7605 0.4028 0.1719 0.0488 0.0002 202 PRO H C 1624 O O . PRO A 221 ? 0.6140 0.8266 0.4419 0.1856 0.0478 0.0046 202 PRO H O 1625 C CB . PRO A 221 ? 0.4761 0.6148 0.3013 0.1496 0.0385 -0.0261 202 PRO H CB 1626 C CG . PRO A 221 ? 0.3356 0.4394 0.1661 0.1374 0.0308 -0.0428 202 PRO H CG 1627 C CD . PRO A 221 ? 0.4695 0.5707 0.3058 0.1384 0.0336 -0.0399 202 PRO H CD 1628 N N . SER A 222 ? 0.5149 0.7040 0.3563 0.1624 0.0575 0.0189 203 SER H N 1629 C CA . SER A 222 ? 0.4655 0.6840 0.3209 0.1664 0.0657 0.0467 203 SER H CA 1630 C C . SER A 222 ? 0.5386 0.7663 0.3981 0.1737 0.0696 0.0530 203 SER H C 1631 O O . SER A 222 ? 0.5537 0.8024 0.4294 0.1747 0.0763 0.0775 203 SER H O 1632 C CB . SER A 222 ? 0.3555 0.5703 0.2282 0.1481 0.0711 0.0679 203 SER H CB 1633 O OG . SER A 222 ? 0.3847 0.5752 0.2641 0.1327 0.0713 0.0672 203 SER H OG 1634 N N . ASN A 223 ? 0.5954 0.8069 0.4432 0.1786 0.0645 0.0312 204 ASN H N 1635 C CA . ASN A 223 ? 0.5755 0.7931 0.4259 0.1857 0.0676 0.0345 204 ASN H CA 1636 C C . ASN A 223 ? 0.4774 0.6977 0.3463 0.1728 0.0767 0.0591 204 ASN H C 1637 O O . ASN A 223 ? 0.4657 0.7089 0.3458 0.1796 0.0818 0.0783 204 ASN H O 1638 C CB . ASN A 223 ? 0.7009 0.9491 0.5464 0.2078 0.0666 0.0385 204 ASN H CB 1639 C CG . ASN A 223 ? 0.8383 1.0831 0.6666 0.2219 0.0553 0.0119 204 ASN H CG 1640 O OD1 . ASN A 223 ? 0.8991 1.1164 0.7216 0.2172 0.0474 -0.0119 204 ASN H OD1 1641 N ND2 . ASN A 223 ? 0.7854 1.0589 0.6081 0.2398 0.0534 0.0166 204 ASN H ND2 1642 N N . THR A 224 ? 0.4297 0.6244 0.3054 0.1531 0.0759 0.0587 205 THR H N 1643 C CA . THR A 224 ? 0.5092 0.6987 0.4087 0.1366 0.0786 0.0791 205 THR H CA 1644 C C . THR A 224 ? 0.6251 0.7869 0.5285 0.1267 0.0738 0.0678 205 THR H C 1645 O O . THR A 224 ? 0.7041 0.8385 0.6003 0.1201 0.0663 0.0473 205 THR H O 1646 C CB . THR A 224 ? 0.5256 0.7031 0.4394 0.1181 0.0757 0.0883 205 THR H CB 1647 O OG1 . THR A 224 ? 0.6165 0.8208 0.5293 0.1269 0.0804 0.1011 205 THR H OG1 1648 C CG2 . THR A 224 ? 0.3969 0.5690 0.3370 0.1029 0.0758 0.1071 205 THR H CG2 1649 N N . LYS A 225 ? 0.5359 0.7067 0.4528 0.1261 0.0782 0.0830 206 LYS H N 1650 C CA . LYS A 225 ? 0.4627 0.6101 0.3860 0.1162 0.0743 0.0763 206 LYS H CA 1651 C C . LYS A 225 ? 0.5183 0.6666 0.4661 0.1026 0.0753 0.0978 206 LYS H C 1652 O O . LYS A 225 ? 0.4981 0.6720 0.4584 0.1091 0.0818 0.1184 206 LYS H O 1653 C CB . LYS A 225 ? 0.4198 0.5754 0.3331 0.1324 0.0766 0.0675 206 LYS H CB 1654 C CG . LYS A 225 ? 0.3982 0.5352 0.3212 0.1234 0.0742 0.0658 206 LYS H CG 1655 C CD . LYS A 225 ? 0.3979 0.5370 0.3101 0.1391 0.0743 0.0514 206 LYS H CD 1656 C CE . LYS A 225 ? 0.3956 0.5151 0.2942 0.1429 0.0661 0.0246 206 LYS H CE 1657 N NZ . LYS A 225 ? 0.4041 0.5233 0.2960 0.1584 0.0637 0.0086 206 LYS H NZ 1658 N N . VAL A 226 ? 0.5120 0.6336 0.4679 0.0847 0.0683 0.0930 207 VAL H N 1659 C CA . VAL A 226 ? 0.4784 0.5978 0.4582 0.0717 0.0660 0.1095 207 VAL H CA 1660 C C . VAL A 226 ? 0.5157 0.6118 0.4984 0.0619 0.0604 0.1008 207 VAL H C 1661 O O . VAL A 226 ? 0.5711 0.6450 0.5420 0.0569 0.0558 0.0835 207 VAL H O 1662 C CB . VAL A 226 ? 0.4614 0.5748 0.4518 0.0602 0.0613 0.1145 207 VAL H CB 1663 C CG1 . VAL A 226 ? 0.3652 0.4787 0.3844 0.0489 0.0568 0.1312 207 VAL H CG1 1664 C CG2 . VAL A 226 ? 0.4702 0.6065 0.4569 0.0698 0.0668 0.1228 207 VAL H CG2 1665 N N . ASP A 227 ? 0.4575 0.5604 0.4573 0.0596 0.0609 0.1144 208 ASP H N 1666 C CA . ASP A 227 ? 0.4031 0.4873 0.4075 0.0509 0.0555 0.1088 208 ASP H CA 1667 C C . ASP A 227 ? 0.3818 0.4620 0.4093 0.0384 0.0482 0.1198 208 ASP H C 1668 O O . ASP A 227 ? 0.5173 0.6135 0.5667 0.0386 0.0490 0.1380 208 ASP H O 1669 C CB . ASP A 227 ? 0.4174 0.5114 0.4229 0.0595 0.0604 0.1129 208 ASP H CB 1670 C CG . ASP A 227 ? 0.5534 0.6520 0.5382 0.0740 0.0658 0.1004 208 ASP H CG 1671 O OD1 . ASP A 227 ? 0.5327 0.6124 0.5064 0.0731 0.0626 0.0835 208 ASP H OD1 1672 O OD2 . ASP A 227 ? 0.6681 0.7906 0.6495 0.0874 0.0725 0.1078 208 ASP H OD2 1673 N N . LYS A 228 ? 0.3401 0.3999 0.3646 0.0284 0.0403 0.1086 209 LYS H N 1674 C CA . LYS A 228 ? 0.2629 0.3173 0.3084 0.0180 0.0308 0.1148 209 LYS H CA 1675 C C . LYS A 228 ? 0.3379 0.3779 0.3850 0.0127 0.0236 0.1078 209 LYS H C 1676 O O . LYS A 228 ? 0.3618 0.3863 0.3918 0.0111 0.0218 0.0931 209 LYS H O 1677 C CB . LYS A 228 ? 0.3243 0.3695 0.3671 0.0124 0.0259 0.1082 209 LYS H CB 1678 C CG . LYS A 228 ? 0.5765 0.6387 0.6333 0.0141 0.0286 0.1227 209 LYS H CG 1679 C CD . LYS A 228 ? 0.6333 0.7042 0.7255 0.0086 0.0218 0.1405 209 LYS H CD 1680 C CE . LYS A 228 ? 0.6554 0.7448 0.7662 0.0100 0.0246 0.1580 209 LYS H CE 1681 N NZ . LYS A 228 ? 0.6501 0.7447 0.8021 0.0027 0.0150 0.1750 209 LYS H NZ 1682 N N . ARG A 229 ? 0.2501 0.2972 0.3196 0.0105 0.0194 0.1197 210 ARG H N 1683 C CA . ARG A 229 ? 0.3092 0.3451 0.3822 0.0062 0.0111 0.1138 210 ARG H CA 1684 C C . ARG A 229 ? 0.2251 0.2487 0.3054 -0.0011 -0.0019 0.1062 210 ARG H C 1685 O O . ARG A 229 ? 0.3899 0.4176 0.4903 -0.0048 -0.0075 0.1135 210 ARG H O 1686 C CB . ARG A 229 ? 0.2256 0.2736 0.3215 0.0069 0.0100 0.1287 210 ARG H CB 1687 C CG . ARG A 229 ? 0.2793 0.3389 0.3667 0.0155 0.0219 0.1343 210 ARG H CG 1688 C CD . ARG A 229 ? 0.2795 0.3481 0.3883 0.0153 0.0194 0.1470 210 ARG H CD 1689 N NE . ARG A 229 ? 0.2784 0.3618 0.4202 0.0126 0.0156 0.1663 210 ARG H NE 1690 C CZ . ARG A 229 ? 0.2804 0.3863 0.4333 0.0192 0.0252 0.1844 210 ARG H CZ 1691 N NH1 . ARG A 229 ? 0.2847 0.4002 0.4152 0.0300 0.0382 0.1828 210 ARG H NH1 1692 N NH2 . ARG A 229 ? 0.2791 0.3994 0.4673 0.0160 0.0211 0.2047 210 ARG H NH2 1693 N N . VAL A 230 ? 0.3458 0.3560 0.4110 -0.0020 -0.0067 0.0920 211 VAL H N 1694 C CA . VAL A 230 ? 0.3966 0.3964 0.4646 -0.0060 -0.0194 0.0821 211 VAL H CA 1695 C C . VAL A 230 ? 0.3945 0.3907 0.4680 -0.0059 -0.0299 0.0774 211 VAL H C 1696 O O . VAL A 230 ? 0.4561 0.4508 0.5146 -0.0026 -0.0258 0.0734 211 VAL H O 1697 C CB . VAL A 230 ? 0.3832 0.3728 0.4260 -0.0052 -0.0164 0.0686 211 VAL H CB 1698 C CG1 . VAL A 230 ? 0.6083 0.5956 0.6298 -0.0010 -0.0067 0.0642 211 VAL H CG1 1699 C CG2 . VAL A 230 ? 0.3808 0.3616 0.4229 -0.0064 -0.0293 0.0571 211 VAL H CG2 1700 N N . GLU A 231 ? 0.3902 0.3855 0.4873 -0.0091 -0.0445 0.0778 212 GLU H N 1701 C CA . GLU A 231 ? 0.4452 0.4376 0.5490 -0.0077 -0.0577 0.0711 212 GLU H CA 1702 C C . GLU A 231 ? 0.6173 0.6018 0.7293 -0.0082 -0.0749 0.0585 212 GLU H C 1703 O O . GLU A 231 ? 0.6799 0.6615 0.7986 -0.0112 -0.0766 0.0581 212 GLU H O 1704 C CB . GLU A 231 ? 0.4146 0.4160 0.5470 -0.0096 -0.0614 0.0851 212 GLU H CB 1705 C CG . GLU A 231 ? 0.4037 0.4136 0.5271 -0.0069 -0.0460 0.0955 212 GLU H CG 1706 C CD . GLU A 231 ? 0.3962 0.4170 0.5496 -0.0084 -0.0490 0.1113 212 GLU H CD 1707 O OE1 . GLU A 231 ? 0.3950 0.4171 0.5802 -0.0125 -0.0624 0.1166 212 GLU H OE1 1708 O OE2 . GLU A 231 ? 0.3915 0.4196 0.5391 -0.0052 -0.0385 0.1189 212 GLU H OE2 1709 N N . PRO A 232 ? 0.6764 0.6582 0.7875 -0.0042 -0.0882 0.0473 213 PRO H N 1716 N N . ASP B 2 ? 0.3551 0.4214 0.5184 -0.0226 -0.0033 -0.0544 10 ASP L N 1717 C CA . ASP B 2 ? 0.2985 0.3733 0.4581 -0.0161 -0.0054 -0.0652 10 ASP L CA 1718 C C . ASP B 2 ? 0.3580 0.3951 0.4872 -0.0189 -0.0263 -0.0791 10 ASP L C 1719 O O . ASP B 2 ? 0.5734 0.5810 0.7048 -0.0267 -0.0477 -0.0790 10 ASP L O 1720 C CB . ASP B 2 ? 0.3109 0.4159 0.5219 -0.0160 -0.0056 -0.0545 10 ASP L CB 1721 C CG . ASP B 2 ? 0.5357 0.6810 0.7661 -0.0029 0.0220 -0.0402 10 ASP L CG 1722 O OD1 . ASP B 2 ? 0.5885 0.7345 0.7948 0.0024 0.0374 -0.0389 10 ASP L OD1 1723 O OD2 . ASP B 2 ? 0.5081 0.6832 0.7754 0.0048 0.0292 -0.0290 10 ASP L OD2 1724 N N . ILE B 3 ? 0.2878 0.3226 0.3877 -0.0112 -0.0220 -0.0891 11 ILE L N 1725 C CA . ILE B 3 ? 0.3112 0.3136 0.3796 -0.0100 -0.0360 -0.0980 11 ILE L CA 1726 C C . ILE B 3 ? 0.3685 0.3796 0.4399 -0.0067 -0.0417 -0.1061 11 ILE L C 1727 O O . ILE B 3 ? 0.3211 0.3585 0.4042 -0.0020 -0.0332 -0.1070 11 ILE L O 1728 C CB . ILE B 3 ? 0.3763 0.3640 0.4061 -0.0031 -0.0254 -0.0958 11 ILE L CB 1729 C CG1 . ILE B 3 ? 0.3886 0.4042 0.4215 0.0012 -0.0104 -0.0934 11 ILE L CG1 1730 C CG2 . ILE B 3 ? 0.3900 0.3607 0.4084 -0.0042 -0.0225 -0.0896 11 ILE L CG2 1731 C CD1 . ILE B 3 ? 0.4717 0.4797 0.4795 0.0069 -0.0006 -0.0860 11 ILE L CD1 1732 N N . SER B 4 ? 0.3597 0.3432 0.4151 -0.0070 -0.0582 -0.1123 12 SER L N 1733 C CA . SER B 4 ? 0.3595 0.3459 0.4135 -0.0043 -0.0654 -0.1194 12 SER L CA 1734 C C . SER B 4 ? 0.3766 0.3383 0.3932 0.0022 -0.0659 -0.1180 12 SER L C 1735 O O . SER B 4 ? 0.4105 0.3388 0.3978 0.0067 -0.0704 -0.1166 12 SER L O 1736 C CB . SER B 4 ? 0.4407 0.4208 0.5164 -0.0092 -0.0846 -0.1253 12 SER L CB 1737 O OG . SER B 4 ? 0.4422 0.4533 0.5611 -0.0123 -0.0801 -0.1199 12 SER L OG 1738 N N . VAL B 5 ? 0.3525 0.3283 0.3695 0.0049 -0.0620 -0.1158 13 VAL L N 1739 C CA . VAL B 5 ? 0.3679 0.3296 0.3610 0.0117 -0.0588 -0.1064 13 VAL L CA 1740 C C . VAL B 5 ? 0.3657 0.3290 0.3657 0.0112 -0.0710 -0.1085 13 VAL L C 1741 O O . VAL B 5 ? 0.3861 0.3676 0.4078 0.0070 -0.0785 -0.1149 13 VAL L O 1742 C CB . VAL B 5 ? 0.5047 0.4830 0.4994 0.0141 -0.0431 -0.0921 13 VAL L CB 1743 C CG1 . VAL B 5 ? 0.6496 0.6219 0.6327 0.0219 -0.0378 -0.0746 13 VAL L CG1 1744 C CG2 . VAL B 5 ? 0.5922 0.5659 0.5758 0.0158 -0.0306 -0.0893 13 VAL L CG2 1745 N N . ALA B 6 ? 0.4196 0.3598 0.3961 0.0185 -0.0733 -0.1027 14 ALA L N 1746 C CA . ALA B 6 ? 0.4419 0.3824 0.4245 0.0183 -0.0839 -0.1005 14 ALA L CA 1747 C C . ALA B 6 ? 0.4221 0.3838 0.4226 0.0175 -0.0776 -0.0812 14 ALA L C 1748 O O . ALA B 6 ? 0.3618 0.3286 0.3576 0.0229 -0.0611 -0.0638 14 ALA L O 1749 C CB . ALA B 6 ? 0.3405 0.2472 0.2885 0.0296 -0.0866 -0.0978 14 ALA L CB 1750 N N . PRO B 7 ? 0.3922 0.3643 0.4155 0.0110 -0.0938 -0.0828 15 PRO L N 1751 C CA . PRO B 7 ? 0.3261 0.3136 0.3738 0.0075 -0.0977 -0.0624 15 PRO L CA 1752 C C . PRO B 7 ? 0.3326 0.3203 0.3777 0.0157 -0.0816 -0.0319 15 PRO L C 1753 O O . PRO B 7 ? 0.4171 0.3885 0.4416 0.0245 -0.0777 -0.0280 15 PRO L O 1754 C CB . PRO B 7 ? 0.4494 0.4335 0.5113 0.0018 -0.1231 -0.0707 15 PRO L CB 1755 C CG . PRO B 7 ? 0.4095 0.3873 0.4601 0.0023 -0.1292 -0.0992 15 PRO L CG 1756 C CD . PRO B 7 ? 0.4295 0.3968 0.4582 0.0070 -0.1127 -0.1030 15 PRO L CD 1757 N N . GLY B 8 ? 0.3199 0.3251 0.3846 0.0156 -0.0716 -0.0088 16 GLY L N 1758 C CA . GLY B 8 ? 0.2965 0.3088 0.3646 0.0271 -0.0512 0.0268 16 GLY L CA 1759 C C . GLY B 8 ? 0.4350 0.4410 0.4709 0.0416 -0.0242 0.0303 16 GLY L C 1760 O O . GLY B 8 ? 0.5474 0.5675 0.5930 0.0517 -0.0045 0.0615 16 GLY L O 1761 N N . GLU B 9 ? 0.3629 0.3473 0.3635 0.0433 -0.0248 0.0006 17 GLU L N 1762 C CA . GLU B 9 ? 0.4772 0.4480 0.4439 0.0559 -0.0057 0.0000 17 GLU L CA 1763 C C . GLU B 9 ? 0.4377 0.4309 0.4278 0.0467 -0.0013 0.0015 17 GLU L C 1764 O O . GLU B 9 ? 0.3361 0.3491 0.3616 0.0318 -0.0159 -0.0016 17 GLU L O 1765 C CB . GLU B 9 ? 0.4596 0.3970 0.3886 0.0579 -0.0150 -0.0294 17 GLU L CB 1766 C CG . GLU B 9 ? 0.5939 0.4976 0.4858 0.0723 -0.0196 -0.0311 17 GLU L CG 1767 C CD . GLU B 9 ? 0.8243 0.6901 0.6838 0.0725 -0.0361 -0.0584 17 GLU L CD 1768 O OE1 . GLU B 9 ? 0.8415 0.7183 0.7252 0.0556 -0.0474 -0.0761 17 GLU L OE1 1769 O OE2 . GLU B 9 ? 0.9033 0.7264 0.7135 0.0913 -0.0390 -0.0597 17 GLU L OE2 1770 N N . THR B 10 ? 0.4923 0.4768 0.4569 0.0579 0.0165 0.0056 18 THR L N 1771 C CA . THR B 10 ? 0.5701 0.5740 0.5533 0.0511 0.0225 0.0089 18 THR L CA 1772 C C . THR B 10 ? 0.4265 0.4176 0.3922 0.0451 0.0185 -0.0178 18 THR L C 1773 O O . THR B 10 ? 0.4348 0.3967 0.3654 0.0527 0.0184 -0.0297 18 THR L O 1774 C CB . THR B 10 ? 0.6446 0.6551 0.6214 0.0681 0.0475 0.0393 18 THR L CB 1775 O OG1 . THR B 10 ? 0.7804 0.8103 0.7794 0.0597 0.0502 0.0425 18 THR L OG1 1776 C CG2 . THR B 10 ? 0.7428 0.7171 0.6602 0.0908 0.0619 0.0350 18 THR L CG2 1777 N N . ALA B 11 ? 0.3806 0.3910 0.3710 0.0326 0.0131 -0.0252 19 ALA L N 1778 C CA . ALA B 11 ? 0.4834 0.4891 0.4664 0.0271 0.0119 -0.0443 19 ALA L CA 1779 C C . ALA B 11 ? 0.4343 0.4436 0.4104 0.0307 0.0271 -0.0360 19 ALA L C 1780 O O . ALA B 11 ? 0.3564 0.3825 0.3481 0.0314 0.0332 -0.0199 19 ALA L O 1781 C CB . ALA B 11 ? 0.4712 0.4925 0.4778 0.0167 -0.0016 -0.0585 19 ALA L CB 1782 N N . ARG B 12 ? 0.4345 0.4265 0.3902 0.0320 0.0301 -0.0458 20 ARG L N 1783 C CA . ARG B 12 ? 0.4191 0.4108 0.3654 0.0352 0.0429 -0.0399 20 ARG L CA 1784 C C . ARG B 12 ? 0.4334 0.4290 0.3898 0.0252 0.0392 -0.0528 20 ARG L C 1785 O O . ARG B 12 ? 0.4650 0.4438 0.4170 0.0217 0.0295 -0.0625 20 ARG L O 1786 C CB . ARG B 12 ? 0.3932 0.3535 0.2984 0.0521 0.0516 -0.0325 20 ARG L CB 1787 C CG . ARG B 12 ? 0.4535 0.4221 0.3537 0.0675 0.0681 -0.0082 20 ARG L CG 1788 C CD . ARG B 12 ? 0.6571 0.5901 0.5097 0.0911 0.0741 -0.0016 20 ARG L CD 1789 N NE . ARG B 12 ? 0.6500 0.5976 0.5035 0.1097 0.0956 0.0288 20 ARG L NE 1790 C CZ . ARG B 12 ? 0.7065 0.6496 0.5498 0.1253 0.1021 0.0444 20 ARG L CZ 1791 N NH1 . ARG B 12 ? 0.8502 0.8136 0.7036 0.1433 0.1251 0.0792 20 ARG L NH1 1792 N NH2 . ARG B 12 ? 0.6148 0.5347 0.4408 0.1239 0.0864 0.0283 20 ARG L NH2 1793 N N . ILE B 13 ? 0.4744 0.4914 0.4464 0.0214 0.0458 -0.0499 21 ILE L N 1794 C CA . ILE B 13 ? 0.4061 0.4320 0.3895 0.0153 0.0471 -0.0568 21 ILE L CA 1795 C C . ILE B 13 ? 0.4257 0.4524 0.4008 0.0174 0.0596 -0.0493 21 ILE L C 1796 O O . ILE B 13 ? 0.4995 0.5371 0.4761 0.0205 0.0653 -0.0418 21 ILE L O 1797 C CB . ILE B 13 ? 0.4017 0.4490 0.4042 0.0139 0.0429 -0.0625 21 ILE L CB 1798 C CG1 . ILE B 13 ? 0.3690 0.4149 0.3792 0.0125 0.0296 -0.0702 21 ILE L CG1 1799 C CG2 . ILE B 13 ? 0.3604 0.4199 0.3736 0.0133 0.0502 -0.0643 21 ILE L CG2 1800 C CD1 . ILE B 13 ? 0.3859 0.4451 0.4057 0.0159 0.0228 -0.0768 21 ILE L CD1 1801 N N . SER B 14 ? 0.4599 0.4729 0.4287 0.0150 0.0605 -0.0502 22 SER L N 1802 C CA . SER B 14 ? 0.4139 0.4255 0.3746 0.0164 0.0711 -0.0437 22 SER L CA 1803 C C . SER B 14 ? 0.3688 0.4016 0.3519 0.0108 0.0763 -0.0435 22 SER L C 1804 O O . SER B 14 ? 0.3737 0.4149 0.3783 0.0058 0.0713 -0.0458 22 SER L O 1805 C CB . SER B 14 ? 0.5005 0.4777 0.4365 0.0192 0.0658 -0.0430 22 SER L CB 1806 O OG . SER B 14 ? 0.5442 0.5098 0.4943 0.0101 0.0504 -0.0480 22 SER L OG 1807 N N . CYS B 15 ? 0.4166 0.4585 0.3952 0.0140 0.0875 -0.0380 23 CYS L N 1808 C CA . CYS B 15 ? 0.3207 0.3813 0.3130 0.0144 0.0962 -0.0354 23 CYS L CA 1809 C C . CYS B 15 ? 0.3663 0.4242 0.3484 0.0158 0.1069 -0.0278 23 CYS L C 1810 O O . CYS B 15 ? 0.3490 0.4002 0.3144 0.0198 0.1092 -0.0258 23 CYS L O 1811 C CB . CYS B 15 ? 0.2457 0.3202 0.2374 0.0226 0.0955 -0.0401 23 CYS L CB 1812 S SG . CYS B 15 ? 0.7815 0.8723 0.7730 0.0340 0.1095 -0.0359 23 CYS L SG 1813 N N . GLY B 16 ? 0.3824 0.4476 0.3794 0.0125 0.1135 -0.0206 24 GLY L N 1814 C CA . GLY B 16 ? 0.3821 0.4460 0.3712 0.0137 0.1239 -0.0125 24 GLY L CA 1815 C C . GLY B 16 ? 0.4231 0.4621 0.4039 0.0070 0.1175 -0.0090 24 GLY L C 1816 O O . GLY B 16 ? 0.3850 0.4022 0.3593 0.0039 0.1036 -0.0137 24 GLY L O 1817 N N . GLU B 17 ? 0.4078 0.4448 0.3829 0.0074 0.1259 -0.0013 25 GLU L N 1818 C CA . GLU B 17 ? 0.4695 0.4776 0.4312 0.0035 0.1178 0.0019 25 GLU L CA 1819 C C . GLU B 17 ? 0.4581 0.4463 0.3829 0.0138 0.1189 -0.0032 25 GLU L C 1820 O O . GLU B 17 ? 0.4381 0.4400 0.3576 0.0207 0.1256 -0.0056 25 GLU L O 1821 C CB . GLU B 17 ? 0.4884 0.5034 0.4612 0.0000 0.1266 0.0144 25 GLU L CB 1822 C CG . GLU B 17 ? 0.4669 0.5065 0.4833 -0.0075 0.1300 0.0282 25 GLU L CG 1823 C CD . GLU B 17 ? 0.4583 0.5087 0.4865 -0.0084 0.1428 0.0448 25 GLU L CD 1824 O OE1 . GLU B 17 ? 0.4572 0.4983 0.4557 -0.0020 0.1504 0.0417 25 GLU L OE1 1825 O OE2 . GLU B 17 ? 0.4552 0.5249 0.5256 -0.0149 0.1458 0.0638 25 GLU L OE2 1826 N N . LYS B 18 ? 0.4688 0.4234 0.3695 0.0164 0.1110 -0.0021 26 LYS L N 1827 C CA . LYS B 18 ? 0.4719 0.4086 0.3362 0.0314 0.1167 -0.0021 26 LYS L CA 1828 C C . LYS B 18 ? 0.4710 0.4293 0.3376 0.0347 0.1330 0.0045 26 LYS L C 1829 O O . LYS B 18 ? 0.4658 0.4349 0.3460 0.0274 0.1372 0.0082 26 LYS L O 1830 C CB . LYS B 18 ? 0.5114 0.3995 0.3403 0.0383 0.1029 -0.0032 26 LYS L CB 1831 C CG . LYS B 18 ? 0.6091 0.4637 0.4273 0.0377 0.0801 -0.0107 26 LYS L CG 1832 C CD . LYS B 18 ? 0.7403 0.5338 0.5122 0.0486 0.0599 -0.0135 26 LYS L CD 1833 C CE . LYS B 18 ? 0.8664 0.6170 0.6202 0.0508 0.0317 -0.0222 26 LYS L CE 1834 N NZ . LYS B 18 ? 0.9754 0.6534 0.6746 0.0645 0.0044 -0.0268 26 LYS L NZ 1835 N N . SER B 19 ? 0.4473 0.4122 0.3033 0.0463 0.1416 0.0087 27 SER L N 1836 C CA . SER B 19 ? 0.3790 0.3657 0.2524 0.0444 0.1398 0.0142 27 SER L CA 1837 C C . SER B 19 ? 0.4419 0.4135 0.2993 0.0498 0.1415 0.0194 27 SER L C 1838 O O . SER B 19 ? 0.4519 0.3969 0.2822 0.0615 0.1421 0.0217 27 SER L O 1839 C CB . SER B 19 ? 0.4010 0.4013 0.2861 0.0503 0.1374 0.0213 27 SER L CB 1840 O OG . SER B 19 ? 0.3472 0.3300 0.2143 0.0637 0.1394 0.0285 27 SER L OG 1841 N N . LEU B 20 ? 0.3326 0.3171 0.2013 0.0440 0.1418 0.0208 28 LEU L N 1842 C CA . LEU B 20 ? 0.4270 0.3979 0.2818 0.0476 0.1439 0.0251 28 LEU L CA 1843 C C . LEU B 20 ? 0.4508 0.4333 0.3148 0.0527 0.1421 0.0317 28 LEU L C 1844 O O . LEU B 20 ? 0.5356 0.5051 0.3871 0.0629 0.1439 0.0378 28 LEU L O 1845 C CB . LEU B 20 ? 0.3488 0.3229 0.2078 0.0391 0.1479 0.0250 28 LEU L CB 1846 C CG . LEU B 20 ? 0.5118 0.4710 0.3563 0.0415 0.1506 0.0300 28 LEU L CG 1847 C CD1 . LEU B 20 ? 0.5008 0.4204 0.3092 0.0506 0.1526 0.0314 28 LEU L CD1 1848 C CD2 . LEU B 20 ? 0.3674 0.3335 0.2208 0.0333 0.1568 0.0341 28 LEU L CD2 1849 N N . GLY B 21 ? 0.3679 0.3702 0.2499 0.0484 0.1401 0.0321 29 GLY L N 1850 C CA . GLY B 21 ? 0.3346 0.3451 0.2259 0.0543 0.1409 0.0424 29 GLY L CA 1851 C C . GLY B 21 ? 0.3710 0.3964 0.2802 0.0570 0.1409 0.0501 29 GLY L C 1852 O O . GLY B 21 ? 0.4067 0.4331 0.3181 0.0559 0.1400 0.0466 29 GLY L O 1853 N N . SER B 22 ? 0.4717 0.5088 0.3948 0.0618 0.1426 0.0639 30 SER L N 1859 N N . ARG B 23 ? 0.4175 0.3607 0.3800 0.1146 0.0479 0.0235 31 ARG L N 1860 C CA . ARG B 23 ? 0.3500 0.2927 0.3139 0.0919 0.0416 0.0205 31 ARG L CA 1861 C C . ARG B 23 ? 0.2844 0.2610 0.2788 0.0820 0.0374 0.0308 31 ARG L C 1862 O O . ARG B 23 ? 0.2435 0.2512 0.2626 0.0896 0.0418 0.0417 31 ARG L O 1863 C CB . ARG B 23 ? 0.4084 0.3398 0.3535 0.0876 0.0463 0.0099 31 ARG L CB 1864 C CG . ARG B 23 ? 0.4680 0.3588 0.3844 0.0866 0.0436 -0.0027 31 ARG L CG 1865 C CD . ARG B 23 ? 0.4786 0.3630 0.3811 0.0787 0.0434 -0.0130 31 ARG L CD 1866 N NE . ARG B 23 ? 0.6190 0.4701 0.5062 0.0663 0.0360 -0.0221 31 ARG L NE 1867 C CZ . ARG B 23 ? 0.5979 0.4430 0.4775 0.0548 0.0315 -0.0305 31 ARG L CZ 1868 N NH1 . ARG B 23 ? 0.5498 0.4178 0.4312 0.0562 0.0340 -0.0316 31 ARG L NH1 1869 N NH2 . ARG B 23 ? 0.5153 0.3335 0.3882 0.0414 0.0241 -0.0358 31 ARG L NH2 1870 N N . ALA B 24 ? 0.3515 0.3209 0.3444 0.0653 0.0287 0.0276 32 ALA L N 1871 C CA . ALA B 24 ? 0.3459 0.3360 0.3612 0.0537 0.0225 0.0330 32 ALA L CA 1872 C C . ALA B 24 ? 0.2982 0.2750 0.2991 0.0415 0.0221 0.0243 32 ALA L C 1873 O O . ALA B 24 ? 0.3193 0.2806 0.3079 0.0344 0.0161 0.0189 32 ALA L O 1874 C CB . ALA B 24 ? 0.2719 0.2655 0.2991 0.0500 0.0083 0.0372 32 ALA L CB 1875 N N . VAL B 25 ? 0.2613 0.2465 0.2631 0.0411 0.0294 0.0241 33 VAL L N 1876 C CA . VAL B 25 ? 0.2002 0.1761 0.1902 0.0319 0.0291 0.0166 33 VAL L CA 1877 C C . VAL B 25 ? 0.3386 0.3251 0.3452 0.0230 0.0234 0.0209 33 VAL L C 1878 O O . VAL B 25 ? 0.2984 0.3032 0.3259 0.0233 0.0240 0.0312 33 VAL L O 1879 C CB . VAL B 25 ? 0.2077 0.1833 0.1843 0.0373 0.0372 0.0127 33 VAL L CB 1880 C CG1 . VAL B 25 ? 0.2964 0.2677 0.2660 0.0278 0.0348 0.0066 33 VAL L CG1 1881 C CG2 . VAL B 25 ? 0.5860 0.5416 0.5419 0.0460 0.0400 0.0051 33 VAL L CG2 1882 N N . GLN B 26 ? 0.2588 0.2332 0.2566 0.0158 0.0181 0.0140 34 GLN L N 1883 C CA . GLN B 26 ? 0.2940 0.2709 0.3020 0.0098 0.0121 0.0149 34 GLN L CA 1884 C C . GLN B 26 ? 0.2725 0.2497 0.2732 0.0084 0.0170 0.0114 34 GLN L C 1885 O O . GLN B 26 ? 0.2629 0.2348 0.2491 0.0085 0.0213 0.0051 34 GLN L O 1886 C CB . GLN B 26 ? 0.2940 0.2575 0.2946 0.0074 0.0023 0.0090 34 GLN L CB 1887 C CG . GLN B 26 ? 0.1943 0.1594 0.2065 0.0074 -0.0088 0.0131 34 GLN L CG 1888 C CD . GLN B 26 ? 0.2589 0.2287 0.2700 0.0136 -0.0049 0.0170 34 GLN L CD 1889 O OE1 . GLN B 26 ? 0.2804 0.2668 0.3124 0.0162 -0.0046 0.0263 34 GLN L OE1 1890 N NE2 . GLN B 26 ? 0.2714 0.2270 0.2595 0.0170 -0.0011 0.0118 34 GLN L NE2 1891 N N . TRP B 27 ? 0.2874 0.2710 0.3005 0.0064 0.0150 0.0169 35 TRP L N 1892 C CA . TRP B 27 ? 0.2207 0.2063 0.2286 0.0067 0.0176 0.0151 35 TRP L CA 1893 C C . TRP B 27 ? 0.3246 0.3014 0.3367 0.0049 0.0105 0.0128 35 TRP L C 1894 O O . TRP B 27 ? 0.3412 0.3121 0.3659 0.0023 0.0026 0.0170 35 TRP L O 1895 C CB . TRP B 27 ? 0.2280 0.2276 0.2418 0.0098 0.0231 0.0253 35 TRP L CB 1896 C CG . TRP B 27 ? 0.2433 0.2482 0.2435 0.0161 0.0306 0.0235 35 TRP L CG 1897 C CD1 . TRP B 27 ? 0.2757 0.2868 0.2786 0.0218 0.0358 0.0286 35 TRP L CD1 1898 C CD2 . TRP B 27 ? 0.2592 0.2617 0.2402 0.0187 0.0322 0.0151 35 TRP L CD2 1899 N NE1 . TRP B 27 ? 0.3183 0.3269 0.3003 0.0299 0.0413 0.0223 35 TRP L NE1 1900 C CE2 . TRP B 27 ? 0.3332 0.3349 0.3012 0.0267 0.0376 0.0133 35 TRP L CE2 1901 C CE3 . TRP B 27 ? 0.3307 0.3323 0.3056 0.0155 0.0281 0.0088 35 TRP L CE3 1902 C CZ2 . TRP B 27 ? 0.4376 0.4317 0.3831 0.0306 0.0367 0.0031 35 TRP L CZ2 1903 C CZ3 . TRP B 27 ? 0.5197 0.5193 0.4778 0.0172 0.0267 0.0008 35 TRP L CZ3 1904 C CH2 . TRP B 27 ? 0.5461 0.5390 0.4878 0.0242 0.0299 -0.0031 35 TRP L CH2 1905 N N . TYR B 28 ? 0.1758 0.1513 0.1785 0.0069 0.0123 0.0061 36 TYR L N 1906 C CA . TYR B 28 ? 0.2304 0.1966 0.2330 0.0100 0.0072 0.0022 36 TYR L CA 1907 C C . TYR B 28 ? 0.2974 0.2718 0.3034 0.0138 0.0093 0.0048 36 TYR L C 1908 O O . TYR B 28 ? 0.2102 0.1987 0.2137 0.0136 0.0141 0.0049 36 TYR L O 1909 C CB . TYR B 28 ? 0.1912 0.1510 0.1792 0.0131 0.0087 -0.0071 36 TYR L CB 1910 C CG . TYR B 28 ? 0.2467 0.1955 0.2277 0.0117 0.0038 -0.0095 36 TYR L CG 1911 C CD1 . TYR B 28 ? 0.2546 0.1866 0.2324 0.0140 -0.0075 -0.0139 36 TYR L CD1 1912 C CD2 . TYR B 28 ? 0.2512 0.2040 0.2278 0.0088 0.0084 -0.0079 36 TYR L CD2 1913 C CE1 . TYR B 28 ? 0.2717 0.1952 0.2425 0.0132 -0.0150 -0.0162 36 TYR L CE1 1914 C CE2 . TYR B 28 ? 0.3202 0.2644 0.2905 0.0092 0.0029 -0.0087 36 TYR L CE2 1915 C CZ . TYR B 28 ? 0.3157 0.2474 0.2834 0.0113 -0.0092 -0.0126 36 TYR L CZ 1916 O OH . TYR B 28 ? 0.4081 0.3327 0.3690 0.0121 -0.0177 -0.0136 36 TYR L OH 1917 N N . GLN B 29 ? 0.2169 0.1804 0.2286 0.0176 0.0033 0.0066 37 GLN L N 1918 C CA . GLN B 29 ? 0.2456 0.2151 0.2611 0.0238 0.0038 0.0105 37 GLN L CA 1919 C C . GLN B 29 ? 0.2913 0.2543 0.3008 0.0338 0.0033 0.0015 37 GLN L C 1920 O O . GLN B 29 ? 0.2664 0.2081 0.2693 0.0377 -0.0023 -0.0053 37 GLN L O 1921 C CB . GLN B 29 ? 0.2499 0.2101 0.2775 0.0225 -0.0016 0.0227 37 GLN L CB 1922 C CG . GLN B 29 ? 0.2735 0.2369 0.3039 0.0305 -0.0022 0.0292 37 GLN L CG 1923 C CD . GLN B 29 ? 0.2950 0.2424 0.3379 0.0288 -0.0083 0.0431 37 GLN L CD 1924 O OE1 . GLN B 29 ? 0.4226 0.3442 0.4708 0.0269 -0.0174 0.0405 37 GLN L OE1 1925 N NE2 . GLN B 29 ? 0.3398 0.3007 0.3863 0.0292 -0.0044 0.0587 37 GLN L NE2 1926 N N . HIS B 30 ? 0.2046 0.1870 0.2158 0.0392 0.0085 0.0013 38 HIS L N 1927 C CA . HIS B 30 ? 0.3128 0.2967 0.3212 0.0520 0.0112 -0.0048 38 HIS L CA 1928 C C . HIS B 30 ? 0.3177 0.3142 0.3365 0.0618 0.0103 0.0008 38 HIS L C 1929 O O . HIS B 30 ? 0.3086 0.3324 0.3363 0.0597 0.0129 0.0047 38 HIS L O 1930 C CB . HIS B 30 ? 0.3807 0.3835 0.3861 0.0504 0.0205 -0.0091 38 HIS L CB 1931 C CG . HIS B 30 ? 0.3933 0.4051 0.3973 0.0656 0.0272 -0.0127 38 HIS L CG 1932 N ND1 . HIS B 30 ? 0.4221 0.4102 0.4108 0.0804 0.0255 -0.0206 38 HIS L ND1 1933 C CD2 . HIS B 30 ? 0.4619 0.5053 0.4785 0.0696 0.0358 -0.0092 38 HIS L CD2 1934 C CE1 . HIS B 30 ? 0.4620 0.4672 0.4506 0.0958 0.0351 -0.0220 38 HIS L CE1 1935 N NE2 . HIS B 30 ? 0.4455 0.4875 0.4545 0.0888 0.0422 -0.0136 38 HIS L NE2 1936 N N . ARG B 31 ? 0.4216 0.3957 0.4391 0.0727 0.0044 0.0010 39 ARG L N 1937 C CA . ARG B 31 ? 0.4392 0.4215 0.4652 0.0860 0.0030 0.0067 39 ARG L CA 1938 C C . ARG B 31 ? 0.4218 0.4178 0.4474 0.1030 0.0103 -0.0005 39 ARG L C 1939 O O . ARG B 31 ? 0.4882 0.4735 0.5006 0.1082 0.0147 -0.0107 39 ARG L O 1940 C CB . ARG B 31 ? 0.4303 0.3780 0.4557 0.0912 -0.0067 0.0116 39 ARG L CB 1941 C CG . ARG B 31 ? 0.4606 0.4024 0.4920 0.0763 -0.0112 0.0247 39 ARG L CG 1942 C CD . ARG B 31 ? 0.4683 0.3703 0.5022 0.0752 -0.0215 0.0290 39 ARG L CD 1943 N NE . ARG B 31 ? 0.5411 0.4434 0.5856 0.0609 -0.0231 0.0459 39 ARG L NE 1944 C CZ . ARG B 31 ? 0.5038 0.3791 0.5577 0.0508 -0.0316 0.0522 39 ARG L CZ 1945 N NH1 . ARG B 31 ? 0.5785 0.4187 0.6284 0.0532 -0.0426 0.0397 39 ARG L NH1 1946 N NH2 . ARG B 31 ? 0.4393 0.3235 0.5066 0.0388 -0.0295 0.0714 39 ARG L NH2 1947 N N . ALA B 32 ? 0.4713 0.4937 0.5112 0.1131 0.0118 0.0058 40 ALA L N 1948 C CA . ALA B 32 ? 0.5196 0.5653 0.5659 0.1309 0.0209 0.0026 40 ALA L CA 1949 C C . ALA B 32 ? 0.5504 0.5634 0.5778 0.1516 0.0226 -0.0083 40 ALA L C 1950 O O . ALA B 32 ? 0.5472 0.5251 0.5671 0.1614 0.0132 -0.0094 40 ALA L O 1951 C CB . ALA B 32 ? 0.5516 0.6278 0.6189 0.1409 0.0184 0.0126 40 ALA L CB 1952 N N . GLY B 33 ? 0.4533 0.4758 0.4707 0.1587 0.0342 -0.0159 41 GLY L N 1953 C CA . GLY B 33 ? 0.4587 0.4523 0.4512 0.1826 0.0369 -0.0286 41 GLY L CA 1954 C C . GLY B 33 ? 0.5528 0.4893 0.5207 0.1783 0.0220 -0.0395 41 GLY L C 1955 O O . GLY B 33 ? 0.6282 0.5274 0.5755 0.1986 0.0163 -0.0510 41 GLY L O 1956 N N . GLN B 34 ? 0.5769 0.5063 0.5479 0.1524 0.0147 -0.0361 42 GLN L N 1957 C CA . GLN B 34 ? 0.5373 0.4197 0.4933 0.1440 -0.0008 -0.0435 42 GLN L CA 1958 C C . GLN B 34 ? 0.4580 0.3428 0.4037 0.1280 0.0002 -0.0474 42 GLN L C 1959 O O . GLN B 34 ? 0.4554 0.3752 0.4105 0.1174 0.0112 -0.0406 42 GLN L O 1960 C CB . GLN B 34 ? 0.5487 0.4188 0.5240 0.1291 -0.0125 -0.0311 42 GLN L CB 1961 C CG . GLN B 34 ? 0.5867 0.4142 0.5569 0.1164 -0.0292 -0.0344 42 GLN L CG 1962 C CD . GLN B 34 ? 0.7074 0.5334 0.7009 0.0991 -0.0360 -0.0166 42 GLN L CD 1963 O OE1 . GLN B 34 ? 0.7885 0.6339 0.7952 0.1020 -0.0311 -0.0037 42 GLN L OE1 1964 N NE2 . GLN B 34 ? 0.7416 0.5472 0.7408 0.0817 -0.0473 -0.0142 42 GLN L NE2 1965 N N . ALA B 35 ? 0.4864 0.3320 0.4132 0.1265 -0.0133 -0.0584 43 ALA L N 1966 C CA . ALA B 35 ? 0.5033 0.3489 0.4210 0.1121 -0.0157 -0.0611 43 ALA L CA 1967 C C . ALA B 35 ? 0.3855 0.2511 0.3296 0.0878 -0.0160 -0.0465 43 ALA L C 1968 O O . ALA B 35 ? 0.3848 0.2448 0.3481 0.0798 -0.0228 -0.0371 43 ALA L O 1969 C CB . ALA B 35 ? 0.4127 0.2119 0.3090 0.1140 -0.0354 -0.0752 43 ALA L CB 1970 N N . PRO B 36 ? 0.3443 0.2323 0.2875 0.0780 -0.0076 -0.0436 44 PRO L N 1971 C CA . PRO B 36 ? 0.2936 0.1972 0.2560 0.0588 -0.0075 -0.0322 44 PRO L CA 1972 C C . PRO B 36 ? 0.3596 0.2401 0.3287 0.0478 -0.0231 -0.0308 44 PRO L C 1973 O O . PRO B 36 ? 0.3746 0.2260 0.3306 0.0522 -0.0360 -0.0410 44 PRO L O 1974 C CB . PRO B 36 ? 0.2620 0.1835 0.2155 0.0547 0.0025 -0.0327 44 PRO L CB 1975 C CG . PRO B 36 ? 0.2765 0.2070 0.2158 0.0703 0.0134 -0.0380 44 PRO L CG 1976 C CD . PRO B 36 ? 0.3119 0.2136 0.2361 0.0864 0.0045 -0.0486 44 PRO L CD 1977 N N . SER B 37 ? 0.4544 0.3486 0.4439 0.0344 -0.0224 -0.0182 45 SER L N 1978 C CA . SER B 37 ? 0.4471 0.3291 0.4515 0.0225 -0.0349 -0.0121 45 SER L CA 1979 C C . SER B 37 ? 0.4375 0.3423 0.4517 0.0124 -0.0286 -0.0037 45 SER L C 1980 O O . SER B 37 ? 0.5179 0.4444 0.5304 0.0130 -0.0157 -0.0002 45 SER L O 1981 C CB . SER B 37 ? 0.2728 0.1466 0.2971 0.0190 -0.0402 -0.0001 45 SER L CB 1982 O OG . SER B 37 ? 0.8350 0.6806 0.8497 0.0298 -0.0485 -0.0087 45 SER L OG 1983 N N . LEU B 38 ? 0.3529 0.2518 0.3778 0.0039 -0.0393 -0.0011 46 LEU L N 1984 C CA . LEU B 38 ? 0.3073 0.2280 0.3446 -0.0030 -0.0336 0.0084 46 LEU L CA 1985 C C . LEU B 38 ? 0.3293 0.2644 0.3933 -0.0097 -0.0303 0.0266 46 LEU L C 1986 O O . LEU B 38 ? 0.4456 0.3704 0.5300 -0.0169 -0.0415 0.0345 46 LEU L O 1987 C CB . LEU B 38 ? 0.2965 0.2099 0.3359 -0.0073 -0.0469 0.0046 46 LEU L CB 1988 C CG . LEU B 38 ? 0.2736 0.2105 0.3298 -0.0120 -0.0421 0.0156 46 LEU L CG 1989 C CD1 . LEU B 38 ? 0.2045 0.1525 0.2410 -0.0049 -0.0269 0.0118 46 LEU L CD1 1990 C CD2 . LEU B 38 ? 0.2327 0.1645 0.2999 -0.0175 -0.0601 0.0148 46 LEU L CD2 1991 N N . ILE B 39 ? 0.1993 0.1568 0.2621 -0.0070 -0.0154 0.0337 47 ILE L N 1992 C CA . ILE B 39 ? 0.3596 0.3341 0.4412 -0.0095 -0.0086 0.0523 47 ILE L CA 1993 C C . ILE B 39 ? 0.3393 0.3358 0.4348 -0.0111 -0.0024 0.0625 47 ILE L C 1994 O O . ILE B 39 ? 0.2741 0.2850 0.3956 -0.0158 -0.0007 0.0810 47 ILE L O 1995 C CB . ILE B 39 ? 0.2964 0.2807 0.3629 -0.0018 0.0028 0.0536 47 ILE L CB 1996 C CG1 . ILE B 39 ? 0.2298 0.1975 0.2875 0.0021 -0.0027 0.0461 47 ILE L CG1 1997 C CG2 . ILE B 39 ? 0.4048 0.4072 0.4844 -0.0015 0.0111 0.0742 47 ILE L CG2 1998 C CD1 . ILE B 39 ? 0.3712 0.3199 0.4458 -0.0022 -0.0136 0.0541 47 ILE L CD1 1999 N N . ILE B 40 ? 0.3274 0.3269 0.4068 -0.0062 0.0018 0.0521 48 ILE L N 2000 C CA . ILE B 40 ? 0.2126 0.2313 0.3014 -0.0033 0.0085 0.0596 48 ILE L CA 2001 C C . ILE B 40 ? 0.1748 0.1848 0.2545 -0.0023 0.0020 0.0481 48 ILE L C 2002 O O . ILE B 40 ? 0.2667 0.2605 0.3220 -0.0001 0.0010 0.0340 48 ILE L O 2003 C CB . ILE B 40 ? 0.3202 0.3515 0.3914 0.0073 0.0244 0.0606 48 ILE L CB 2004 C CG1 . ILE B 40 ? 0.2517 0.2944 0.3273 0.0091 0.0316 0.0741 48 ILE L CG1 2005 C CG2 . ILE B 40 ? 0.1728 0.2206 0.2497 0.0148 0.0320 0.0661 48 ILE L CG2 2006 C CD1 . ILE B 40 ? 0.1807 0.2504 0.2770 0.0129 0.0423 0.0952 48 ILE L CD1 2007 N N . TYR B 41 ? 0.2842 0.3075 0.3851 -0.0034 -0.0020 0.0566 49 TYR L N 2008 C CA . TYR B 41 ? 0.2784 0.2961 0.3701 0.0001 -0.0076 0.0486 49 TYR L CA 2009 C C . TYR B 41 ? 0.2116 0.2537 0.3197 0.0078 0.0003 0.0600 49 TYR L C 2010 O O . TYR B 41 ? 0.1961 0.2630 0.3315 0.0076 0.0065 0.0763 49 TYR L O 2011 C CB . TYR B 41 ? 0.2282 0.2324 0.3271 -0.0080 -0.0283 0.0437 49 TYR L CB 2012 C CG . TYR B 41 ? 0.1929 0.2147 0.3328 -0.0167 -0.0402 0.0582 49 TYR L CG 2013 C CD1 . TYR B 41 ? 0.3542 0.3765 0.5189 -0.0277 -0.0460 0.0678 49 TYR L CD1 2014 C CD2 . TYR B 41 ? 0.2378 0.2765 0.3950 -0.0147 -0.0465 0.0641 49 TYR L CD2 2015 C CE1 . TYR B 41 ? 0.3161 0.3559 0.5249 -0.0390 -0.0581 0.0838 49 TYR L CE1 2016 C CE2 . TYR B 41 ? 0.3074 0.3678 0.5095 -0.0245 -0.0588 0.0794 49 TYR L CE2 2017 C CZ . TYR B 41 ? 0.3316 0.3927 0.5608 -0.0381 -0.0647 0.0896 49 TYR L CZ 2018 O OH . TYR B 41 ? 0.3607 0.4445 0.6407 -0.0511 -0.0780 0.1074 49 TYR L OH 2019 N N . ASN B 42 ? 0.2152 0.2509 0.3067 0.0162 0.0014 0.0531 50 ASN L N 2020 C CA . ASN B 42 ? 0.2224 0.2783 0.3259 0.0279 0.0094 0.0623 50 ASN L CA 2021 C C . ASN B 42 ? 0.2184 0.2893 0.3198 0.0374 0.0281 0.0690 50 ASN L C 2022 O O . ASN B 42 ? 0.2932 0.3942 0.4207 0.0435 0.0362 0.0849 50 ASN L O 2023 C CB . ASN B 42 ? 0.1813 0.2629 0.3264 0.0230 -0.0018 0.0768 50 ASN L CB 2024 C CG . ASN B 42 ? 0.2496 0.3565 0.4105 0.0379 0.0063 0.0873 50 ASN L CG 2025 O OD1 . ASN B 42 ? 0.2636 0.3577 0.3979 0.0521 0.0144 0.0795 50 ASN L OD1 2026 N ND2 . ASN B 42 ? 0.2034 0.3467 0.4101 0.0351 0.0041 0.1063 50 ASN L ND2 2027 N N . ASN B 43 ? 0.1961 0.2480 0.2664 0.0392 0.0347 0.0574 51 ASN L N 2028 C CA . ASN B 43 ? 0.1926 0.2518 0.2485 0.0511 0.0501 0.0591 51 ASN L CA 2029 C C . ASN B 43 ? 0.2546 0.3352 0.3272 0.0479 0.0563 0.0735 51 ASN L C 2030 O O . ASN B 43 ? 0.1920 0.2650 0.2448 0.0481 0.0600 0.0691 51 ASN L O 2031 C CB . ASN B 43 ? 0.2374 0.3083 0.2928 0.0698 0.0602 0.0631 51 ASN L CB 2032 C CG . ASN B 43 ? 0.2885 0.3331 0.3238 0.0747 0.0547 0.0501 51 ASN L CG 2033 O OD1 . ASN B 43 ? 0.3398 0.3551 0.3476 0.0701 0.0510 0.0357 51 ASN L OD1 2034 N ND2 . ASN B 43 ? 0.2206 0.2772 0.2725 0.0837 0.0538 0.0575 51 ASN L ND2 2035 N N . GLN B 44 ? 0.2268 0.3351 0.3377 0.0444 0.0565 0.0927 52 GLN L N 2036 C CA . GLN B 44 ? 0.2695 0.4017 0.4006 0.0423 0.0652 0.1124 52 GLN L CA 2037 C C . GLN B 44 ? 0.2580 0.3957 0.4288 0.0225 0.0512 0.1253 52 GLN L C 2038 O O . GLN B 44 ? 0.2025 0.3502 0.3891 0.0162 0.0549 0.1413 52 GLN L O 2039 C CB . GLN B 44 ? 0.2545 0.4214 0.3959 0.0603 0.0846 0.1293 52 GLN L CB 2040 C CG . GLN B 44 ? 0.4027 0.5593 0.4988 0.0825 0.0982 0.1158 52 GLN L CG 2041 C CD . GLN B 44 ? 0.3849 0.5758 0.4880 0.1051 0.1187 0.1316 52 GLN L CD 2042 O OE1 . GLN B 44 ? 0.4303 0.6392 0.5572 0.1120 0.1203 0.1382 52 GLN L OE1 2043 N NE2 . GLN B 44 ? 0.3860 0.5817 0.4643 0.1167 0.1306 0.1364 52 GLN L NE2 2044 N N . ASP B 45 ? 0.2863 0.4146 0.4714 0.0130 0.0338 0.1187 53 ASP L N 2045 C CA . ASP B 45 ? 0.3090 0.4386 0.5316 -0.0057 0.0161 0.1285 53 ASP L CA 2046 C C . ASP B 45 ? 0.2935 0.3918 0.5019 -0.0166 0.0058 0.1194 53 ASP L C 2047 O O . ASP B 45 ? 0.2200 0.2929 0.3906 -0.0117 0.0061 0.1001 53 ASP L O 2048 C CB . ASP B 45 ? 0.3543 0.4808 0.5903 -0.0106 -0.0026 0.1217 53 ASP L CB 2049 C CG . ASP B 45 ? 0.3477 0.5121 0.6124 -0.0013 0.0048 0.1368 53 ASP L CG 2050 O OD1 . ASP B 45 ? 0.2393 0.4374 0.5263 0.0048 0.0227 0.1575 53 ASP L OD1 2051 O OD2 . ASP B 45 ? 0.4583 0.6205 0.7227 0.0018 -0.0066 0.1291 53 ASP L OD2 2052 N N . ARG B 46 ? 0.3009 0.4016 0.5429 -0.0311 -0.0035 0.1347 54 ARG L N 2053 C CA . ARG B 46 ? 0.3480 0.4191 0.5795 -0.0388 -0.0119 0.1294 54 ARG L CA 2054 C C . ARG B 46 ? 0.3495 0.3962 0.6004 -0.0548 -0.0391 0.1240 54 ARG L C 2055 O O . ARG B 46 ? 0.2834 0.3449 0.5782 -0.0682 -0.0498 0.1410 54 ARG L O 2056 C CB . ARG B 46 ? 0.3811 0.4690 0.6291 -0.0399 0.0019 0.1538 54 ARG L CB 2057 C CG . ARG B 46 ? 0.5550 0.6207 0.7708 -0.0342 0.0064 0.1461 54 ARG L CG 2058 C CD . ARG B 46 ? 0.6340 0.7202 0.8599 -0.0314 0.0226 0.1722 54 ARG L CD 2059 N NE . ARG B 46 ? 0.6013 0.7204 0.8152 -0.0157 0.0449 0.1800 54 ARG L NE 2060 C CZ . ARG B 46 ? 0.5582 0.7135 0.8014 -0.0139 0.0576 0.2047 54 ARG L CZ 2061 N NH1 . ARG B 46 ? 0.4853 0.6461 0.7688 -0.0272 0.0457 0.2192 54 ARG L NH1 2062 N NH2 . ARG B 46 ? 0.5917 0.7706 0.8133 0.0058 0.0769 0.2059 54 ARG L NH2 2063 N N . PRO B 47 ? 0.3603 0.3699 0.5785 -0.0529 -0.0511 0.1003 55 PRO L N 2064 C CA . PRO B 47 ? 0.4621 0.4404 0.6883 -0.0645 -0.0784 0.0909 55 PRO L CA 2065 C C . PRO B 47 ? 0.5203 0.4869 0.7757 -0.0776 -0.0863 0.1072 55 PRO L C 2066 O O . PRO B 47 ? 0.5248 0.5040 0.7841 -0.0746 -0.0687 0.1231 55 PRO L O 2067 C CB . PRO B 47 ? 0.4450 0.3907 0.6224 -0.0529 -0.0808 0.0639 55 PRO L CB 2068 C CG . PRO B 47 ? 0.4040 0.3618 0.5601 -0.0412 -0.0566 0.0654 55 PRO L CG 2069 C CD . PRO B 47 ? 0.3451 0.3407 0.5179 -0.0391 -0.0401 0.0817 55 PRO L CD 2070 N N . SER B 48 ? 0.5348 0.4752 0.8090 -0.0917 -0.1139 0.1035 56 SER L N 2071 C CA . SER B 48 ? 0.5744 0.5031 0.8665 -0.0989 -0.1214 0.1148 56 SER L CA 2072 C C . SER B 48 ? 0.5051 0.4079 0.7704 -0.0902 -0.1125 0.1101 56 SER L C 2073 O O . SER B 48 ? 0.4926 0.3676 0.7210 -0.0795 -0.1137 0.0885 56 SER L O 2074 C CB . SER B 48 ? 0.6794 0.5791 0.9752 -0.1069 -0.1526 0.1015 56 SER L CB 2075 O OG . SER B 48 ? 0.7659 0.6239 1.0171 -0.0972 -0.1652 0.0712 56 SER L OG 2076 N N . GLY B 49 ? 0.5248 0.4382 0.8086 -0.0931 -0.1032 0.1315 57 GLY L N 2077 C CA . GLY B 49 ? 0.5402 0.4304 0.8024 -0.0846 -0.0966 0.1300 57 GLY L CA 2078 C C . GLY B 49 ? 0.5099 0.4242 0.7584 -0.0732 -0.0699 0.1418 57 GLY L C 2079 O O . GLY B 49 ? 0.5791 0.4903 0.8221 -0.0678 -0.0613 0.1528 57 GLY L O 2080 N N . ILE B 50 ? 0.3631 0.3021 0.6021 -0.0675 -0.0574 0.1380 58 ILE L N 2081 C CA . ILE B 50 ? 0.3797 0.3456 0.5948 -0.0524 -0.0329 0.1415 58 ILE L CA 2082 C C . ILE B 50 ? 0.3277 0.3303 0.5685 -0.0549 -0.0156 0.1736 58 ILE L C 2083 O O . ILE B 50 ? 0.4594 0.4907 0.7252 -0.0599 -0.0118 0.1845 58 ILE L O 2084 C CB . ILE B 50 ? 0.3304 0.3095 0.5176 -0.0418 -0.0254 0.1205 58 ILE L CB 2085 C CG1 . ILE B 50 ? 0.3288 0.2784 0.4823 -0.0339 -0.0338 0.0927 58 ILE L CG1 2086 C CG2 . ILE B 50 ? 0.2610 0.2701 0.4313 -0.0294 -0.0027 0.1275 58 ILE L CG2 2087 C CD1 . ILE B 50 ? 0.4939 0.4073 0.6525 -0.0411 -0.0569 0.0814 58 ILE L CD1 2088 N N . PRO B 51 ? 0.3016 0.3064 0.5328 -0.0480 -0.0047 0.1878 59 PRO L N 2089 C CA . PRO B 51 ? 0.3457 0.3858 0.5886 -0.0440 0.0120 0.2121 59 PRO L CA 2090 C C . PRO B 51 ? 0.3967 0.4743 0.6263 -0.0312 0.0329 0.2155 59 PRO L C 2091 O O . PRO B 51 ? 0.4503 0.5248 0.6511 -0.0225 0.0367 0.1970 59 PRO L O 2092 C CB . PRO B 51 ? 0.3259 0.3526 0.5474 -0.0354 0.0161 0.2178 59 PRO L CB 2093 C CG . PRO B 51 ? 0.3087 0.3069 0.4998 -0.0283 0.0092 0.1957 59 PRO L CG 2094 C CD . PRO B 51 ? 0.2749 0.2515 0.4762 -0.0384 -0.0087 0.1746 59 PRO L CD 2095 N N . GLU B 52 ? 0.3742 0.4855 0.6214 -0.0274 0.0451 0.2354 60 GLU L N 2096 C CA . GLU B 52 ? 0.3781 0.5228 0.6111 -0.0115 0.0644 0.2375 60 GLU L CA 2097 C C . GLU B 52 ? 0.4561 0.6026 0.6418 0.0075 0.0787 0.2316 60 GLU L C 2098 O O . GLU B 52 ? 0.4138 0.5809 0.5775 0.0240 0.0932 0.2288 60 GLU L O 2099 C CB . GLU B 52 ? 0.3158 0.4940 0.5805 -0.0101 0.0726 0.2617 60 GLU L CB 2100 C CG . GLU B 52 ? 0.3052 0.4858 0.6172 -0.0280 0.0566 0.2681 60 GLU L CG 2101 C CD . GLU B 52 ? 0.3163 0.5304 0.6633 -0.0278 0.0641 0.2962 60 GLU L CD 2102 O OE1 . GLU B 52 ? 0.3301 0.5616 0.6660 -0.0152 0.0808 0.3119 60 GLU L OE1 2103 O OE2 . GLU B 52 ? 0.3151 0.5387 0.7004 -0.0397 0.0528 0.3033 60 GLU L OE2 2104 N N . ARG B 53 ? 0.5243 0.6470 0.6925 0.0064 0.0724 0.2286 61 ARG L N 2115 N N . PHE B 54 ? 0.4940 0.5603 0.6266 -0.0532 0.0509 0.1489 62 PHE L N 2116 C CA . PHE B 54 ? 0.2356 0.2977 0.3561 -0.0502 0.0482 0.1290 62 PHE L CA 2117 C C . PHE B 54 ? 0.3862 0.4676 0.5259 -0.0483 0.0553 0.1367 62 PHE L C 2118 O O . PHE B 54 ? 0.3910 0.4813 0.5618 -0.0580 0.0515 0.1523 62 PHE L O 2119 C CB . PHE B 54 ? 0.3736 0.4144 0.4920 -0.0608 0.0309 0.1165 62 PHE L CB 2120 C CG . PHE B 54 ? 0.3813 0.4031 0.4787 -0.0599 0.0242 0.1072 62 PHE L CG 2121 C CD1 . PHE B 54 ? 0.3479 0.3601 0.4495 -0.0654 0.0174 0.1179 62 PHE L CD1 2122 C CD2 . PHE B 54 ? 0.4356 0.4500 0.5119 -0.0535 0.0239 0.0891 62 PHE L CD2 2123 C CE1 . PHE B 54 ? 0.3336 0.3277 0.4144 -0.0628 0.0108 0.1088 62 PHE L CE1 2124 C CE2 . PHE B 54 ? 0.4314 0.4315 0.4915 -0.0512 0.0185 0.0818 62 PHE L CE2 2125 C CZ . PHE B 54 ? 0.3329 0.3222 0.3931 -0.0550 0.0122 0.0907 62 PHE L CZ 2126 N N . SER B 55 ? 0.2965 0.3833 0.4192 -0.0354 0.0636 0.1262 63 SER L N 2127 C CA . SER B 55 ? 0.3531 0.4563 0.4897 -0.0310 0.0699 0.1310 63 SER L CA 2128 C C . SER B 55 ? 0.3636 0.4572 0.4801 -0.0253 0.0661 0.1100 63 SER L C 2129 O O . SER B 55 ? 0.3244 0.4051 0.4154 -0.0188 0.0640 0.0956 63 SER L O 2130 C CB . SER B 55 ? 0.3936 0.5192 0.5329 -0.0153 0.0887 0.1491 63 SER L CB 2131 O OG . SER B 55 ? 0.5188 0.6367 0.6211 0.0032 0.0958 0.1388 63 SER L OG 2132 N N . GLY B 56 ? 0.4036 0.5029 0.5344 -0.0284 0.0636 0.1094 64 GLY L N 2133 C CA . GLY B 56 ? 0.3130 0.4026 0.4282 -0.0245 0.0590 0.0920 64 GLY L CA 2134 C C . GLY B 56 ? 0.3787 0.4801 0.4876 -0.0082 0.0684 0.0936 64 GLY L C 2135 O O . GLY B 56 ? 0.4297 0.5509 0.5508 0.0002 0.0805 0.1103 64 GLY L O 2136 N N . SER B 57 ? 0.3932 0.4822 0.4837 -0.0027 0.0628 0.0774 65 SER L N 2137 C CA . SER B 57 ? 0.3036 0.3969 0.3813 0.0151 0.0682 0.0756 65 SER L CA 2138 C C . SER B 57 ? 0.3379 0.4406 0.4360 0.0108 0.0670 0.0791 65 SER L C 2139 O O . SER B 57 ? 0.4159 0.5110 0.5266 -0.0050 0.0570 0.0744 65 SER L O 2140 C CB . SER B 57 ? 0.3228 0.3939 0.3715 0.0226 0.0581 0.0567 65 SER L CB 2141 O OG . SER B 57 ? 0.4949 0.5539 0.5508 0.0072 0.0461 0.0463 65 SER L OG 2142 N N . PRO B 58 ? 0.4175 0.5361 0.5169 0.0273 0.0775 0.0878 66 PRO L N 2143 C CA . PRO B 58 ? 0.2290 0.3571 0.3468 0.0264 0.0760 0.0906 66 PRO L CA 2144 C C . PRO B 58 ? 0.2851 0.3905 0.3817 0.0275 0.0635 0.0707 66 PRO L C 2145 O O . PRO B 58 ? 0.3939 0.4807 0.4615 0.0354 0.0585 0.0577 66 PRO L O 2146 C CB . PRO B 58 ? 0.2468 0.3980 0.3650 0.0496 0.0932 0.1053 66 PRO L CB 2147 C CG . PRO B 58 ? 0.3966 0.5366 0.4773 0.0681 0.0991 0.1001 66 PRO L CG 2148 C CD . PRO B 58 ? 0.3710 0.4990 0.4517 0.0508 0.0921 0.0961 66 PRO L CD 2149 N N . ASP B 59 A 0.3594 0.4648 0.4715 0.0193 0.0567 0.0690 66 ASP L N 2150 C CA . ASP B 59 A 0.3945 0.4783 0.4887 0.0195 0.0450 0.0526 66 ASP L CA 2151 C C . ASP B 59 A 0.4225 0.5064 0.4988 0.0420 0.0477 0.0492 66 ASP L C 2152 O O . ASP B 59 A 0.4469 0.5192 0.5177 0.0428 0.0388 0.0405 66 ASP L O 2153 C CB . ASP B 59 A 0.3940 0.4726 0.5062 0.0027 0.0355 0.0513 66 ASP L CB 2154 C CG . ASP B 59 A 0.4795 0.5771 0.6162 0.0058 0.0385 0.0624 66 ASP L CG 2155 O OD1 . ASP B 59 A 0.5866 0.7088 0.7401 0.0139 0.0503 0.0777 66 ASP L OD1 2156 O OD2 . ASP B 59 A 0.4112 0.4999 0.5520 0.0005 0.0293 0.0574 66 ASP L OD2 2157 N N . SER B 60 B 0.4508 0.5460 0.5148 0.0622 0.0601 0.0564 66 SER L N 2158 C CA . SER B 60 B 0.3768 0.4682 0.4145 0.0896 0.0631 0.0525 66 SER L CA 2159 C C . SER B 60 B 0.3988 0.4778 0.4002 0.1098 0.0662 0.0483 66 SER L C 2160 O O . SER B 60 B 0.4354 0.5233 0.4410 0.1065 0.0745 0.0568 66 SER L O 2161 C CB . SER B 60 B 0.3601 0.4838 0.4206 0.1023 0.0791 0.0707 66 SER L CB 2162 O OG . SER B 60 B 0.6075 0.7574 0.6836 0.1069 0.0970 0.0906 66 SER L OG 2163 N N . PRO B 61 C 0.4608 0.5154 0.4239 0.1317 0.0570 0.0347 66 PRO L N 2164 C CA . PRO B 61 C 0.4568 0.4981 0.4142 0.1350 0.0453 0.0246 66 PRO L CA 2165 C C . PRO B 61 C 0.4437 0.4594 0.4051 0.1105 0.0239 0.0101 66 PRO L C 2166 O O . PRO B 61 C 0.4058 0.4146 0.3718 0.0947 0.0189 0.0075 66 PRO L O 2167 C CB . PRO B 61 C 0.4788 0.4976 0.3873 0.1702 0.0412 0.0153 66 PRO L CB 2168 C CG . PRO B 61 C 0.5058 0.5081 0.3906 0.1744 0.0372 0.0106 66 PRO L CG 2169 C CD . PRO B 61 C 0.4046 0.4381 0.3236 0.1564 0.0546 0.0274 66 PRO L CD 2170 N N . PHE B 62 ? 0.4910 0.4940 0.4518 0.1083 0.0125 0.0024 67 PHE L N 2171 C CA . PHE B 62 ? 0.5453 0.5235 0.5087 0.0881 -0.0068 -0.0088 67 PHE L CA 2172 C C . PHE B 62 ? 0.5740 0.5236 0.5115 0.0933 -0.0225 -0.0199 67 PHE L C 2173 O O . PHE B 62 ? 0.5741 0.5066 0.4774 0.1189 -0.0282 -0.0267 67 PHE L O 2174 C CB . PHE B 62 ? 0.4646 0.4290 0.4234 0.0909 -0.0177 -0.0153 67 PHE L CB 2175 C CG . PHE B 62 ? 0.4588 0.4476 0.4456 0.0831 -0.0070 -0.0055 67 PHE L CG 2176 C CD1 . PHE B 62 ? 0.2988 0.3033 0.3162 0.0595 -0.0011 0.0027 67 PHE L CD1 2177 C CD2 . PHE B 62 ? 0.4440 0.4378 0.4253 0.1010 -0.0048 -0.0049 67 PHE L CD2 2178 C CE1 . PHE B 62 ? 0.2970 0.3191 0.3393 0.0528 0.0040 0.0110 67 PHE L CE1 2179 C CE2 . PHE B 62 ? 0.3677 0.3836 0.3781 0.0935 0.0022 0.0045 67 PHE L CE2 2180 C CZ . PHE B 62 ? 0.2957 0.3245 0.3368 0.0688 0.0053 0.0122 67 PHE L CZ 2181 N N . GLY B 63 ? 0.5008 0.4443 0.4542 0.0706 -0.0302 -0.0213 68 GLY L N 2182 C CA . GLY B 63 ? 0.4027 0.3212 0.3406 0.0721 -0.0475 -0.0302 68 GLY L CA 2183 C C . GLY B 63 ? 0.5107 0.4414 0.4517 0.0701 -0.0383 -0.0254 68 GLY L C 2184 O O . GLY B 63 ? 0.5526 0.4649 0.4841 0.0704 -0.0525 -0.0317 68 GLY L O 2185 N N . THR B 64 ? 0.4427 0.4030 0.3987 0.0676 -0.0165 -0.0136 69 THR L N 2186 C CA . THR B 64 ? 0.4724 0.4445 0.4323 0.0647 -0.0070 -0.0076 69 THR L CA 2187 C C . THR B 64 ? 0.4006 0.3724 0.3839 0.0399 -0.0127 -0.0076 69 THR L C 2188 O O . THR B 64 ? 0.3858 0.3567 0.3873 0.0237 -0.0172 -0.0077 69 THR L O 2189 C CB . THR B 64 ? 0.4142 0.4175 0.3893 0.0662 0.0157 0.0076 69 THR L CB 2190 O OG1 . THR B 64 ? 0.4878 0.5045 0.4885 0.0527 0.0195 0.0129 69 THR L OG1 2191 C CG2 . THR B 64 ? 0.6528 0.6613 0.6032 0.0955 0.0265 0.0120 69 THR L CG2 2192 N N . THR B 65 ? 0.3262 0.2988 0.3069 0.0394 -0.0117 -0.0067 70 THR L N 2193 C CA . THR B 65 ? 0.3419 0.3191 0.3448 0.0192 -0.0131 -0.0045 70 THR L CA 2194 C C . THR B 65 ? 0.4100 0.4086 0.4244 0.0138 0.0041 0.0061 70 THR L C 2195 O O . THR B 65 ? 0.4549 0.4602 0.4571 0.0263 0.0130 0.0107 70 THR L O 2196 C CB . THR B 65 ? 0.4693 0.4295 0.4643 0.0212 -0.0284 -0.0116 70 THR L CB 2197 O OG1 . THR B 65 ? 0.5249 0.4630 0.5174 0.0211 -0.0488 -0.0198 70 THR L OG1 2198 C CG2 . THR B 65 ? 0.4522 0.4228 0.4708 0.0038 -0.0255 -0.0068 70 THR L CG2 2199 N N . ALA B 66 ? 0.4191 0.4263 0.4551 -0.0036 0.0079 0.0109 71 ALA L N 2200 C CA . ALA B 66 ? 0.2743 0.2963 0.3214 -0.0101 0.0193 0.0203 71 ALA L CA 2201 C C . ALA B 66 ? 0.4535 0.4752 0.4931 -0.0065 0.0205 0.0209 71 ALA L C 2202 O O . ALA B 66 ? 0.5368 0.5505 0.5772 -0.0111 0.0128 0.0158 71 ALA L O 2203 C CB . ALA B 66 ? 0.2322 0.2548 0.2954 -0.0258 0.0188 0.0224 71 ALA L CB 2204 N N . THR B 67 ? 0.4537 0.4852 0.4880 0.0020 0.0305 0.0290 72 THR L N 2205 C CA . THR B 67 ? 0.4658 0.4958 0.4900 0.0069 0.0323 0.0306 72 THR L CA 2206 C C . THR B 67 ? 0.4437 0.4865 0.4817 -0.0010 0.0419 0.0432 72 THR L C 2207 O O . THR B 67 ? 0.4185 0.4749 0.4679 -0.0006 0.0505 0.0547 72 THR L O 2208 C CB . THR B 67 ? 0.4468 0.4711 0.4441 0.0290 0.0343 0.0293 72 THR L CB 2209 O OG1 . THR B 67 ? 0.3995 0.4053 0.3814 0.0368 0.0201 0.0162 72 THR L OG1 2210 C CG2 . THR B 67 ? 0.4312 0.4511 0.4153 0.0346 0.0353 0.0308 72 THR L CG2 2211 N N . LEU B 68 ? 0.3671 0.4051 0.4063 -0.0080 0.0386 0.0419 73 LEU L N 2212 C CA . LEU B 68 ? 0.2908 0.3350 0.3396 -0.0148 0.0437 0.0529 73 LEU L CA 2213 C C . LEU B 68 ? 0.2350 0.2785 0.2686 -0.0042 0.0484 0.0572 73 LEU L C 2214 O O . LEU B 68 ? 0.2573 0.2899 0.2764 0.0006 0.0421 0.0481 73 LEU L O 2215 C CB . LEU B 68 ? 0.2082 0.2447 0.2644 -0.0274 0.0368 0.0487 73 LEU L CB 2216 C CG . LEU B 68 ? 0.2446 0.2796 0.3049 -0.0332 0.0371 0.0569 73 LEU L CG 2217 C CD1 . LEU B 68 ? 0.2076 0.2496 0.2850 -0.0397 0.0389 0.0699 73 LEU L CD1 2218 C CD2 . LEU B 68 ? 0.2419 0.2659 0.3007 -0.0392 0.0301 0.0501 73 LEU L CD2 2219 N N . THR B 69 ? 0.2416 0.2971 0.2802 -0.0003 0.0591 0.0726 74 THR L N 2220 C CA . THR B 69 ? 0.3796 0.4347 0.4022 0.0113 0.0660 0.0799 74 THR L CA 2221 C C . THR B 69 ? 0.4180 0.4755 0.4551 -0.0002 0.0670 0.0923 74 THR L C 2222 O O . THR B 69 ? 0.4199 0.4877 0.4820 -0.0110 0.0689 0.1055 74 THR L O 2223 C CB . THR B 69 ? 0.3888 0.4560 0.4024 0.0295 0.0804 0.0917 74 THR L CB 2224 O OG1 . THR B 69 ? 0.3572 0.4190 0.3564 0.0407 0.0770 0.0797 74 THR L OG1 2225 C CG2 . THR B 69 ? 0.5020 0.5636 0.4892 0.0462 0.0872 0.0970 74 THR L CG2 2226 N N . ILE B 70 ? 0.4588 0.5044 0.4803 0.0021 0.0629 0.0879 75 ILE L N 2227 C CA . ILE B 70 ? 0.2660 0.3094 0.2959 -0.0067 0.0620 0.0988 75 ILE L CA 2228 C C . ILE B 70 ? 0.2890 0.3318 0.2996 0.0074 0.0710 0.1081 75 ILE L C 2229 O O . ILE B 70 ? 0.4032 0.4330 0.3879 0.0185 0.0669 0.0963 75 ILE L O 2230 C CB . ILE B 70 ? 0.2785 0.3064 0.3054 -0.0155 0.0487 0.0854 75 ILE L CB 2231 C CG1 . ILE B 70 ? 0.3095 0.3360 0.3463 -0.0234 0.0419 0.0740 75 ILE L CG1 2232 C CG2 . ILE B 70 ? 0.2618 0.2835 0.2977 -0.0254 0.0445 0.0961 75 ILE L CG2 2233 C CD1 . ILE B 70 ? 0.2359 0.2505 0.2680 -0.0271 0.0324 0.0620 75 ILE L CD1 2234 N N . THR B 71 ? 0.4035 0.4600 0.4279 0.0075 0.0826 0.1308 76 THR L N 2235 C CA . THR B 71 ? 0.4338 0.4914 0.4391 0.0231 0.0948 0.1439 76 THR L CA 2236 C C . THR B 71 ? 0.5817 0.6275 0.5864 0.0149 0.0888 0.1497 76 THR L C 2237 O O . THR B 71 ? 0.3163 0.3574 0.3426 -0.0037 0.0775 0.1507 76 THR L O 2238 C CB . THR B 71 ? 0.4443 0.5265 0.4667 0.0301 0.1141 0.1704 76 THR L CB 2239 O OG1 . THR B 71 ? 0.4057 0.4999 0.4711 0.0089 0.1111 0.1880 76 THR L OG1 2240 C CG2 . THR B 71 ? 0.4303 0.5224 0.4480 0.0423 0.1203 0.1640 76 THR L CG2 2241 N N . SER B 72 ? 0.6980 0.7355 0.6742 0.0306 0.0949 0.1529 77 SER L N 2242 C CA . SER B 72 ? 0.7515 0.7765 0.7236 0.0252 0.0898 0.1594 77 SER L CA 2243 C C . SER B 72 ? 0.6403 0.6491 0.6182 0.0096 0.0700 0.1417 77 SER L C 2244 O O . SER B 72 ? 0.6534 0.6576 0.6498 -0.0054 0.0625 0.1505 77 SER L O 2245 C CB . SER B 72 ? 0.7979 0.8377 0.7989 0.0162 0.0999 0.1907 77 SER L CB 2246 O OG . SER B 72 ? 0.9172 0.9768 0.9158 0.0329 0.1219 0.2105 77 SER L OG 2247 N N . VAL B 73 ? 0.4683 0.4677 0.4303 0.0146 0.0609 0.1180 78 VAL L N 2248 C CA . VAL B 73 ? 0.4117 0.4008 0.3805 0.0032 0.0455 0.1021 78 VAL L CA 2249 C C . VAL B 73 ? 0.4409 0.4151 0.4056 -0.0019 0.0372 0.1050 78 VAL L C 2250 O O . VAL B 73 ? 0.3760 0.3433 0.3240 0.0064 0.0405 0.1125 78 VAL L O 2251 C CB . VAL B 73 ? 0.4470 0.4303 0.4014 0.0116 0.0381 0.0805 78 VAL L CB 2252 C CG1 . VAL B 73 ? 0.4620 0.4368 0.4223 0.0038 0.0256 0.0682 78 VAL L CG1 2253 C CG2 . VAL B 73 ? 0.4157 0.4098 0.3780 0.0126 0.0414 0.0752 78 VAL L CG2 2254 N N . GLU B 74 ? 0.3534 0.3201 0.3297 -0.0135 0.0259 0.0989 79 GLU L N 2255 C CA . GLU B 74 ? 0.4053 0.3540 0.3746 -0.0166 0.0151 0.0986 79 GLU L CA 2256 C C . GLU B 74 ? 0.4152 0.3557 0.3811 -0.0165 0.0047 0.0804 79 GLU L C 2257 O O . GLU B 74 ? 0.4552 0.4047 0.4293 -0.0175 0.0060 0.0714 79 GLU L O 2258 C CB . GLU B 74 ? 0.4759 0.4189 0.4623 -0.0295 0.0105 0.1167 79 GLU L CB 2259 C CG . GLU B 74 ? 0.5136 0.4592 0.5211 -0.0409 0.0048 0.1168 79 GLU L CG 2260 C CD . GLU B 74 ? 0.5449 0.4817 0.5725 -0.0544 -0.0050 0.1355 79 GLU L CD 2261 O OE1 . GLU B 74 ? 0.5881 0.5058 0.6172 -0.0611 -0.0218 0.1298 79 GLU L OE1 2262 O OE2 . GLU B 74 ? 0.4043 0.3519 0.4462 -0.0573 0.0033 0.1569 79 GLU L OE2 2263 N N . ALA B 75 ? 0.4838 0.4078 0.4376 -0.0140 -0.0047 0.0764 80 ALA L N 2264 C CA . ALA B 75 ? 0.3999 0.3184 0.3487 -0.0093 -0.0119 0.0612 80 ALA L CA 2265 C C . ALA B 75 ? 0.3632 0.2830 0.3224 -0.0146 -0.0139 0.0573 80 ALA L C 2266 O O . ALA B 75 ? 0.4081 0.3368 0.3707 -0.0101 -0.0115 0.0471 80 ALA L O 2267 C CB . ALA B 75 ? 0.4667 0.3647 0.3998 -0.0051 -0.0223 0.0602 80 ALA L CB 2268 N N . GLY B 76 ? 0.3748 0.2848 0.3400 -0.0239 -0.0193 0.0666 81 GLY L N 2269 C CA . GLY B 76 ? 0.4154 0.3203 0.3852 -0.0275 -0.0241 0.0629 81 GLY L CA 2270 C C . GLY B 76 ? 0.4428 0.3682 0.4252 -0.0285 -0.0138 0.0585 81 GLY L C 2271 O O . GLY B 76 ? 0.4505 0.3730 0.4320 -0.0271 -0.0154 0.0523 81 GLY L O 2272 N N . ASP B 77 ? 0.4555 0.3990 0.4463 -0.0291 -0.0037 0.0621 82 ASP L N 2273 C CA . ASP B 77 ? 0.5087 0.4690 0.5103 -0.0298 0.0041 0.0582 82 ASP L CA 2274 C C . ASP B 77 ? 0.4771 0.4452 0.4765 -0.0222 0.0064 0.0462 82 ASP L C 2275 O O . ASP B 77 ? 0.5431 0.5233 0.5508 -0.0222 0.0110 0.0428 82 ASP L O 2276 C CB . ASP B 77 ? 0.2694 0.2433 0.2753 -0.0287 0.0131 0.0655 82 ASP L CB 2277 C CG . ASP B 77 ? 0.4050 0.3788 0.4198 -0.0352 0.0145 0.0827 82 ASP L CG 2278 O OD1 . ASP B 77 ? 0.4200 0.3843 0.4443 -0.0443 0.0060 0.0882 82 ASP L OD1 2279 O OD2 . ASP B 77 ? 0.4462 0.4286 0.4588 -0.0302 0.0235 0.0919 82 ASP L OD2 2280 N N . GLU B 78 ? 0.4113 0.3723 0.4019 -0.0158 0.0020 0.0411 83 GLU L N 2281 C CA . GLU B 78 ? 0.3845 0.3549 0.3807 -0.0094 0.0028 0.0327 83 GLU L CA 2282 C C . GLU B 78 ? 0.3853 0.3592 0.3879 -0.0080 0.0052 0.0300 83 GLU L C 2283 O O . GLU B 78 ? 0.4846 0.4489 0.4774 -0.0018 0.0031 0.0291 83 GLU L O 2284 C CB . GLU B 78 ? 0.3159 0.2800 0.3030 -0.0012 -0.0022 0.0296 83 GLU L CB 2285 C CG . GLU B 78 ? 0.3685 0.3456 0.3686 0.0052 -0.0025 0.0238 83 GLU L CG 2286 C CD . GLU B 78 ? 0.4989 0.4716 0.4925 0.0134 -0.0089 0.0208 83 GLU L CD 2287 O OE1 . GLU B 78 ? 0.5078 0.4792 0.4981 0.0150 -0.0132 0.0189 83 GLU L OE1 2288 O OE2 . GLU B 78 ? 0.6194 0.5879 0.6082 0.0204 -0.0100 0.0200 83 GLU L OE2 2289 N N . ALA B 79 ? 0.3532 0.3393 0.3695 -0.0119 0.0099 0.0294 84 ALA L N 2290 C CA . ALA B 79 ? 0.3140 0.3028 0.3348 -0.0109 0.0142 0.0296 84 ALA L CA 2291 C C . ALA B 79 ? 0.3299 0.3342 0.3696 -0.0152 0.0182 0.0294 84 ALA L C 2292 O O . ALA B 79 ? 0.2630 0.2729 0.3096 -0.0182 0.0156 0.0276 84 ALA L O 2293 C CB . ALA B 79 ? 0.2498 0.2223 0.2576 -0.0139 0.0116 0.0320 84 ALA L CB 2294 N N . ASP B 80 ? 0.2669 0.2750 0.3118 -0.0140 0.0237 0.0314 85 ASP L N 2295 C CA . ASP B 80 ? 0.2662 0.2859 0.3285 -0.0193 0.0265 0.0326 85 ASP L CA 2296 C C . ASP B 80 ? 0.3148 0.3266 0.3697 -0.0258 0.0260 0.0323 85 ASP L C 2297 O O . ASP B 80 ? 0.3879 0.3865 0.4281 -0.0251 0.0252 0.0332 85 ASP L O 2298 C CB . ASP B 80 ? 0.4122 0.4412 0.4850 -0.0143 0.0345 0.0380 85 ASP L CB 2299 C CG . ASP B 80 ? 0.5645 0.6079 0.6543 -0.0080 0.0360 0.0414 85 ASP L CG 2300 O OD1 . ASP B 80 ? 0.5033 0.5494 0.6003 -0.0098 0.0279 0.0377 85 ASP L OD1 2301 O OD2 . ASP B 80 ? 0.6607 0.7130 0.7567 0.0001 0.0454 0.0487 85 ASP L OD2 2302 N N . TYR B 81 ? 0.3433 0.3615 0.4083 -0.0311 0.0245 0.0309 86 TYR L N 2303 C CA . TYR B 81 ? 0.3072 0.3209 0.3681 -0.0360 0.0245 0.0314 86 TYR L CA 2304 C C . TYR B 81 ? 0.2757 0.2940 0.3468 -0.0392 0.0263 0.0315 86 TYR L C 2305 O O . TYR B 81 ? 0.2865 0.3114 0.3695 -0.0403 0.0233 0.0299 86 TYR L O 2306 C CB . TYR B 81 ? 0.2382 0.2527 0.2957 -0.0364 0.0221 0.0308 86 TYR L CB 2307 C CG . TYR B 81 ? 0.2966 0.3047 0.3439 -0.0353 0.0213 0.0342 86 TYR L CG 2308 C CD1 . TYR B 81 ? 0.2105 0.2128 0.2559 -0.0396 0.0207 0.0400 86 TYR L CD1 2309 C CD2 . TYR B 81 ? 0.3075 0.3143 0.3496 -0.0305 0.0192 0.0327 86 TYR L CD2 2310 C CE1 . TYR B 81 ? 0.2821 0.2774 0.3221 -0.0402 0.0179 0.0454 86 TYR L CE1 2311 C CE2 . TYR B 81 ? 0.2853 0.2844 0.3177 -0.0298 0.0178 0.0369 86 TYR L CE2 2312 C CZ . TYR B 81 ? 0.2947 0.2881 0.3270 -0.0352 0.0171 0.0439 86 TYR L CZ 2313 O OH . TYR B 81 ? 0.3159 0.3006 0.3424 -0.0362 0.0138 0.0503 86 TYR L OH 2314 N N . TYR B 82 ? 0.2941 0.3056 0.3592 -0.0402 0.0287 0.0335 87 TYR L N 2315 C CA . TYR B 82 ? 0.1929 0.2061 0.2646 -0.0428 0.0307 0.0346 87 TYR L CA 2316 C C . TYR B 82 ? 0.1916 0.1995 0.2594 -0.0467 0.0277 0.0333 87 TYR L C 2317 O O . TYR B 82 ? 0.2155 0.2175 0.2764 -0.0475 0.0250 0.0342 87 TYR L O 2318 C CB . TYR B 82 ? 0.2975 0.3056 0.3623 -0.0377 0.0367 0.0387 87 TYR L CB 2319 C CG . TYR B 82 ? 0.5863 0.6047 0.6602 -0.0319 0.0428 0.0433 87 TYR L CG 2320 C CD1 . TYR B 82 ? 0.7219 0.7544 0.8188 -0.0344 0.0461 0.0491 87 TYR L CD1 2321 C CD2 . TYR B 82 ? 0.7814 0.7957 0.8436 -0.0239 0.0442 0.0433 87 TYR L CD2 2322 C CE1 . TYR B 82 ? 0.7758 0.8221 0.8887 -0.0295 0.0520 0.0566 87 TYR L CE1 2323 C CE2 . TYR B 82 ? 0.8734 0.9002 0.9465 -0.0170 0.0507 0.0488 87 TYR L CE2 2324 C CZ . TYR B 82 ? 0.8164 0.8612 0.9172 -0.0200 0.0553 0.0563 87 TYR L CZ 2325 O OH . TYR B 82 ? 0.8313 0.8928 0.9504 -0.0135 0.0621 0.0649 87 TYR L OH 2326 N N . CYS B 83 ? 0.2627 0.2733 0.3377 -0.0494 0.0273 0.0325 88 CYS L N 2327 C CA . CYS B 83 ? 0.2876 0.2945 0.3604 -0.0518 0.0249 0.0319 88 CYS L CA 2328 C C . CYS B 83 ? 0.3580 0.3583 0.4290 -0.0526 0.0260 0.0330 88 CYS L C 2329 O O . CYS B 83 ? 0.3247 0.3277 0.4017 -0.0525 0.0290 0.0352 88 CYS L O 2330 C CB . CYS B 83 ? 0.2473 0.2609 0.3251 -0.0510 0.0225 0.0291 88 CYS L CB 2331 S SG . CYS B 83 ? 0.5219 0.5351 0.6079 -0.0519 0.0181 0.0260 88 CYS L SG 2332 N N . HIS B 84 ? 0.4113 0.4028 0.4757 -0.0535 0.0229 0.0331 89 HIS L N 2333 C CA . HIS B 84 ? 0.2034 0.1855 0.2622 -0.0530 0.0229 0.0337 89 HIS L CA 2334 C C . HIS B 84 ? 0.2522 0.2357 0.3168 -0.0559 0.0181 0.0316 89 HIS L C 2335 O O . HIS B 84 ? 0.2287 0.2102 0.2944 -0.0569 0.0132 0.0322 89 HIS L O 2336 C CB . HIS B 84 ? 0.2201 0.1843 0.2605 -0.0484 0.0205 0.0348 89 HIS L CB 2337 C CG . HIS B 84 ? 0.3477 0.2996 0.3756 -0.0441 0.0228 0.0364 89 HIS L CG 2338 N ND1 . HIS B 84 ? 0.3480 0.2774 0.3545 -0.0383 0.0163 0.0354 89 HIS L ND1 2339 C CD2 . HIS B 84 ? 0.3487 0.3056 0.3819 -0.0441 0.0297 0.0400 89 HIS L CD2 2340 C CE1 . HIS B 84 ? 0.4020 0.3232 0.3974 -0.0333 0.0213 0.0380 89 HIS L CE1 2341 N NE2 . HIS B 84 ? 0.3383 0.2774 0.3518 -0.0376 0.0302 0.0419 89 HIS L NE2 2342 N N . ILE B 85 ? 0.2275 0.2146 0.2981 -0.0568 0.0184 0.0302 90 ILE L N 2343 C CA . ILE B 85 ? 0.2256 0.2148 0.3001 -0.0567 0.0140 0.0274 90 ILE L CA 2344 C C . ILE B 85 ? 0.2957 0.2736 0.3648 -0.0572 0.0108 0.0273 90 ILE L C 2345 O O . ILE B 85 ? 0.2858 0.2552 0.3498 -0.0577 0.0126 0.0293 90 ILE L O 2346 C CB . ILE B 85 ? 0.3299 0.3233 0.4096 -0.0554 0.0116 0.0241 90 ILE L CB 2347 C CG1 . ILE B 85 ? 0.3684 0.3701 0.4498 -0.0527 0.0127 0.0231 90 ILE L CG1 2348 C CG2 . ILE B 85 ? 0.3914 0.3838 0.4696 -0.0516 0.0070 0.0206 90 ILE L CG2 2349 C CD1 . ILE B 85 ? 0.4086 0.4084 0.4906 -0.0492 0.0059 0.0185 90 ILE L CD1 2350 N N . TRP B 86 ? 0.2748 0.2536 0.3465 -0.0564 0.0064 0.0268 91 TRP L N 2351 C CA . TRP B 86 ? 0.2901 0.2581 0.3576 -0.0560 0.0012 0.0257 91 TRP L CA 2352 C C . TRP B 86 ? 0.2422 0.2182 0.3169 -0.0530 -0.0011 0.0231 91 TRP L C 2353 O O . TRP B 86 ? 0.3483 0.3378 0.4329 -0.0500 -0.0004 0.0249 91 TRP L O 2354 C CB . TRP B 86 ? 0.3001 0.2594 0.3657 -0.0567 -0.0055 0.0278 91 TRP L CB 2355 C CG . TRP B 86 ? 0.3315 0.2746 0.3805 -0.0553 -0.0057 0.0287 91 TRP L CG 2356 C CD1 . TRP B 86 ? 0.3016 0.2473 0.3481 -0.0549 -0.0016 0.0302 91 TRP L CD1 2357 C CD2 . TRP B 86 ? 0.2507 0.1703 0.2787 -0.0509 -0.0102 0.0280 91 TRP L CD2 2358 N NE1 . TRP B 86 ? 0.2958 0.2214 0.3205 -0.0495 -0.0029 0.0304 91 TRP L NE1 2359 C CE2 . TRP B 86 ? 0.2818 0.1903 0.2932 -0.0461 -0.0078 0.0292 91 TRP L CE2 2360 C CE3 . TRP B 86 ? 0.2637 0.1685 0.2822 -0.0486 -0.0162 0.0263 91 TRP L CE3 2361 C CZ2 . TRP B 86 ? 0.2906 0.1730 0.2732 -0.0369 -0.0105 0.0291 91 TRP L CZ2 2362 C CZ3 . TRP B 86 ? 0.2901 0.1686 0.2808 -0.0409 -0.0192 0.0263 91 TRP L CZ3 2363 C CH2 . TRP B 86 ? 0.4976 0.3647 0.4691 -0.0341 -0.0160 0.0277 91 TRP L CH2 2364 N N . ASP B 87 ? 0.2595 0.2270 0.3289 -0.0524 -0.0036 0.0202 92 ASP L N 2365 C CA . ASP B 87 ? 0.2173 0.1872 0.2878 -0.0468 -0.0076 0.0161 92 ASP L CA 2366 C C . ASP B 87 ? 0.2863 0.2432 0.3515 -0.0464 -0.0137 0.0145 92 ASP L C 2367 O O . ASP B 87 ? 0.2969 0.2395 0.3546 -0.0504 -0.0148 0.0157 92 ASP L O 2368 C CB . ASP B 87 ? 0.3316 0.2991 0.3998 -0.0456 -0.0095 0.0129 92 ASP L CB 2369 C CG . ASP B 87 ? 0.3649 0.3306 0.4274 -0.0357 -0.0156 0.0072 92 ASP L CG 2370 O OD1 . ASP B 87 ? 0.4446 0.4052 0.5041 -0.0320 -0.0196 0.0053 92 ASP L OD1 2371 O OD2 . ASP B 87 ? 0.2562 0.2235 0.3145 -0.0296 -0.0174 0.0040 92 ASP L OD2 2372 N N . SER B 88 ? 0.2508 0.2137 0.3205 -0.0405 -0.0169 0.0133 93 SER L N 2373 C CA . SER B 88 ? 0.3042 0.2550 0.3695 -0.0393 -0.0240 0.0115 93 SER L CA 2374 C C . SER B 88 ? 0.3213 0.2555 0.3749 -0.0387 -0.0291 0.0075 93 SER L C 2375 O O . SER B 88 ? 0.3044 0.2240 0.3507 -0.0389 -0.0348 0.0066 93 SER L O 2376 C CB . SER B 88 ? 0.2923 0.2572 0.3697 -0.0316 -0.0259 0.0125 93 SER L CB 2377 O OG . SER B 88 ? 0.3225 0.2964 0.3979 -0.0210 -0.0236 0.0096 93 SER L OG 2378 N N . ARG B 89 ? 0.2896 0.2238 0.3418 -0.0381 -0.0292 0.0054 94 ARG L N 2379 C CA . ARG B 89 ? 0.3047 0.2212 0.3499 -0.0390 -0.0379 0.0029 94 ARG L CA 2380 C C . ARG B 89 ? 0.2937 0.2047 0.3439 -0.0491 -0.0362 0.0089 94 ARG L C 2381 O O . ARG B 89 ? 0.2918 0.1889 0.3427 -0.0527 -0.0443 0.0103 94 ARG L O 2382 C CB . ARG B 89 ? 0.3029 0.2175 0.3418 -0.0279 -0.0457 -0.0044 94 ARG L CB 2383 C CG . ARG B 89 ? 0.3240 0.2432 0.3581 -0.0152 -0.0470 -0.0083 94 ARG L CG 2384 C CD . ARG B 89 ? 0.4856 0.3849 0.5047 -0.0057 -0.0606 -0.0158 94 ARG L CD 2385 N NE . ARG B 89 ? 0.5410 0.4423 0.5482 0.0110 -0.0630 -0.0217 94 ARG L NE 2386 C CZ . ARG B 89 ? 0.5091 0.3873 0.4976 0.0214 -0.0781 -0.0299 94 ARG L CZ 2387 N NH1 . ARG B 89 ? 0.4282 0.2818 0.4133 0.0137 -0.0924 -0.0317 94 ARG L NH1 2388 N NH2 . ARG B 89 ? 0.6083 0.4857 0.5796 0.0407 -0.0799 -0.0356 94 ARG L NH2 2389 N N . VAL B 90 ? 0.3521 0.2743 0.4079 -0.0533 -0.0263 0.0138 95 VAL L N 2390 C CA . VAL B 90 ? 0.3080 0.2301 0.3717 -0.0609 -0.0217 0.0218 95 VAL L CA 2391 C C . VAL B 90 ? 0.3273 0.2465 0.3841 -0.0623 -0.0118 0.0289 95 VAL L C 2392 O O . VAL B 90 ? 0.3735 0.2939 0.4220 -0.0585 -0.0095 0.0262 95 VAL L O 2393 C CB . VAL B 90 ? 0.2606 0.1965 0.3333 -0.0613 -0.0188 0.0213 95 VAL L CB 2394 C CG1 . VAL B 90 ? 0.2419 0.1815 0.3271 -0.0683 -0.0131 0.0314 95 VAL L CG1 2395 C CG2 . VAL B 90 ? 0.2495 0.1824 0.3219 -0.0563 -0.0303 0.0135 95 VAL L CG2 2396 N N . PRO B 91 A 0.3553 0.2695 0.4153 -0.0663 -0.0068 0.0393 95 PRO L N 2397 C CA . PRO B 91 A 0.3563 0.2644 0.4027 -0.0629 0.0040 0.0471 95 PRO L CA 2398 C C . PRO B 91 A 0.3364 0.2542 0.3795 -0.0594 0.0120 0.0471 95 PRO L C 2399 O O . PRO B 91 A 0.2526 0.1850 0.3105 -0.0624 0.0134 0.0467 95 PRO L O 2400 C CB . PRO B 91 A 0.3070 0.2144 0.3645 -0.0672 0.0101 0.0618 95 PRO L CB 2401 C CG . PRO B 91 A 0.3765 0.2940 0.4598 -0.0751 0.0019 0.0618 95 PRO L CG 2402 C CD . PRO B 91 A 0.3728 0.2862 0.4503 -0.0731 -0.0116 0.0462 95 PRO L CD 2403 N N . THR B 92 B 0.3300 0.2360 0.3515 -0.0523 0.0150 0.0468 95 THR L N 2404 C CA . THR B 92 B 0.3353 0.2443 0.3491 -0.0476 0.0193 0.0459 95 THR L CA 2405 C C . THR B 92 B 0.3087 0.2323 0.3345 -0.0481 0.0309 0.0547 95 THR L C 2406 O O . THR B 92 B 0.3236 0.2489 0.3536 -0.0472 0.0400 0.0664 95 THR L O 2407 C CB . THR B 92 B 0.4902 0.3761 0.4731 -0.0370 0.0187 0.0459 95 THR L CB 2408 O OG1 . THR B 92 B 0.5468 0.4314 0.5209 -0.0322 0.0186 0.0435 95 THR L OG1 2409 C CG2 . THR B 92 B 0.6904 0.5664 0.6580 -0.0295 0.0306 0.0576 95 THR L CG2 2410 N N . LYS B 93 C 0.3541 0.2896 0.3877 -0.0493 0.0307 0.0507 95 LYS L N 2411 C CA . LYS B 93 C 0.4160 0.3671 0.4641 -0.0497 0.0395 0.0579 95 LYS L CA 2412 C C . LYS B 93 C 0.4196 0.3652 0.4481 -0.0382 0.0498 0.0632 95 LYS L C 2413 O O . LYS B 93 C 0.4247 0.3581 0.4332 -0.0326 0.0449 0.0562 95 LYS L O 2414 C CB . LYS B 93 C 0.3368 0.3016 0.4006 -0.0552 0.0334 0.0506 95 LYS L CB 2415 C CG . LYS B 93 C 0.3186 0.2852 0.3938 -0.0614 0.0228 0.0442 95 LYS L CG 2416 C CD . LYS B 93 C 0.3051 0.2824 0.4022 -0.0665 0.0194 0.0464 95 LYS L CD 2417 C CE . LYS B 93 C 0.3020 0.2729 0.4039 -0.0694 0.0069 0.0407 95 LYS L CE 2418 N NZ . LYS B 93 C 0.2951 0.2642 0.3848 -0.0647 0.0020 0.0302 95 LYS L NZ 2419 N N . TRP B 94 ? 0.3639 0.3178 0.3987 -0.0337 0.0632 0.0768 96 TRP L N 2420 C CA . TRP B 94 ? 0.4070 0.3554 0.4192 -0.0180 0.0755 0.0835 96 TRP L CA 2421 C C . TRP B 94 ? 0.4334 0.4031 0.4648 -0.0169 0.0833 0.0891 96 TRP L C 2422 O O . TRP B 94 ? 0.4904 0.4586 0.5051 -0.0020 0.0946 0.0954 96 TRP L O 2423 C CB . TRP B 94 ? 0.3224 0.2633 0.3208 -0.0075 0.0890 0.0978 96 TRP L CB 2424 C CG . TRP B 94 ? 0.4281 0.3422 0.3985 -0.0044 0.0805 0.0911 96 TRP L CG 2425 C CD1 . TRP B 94 ? 0.3335 0.2448 0.3150 -0.0149 0.0733 0.0902 96 TRP L CD1 2426 C CD2 . TRP B 94 ? 0.4322 0.3157 0.3581 0.0109 0.0751 0.0835 96 TRP L CD2 2427 N NE1 . TRP B 94 ? 0.5579 0.4414 0.5065 -0.0074 0.0655 0.0830 96 TRP L NE1 2428 C CE2 . TRP B 94 ? 0.4719 0.3371 0.3865 0.0082 0.0653 0.0788 96 TRP L CE2 2429 C CE3 . TRP B 94 ? 0.4726 0.3392 0.3657 0.0275 0.0752 0.0798 96 TRP L CE3 2430 C CZ2 . TRP B 94 ? 0.5614 0.3926 0.4353 0.0208 0.0545 0.0707 96 TRP L CZ2 2431 C CZ3 . TRP B 94 ? 0.4926 0.3225 0.3431 0.0404 0.0631 0.0713 96 TRP L CZ3 2432 C CH2 . TRP B 94 ? 0.5571 0.3700 0.3994 0.0366 0.0525 0.0670 96 TRP L CH2 2433 N N . VAL B 95 ? 0.2611 0.2486 0.3251 -0.0307 0.0762 0.0865 97 VAL L N 2434 C CA . VAL B 95 ? 0.2501 0.2553 0.3319 -0.0307 0.0789 0.0884 97 VAL L CA 2435 C C . VAL B 95 ? 0.2861 0.2894 0.3688 -0.0385 0.0645 0.0730 97 VAL L C 2436 O O . VAL B 95 ? 0.4048 0.4062 0.4959 -0.0479 0.0540 0.0664 97 VAL L O 2437 C CB . VAL B 95 ? 0.3626 0.3912 0.4862 -0.0386 0.0826 0.1024 97 VAL L CB 2438 C CG1 . VAL B 95 ? 0.3187 0.3514 0.4475 -0.0333 0.0974 0.1215 97 VAL L CG1 2439 C CG2 . VAL B 95 ? 0.4641 0.4935 0.6095 -0.0540 0.0655 0.0949 97 VAL L CG2 2440 N N . PHE B 96 ? 0.3240 0.3267 0.3959 -0.0327 0.0647 0.0684 98 PHE L N 2451 N N . GLY B 97 ? 0.4242 0.4801 0.6810 0.0102 -0.0275 0.1547 99 GLY L N 2452 C CA . GLY B 97 ? 0.4045 0.4317 0.6770 0.0058 -0.0160 0.1423 99 GLY L CA 2453 C C . GLY B 97 ? 0.4817 0.4880 0.7185 -0.0011 -0.0140 0.1153 99 GLY L C 2454 O O . GLY B 97 ? 0.5848 0.5955 0.7872 -0.0025 -0.0206 0.1064 99 GLY L O 2455 N N . GLY B 98 ? 0.5131 0.4990 0.7610 -0.0053 -0.0043 0.1022 100 GLY L N 2456 C CA . GLY B 98 ? 0.4925 0.4616 0.7104 -0.0114 -0.0014 0.0787 100 GLY L CA 2457 C C . GLY B 98 ? 0.4474 0.4172 0.6262 -0.0110 -0.0064 0.0769 100 GLY L C 2458 O O . GLY B 98 ? 0.5454 0.5213 0.7260 -0.0078 -0.0075 0.0887 100 GLY L O 2459 N N . GLY B 99 ? 0.4536 0.4170 0.5999 -0.0142 -0.0086 0.0627 101 GLY L N 2460 C CA . GLY B 99 ? 0.4368 0.3993 0.5485 -0.0141 -0.0124 0.0591 101 GLY L CA 2461 C C . GLY B 99 ? 0.5281 0.4747 0.6220 -0.0187 -0.0070 0.0418 101 GLY L C 2462 O O . GLY B 99 ? 0.6281 0.5718 0.6964 -0.0188 -0.0087 0.0381 101 GLY L O 2463 N N . THR B 100 ? 0.4474 0.3861 0.5556 -0.0224 -0.0001 0.0317 102 THR L N 2464 C CA . THR B 100 ? 0.3633 0.2926 0.4562 -0.0266 0.0058 0.0164 102 THR L CA 2465 C C . THR B 100 ? 0.3803 0.3067 0.4404 -0.0268 0.0025 0.0134 102 THR L C 2466 O O . THR B 100 ? 0.3937 0.3219 0.4504 -0.0262 -0.0010 0.0154 102 THR L O 2467 C CB . THR B 100 ? 0.3199 0.2456 0.4326 -0.0308 0.0136 0.0060 102 THR L CB 2468 O OG1 . THR B 100 ? 0.3604 0.2886 0.5110 -0.0307 0.0177 0.0084 102 THR L OG1 2469 C CG2 . THR B 100 ? 0.3451 0.2674 0.4419 -0.0350 0.0202 -0.0087 102 THR L CG2 2470 N N . THR B 101 ? 0.4056 0.3286 0.4451 -0.0274 0.0040 0.0084 103 THR L N 2471 C CA . THR B 101 ? 0.3958 0.3152 0.4092 -0.0272 0.0025 0.0069 103 THR L CA 2472 C C . THR B 101 ? 0.3885 0.3038 0.3963 -0.0305 0.0098 -0.0013 103 THR L C 2473 O O . THR B 101 ? 0.4057 0.3235 0.4150 -0.0328 0.0152 -0.0082 103 THR L O 2474 C CB . THR B 101 ? 0.3487 0.2687 0.3430 -0.0251 -0.0005 0.0089 103 THR L CB 2475 O OG1 . THR B 101 ? 0.3436 0.2693 0.3397 -0.0220 -0.0071 0.0173 103 THR L OG1 2476 C CG2 . THR B 101 ? 0.3503 0.2660 0.3234 -0.0248 0.0000 0.0078 103 THR L CG2 2477 N N . LEU B 102 ? 0.3427 0.2541 0.3456 -0.0309 0.0105 -0.0009 104 LEU L N 2478 C CA . LEU B 102 ? 0.3787 0.2873 0.3758 -0.0335 0.0182 -0.0054 104 LEU L CA 2479 C C . LEU B 102 ? 0.4079 0.3142 0.3843 -0.0316 0.0188 -0.0012 104 LEU L C 2480 O O . LEU B 102 ? 0.4103 0.3124 0.3848 -0.0300 0.0160 0.0023 104 LEU L O 2481 C CB . LEU B 102 ? 0.3531 0.2586 0.3648 -0.0355 0.0208 -0.0075 104 LEU L CB 2482 C CG . LEU B 102 ? 0.3329 0.2353 0.3390 -0.0377 0.0294 -0.0095 104 LEU L CG 2483 C CD1 . LEU B 102 ? 0.3175 0.2266 0.3212 -0.0406 0.0366 -0.0155 104 LEU L CD1 2484 C CD2 . LEU B 102 ? 0.2869 0.1854 0.3095 -0.0395 0.0316 -0.0118 104 LEU L CD2 2485 N N . THR B 103 ? 0.3596 0.2708 0.3230 -0.0319 0.0229 -0.0019 105 THR L N 2486 C CA . THR B 103 ? 0.3420 0.2530 0.2883 -0.0294 0.0245 0.0051 105 THR L CA 2487 C C . THR B 103 ? 0.3350 0.2481 0.2795 -0.0310 0.0335 0.0072 105 THR L C 2488 O O . THR B 103 ? 0.4243 0.3463 0.3701 -0.0340 0.0387 0.0012 105 THR L O 2489 C CB . THR B 103 ? 0.5135 0.4336 0.4452 -0.0276 0.0223 0.0056 105 THR L CB 2490 O OG1 . THR B 103 ? 0.5159 0.4329 0.4481 -0.0255 0.0146 0.0064 105 THR L OG1 2491 C CG2 . THR B 103 ? 0.4752 0.3987 0.3916 -0.0247 0.0253 0.0149 105 THR L CG2 2492 N N . VAL B 104 ? 0.3996 0.3057 0.3441 -0.0290 0.0362 0.0153 106 VAL L N 2493 C CA . VAL B 104 ? 0.3220 0.2302 0.2661 -0.0296 0.0460 0.0213 106 VAL L CA 2494 C C . VAL B 104 ? 0.5439 0.4609 0.4720 -0.0257 0.0484 0.0334 106 VAL L C 2495 O O . VAL B 104 ? 0.5939 0.5062 0.5191 -0.0221 0.0442 0.0395 106 VAL L O 2496 C CB . VAL B 104 ? 0.4484 0.3439 0.4098 -0.0301 0.0497 0.0233 106 VAL L CB 2497 C CG1 . VAL B 104 ? 0.4675 0.3651 0.4312 -0.0305 0.0613 0.0318 106 VAL L CG1 2498 C CG2 . VAL B 104 ? 0.3139 0.2050 0.2912 -0.0333 0.0461 0.0121 106 VAL L CG2 2499 N N . LEU B 105 ? 0.5183 0.4506 0.4368 -0.0265 0.0553 0.0370 107 LEU L N 2500 C CA . LEU B 105 ? 0.5160 0.4654 0.4165 -0.0227 0.0560 0.0475 107 LEU L CA 2501 C C . LEU B 105 ? 0.5608 0.5119 0.4613 -0.0182 0.0634 0.0680 107 LEU L C 2502 O O . LEU B 105 ? 0.6277 0.5930 0.5155 -0.0137 0.0628 0.0800 107 LEU L O 2503 C CB . LEU B 105 ? 0.4453 0.4193 0.3337 -0.0258 0.0584 0.0386 107 LEU L CB 2504 C CG . LEU B 105 ? 0.5105 0.4879 0.4006 -0.0291 0.0518 0.0201 107 LEU L CG 2505 C CD1 . LEU B 105 ? 0.4687 0.4718 0.3539 -0.0335 0.0568 0.0074 107 LEU L CD1 2506 C CD2 . LEU B 105 ? 0.4036 0.3813 0.2849 -0.0252 0.0433 0.0225 107 LEU L CD2 2507 N N . GLY B 106 ? 0.3674 0.3055 0.2848 -0.0190 0.0709 0.0731 108 GLY L N 2508 C CA . GLY B 106 ? 0.6375 0.5784 0.5603 -0.0149 0.0805 0.0943 108 GLY L CA 2509 C C . GLY B 106 ? 0.4761 0.4027 0.4126 -0.0098 0.0798 0.1058 108 GLY L C 2510 O O . GLY B 106 ? 0.5848 0.5094 0.5353 -0.0063 0.0894 0.1240 108 GLY L O 2511 N N . GLN B 107 ? 0.4457 0.3636 0.3808 -0.0094 0.0696 0.0958 109 GLN L N 2512 C CA . GLN B 107 ? 0.3688 0.2712 0.3226 -0.0064 0.0690 0.0998 109 GLN L CA 2513 C C . GLN B 107 ? 0.4158 0.3258 0.3637 0.0000 0.0677 0.1155 109 GLN L C 2514 O O . GLN B 107 ? 0.4296 0.3567 0.3545 0.0017 0.0622 0.1174 109 GLN L O 2515 C CB . GLN B 107 ? 0.4099 0.3006 0.3678 -0.0097 0.0593 0.0799 109 GLN L CB 2516 C CG . GLN B 107 ? 0.3827 0.2679 0.3480 -0.0154 0.0589 0.0649 109 GLN L CG 2517 C CD . GLN B 107 ? 0.3930 0.2724 0.3616 -0.0176 0.0488 0.0490 109 GLN L CD 2518 O OE1 . GLN B 107 ? 0.4181 0.2896 0.4039 -0.0176 0.0483 0.0441 109 GLN L OE1 2519 N NE2 . GLN B 107 ? 0.3807 0.2668 0.3353 -0.0194 0.0415 0.0408 109 GLN L NE2 2520 N N . PRO B 108 ? 0.5277 0.4260 0.5002 0.0034 0.0733 0.1258 110 PRO L N 2521 C CA . PRO B 108 ? 0.5750 0.4771 0.5495 0.0097 0.0719 0.1396 110 PRO L CA 2522 C C . PRO B 108 ? 0.4532 0.3527 0.4158 0.0086 0.0593 0.1234 110 PRO L C 2523 O O . PRO B 108 ? 0.3761 0.2637 0.3461 0.0041 0.0550 0.1047 110 PRO L O 2524 C CB . PRO B 108 ? 0.5219 0.4074 0.5354 0.0116 0.0821 0.1476 110 PRO L CB 2525 C CG . PRO B 108 ? 0.5075 0.3790 0.5367 0.0050 0.0842 0.1286 110 PRO L CG 2526 C CD . PRO B 108 ? 0.5262 0.4075 0.5311 0.0013 0.0824 0.1237 110 PRO L CD 2527 N N . LYS B 109 ? 0.3738 0.2871 0.3189 0.0127 0.0537 0.1310 111 LYS L N 2528 C CA . LYS B 109 ? 0.4996 0.4126 0.4313 0.0114 0.0423 0.1159 111 LYS L CA 2529 C C . LYS B 109 ? 0.4109 0.3369 0.3324 0.0172 0.0381 0.1271 111 LYS L C 2530 O O . LYS B 109 ? 0.4328 0.3727 0.3533 0.0226 0.0429 0.1475 111 LYS L O 2531 C CB . LYS B 109 ? 0.4346 0.3545 0.3458 0.0062 0.0364 0.0999 111 LYS L CB 2532 C CG . LYS B 109 ? 0.5379 0.4804 0.4294 0.0068 0.0381 0.1067 111 LYS L CG 2533 C CD . LYS B 109 ? 0.6072 0.5552 0.4865 0.0010 0.0339 0.0883 111 LYS L CD 2534 C CE . LYS B 109 ? 0.6493 0.6252 0.5096 0.0013 0.0347 0.0903 111 LYS L CE 2535 N NZ . LYS B 109 ? 0.7029 0.6941 0.5521 0.0064 0.0296 0.0978 111 LYS L NZ 2536 N N . ALA B 110 ? 0.3699 0.2933 0.2847 0.0163 0.0292 0.1144 112 ALA L N 2537 C CA . ALA B 110 ? 0.4509 0.3865 0.3560 0.0211 0.0239 0.1214 112 ALA L CA 2538 C C . ALA B 110 ? 0.3460 0.2856 0.2333 0.0177 0.0141 0.1034 112 ALA L C 2539 O O . ALA B 110 ? 0.4872 0.4135 0.3799 0.0141 0.0105 0.0891 112 ALA L O 2540 C CB . ALA B 110 ? 0.3598 0.2838 0.2884 0.0251 0.0262 0.1285 112 ALA L CB 2541 N N . ALA B 111 ? 0.3966 0.3572 0.2644 0.0187 0.0103 0.1040 113 ALA L N 2542 C CA . ALA B 111 ? 0.4114 0.3770 0.2667 0.0153 0.0027 0.0869 113 ALA L CA 2543 C C . ALA B 111 ? 0.4444 0.4024 0.3040 0.0171 -0.0029 0.0831 113 ALA L C 2544 O O . ALA B 111 ? 0.4773 0.4352 0.3443 0.0222 -0.0022 0.0950 113 ALA L O 2545 C CB . ALA B 111 ? 0.3911 0.3844 0.2291 0.0158 0.0010 0.0862 113 ALA L CB 2546 N N . PRO B 112 ? 0.4226 0.3750 0.2798 0.0130 -0.0079 0.0676 114 PRO L N 2547 C CA . PRO B 112 ? 0.4556 0.4015 0.3164 0.0138 -0.0127 0.0625 114 PRO L CA 2548 C C . PRO B 112 ? 0.4240 0.3856 0.2757 0.0169 -0.0173 0.0632 114 PRO L C 2549 O O . PRO B 112 ? 0.4720 0.4510 0.3132 0.0163 -0.0183 0.0602 114 PRO L O 2550 C CB . PRO B 112 ? 0.4120 0.3509 0.2734 0.0085 -0.0152 0.0486 114 PRO L CB 2551 C CG . PRO B 112 ? 0.3900 0.3378 0.2451 0.0056 -0.0136 0.0443 114 PRO L CG 2552 C CD . PRO B 112 ? 0.3393 0.2906 0.1939 0.0074 -0.0080 0.0551 114 PRO L CD 2553 N N . SER B 113 ? 0.3777 0.3350 0.2353 0.0197 -0.0197 0.0652 115 SER L N 2554 C CA . SER B 113 ? 0.4459 0.4162 0.2973 0.0222 -0.0248 0.0633 115 SER L CA 2555 C C . SER B 113 ? 0.3031 0.2664 0.1552 0.0183 -0.0282 0.0491 115 SER L C 2556 O O . SER B 113 ? 0.4010 0.3500 0.2607 0.0162 -0.0275 0.0456 115 SER L O 2557 C CB . SER B 113 ? 0.4730 0.4434 0.3333 0.0282 -0.0247 0.0756 115 SER L CB 2558 O OG . SER B 113 ? 0.7410 0.7231 0.5971 0.0305 -0.0300 0.0724 115 SER L OG 2559 N N . VAL B 114 ? 0.4246 0.4006 0.2707 0.0171 -0.0314 0.0407 116 VAL L N 2560 C CA . VAL B 114 ? 0.3993 0.3697 0.2493 0.0134 -0.0331 0.0294 116 VAL L CA 2561 C C . VAL B 114 ? 0.3964 0.3758 0.2469 0.0151 -0.0368 0.0249 116 VAL L C 2562 O O . VAL B 114 ? 0.2933 0.2906 0.1395 0.0167 -0.0386 0.0227 116 VAL L O 2563 C CB . VAL B 114 ? 0.3883 0.3617 0.2396 0.0087 -0.0313 0.0203 116 VAL L CB 2564 C CG1 . VAL B 114 ? 0.3396 0.3076 0.1996 0.0057 -0.0319 0.0126 116 VAL L CG1 2565 C CG2 . VAL B 114 ? 0.3867 0.3509 0.2388 0.0068 -0.0278 0.0241 116 VAL L CG2 2566 N N . THR B 115 ? 0.3464 0.3159 0.2025 0.0146 -0.0377 0.0226 117 THR L N 2567 C CA . THR B 115 ? 0.2818 0.2577 0.1406 0.0157 -0.0403 0.0176 117 THR L CA 2568 C C . THR B 115 ? 0.3158 0.2861 0.1815 0.0117 -0.0392 0.0104 117 THR L C 2569 O O . THR B 115 ? 0.2836 0.2438 0.1514 0.0102 -0.0379 0.0124 117 THR L O 2570 C CB . THR B 115 ? 0.4397 0.4119 0.3014 0.0196 -0.0417 0.0235 117 THR L CB 2571 O OG1 . THR B 115 ? 0.4404 0.4183 0.3002 0.0242 -0.0418 0.0341 117 THR L OG1 2572 C CG2 . THR B 115 ? 0.3865 0.3662 0.2515 0.0207 -0.0444 0.0179 117 THR L CG2 2573 N N . LEU B 116 ? 0.4062 0.3858 0.2774 0.0101 -0.0391 0.0021 118 LEU L N 2574 C CA . LEU B 116 ? 0.2664 0.2420 0.1492 0.0069 -0.0365 -0.0023 118 LEU L CA 2575 C C . LEU B 116 ? 0.2911 0.2712 0.1800 0.0079 -0.0374 -0.0064 118 LEU L C 2576 O O . LEU B 116 ? 0.2666 0.2589 0.1571 0.0091 -0.0392 -0.0130 118 LEU L O 2577 C CB . LEU B 116 ? 0.3054 0.2866 0.1986 0.0035 -0.0332 -0.0100 118 LEU L CB 2578 C CG . LEU B 116 ? 0.3041 0.2824 0.2169 0.0005 -0.0289 -0.0129 118 LEU L CG 2579 C CD1 . LEU B 116 ? 0.2623 0.2296 0.1749 0.0004 -0.0279 -0.0017 118 LEU L CD1 2580 C CD2 . LEU B 116 ? 0.2596 0.2440 0.1878 -0.0029 -0.0246 -0.0223 118 LEU L CD2 2581 N N . PHE B 117 ? 0.3189 0.2919 0.2114 0.0074 -0.0361 -0.0027 119 PHE L N 2592 N N . PRO B 118 ? 0.2100 0.3061 0.3694 0.0074 0.0173 0.0543 120 PRO L N 2593 C CA . PRO B 118 ? 0.2376 0.3193 0.3858 0.0016 0.0242 0.0486 120 PRO L CA 2594 C C . PRO B 118 ? 0.3740 0.4473 0.5335 0.0065 0.0481 0.0503 120 PRO L C 2595 O O . PRO B 118 ? 0.2384 0.3178 0.4185 0.0138 0.0597 0.0540 120 PRO L O 2596 C CB . PRO B 118 ? 0.1831 0.2839 0.3591 -0.0119 0.0106 0.0552 120 PRO L CB 2597 C CG . PRO B 118 ? 0.1732 0.3020 0.3919 -0.0098 0.0051 0.0700 120 PRO L CG 2598 C CD . PRO B 118 ? 0.1650 0.2898 0.3659 0.0008 0.0039 0.0687 120 PRO L CD 2599 N N . PRO B 119 ? 0.4460 0.5031 0.5911 0.0017 0.0574 0.0475 121 PRO L N 2600 C CA . PRO B 119 ? 0.3963 0.4452 0.5478 0.0028 0.0825 0.0492 121 PRO L CA 2601 C C . PRO B 119 ? 0.3783 0.4510 0.5869 0.0008 0.0914 0.0588 121 PRO L C 2602 O O . PRO B 119 ? 0.2644 0.3576 0.5032 -0.0063 0.0751 0.0657 121 PRO L O 2603 C CB . PRO B 119 ? 0.3864 0.4157 0.5133 -0.0047 0.0855 0.0483 121 PRO L CB 2604 C CG . PRO B 119 ? 0.3500 0.3834 0.4794 -0.0112 0.0639 0.0469 121 PRO L CG 2605 C CD . PRO B 119 ? 0.4074 0.4508 0.5305 -0.0057 0.0477 0.0429 121 PRO L CD 2606 N N . SER B 120 ? 0.2175 0.2879 0.4422 0.0057 0.1174 0.0589 122 SER L N 2607 C CA . SER B 120 ? 0.2152 0.3089 0.5040 0.0057 0.1304 0.0689 122 SER L CA 2608 C C . SER B 120 ? 0.3598 0.4523 0.6602 -0.0049 0.1437 0.0720 122 SER L C 2609 O O . SER B 120 ? 0.3929 0.4599 0.6485 -0.0096 0.1550 0.0656 122 SER L O 2610 C CB . SER B 120 ? 0.2786 0.3678 0.5857 0.0157 0.1584 0.0657 122 SER L CB 2611 O OG . SER B 120 ? 0.2886 0.3483 0.5511 0.0131 0.1849 0.0536 122 SER L OG 2612 N N . SER B 121 ? 0.3773 0.4986 0.7396 -0.0097 0.1409 0.0840 123 SER L N 2613 C CA . SER B 121 ? 0.3787 0.5003 0.7572 -0.0205 0.1529 0.0874 123 SER L CA 2614 C C . SER B 121 ? 0.4490 0.5446 0.8023 -0.0173 0.1862 0.0788 123 SER L C 2615 O O . SER B 121 ? 0.2927 0.3746 0.6276 -0.0268 0.1988 0.0782 123 SER L O 2616 C CB . SER B 121 ? 0.3345 0.4861 0.7729 -0.0235 0.1383 0.0990 123 SER L CB 2617 O OG . SER B 121 ? 0.4672 0.6248 0.9355 -0.0102 0.1447 0.1024 123 SER L OG 2618 N N . GLU B 122 ? 0.3794 0.4657 0.7290 -0.0057 0.1996 0.0720 124 GLU L N 2619 C CA . GLU B 122 ? 0.4192 0.4786 0.7392 -0.0054 0.2302 0.0610 124 GLU L CA 2620 C C . GLU B 122 ? 0.4480 0.4796 0.6959 -0.0128 0.2368 0.0532 124 GLU L C 2621 O O . GLU B 122 ? 0.3671 0.3814 0.5866 -0.0213 0.2542 0.0505 124 GLU L O 2622 C CB . GLU B 122 ? 0.4653 0.5161 0.7950 0.0059 0.2414 0.0537 124 GLU L CB 2623 C CG . GLU B 122 ? 0.5131 0.5839 0.9132 0.0133 0.2403 0.0639 124 GLU L CG 2624 C CD . GLU B 122 ? 0.6514 0.7529 1.0898 0.0164 0.2068 0.0792 124 GLU L CD 2625 O OE1 . GLU B 122 ? 0.2646 0.3713 0.6756 0.0133 0.1866 0.0794 124 GLU L OE1 2626 O OE2 . GLU B 122 ? 0.7913 0.9113 1.2861 0.0208 0.2004 0.0918 124 GLU L OE2 2627 N N . GLU B 123 ? 0.3142 0.3419 0.5323 -0.0099 0.2218 0.0514 125 GLU L N 2628 C CA . GLU B 123 ? 0.4600 0.4612 0.6096 -0.0163 0.2236 0.0474 125 GLU L CA 2629 C C . GLU B 123 ? 0.4271 0.4226 0.5634 -0.0264 0.2122 0.0563 125 GLU L C 2630 O O . GLU B 123 ? 0.4129 0.3847 0.5011 -0.0347 0.2210 0.0575 125 GLU L O 2631 C CB . GLU B 123 ? 0.3774 0.3746 0.4972 -0.0084 0.1971 0.0423 125 GLU L CB 2632 C CG . GLU B 123 ? 0.4739 0.4440 0.5230 -0.0132 0.1916 0.0382 125 GLU L CG 2633 C CD . GLU B 123 ? 0.4810 0.4512 0.5094 -0.0056 0.1642 0.0347 125 GLU L CD 2634 O OE1 . GLU B 123 ? 0.4479 0.4002 0.4262 -0.0083 0.1602 0.0312 125 GLU L OE1 2635 O OE2 . GLU B 123 ? 0.4403 0.4293 0.5022 0.0014 0.1463 0.0364 125 GLU L OE2 2636 N N . LEU B 124 ? 0.3652 0.3812 0.5430 -0.0272 0.1918 0.0632 126 LEU L N 2637 C CA . LEU B 124 ? 0.3219 0.3311 0.4948 -0.0376 0.1813 0.0700 126 LEU L CA 2638 C C . LEU B 124 ? 0.4401 0.4429 0.6213 -0.0487 0.2102 0.0762 126 LEU L C 2639 O O . LEU B 124 ? 0.4592 0.4399 0.6061 -0.0573 0.2117 0.0814 126 LEU L O 2640 C CB . LEU B 124 ? 0.2953 0.3286 0.5124 -0.0400 0.1561 0.0734 126 LEU L CB 2641 C CG . LEU B 124 ? 0.3815 0.4174 0.5817 -0.0331 0.1269 0.0675 126 LEU L CG 2642 C CD1 . LEU B 124 ? 0.3430 0.4023 0.5810 -0.0405 0.1039 0.0702 126 LEU L CD1 2643 C CD2 . LEU B 124 ? 0.4298 0.4362 0.5748 -0.0322 0.1175 0.0632 126 LEU L CD2 2644 N N . GLN B 125 ? 0.3547 0.3751 0.5780 -0.0462 0.2270 0.0747 127 GLN L N 2645 C CA . GLN B 125 ? 0.5036 0.5175 0.7281 -0.0534 0.2482 0.0755 127 GLN L CA 2646 C C . GLN B 125 ? 0.5243 0.5066 0.6800 -0.0574 0.2653 0.0701 127 GLN L C 2647 O O . GLN B 125 ? 0.4905 0.4607 0.6276 -0.0674 0.2790 0.0738 127 GLN L O 2648 C CB . GLN B 125 ? 0.4263 0.4611 0.7059 -0.0464 0.2605 0.0729 127 GLN L CB 2649 C CG . GLN B 125 ? 0.4429 0.5117 0.7910 -0.0459 0.2405 0.0823 127 GLN L CG 2650 C CD . GLN B 125 ? 0.6037 0.6902 1.0078 -0.0413 0.2541 0.0846 127 GLN L CD 2651 O OE1 . GLN B 125 ? 0.6906 0.7619 1.0841 -0.0392 0.2822 0.0778 127 GLN L OE1 2652 N NE2 . GLN B 125 ? 0.6642 0.7820 1.1274 -0.0409 0.2337 0.0947 127 GLN L NE2 2653 N N . ALA B 126 ? 0.6031 0.5735 0.7201 -0.0511 0.2623 0.0621 128 ALA L N 2654 C CA . ALA B 126 ? 0.5922 0.5347 0.6388 -0.0574 0.2713 0.0575 128 ALA L CA 2655 C C . ALA B 126 ? 0.6114 0.5364 0.6122 -0.0634 0.2529 0.0690 128 ALA L C 2656 O O . ALA B 126 ? 0.5060 0.4104 0.4465 -0.0686 0.2508 0.0691 128 ALA L O 2657 C CB . ALA B 126 ? 0.5528 0.4897 0.5798 -0.0499 0.2753 0.0429 128 ALA L CB 2658 N N . ASN B 127 ? 0.5584 0.4908 0.5903 -0.0634 0.2377 0.0792 129 ASN L N 2659 C CA . ASN B 127 ? 0.6101 0.5240 0.6093 -0.0656 0.2150 0.0894 129 ASN L CA 2660 C C . ASN B 127 ? 0.5815 0.4878 0.5420 -0.0563 0.1928 0.0845 129 ASN L C 2661 O O . ASN B 127 ? 0.6160 0.5028 0.5341 -0.0591 0.1804 0.0937 129 ASN L O 2662 C CB . ASN B 127 ? 0.7400 0.6309 0.7019 -0.0791 0.2261 0.1025 129 ASN L CB 2663 C CG . ASN B 127 ? 0.9080 0.8026 0.9091 -0.0870 0.2285 0.1113 129 ASN L CG 2664 O OD1 . ASN B 127 ? 0.8949 0.7973 0.9347 -0.0847 0.2132 0.1121 129 ASN L OD1 2665 N ND2 . ASN B 127 ? 1.0010 0.8912 0.9914 -0.0972 0.2448 0.1156 129 ASN L ND2 2666 N N . LYS B 128 ? 0.4397 0.3626 0.4188 -0.0457 0.1874 0.0723 130 LYS L N 2667 C CA . LYS B 128 ? 0.4772 0.3971 0.4296 -0.0368 0.1655 0.0672 130 LYS L CA 2668 C C . LYS B 128 ? 0.4608 0.4029 0.4552 -0.0258 0.1489 0.0598 130 LYS L C 2669 O O . LYS B 128 ? 0.3373 0.2985 0.3783 -0.0253 0.1558 0.0585 130 LYS L O 2670 C CB . LYS B 128 ? 0.4236 0.3340 0.3348 -0.0392 0.1795 0.0593 130 LYS L CB 2671 C CG . LYS B 128 ? 0.5018 0.3894 0.3603 -0.0543 0.1955 0.0666 130 LYS L CG 2672 C CD . LYS B 128 ? 0.6435 0.5187 0.4477 -0.0597 0.1989 0.0582 130 LYS L CD 2673 C CE . LYS B 128 ? 0.6674 0.5333 0.4309 -0.0608 0.1681 0.0696 130 LYS L CE 2674 N NZ . LYS B 128 ? 0.6872 0.5369 0.4197 -0.0727 0.1654 0.0898 130 LYS L NZ 2675 N N . ALA B 129 ? 0.3747 0.3157 0.3536 -0.0181 0.1265 0.0567 131 ALA L N 2676 C CA . ALA B 129 ? 0.3317 0.2915 0.3412 -0.0099 0.1100 0.0505 131 ALA L CA 2677 C C . ALA B 129 ? 0.3989 0.3580 0.3857 -0.0016 0.0974 0.0442 131 ALA L C 2678 O O . ALA B 129 ? 0.4122 0.3572 0.3649 -0.0014 0.0896 0.0469 131 ALA L O 2679 C CB . ALA B 129 ? 0.2945 0.2546 0.3208 -0.0122 0.0941 0.0532 131 ALA L CB 2680 N N . THR B 130 ? 0.4176 0.3937 0.4272 0.0045 0.0946 0.0381 132 THR L N 2681 C CA . THR B 130 ? 0.3668 0.3439 0.3601 0.0114 0.0840 0.0322 132 THR L CA 2682 C C . THR B 130 ? 0.2663 0.2627 0.2884 0.0166 0.0709 0.0301 132 THR L C 2683 O O . THR B 130 ? 0.2914 0.3034 0.3475 0.0170 0.0761 0.0323 132 THR L O 2684 C CB . THR B 130 ? 0.4607 0.4313 0.4379 0.0109 0.1007 0.0265 132 THR L CB 2685 O OG1 . THR B 130 ? 0.4465 0.3986 0.3886 0.0021 0.1132 0.0285 132 THR L OG1 2686 C CG2 . THR B 130 ? 0.4656 0.4361 0.4254 0.0158 0.0886 0.0207 132 THR L CG2 2687 N N . LEU B 131 ? 0.3136 0.3097 0.3236 0.0200 0.0542 0.0273 133 LEU L N 2688 C CA . LEU B 131 ? 0.2609 0.2729 0.2863 0.0231 0.0424 0.0248 133 LEU L CA 2689 C C . LEU B 131 ? 0.2780 0.2913 0.2946 0.0288 0.0439 0.0216 133 LEU L C 2690 O O . LEU B 131 ? 0.3049 0.3066 0.2955 0.0302 0.0439 0.0186 133 LEU L O 2691 C CB . LEU B 131 ? 0.2289 0.2379 0.2455 0.0223 0.0285 0.0210 133 LEU L CB 2692 C CG . LEU B 131 ? 0.2990 0.3069 0.3276 0.0142 0.0252 0.0212 133 LEU L CG 2693 C CD1 . LEU B 131 ? 0.2680 0.2611 0.2828 0.0144 0.0193 0.0152 133 LEU L CD1 2694 C CD2 . LEU B 131 ? 0.4822 0.5108 0.5328 0.0079 0.0171 0.0223 133 LEU L CD2 2695 N N . VAL B 132 ? 0.2685 0.2962 0.3088 0.0310 0.0439 0.0239 134 VAL L N 2696 C CA . VAL B 132 ? 0.1788 0.2056 0.2163 0.0357 0.0478 0.0212 134 VAL L CA 2697 C C . VAL B 132 ? 0.1950 0.2346 0.2382 0.0375 0.0334 0.0232 134 VAL L C 2698 O O . VAL B 132 ? 0.2244 0.2798 0.2919 0.0360 0.0267 0.0310 134 VAL L O 2699 C CB . VAL B 132 ? 0.4353 0.4638 0.5001 0.0376 0.0654 0.0237 134 VAL L CB 2700 C CG1 . VAL B 132 ? 0.3847 0.4072 0.4468 0.0415 0.0713 0.0193 134 VAL L CG1 2701 C CG2 . VAL B 132 ? 0.3243 0.3392 0.3800 0.0336 0.0841 0.0206 134 VAL L CG2 2702 N N . CYS B 133 ? 0.2020 0.2362 0.2231 0.0393 0.0282 0.0176 135 CYS L N 2703 C CA . CYS B 133 ? 0.1916 0.2363 0.2140 0.0398 0.0178 0.0188 135 CYS L CA 2704 C C . CYS B 133 ? 0.2636 0.3063 0.2887 0.0428 0.0229 0.0186 135 CYS L C 2705 O O . CYS B 133 ? 0.2449 0.2780 0.2524 0.0431 0.0253 0.0119 135 CYS L O 2706 C CB . CYS B 133 ? 0.1698 0.2115 0.1724 0.0393 0.0101 0.0124 135 CYS L CB 2707 S SG . CYS B 133 ? 0.4267 0.4807 0.4267 0.0370 0.0017 0.0121 135 CYS L SG 2708 N N . LEU B 134 ? 0.2076 0.2596 0.2574 0.0440 0.0234 0.0274 136 LEU L N 2709 C CA . LEU B 134 ? 0.2761 0.3235 0.3351 0.0468 0.0302 0.0284 136 LEU L CA 2710 C C . LEU B 134 ? 0.2654 0.3218 0.3201 0.0453 0.0194 0.0330 136 LEU L C 2711 O O . LEU B 134 ? 0.2246 0.2955 0.2874 0.0426 0.0089 0.0435 136 LEU L O 2712 C CB . LEU B 134 ? 0.2133 0.2630 0.3101 0.0506 0.0403 0.0379 136 LEU L CB 2713 C CG . LEU B 134 ? 0.2056 0.2453 0.3091 0.0514 0.0572 0.0321 136 LEU L CG 2714 C CD1 . LEU B 134 ? 0.2304 0.2762 0.3830 0.0566 0.0688 0.0431 136 LEU L CD1 2715 C CD2 . LEU B 134 ? 0.2185 0.2357 0.2918 0.0489 0.0707 0.0164 136 LEU L CD2 2716 N N . ILE B 135 ? 0.2576 0.3060 0.2978 0.0449 0.0218 0.0256 137 ILE L N 2717 C CA . ILE B 135 ? 0.2668 0.3231 0.3023 0.0426 0.0148 0.0290 137 ILE L CA 2718 C C . ILE B 135 ? 0.2715 0.3209 0.3213 0.0432 0.0217 0.0325 137 ILE L C 2719 O O . ILE B 135 ? 0.4465 0.4810 0.4929 0.0429 0.0312 0.0229 137 ILE L O 2720 C CB . ILE B 135 ? 0.2583 0.3143 0.2716 0.0410 0.0112 0.0184 137 ILE L CB 2721 C CG1 . ILE B 135 ? 0.2127 0.2688 0.2157 0.0416 0.0078 0.0138 137 ILE L CG1 2722 C CG2 . ILE B 135 ? 0.1559 0.2222 0.1657 0.0378 0.0071 0.0215 137 ILE L CG2 2723 C CD1 . ILE B 135 ? 0.1459 0.1995 0.1366 0.0425 0.0057 0.0059 137 ILE L CD1 2724 N N . SER B 136 ? 0.2586 0.3170 0.3223 0.0422 0.0169 0.0467 138 SER L N 2725 C CA . SER B 136 ? 0.3413 0.3910 0.4245 0.0431 0.0241 0.0531 138 SER L CA 2726 C C . SER B 136 ? 0.3642 0.4233 0.4455 0.0384 0.0168 0.0653 138 SER L C 2727 O O . SER B 136 ? 0.2658 0.3397 0.3317 0.0337 0.0064 0.0710 138 SER L O 2728 C CB . SER B 136 ? 0.3117 0.3578 0.4314 0.0491 0.0311 0.0646 138 SER L CB 2729 O OG . SER B 136 ? 0.3638 0.4295 0.4973 0.0488 0.0179 0.0833 138 SER L OG 2730 N N . ASP B 137 ? 0.3259 0.3740 0.4208 0.0378 0.0243 0.0681 139 ASP L N 2731 C CA . ASP B 137 ? 0.3288 0.3832 0.4267 0.0328 0.0198 0.0836 139 ASP L CA 2732 C C . ASP B 137 ? 0.2869 0.3527 0.3551 0.0254 0.0150 0.0772 139 ASP L C 2733 O O . ASP B 137 ? 0.4188 0.4971 0.4766 0.0194 0.0081 0.0903 139 ASP L O 2734 C CB . ASP B 137 ? 0.3912 0.4579 0.5074 0.0334 0.0096 0.1094 139 ASP L CB 2735 C CG . ASP B 137 ? 0.4488 0.5044 0.6096 0.0418 0.0173 0.1216 139 ASP L CG 2736 O OD1 . ASP B 137 ? 0.3302 0.3654 0.5060 0.0440 0.0318 0.1145 139 ASP L OD1 2737 O OD2 . ASP B 137 ? 0.5666 0.6339 0.7506 0.0455 0.0098 0.1379 139 ASP L OD2 2738 N N . PHE B 138 ? 0.2110 0.2730 0.2664 0.0248 0.0192 0.0581 140 PHE L N 2739 C CA . PHE B 138 ? 0.2773 0.3507 0.3155 0.0195 0.0181 0.0519 140 PHE L CA 2740 C C . PHE B 138 ? 0.3878 0.4565 0.4333 0.0150 0.0239 0.0456 140 PHE L C 2741 O O . PHE B 138 ? 0.4079 0.4623 0.4630 0.0152 0.0278 0.0388 140 PHE L O 2742 C CB . PHE B 138 ? 0.2490 0.3284 0.2717 0.0224 0.0151 0.0385 140 PHE L CB 2743 C CG . PHE B 138 ? 0.2185 0.2880 0.2429 0.0266 0.0158 0.0262 140 PHE L CG 2744 C CD1 . PHE B 138 ? 0.2108 0.2718 0.2372 0.0311 0.0159 0.0259 140 PHE L CD1 2745 C CD2 . PHE B 138 ? 0.2382 0.3085 0.2620 0.0244 0.0159 0.0163 140 PHE L CD2 2746 C CE1 . PHE B 138 ? 0.2162 0.2669 0.2370 0.0323 0.0179 0.0150 140 PHE L CE1 2747 C CE2 . PHE B 138 ? 0.2688 0.3305 0.2875 0.0250 0.0139 0.0072 140 PHE L CE2 2748 C CZ . PHE B 138 ? 0.2386 0.2891 0.2523 0.0285 0.0157 0.0061 140 PHE L CZ 2749 N N . TYR B 139 ? 0.3102 0.3907 0.3506 0.0092 0.0259 0.0469 141 TYR L N 2750 C CA . TYR B 139 ? 0.2885 0.3691 0.3402 0.0030 0.0308 0.0428 141 TYR L CA 2751 C C . TYR B 139 ? 0.1848 0.2836 0.2319 -0.0008 0.0347 0.0397 141 TYR L C 2752 O O . TYR B 139 ? 0.2618 0.3681 0.2949 -0.0035 0.0376 0.0469 141 TYR L O 2753 C CB . TYR B 139 ? 0.2803 0.3505 0.3454 -0.0021 0.0354 0.0570 141 TYR L CB 2754 C CG . TYR B 139 ? 0.2526 0.3214 0.3312 -0.0109 0.0410 0.0532 141 TYR L CG 2755 C CD1 . TYR B 139 ? 0.2718 0.3556 0.3505 -0.0181 0.0459 0.0581 141 TYR L CD1 2756 C CD2 . TYR B 139 ? 0.2138 0.2657 0.3043 -0.0142 0.0427 0.0435 141 TYR L CD2 2757 C CE1 . TYR B 139 ? 0.2309 0.3158 0.3268 -0.0274 0.0509 0.0555 141 TYR L CE1 2758 C CE2 . TYR B 139 ? 0.3132 0.3642 0.4166 -0.0251 0.0461 0.0394 141 TYR L CE2 2759 C CZ . TYR B 139 ? 0.3247 0.3936 0.4336 -0.0312 0.0495 0.0465 141 TYR L CZ 2760 O OH . TYR B 139 ? 0.3824 0.4525 0.5088 -0.0432 0.0529 0.0433 141 TYR L OH 2761 N N . PRO B 140 ? 0.2049 0.3114 0.2646 -0.0023 0.0351 0.0292 142 PRO L N 2762 C CA . PRO B 140 ? 0.2653 0.3643 0.3351 -0.0039 0.0292 0.0206 142 PRO L CA 2763 C C . PRO B 140 ? 0.2446 0.3350 0.3024 0.0032 0.0218 0.0135 142 PRO L C 2764 O O . PRO B 140 ? 0.3151 0.4064 0.3615 0.0102 0.0212 0.0151 142 PRO L O 2765 C CB . PRO B 140 ? 0.2305 0.3490 0.3178 -0.0075 0.0284 0.0152 142 PRO L CB 2766 C CG . PRO B 140 ? 0.2172 0.3489 0.3080 -0.0094 0.0400 0.0212 142 PRO L CG 2767 C CD . PRO B 140 ? 0.2860 0.4111 0.3522 -0.0045 0.0423 0.0259 142 PRO L CD 2768 N N . GLY B 141 ? 0.2769 0.3585 0.3347 -0.0012 0.0166 0.0053 143 GLY L N 2769 C CA . GLY B 141 ? 0.2905 0.3612 0.3328 0.0027 0.0117 -0.0010 143 GLY L CA 2770 C C . GLY B 141 ? 0.2691 0.3532 0.3089 0.0064 0.0021 -0.0039 143 GLY L C 2771 O O . GLY B 141 ? 0.2300 0.3114 0.2624 0.0013 -0.0067 -0.0088 143 GLY L O 2772 N N . ALA B 142 ? 0.2959 0.3928 0.3410 0.0142 0.0040 -0.0002 144 ALA L N 2773 C CA . ALA B 142 ? 0.3669 0.4741 0.4168 0.0201 -0.0025 -0.0014 144 ALA L CA 2774 C C . ALA B 142 ? 0.3152 0.4212 0.3580 0.0288 0.0031 -0.0011 144 ALA L C 2775 O O . ALA B 142 ? 0.3308 0.4425 0.3753 0.0291 0.0121 -0.0003 144 ALA L O 2776 C CB . ALA B 142 ? 0.3732 0.5013 0.4503 0.0182 -0.0042 0.0000 144 ALA L CB 2777 N N . VAL B 143 ? 0.2165 0.3139 0.2483 0.0334 -0.0019 -0.0021 145 VAL L N 2778 C CA . VAL B 143 ? 0.3083 0.4025 0.3337 0.0396 0.0023 -0.0032 145 VAL L CA 2779 C C . VAL B 143 ? 0.3515 0.4448 0.3823 0.0454 -0.0037 -0.0032 145 VAL L C 2780 O O . VAL B 143 ? 0.3486 0.4416 0.3802 0.0437 -0.0136 0.0000 145 VAL L O 2781 C CB . VAL B 143 ? 0.2636 0.3455 0.2725 0.0388 0.0036 -0.0015 145 VAL L CB 2782 C CG1 . VAL B 143 ? 0.2414 0.3253 0.2498 0.0344 0.0086 0.0031 145 VAL L CG1 2783 C CG2 . VAL B 143 ? 0.2067 0.2768 0.2075 0.0372 -0.0004 -0.0018 145 VAL L CG2 2784 N N . THR B 144 ? 0.2824 0.3739 0.3155 0.0507 0.0022 -0.0062 146 THR L N 2785 C CA . THR B 144 ? 0.3077 0.3934 0.3470 0.0569 -0.0020 -0.0045 146 THR L CA 2786 C C . THR B 144 ? 0.2762 0.3484 0.2989 0.0571 0.0020 -0.0078 146 THR L C 2787 O O . THR B 144 ? 0.3420 0.4135 0.3581 0.0546 0.0102 -0.0139 146 THR L O 2788 C CB . THR B 144 ? 0.4141 0.5089 0.4835 0.0638 0.0034 -0.0056 146 THR L CB 2789 O OG1 . THR B 144 ? 0.4711 0.5653 0.5385 0.0630 0.0194 -0.0156 146 THR L OG1 2790 C CG2 . THR B 144 ? 0.3109 0.4237 0.4045 0.0628 -0.0027 0.0001 146 THR L CG2 2791 N N . VAL B 145 ? 0.2653 0.3273 0.2794 0.0578 -0.0044 -0.0034 147 VAL L N 2792 C CA . VAL B 145 ? 0.3132 0.3637 0.3155 0.0566 -0.0013 -0.0054 147 VAL L CA 2793 C C . VAL B 145 ? 0.3619 0.4026 0.3734 0.0617 -0.0006 -0.0048 147 VAL L C 2794 O O . VAL B 145 ? 0.4485 0.4872 0.4677 0.0654 -0.0076 0.0035 147 VAL L O 2795 C CB . VAL B 145 ? 0.3530 0.3969 0.3404 0.0527 -0.0042 -0.0011 147 VAL L CB 2796 C CG1 . VAL B 145 ? 0.2963 0.3328 0.2787 0.0506 -0.0007 -0.0020 147 VAL L CG1 2797 C CG2 . VAL B 145 ? 0.4227 0.4723 0.4068 0.0488 -0.0029 -0.0013 147 VAL L CG2 2798 N N . ALA B 146 ? 0.2932 0.3271 0.3034 0.0602 0.0071 -0.0129 148 ALA L N 2799 C CA . ALA B 146 ? 0.3111 0.3307 0.3313 0.0640 0.0105 -0.0142 148 ALA L CA 2800 C C . ALA B 146 ? 0.3568 0.3655 0.3626 0.0569 0.0115 -0.0170 148 ALA L C 2801 O O . ALA B 146 ? 0.3199 0.3335 0.3129 0.0488 0.0127 -0.0227 148 ALA L O 2802 C CB . ALA B 146 ? 0.2326 0.2504 0.2691 0.0673 0.0227 -0.0250 148 ALA L CB 2803 N N . TRP B 147 ? 0.4589 0.4544 0.4689 0.0588 0.0097 -0.0108 149 TRP L N 2804 C CA . TRP B 147 ? 0.3998 0.3856 0.4011 0.0512 0.0109 -0.0122 149 TRP L CA 2805 C C . TRP B 147 ? 0.3755 0.3436 0.3859 0.0499 0.0186 -0.0210 149 TRP L C 2806 O O . TRP B 147 ? 0.3393 0.2972 0.3678 0.0583 0.0225 -0.0194 149 TRP L O 2807 C CB . TRP B 147 ? 0.3607 0.3421 0.3568 0.0511 0.0062 0.0008 149 TRP L CB 2808 C CG . TRP B 147 ? 0.3841 0.3775 0.3685 0.0489 0.0034 0.0048 149 TRP L CG 2809 C CD1 . TRP B 147 ? 0.3644 0.3642 0.3435 0.0518 -0.0009 0.0095 149 TRP L CD1 2810 C CD2 . TRP B 147 ? 0.3453 0.3447 0.3260 0.0426 0.0058 0.0044 149 TRP L CD2 2811 N NE1 . TRP B 147 ? 0.3797 0.3851 0.3495 0.0476 0.0013 0.0094 149 TRP L NE1 2812 C CE2 . TRP B 147 ? 0.3058 0.3117 0.2798 0.0435 0.0059 0.0075 149 TRP L CE2 2813 C CE3 . TRP B 147 ? 0.1930 0.1935 0.1790 0.0357 0.0075 0.0022 149 TRP L CE3 2814 C CZ2 . TRP B 147 ? 0.2617 0.2736 0.2388 0.0402 0.0105 0.0087 149 TRP L CZ2 2815 C CZ3 . TRP B 147 ? 0.3451 0.3563 0.3363 0.0322 0.0088 0.0061 149 TRP L CZ3 2816 C CH2 . TRP B 147 ? 0.2738 0.2897 0.2626 0.0357 0.0117 0.0094 149 TRP L CH2 2817 N N . LYS B 148 ? 0.2812 0.2455 0.2819 0.0384 0.0206 -0.0298 150 LYS L N 2818 C CA . LYS B 148 ? 0.3819 0.3259 0.3873 0.0331 0.0291 -0.0415 150 LYS L CA 2819 C C . LYS B 148 ? 0.4806 0.4161 0.4845 0.0236 0.0262 -0.0379 150 LYS L C 2820 O O . LYS B 148 ? 0.4831 0.4317 0.4775 0.0131 0.0198 -0.0372 150 LYS L O 2821 C CB . LYS B 148 ? 0.4037 0.3489 0.3947 0.0227 0.0358 -0.0604 150 LYS L CB 2822 C CG . LYS B 148 ? 0.5056 0.4548 0.5020 0.0310 0.0449 -0.0671 150 LYS L CG 2823 C CD . LYS B 148 ? 0.6923 0.6222 0.7171 0.0430 0.0572 -0.0698 150 LYS L CD 2824 C CE . LYS B 148 ? 0.7109 0.6484 0.7504 0.0521 0.0680 -0.0751 150 LYS L CE 2825 N NZ . LYS B 148 ? 0.7237 0.6620 0.7387 0.0390 0.0803 -0.0957 150 LYS L NZ 2826 N N . ALA B 149 ? 0.4988 0.4133 0.5166 0.0274 0.0305 -0.0331 151 ALA L N 2827 C CA . ALA B 149 ? 0.4505 0.3530 0.4700 0.0167 0.0309 -0.0316 151 ALA L CA 2828 C C . ALA B 149 ? 0.3356 0.2218 0.3529 0.0058 0.0393 -0.0532 151 ALA L C 2829 O O . ALA B 149 ? 0.4678 0.3339 0.4970 0.0123 0.0505 -0.0615 151 ALA L O 2830 C CB . ALA B 149 ? 0.4864 0.3729 0.5189 0.0245 0.0320 -0.0148 151 ALA L CB 2831 N N . ASP B 150 ? 0.3611 0.2561 0.3644 -0.0120 0.0342 -0.0622 152 ASP L N 2832 C CA . ASP B 150 ? 0.5388 0.4187 0.5297 -0.0276 0.0412 -0.0854 152 ASP L CA 2833 C C . ASP B 150 ? 0.5164 0.3965 0.4992 -0.0200 0.0505 -0.0971 152 ASP L C 2834 O O . ASP B 150 ? 0.4932 0.3974 0.4629 -0.0186 0.0436 -0.0933 152 ASP L O 2835 C CB . ASP B 150 ? 0.6593 0.5046 0.6649 -0.0314 0.0529 -0.0933 152 ASP L CB 2836 C CG . ASP B 150 ? 0.8769 0.7213 0.8856 -0.0478 0.0454 -0.0888 152 ASP L CG 2837 O OD1 . ASP B 150 ? 0.9679 0.8383 0.9657 -0.0609 0.0319 -0.0861 152 ASP L OD1 2838 O OD2 . ASP B 150 ? 0.8598 0.6785 0.8859 -0.0478 0.0529 -0.0864 152 ASP L OD2 2839 N N . SER B 151 ? 0.5008 0.3535 0.4958 -0.0146 0.0680 -0.1104 153 SER L N 2840 C CA . SER B 151 ? 0.5263 0.3772 0.5197 -0.0078 0.0821 -0.1236 153 SER L CA 2841 C C . SER B 151 ? 0.5797 0.4302 0.6082 0.0174 0.0870 -0.1091 153 SER L C 2842 O O . SER B 151 ? 0.6824 0.5393 0.7180 0.0261 0.0966 -0.1145 153 SER L O 2843 C CB . SER B 151 ? 0.6084 0.4286 0.5921 -0.0219 0.1028 -0.1534 153 SER L CB 2844 O OG . SER B 151 ? 0.6744 0.4626 0.6850 -0.0182 0.1129 -0.1550 153 SER L OG 2845 N N . SER B 152 ? 0.6074 0.4518 0.6581 0.0275 0.0797 -0.0891 154 SER L N 2846 C CA . SER B 152 ? 0.6265 0.4710 0.7110 0.0488 0.0798 -0.0711 154 SER L CA 2847 C C . SER B 152 ? 0.5678 0.4424 0.6454 0.0562 0.0617 -0.0500 154 SER L C 2848 O O . SER B 152 ? 0.4458 0.3321 0.5027 0.0486 0.0494 -0.0416 154 SER L O 2849 C CB . SER B 152 ? 0.6472 0.4653 0.7579 0.0543 0.0819 -0.0587 154 SER L CB 2850 O OG . SER B 152 ? 0.6850 0.5067 0.7795 0.0458 0.0685 -0.0450 154 SER L OG 2851 N N . PRO B 153 ? 0.5452 0.4321 0.6432 0.0704 0.0613 -0.0420 155 PRO L N 2852 C CA . PRO B 153 ? 0.4980 0.4112 0.5893 0.0756 0.0451 -0.0247 155 PRO L CA 2853 C C . PRO B 153 ? 0.4912 0.4022 0.5814 0.0776 0.0310 -0.0014 155 PRO L C 2854 O O . PRO B 153 ? 0.4995 0.3906 0.6084 0.0817 0.0329 0.0081 155 PRO L O 2855 C CB . PRO B 153 ? 0.3850 0.3074 0.5083 0.0891 0.0496 -0.0219 155 PRO L CB 2856 C CG . PRO B 153 ? 0.4200 0.3170 0.5779 0.0964 0.0658 -0.0276 155 PRO L CG 2857 C CD . PRO B 153 ? 0.4551 0.3306 0.5887 0.0818 0.0780 -0.0496 155 PRO L CD 2858 N N . VAL B 154 ? 0.4446 0.3737 0.5117 0.0738 0.0189 0.0076 156 VAL L N 2859 C CA . VAL B 154 ? 0.5079 0.4350 0.5648 0.0726 0.0080 0.0276 156 VAL L CA 2860 C C . VAL B 154 ? 0.5904 0.5359 0.6437 0.0767 -0.0048 0.0408 156 VAL L C 2861 O O . VAL B 154 ? 0.6671 0.6297 0.7088 0.0744 -0.0064 0.0330 156 VAL L O 2862 C CB . VAL B 154 ? 0.5869 0.5154 0.6165 0.0606 0.0085 0.0245 156 VAL L CB 2863 C CG1 . VAL B 154 ? 0.6823 0.6029 0.7004 0.0575 0.0032 0.0433 156 VAL L CG1 2864 C CG2 . VAL B 154 ? 0.6159 0.5329 0.6479 0.0528 0.0181 0.0092 156 VAL L CG2 2865 N N . LYS B 155 ? 0.5919 0.5334 0.6552 0.0810 -0.0153 0.0619 157 LYS L N 2866 C CA . LYS B 155 ? 0.6453 0.6042 0.7014 0.0808 -0.0311 0.0760 157 LYS L CA 2867 C C . LYS B 155 ? 0.6851 0.6403 0.7018 0.0690 -0.0384 0.0871 157 LYS L C 2868 O O . LYS B 155 ? 0.7339 0.7009 0.7247 0.0617 -0.0433 0.0845 157 LYS L O 2869 C CB . LYS B 155 ? 0.6591 0.6207 0.7535 0.0913 -0.0415 0.0955 157 LYS L CB 2870 C CG . LYS B 155 ? 0.6154 0.5991 0.7062 0.0888 -0.0613 0.1104 157 LYS L CG 2871 C CD . LYS B 155 ? 0.5965 0.5831 0.7231 0.0963 -0.0777 0.1392 157 LYS L CD 2872 C CE . LYS B 155 ? 0.5628 0.5476 0.7458 0.1115 -0.0646 0.1329 157 LYS L CE 2873 N NZ . LYS B 155 ? 0.5747 0.5635 0.7860 0.1141 -0.0757 0.1530 157 LYS L NZ 2874 N N . ALA B 156 ? 0.5755 0.5121 0.5874 0.0662 -0.0364 0.0983 158 ALA L N 2875 C CA . ALA B 156 ? 0.4755 0.4058 0.4487 0.0538 -0.0397 0.1097 158 ALA L CA 2876 C C . ALA B 156 ? 0.4287 0.3606 0.3762 0.0452 -0.0259 0.0915 158 ALA L C 2877 O O . ALA B 156 ? 0.4891 0.4198 0.4504 0.0472 -0.0144 0.0760 158 ALA L O 2878 C CB . ALA B 156 ? 0.4490 0.3581 0.4273 0.0528 -0.0390 0.1277 158 ALA L CB 2879 N N . GLY B 157 ? 0.4727 0.4073 0.3842 0.0344 -0.0271 0.0940 159 GLY L N 2880 C CA . GLY B 157 ? 0.4772 0.4118 0.3700 0.0269 -0.0116 0.0796 159 GLY L CA 2881 C C . GLY B 157 ? 0.5145 0.4641 0.4102 0.0290 -0.0089 0.0628 159 GLY L C 2882 O O . GLY B 157 ? 0.5667 0.5174 0.4530 0.0242 0.0038 0.0524 159 GLY L O 2883 N N . VAL B 158 ? 0.5090 0.4701 0.4221 0.0365 -0.0196 0.0613 160 VAL L N 2884 C CA . VAL B 158 ? 0.4253 0.4000 0.3439 0.0385 -0.0173 0.0472 160 VAL L CA 2885 C C . VAL B 158 ? 0.3860 0.3649 0.2795 0.0301 -0.0227 0.0469 160 VAL L C 2886 O O . VAL B 158 ? 0.4279 0.4104 0.3147 0.0272 -0.0377 0.0578 160 VAL L O 2887 C CB . VAL B 158 ? 0.3543 0.3395 0.3040 0.0488 -0.0221 0.0435 160 VAL L CB 2888 C CG1 . VAL B 158 ? 0.2813 0.2800 0.2341 0.0491 -0.0194 0.0313 160 VAL L CG1 2889 C CG2 . VAL B 158 ? 0.2380 0.2152 0.2070 0.0537 -0.0144 0.0393 160 VAL L CG2 2890 N N . GLU B 159 ? 0.3665 0.3448 0.2486 0.0252 -0.0106 0.0347 161 GLU L N 2891 C CA . GLU B 159 ? 0.4346 0.4127 0.2928 0.0156 -0.0115 0.0292 161 GLU L CA 2892 C C . GLU B 159 ? 0.4823 0.4695 0.3591 0.0201 -0.0055 0.0170 161 GLU L C 2893 O O . GLU B 159 ? 0.3565 0.3425 0.2455 0.0235 0.0080 0.0106 161 GLU L O 2894 C CB . GLU B 159 ? 0.6443 0.6062 0.4692 0.0037 0.0033 0.0254 161 GLU L CB 2895 C CG . GLU B 159 ? 0.8085 0.7592 0.6145 -0.0015 0.0026 0.0385 161 GLU L CG 2896 C CD . GLU B 159 ? 0.9056 0.8550 0.6830 -0.0115 -0.0169 0.0526 161 GLU L CD 2897 O OE1 . GLU B 159 ? 0.8711 0.8330 0.6558 -0.0109 -0.0336 0.0542 161 GLU L OE1 2898 O OE2 . GLU B 159 ? 0.9538 0.8910 0.7024 -0.0211 -0.0164 0.0639 161 GLU L OE2 2899 N N . THR B 160 ? 0.5155 0.5131 0.3974 0.0194 -0.0165 0.0161 162 THR L N 2900 C CA . THR B 160 ? 0.4355 0.4414 0.3355 0.0230 -0.0116 0.0071 162 THR L CA 2901 C C . THR B 160 ? 0.3785 0.3822 0.2627 0.0121 -0.0132 0.0004 162 THR L C 2902 O O . THR B 160 ? 0.4244 0.4330 0.2976 0.0047 -0.0279 0.0050 162 THR L O 2903 C CB . THR B 160 ? 0.3541 0.3758 0.2834 0.0328 -0.0194 0.0103 162 THR L CB 2904 O OG1 . THR B 160 ? 0.3286 0.3486 0.2700 0.0404 -0.0163 0.0132 162 THR L OG1 2905 C CG2 . THR B 160 ? 0.2617 0.2912 0.2053 0.0344 -0.0135 0.0032 162 THR L CG2 2906 N N . THR B 161 ? 0.3240 0.3204 0.2099 0.0105 0.0015 -0.0096 163 THR L N 2907 C CA . THR B 161 ? 0.3726 0.3619 0.2449 -0.0009 0.0039 -0.0191 163 THR L CA 2908 C C . THR B 161 ? 0.3842 0.3896 0.2779 0.0008 -0.0071 -0.0176 163 THR L C 2909 O O . THR B 161 ? 0.2923 0.3120 0.2127 0.0120 -0.0098 -0.0119 163 THR L O 2910 C CB . THR B 161 ? 0.2796 0.2536 0.1564 -0.0012 0.0262 -0.0294 163 THR L CB 2911 O OG1 . THR B 161 ? 0.2714 0.2563 0.1836 0.0112 0.0291 -0.0248 163 THR L OG1 2912 C CG2 . THR B 161 ? 0.2905 0.2503 0.1529 -0.0025 0.0414 -0.0314 163 THR L CG2 2913 N N . THR B 162 ? 0.4147 0.4173 0.2948 -0.0126 -0.0123 -0.0237 164 THR L N 2914 C CA . THR B 162 ? 0.3570 0.3731 0.2594 -0.0136 -0.0189 -0.0239 164 THR L CA 2915 C C . THR B 162 ? 0.4109 0.4196 0.3317 -0.0077 -0.0016 -0.0291 164 THR L C 2916 O O . THR B 162 ? 0.4583 0.4485 0.3715 -0.0081 0.0145 -0.0356 164 THR L O 2917 C CB . THR B 162 ? 0.5076 0.5203 0.3895 -0.0332 -0.0286 -0.0304 164 THR L CB 2918 O OG1 . THR B 162 ? 0.4083 0.4263 0.2677 -0.0415 -0.0465 -0.0226 164 THR L OG1 2919 C CG2 . THR B 162 ? 0.6826 0.7133 0.5933 -0.0346 -0.0369 -0.0284 164 THR L CG2 2920 N N . PRO B 163 ? 0.3612 0.3847 0.3087 -0.0024 -0.0041 -0.0245 165 PRO L N 2921 C CA . PRO B 163 ? 0.2822 0.2991 0.2469 0.0015 0.0095 -0.0250 165 PRO L CA 2922 C C . PRO B 163 ? 0.3765 0.3718 0.3329 -0.0101 0.0202 -0.0363 165 PRO L C 2923 O O . PRO B 163 ? 0.4840 0.4769 0.4265 -0.0241 0.0130 -0.0435 165 PRO L O 2924 C CB . PRO B 163 ? 0.3161 0.3529 0.3030 0.0041 0.0034 -0.0183 165 PRO L CB 2925 C CG . PRO B 163 ? 0.4658 0.5203 0.4545 0.0083 -0.0090 -0.0136 165 PRO L CG 2926 C CD . PRO B 163 ? 0.3917 0.4386 0.3575 0.0006 -0.0175 -0.0170 165 PRO L CD 2927 N N . SER B 164 ? 0.3425 0.3219 0.3099 -0.0054 0.0371 -0.0374 166 SER L N 2928 C CA . SER B 164 ? 0.4113 0.3653 0.3770 -0.0149 0.0526 -0.0495 166 SER L CA 2929 C C . SER B 164 ? 0.3850 0.3362 0.3853 -0.0082 0.0618 -0.0410 166 SER L C 2930 O O . SER B 164 ? 0.4476 0.4109 0.4689 0.0046 0.0610 -0.0263 166 SER L O 2931 C CB . SER B 164 ? 0.4906 0.4220 0.4408 -0.0162 0.0699 -0.0600 166 SER L CB 2932 O OG . SER B 164 ? 0.5834 0.5189 0.5590 -0.0007 0.0785 -0.0492 166 SER L OG 2933 N N . LYS B 165 ? 0.3678 0.3023 0.3729 -0.0187 0.0694 -0.0493 167 LYS L N 2934 C CA . LYS B 165 ? 0.3066 0.2367 0.3456 -0.0139 0.0772 -0.0385 167 LYS L CA 2935 C C . LYS B 165 ? 0.3702 0.2822 0.4349 -0.0032 0.0964 -0.0341 167 LYS L C 2936 O O . LYS B 165 ? 0.4472 0.3337 0.5054 -0.0072 0.1143 -0.0498 167 LYS L O 2937 C CB . LYS B 165 ? 0.3834 0.2986 0.4224 -0.0297 0.0805 -0.0491 167 LYS L CB 2938 C CG . LYS B 165 ? 0.3989 0.3077 0.4735 -0.0261 0.0886 -0.0358 167 LYS L CG 2939 C CD . LYS B 165 ? 0.4405 0.3335 0.5157 -0.0438 0.0920 -0.0472 167 LYS L CD 2940 C CE . LYS B 165 ? 0.4540 0.3391 0.5660 -0.0403 0.1004 -0.0309 167 LYS L CE 2941 N NZ . LYS B 165 ? 0.4885 0.3564 0.6045 -0.0588 0.1051 -0.0420 167 LYS L NZ 2942 N N . GLN B 166 ? 0.3720 0.2980 0.4666 0.0092 0.0930 -0.0120 168 GLN L N 2943 C CA . GLN B 166 ? 0.2958 0.2102 0.4271 0.0205 0.1078 -0.0012 168 GLN L CA 2944 C C . GLN B 166 ? 0.4276 0.3176 0.5886 0.0178 0.1227 0.0007 168 GLN L C 2945 O O . GLN B 166 ? 0.5201 0.4053 0.6715 0.0066 0.1192 -0.0045 168 GLN L O 2946 C CB . GLN B 166 ? 0.2537 0.1956 0.4035 0.0321 0.0936 0.0248 168 GLN L CB 2947 C CG . GLN B 166 ? 0.2320 0.1951 0.3568 0.0346 0.0806 0.0230 168 GLN L CG 2948 C CD . GLN B 166 ? 0.2926 0.2810 0.4310 0.0416 0.0660 0.0461 168 GLN L CD 2949 O OE1 . GLN B 166 ? 0.3362 0.3384 0.4641 0.0446 0.0585 0.0466 168 GLN L OE1 2950 N NE2 . GLN B 166 ? 0.3429 0.3363 0.5022 0.0422 0.0615 0.0659 168 GLN L NE2 2951 N N . SER B 167 ? 0.4440 0.3188 0.6463 0.0282 0.1398 0.0093 169 SER L N 2952 C CA . SER B 167 ? 0.6109 0.4583 0.8498 0.0277 0.1567 0.0130 169 SER L CA 2953 C C . SER B 167 ? 0.5735 0.4369 0.8304 0.0287 0.1407 0.0409 169 SER L C 2954 O O . SER B 167 ? 0.5524 0.3953 0.8270 0.0230 0.1495 0.0426 169 SER L O 2955 C CB . SER B 167 ? 0.6934 0.5265 0.9800 0.0403 0.1785 0.0191 169 SER L CB 2956 O OG . SER B 167 ? 0.8283 0.6937 1.1415 0.0533 0.1631 0.0480 169 SER L OG 2957 N N . ASN B 168 ? 0.4973 0.3952 0.7468 0.0341 0.1185 0.0618 170 ASN L N 2958 C CA . ASN B 168 ? 0.4819 0.3966 0.7380 0.0322 0.1034 0.0881 170 ASN L CA 2959 C C . ASN B 168 ? 0.5550 0.4848 0.7689 0.0196 0.0912 0.0769 170 ASN L C 2960 O O . ASN B 168 ? 0.5995 0.5504 0.8052 0.0168 0.0779 0.0946 170 ASN L O 2961 C CB . ASN B 168 ? 0.3830 0.3268 0.6499 0.0411 0.0861 0.1167 170 ASN L CB 2962 C CG . ASN B 168 ? 0.4050 0.3753 0.6301 0.0389 0.0706 0.1075 170 ASN L CG 2963 O OD1 . ASN B 168 ? 0.2654 0.2322 0.4602 0.0344 0.0736 0.0814 170 ASN L OD1 2964 N ND2 . ASN B 168 ? 0.3877 0.3836 0.6112 0.0410 0.0533 0.1298 170 ASN L ND2 2965 N N . ASN B 169 ? 0.5125 0.4322 0.7003 0.0112 0.0964 0.0480 171 ASN L N 2966 C CA . ASN B 169 ? 0.5126 0.4453 0.6713 -0.0010 0.0864 0.0369 171 ASN L CA 2967 C C . ASN B 169 ? 0.4738 0.4401 0.6094 0.0021 0.0692 0.0432 171 ASN L C 2968 O O . ASN B 169 ? 0.5520 0.5338 0.6734 -0.0055 0.0618 0.0397 171 ASN L O 2969 C CB . ASN B 169 ? 0.6276 0.5542 0.8019 -0.0101 0.0891 0.0466 171 ASN L CB 2970 C CG . ASN B 169 ? 0.7777 0.6669 0.9725 -0.0167 0.1076 0.0350 171 ASN L CG 2971 O OD1 . ASN B 169 ? 0.8682 0.7425 1.0452 -0.0286 0.1128 0.0089 171 ASN L OD1 2972 N ND2 . ASN B 169 ? 0.7699 0.6427 1.0021 -0.0103 0.1175 0.0549 171 ASN L ND2 2973 N N . LYS B 170 ? 0.3581 0.3349 0.4935 0.0126 0.0644 0.0517 172 LYS L N 2974 C CA . LYS B 170 ? 0.3573 0.3590 0.4680 0.0147 0.0513 0.0506 172 LYS L CA 2975 C C . LYS B 170 ? 0.3702 0.3665 0.4634 0.0160 0.0525 0.0304 172 LYS L C 2976 O O . LYS B 170 ? 0.4036 0.3780 0.4988 0.0130 0.0635 0.0170 172 LYS L O 2977 C CB . LYS B 170 ? 0.2750 0.2919 0.3921 0.0217 0.0433 0.0716 172 LYS L CB 2978 C CG . LYS B 170 ? 0.2815 0.3065 0.4063 0.0174 0.0391 0.0947 172 LYS L CG 2979 C CD . LYS B 170 ? 0.3777 0.4216 0.4976 0.0193 0.0265 0.1144 172 LYS L CD 2980 C CE . LYS B 170 ? 0.4667 0.5185 0.5866 0.0117 0.0211 0.1395 172 LYS L CE 2981 N NZ . LYS B 170 ? 0.4544 0.5258 0.5605 0.0087 0.0059 0.1583 172 LYS L NZ 2982 N N . TYR B 171 ? 0.3256 0.3395 0.3999 0.0188 0.0425 0.0280 173 TYR L N 2983 C CA . TYR B 171 ? 0.2961 0.3056 0.3516 0.0186 0.0419 0.0120 173 TYR L CA 2984 C C . TYR B 171 ? 0.3703 0.3836 0.4242 0.0269 0.0409 0.0153 173 TYR L C 2985 O O . TYR B 171 ? 0.3550 0.3817 0.4166 0.0317 0.0351 0.0288 173 TYR L O 2986 C CB . TYR B 171 ? 0.1917 0.2155 0.2302 0.0135 0.0316 0.0044 173 TYR L CB 2987 C CG . TYR B 171 ? 0.4641 0.4837 0.5053 0.0026 0.0321 -0.0023 173 TYR L CG 2988 C CD1 . TYR B 171 ? 0.4206 0.4479 0.4764 -0.0009 0.0332 0.0063 173 TYR L CD1 2989 C CD2 . TYR B 171 ? 0.4761 0.4840 0.5030 -0.0069 0.0313 -0.0169 173 TYR L CD2 2990 C CE1 . TYR B 171 ? 0.3942 0.4184 0.4561 -0.0125 0.0337 0.0003 173 TYR L CE1 2991 C CE2 . TYR B 171 ? 0.4691 0.4740 0.4984 -0.0201 0.0297 -0.0235 173 TYR L CE2 2992 C CZ . TYR B 171 ? 0.4543 0.4678 0.5040 -0.0223 0.0311 -0.0150 173 TYR L CZ 2993 O OH . TYR B 171 ? 0.5037 0.5153 0.5595 -0.0369 0.0295 -0.0213 173 TYR L OH 2994 N N . ALA B 172 ? 0.3135 0.3146 0.3553 0.0262 0.0464 0.0029 174 ALA L N 2995 C CA . ALA B 172 ? 0.4028 0.4065 0.4429 0.0324 0.0471 0.0046 174 ALA L CA 2996 C C . ALA B 172 ? 0.3811 0.3853 0.3927 0.0288 0.0414 -0.0061 174 ALA L C 2997 O O . ALA B 172 ? 0.3972 0.3955 0.3914 0.0206 0.0390 -0.0158 174 ALA L O 2998 C CB . ALA B 172 ? 0.2057 0.1924 0.2654 0.0357 0.0643 0.0035 174 ALA L CB 2999 N N . ALA B 173 ? 0.2957 0.3072 0.3039 0.0336 0.0377 -0.0026 175 ALA L N 3000 C CA . ALA B 173 ? 0.2025 0.2127 0.1871 0.0311 0.0325 -0.0087 175 ALA L CA 3001 C C . ALA B 173 ? 0.2305 0.2434 0.2191 0.0362 0.0342 -0.0040 175 ALA L C 3002 O O . ALA B 173 ? 0.2101 0.2321 0.2188 0.0409 0.0337 0.0047 175 ALA L O 3003 C CB . ALA B 173 ? 0.2882 0.3123 0.2664 0.0305 0.0185 -0.0075 175 ALA L CB 3004 N N . SER B 174 ? 0.1925 0.1978 0.1614 0.0334 0.0350 -0.0083 176 SER L N 3005 C CA . SER B 174 ? 0.2809 0.2875 0.2535 0.0365 0.0373 -0.0041 176 SER L CA 3006 C C . SER B 174 ? 0.3580 0.3636 0.3099 0.0346 0.0283 -0.0038 176 SER L C 3007 O O . SER B 174 ? 0.3860 0.3847 0.3158 0.0287 0.0246 -0.0070 176 SER L O 3008 C CB . SER B 174 ? 0.3203 0.3140 0.2980 0.0350 0.0559 -0.0074 176 SER L CB 3009 O OG . SER B 174 ? 0.4541 0.4302 0.4032 0.0263 0.0642 -0.0179 176 SER L OG 3010 N N . SER B 175 ? 0.3592 0.3714 0.3194 0.0384 0.0235 0.0013 177 SER L N 3011 C CA . SER B 175 ? 0.4247 0.4331 0.3721 0.0380 0.0167 0.0038 177 SER L CA 3012 C C . SER B 175 ? 0.3842 0.3864 0.3332 0.0367 0.0243 0.0068 177 SER L C 3013 O O . SER B 175 ? 0.3170 0.3257 0.2857 0.0382 0.0281 0.0084 177 SER L O 3014 C CB . SER B 175 ? 0.4449 0.4629 0.4026 0.0427 0.0067 0.0051 177 SER L CB 3015 O OG . SER B 175 ? 0.2879 0.3007 0.2397 0.0438 0.0005 0.0090 177 SER L OG 3016 N N . TYR B 176 ? 0.3791 0.3698 0.3080 0.0324 0.0254 0.0094 178 TYR L N 3017 C CA . TYR B 176 ? 0.4215 0.4050 0.3506 0.0297 0.0343 0.0131 178 TYR L CA 3018 C C . TYR B 176 ? 0.4904 0.4689 0.4155 0.0303 0.0252 0.0205 178 TYR L C 3019 O O . TYR B 176 ? 0.4929 0.4682 0.4049 0.0304 0.0148 0.0251 178 TYR L O 3020 C CB . TYR B 176 ? 0.3496 0.3197 0.2556 0.0216 0.0489 0.0106 178 TYR L CB 3021 C CG . TYR B 176 ? 0.3125 0.2825 0.2286 0.0214 0.0638 0.0022 178 TYR L CG 3022 C CD1 . TYR B 176 ? 0.3745 0.3419 0.2793 0.0193 0.0619 -0.0049 178 TYR L CD1 3023 C CD2 . TYR B 176 ? 0.2896 0.2618 0.2319 0.0232 0.0803 0.0021 178 TYR L CD2 3024 C CE1 . TYR B 176 ? 0.3648 0.3280 0.2825 0.0195 0.0776 -0.0126 178 TYR L CE1 3025 C CE2 . TYR B 176 ? 0.3726 0.3433 0.3326 0.0249 0.0957 -0.0039 178 TYR L CE2 3026 C CZ . TYR B 176 ? 0.3662 0.3304 0.3130 0.0233 0.0951 -0.0117 178 TYR L CZ 3027 O OH . TYR B 176 ? 0.3792 0.3380 0.3471 0.0253 0.1124 -0.0178 178 TYR L OH 3028 N N . LEU B 177 ? 0.4877 0.4658 0.4283 0.0303 0.0288 0.0226 179 LEU L N 3029 C CA . LEU B 177 ? 0.3748 0.3430 0.3142 0.0299 0.0239 0.0296 179 LEU L CA 3030 C C . LEU B 177 ? 0.4360 0.3935 0.3679 0.0227 0.0353 0.0357 179 LEU L C 3031 O O . LEU B 177 ? 0.3054 0.2668 0.2560 0.0201 0.0434 0.0341 179 LEU L O 3032 C CB . LEU B 177 ? 0.3235 0.2961 0.2851 0.0330 0.0191 0.0252 179 LEU L CB 3033 C CG . LEU B 177 ? 0.3606 0.3187 0.3268 0.0328 0.0170 0.0304 179 LEU L CG 3034 C CD1 . LEU B 177 ? 0.3397 0.2895 0.2955 0.0371 0.0094 0.0403 179 LEU L CD1 3035 C CD2 . LEU B 177 ? 0.3596 0.3186 0.3427 0.0337 0.0147 0.0210 179 LEU L CD2 3036 N N . SER B 178 ? 0.4855 0.4310 0.3897 0.0177 0.0355 0.0437 180 SER L N 3037 C CA . SER B 178 ? 0.5020 0.4349 0.3932 0.0091 0.0473 0.0514 180 SER L CA 3038 C C . SER B 178 ? 0.4949 0.4207 0.4048 0.0103 0.0433 0.0590 180 SER L C 3039 O O . SER B 178 ? 0.5137 0.4352 0.4294 0.0160 0.0301 0.0643 180 SER L O 3040 C CB . SER B 178 ? 0.6285 0.5493 0.4778 0.0005 0.0455 0.0603 180 SER L CB 3041 O OG . SER B 178 ? 0.8354 0.7582 0.6639 -0.0044 0.0535 0.0497 180 SER L OG 3042 N N . LEU B 179 ? 0.4918 0.4160 0.4154 0.0047 0.0561 0.0593 181 LEU L N 3043 C CA . LEU B 179 ? 0.4760 0.3936 0.4219 0.0038 0.0535 0.0627 181 LEU L CA 3044 C C . LEU B 179 ? 0.5122 0.4217 0.4597 -0.0066 0.0688 0.0702 181 LEU L C 3045 O O . LEU B 179 ? 0.5521 0.4692 0.5000 -0.0114 0.0842 0.0673 181 LEU L O 3046 C CB . LEU B 179 ? 0.4656 0.3983 0.4409 0.0067 0.0490 0.0500 181 LEU L CB 3047 C CG . LEU B 179 ? 0.4604 0.3853 0.4532 0.0064 0.0416 0.0464 181 LEU L CG 3048 C CD1 . LEU B 179 ? 0.5413 0.4551 0.5270 0.0153 0.0321 0.0483 181 LEU L CD1 3049 C CD2 . LEU B 179 ? 0.2701 0.2122 0.2818 0.0040 0.0374 0.0339 181 LEU L CD2 3050 N N . THR B 180 ? 0.4390 0.3320 0.3910 -0.0101 0.0669 0.0801 182 THR L N 3051 C CA . THR B 180 ? 0.4377 0.3232 0.3969 -0.0212 0.0816 0.0875 182 THR L CA 3052 C C . THR B 180 ? 0.4170 0.3165 0.4156 -0.0247 0.0836 0.0770 182 THR L C 3053 O O . THR B 180 ? 0.4430 0.3468 0.4571 -0.0206 0.0710 0.0674 182 THR L O 3054 C CB . THR B 180 ? 0.4493 0.3098 0.4015 -0.0249 0.0787 0.1042 182 THR L CB 3055 O OG1 . THR B 180 ? 0.4786 0.3318 0.4567 -0.0196 0.0675 0.0991 182 THR L OG1 3056 C CG2 . THR B 180 ? 0.4367 0.2864 0.3512 -0.0230 0.0709 0.1192 182 THR L CG2 3057 N N . PRO B 181 ? 0.4238 0.3314 0.4385 -0.0338 0.0997 0.0790 183 PRO L N 3058 C CA . PRO B 181 ? 0.3884 0.3136 0.4447 -0.0398 0.0988 0.0725 183 PRO L CA 3059 C C . PRO B 181 ? 0.4679 0.3795 0.5361 -0.0449 0.0869 0.0701 183 PRO L C 3060 O O . PRO B 181 ? 0.4322 0.3568 0.5223 -0.0486 0.0764 0.0597 183 PRO L O 3061 C CB . PRO B 181 ? 0.3618 0.2911 0.4331 -0.0500 0.1207 0.0804 183 PRO L CB 3062 C CG . PRO B 181 ? 0.4819 0.4038 0.5175 -0.0469 0.1356 0.0841 183 PRO L CG 3063 C CD . PRO B 181 ? 0.5095 0.4115 0.5050 -0.0406 0.1205 0.0877 183 PRO L CD 3064 N N . GLU B 182 ? 0.4577 0.3417 0.5104 -0.0463 0.0888 0.0799 184 GLU L N 3065 C CA . GLU B 182 ? 0.5559 0.4202 0.6218 -0.0508 0.0817 0.0769 184 GLU L CA 3066 C C . GLU B 182 ? 0.5195 0.3830 0.5822 -0.0415 0.0673 0.0627 184 GLU L C 3067 O O . GLU B 182 ? 0.4140 0.2769 0.4925 -0.0483 0.0616 0.0489 184 GLU L O 3068 C CB . GLU B 182 ? 0.5737 0.4069 0.6268 -0.0519 0.0871 0.0944 184 GLU L CB 3069 C CG . GLU B 182 ? 0.5794 0.3866 0.6515 -0.0565 0.0839 0.0916 184 GLU L CG 3070 C CD . GLU B 182 ? 0.5741 0.3855 0.6750 -0.0741 0.0894 0.0840 184 GLU L CD 3071 O OE1 . GLU B 182 ? 0.5606 0.3956 0.6710 -0.0818 0.0967 0.0862 184 GLU L OE1 3072 O OE2 . GLU B 182 ? 0.5881 0.3790 0.7049 -0.0811 0.0870 0.0754 184 GLU L OE2 3073 N N . GLN B 183 ? 0.4466 0.3100 0.4877 -0.0280 0.0622 0.0656 185 GLN L N 3074 C CA . GLN B 183 ? 0.4571 0.3227 0.4964 -0.0184 0.0515 0.0529 185 GLN L CA 3075 C C . GLN B 183 ? 0.4435 0.3344 0.4916 -0.0226 0.0464 0.0372 185 GLN L C 3076 O O . GLN B 183 ? 0.3751 0.2647 0.4268 -0.0240 0.0403 0.0228 185 GLN L O 3077 C CB . GLN B 183 ? 0.4344 0.3026 0.4524 -0.0051 0.0465 0.0605 185 GLN L CB 3078 C CG . GLN B 183 ? 0.4952 0.3400 0.5065 0.0001 0.0447 0.0783 185 GLN L CG 3079 C CD . GLN B 183 ? 0.5639 0.4163 0.5540 0.0095 0.0362 0.0875 185 GLN L CD 3080 O OE1 . GLN B 183 ? 0.5975 0.4648 0.5667 0.0072 0.0380 0.0875 185 GLN L OE1 3081 N NE2 . GLN B 183 ? 0.5493 0.3912 0.5481 0.0195 0.0274 0.0951 185 GLN L NE2 3082 N N . TRP B 184 ? 0.5004 0.4135 0.5522 -0.0253 0.0501 0.0409 186 TRP L N 3083 C CA . TRP B 184 ? 0.4295 0.3696 0.4944 -0.0286 0.0434 0.0322 186 TRP L CA 3084 C C . TRP B 184 ? 0.4125 0.3567 0.4981 -0.0445 0.0378 0.0250 186 TRP L C 3085 O O . TRP B 184 ? 0.4155 0.3703 0.5009 -0.0493 0.0264 0.0141 186 TRP L O 3086 C CB . TRP B 184 ? 0.4504 0.4111 0.5237 -0.0266 0.0518 0.0399 186 TRP L CB 3087 C CG . TRP B 184 ? 0.4004 0.3901 0.5009 -0.0318 0.0452 0.0376 186 TRP L CG 3088 C CD1 . TRP B 184 ? 0.4156 0.4238 0.5500 -0.0400 0.0510 0.0446 186 TRP L CD1 3089 C CD2 . TRP B 184 ? 0.3246 0.3301 0.4242 -0.0300 0.0307 0.0308 186 TRP L CD2 3090 N NE1 . TRP B 184 ? 0.2460 0.2818 0.4034 -0.0428 0.0383 0.0446 186 TRP L NE1 3091 C CE2 . TRP B 184 ? 0.3079 0.3414 0.4408 -0.0375 0.0255 0.0364 186 TRP L CE2 3092 C CE3 . TRP B 184 ? 0.2926 0.2921 0.3684 -0.0233 0.0222 0.0220 186 TRP L CE3 3093 C CZ2 . TRP B 184 ? 0.3282 0.3829 0.4667 -0.0393 0.0097 0.0355 186 TRP L CZ2 3094 C CZ3 . TRP B 184 ? 0.3239 0.3430 0.4025 -0.0257 0.0098 0.0186 186 TRP L CZ3 3095 C CH2 . TRP B 184 ? 0.3130 0.3588 0.4205 -0.0341 0.0025 0.0262 186 TRP L CH2 3096 N N . LYS B 185 ? 0.4776 0.4132 0.5787 -0.0549 0.0455 0.0314 187 LYS L N 3097 C CA . LYS B 185 ? 0.4968 0.4369 0.6195 -0.0735 0.0395 0.0250 187 LYS L CA 3098 C C . LYS B 185 ? 0.5397 0.4522 0.6504 -0.0796 0.0352 0.0102 187 LYS L C 3099 O O . LYS B 185 ? 0.5934 0.5119 0.7058 -0.0939 0.0248 -0.0033 187 LYS L O 3100 C CB . LYS B 185 ? 0.3445 0.2839 0.4912 -0.0838 0.0512 0.0368 187 LYS L CB 3101 C CG . LYS B 185 ? 0.3663 0.3315 0.5303 -0.0792 0.0612 0.0491 187 LYS L CG 3102 C CD . LYS B 185 ? 0.3457 0.3476 0.5342 -0.0816 0.0489 0.0473 187 LYS L CD 3103 C CE . LYS B 185 ? 0.3595 0.3750 0.5758 -0.1027 0.0352 0.0439 187 LYS L CE 3104 N NZ . LYS B 185 ? 0.3451 0.3994 0.5871 -0.1064 0.0190 0.0473 187 LYS L NZ 3105 N N . SER B 186 ? 0.5712 0.4527 0.6699 -0.0699 0.0437 0.0132 188 SER L N 3106 C CA . SER B 186 ? 0.5658 0.4155 0.6612 -0.0737 0.0453 -0.0001 188 SER L CA 3107 C C . SER B 186 ? 0.5447 0.3968 0.6247 -0.0721 0.0385 -0.0198 188 SER L C 3108 O O . SER B 186 ? 0.6557 0.4917 0.7335 -0.0857 0.0386 -0.0383 188 SER L O 3109 C CB . SER B 186 ? 0.4145 0.2338 0.5073 -0.0601 0.0546 0.0126 188 SER L CB 3110 O OG . SER B 186 ? 0.4597 0.2869 0.5370 -0.0412 0.0518 0.0190 188 SER L OG 3111 N N . HIS B 187 ? 0.4111 0.2813 0.4781 -0.0573 0.0343 -0.0168 189 HIS L N 3112 C CA . HIS B 187 ? 0.4637 0.3372 0.5147 -0.0554 0.0302 -0.0336 189 HIS L CA 3113 C C . HIS B 187 ? 0.5631 0.4626 0.6083 -0.0725 0.0178 -0.0425 189 HIS L C 3114 O O . HIS B 187 ? 0.6984 0.6253 0.7558 -0.0766 0.0103 -0.0303 189 HIS L O 3115 C CB . HIS B 187 ? 0.4731 0.3562 0.5145 -0.0348 0.0299 -0.0261 189 HIS L CB 3116 C CG . HIS B 187 ? 0.5091 0.3676 0.5550 -0.0196 0.0378 -0.0196 189 HIS L CG 3117 N ND1 . HIS B 187 ? 0.4805 0.3317 0.5316 -0.0125 0.0401 0.0006 189 HIS L ND1 3118 C CD2 . HIS B 187 ? 0.5284 0.3688 0.5767 -0.0107 0.0437 -0.0288 189 HIS L CD2 3119 C CE1 . HIS B 187 ? 0.4784 0.3098 0.5357 0.0000 0.0434 0.0063 189 HIS L CE1 3120 N NE2 . HIS B 187 ? 0.5167 0.3418 0.5771 0.0026 0.0466 -0.0114 189 HIS L NE2 3121 N N . ARG B 188 ? 0.4875 0.3783 0.5150 -0.0832 0.0165 -0.0629 190 ARG L N 3122 C CA . ARG B 188 ? 0.6102 0.5248 0.6252 -0.1029 0.0018 -0.0703 190 ARG L CA 3123 C C . ARG B 188 ? 0.6650 0.6136 0.6775 -0.0924 -0.0083 -0.0568 190 ARG L C 3124 O O . ARG B 188 ? 0.7168 0.6943 0.7345 -0.1045 -0.0236 -0.0493 190 ARG L O 3125 C CB . ARG B 188 ? 0.5792 0.4735 0.5656 -0.1170 0.0059 -0.0967 190 ARG L CB 3126 C CG . ARG B 188 ? 0.6133 0.4663 0.6031 -0.1252 0.0208 -0.1138 190 ARG L CG 3127 C CD . ARG B 188 ? 0.6999 0.5297 0.6597 -0.1373 0.0310 -0.1433 190 ARG L CD 3128 N NE . ARG B 188 ? 0.8698 0.6538 0.8401 -0.1355 0.0526 -0.1593 190 ARG L NE 3129 C CZ . ARG B 188 ? 1.0647 0.8217 1.0300 -0.1599 0.0578 -0.1790 190 ARG L CZ 3130 N NH1 . ARG B 188 ? 1.0783 0.8528 1.0259 -0.1899 0.0402 -0.1847 190 ARG L NH1 3131 N NH2 . ARG B 188 ? 1.2137 0.9261 1.1944 -0.1551 0.0801 -0.1921 190 ARG L NH2 3132 N N . SER B 189 ? 0.5282 0.4732 0.5362 -0.0705 -0.0005 -0.0526 191 SER L N 3133 C CA . SER B 189 ? 0.3874 0.3594 0.3931 -0.0602 -0.0074 -0.0416 191 SER L CA 3134 C C . SER B 189 ? 0.4441 0.4079 0.4463 -0.0380 0.0020 -0.0382 191 SER L C 3135 O O . SER B 189 ? 0.4714 0.4108 0.4726 -0.0304 0.0123 -0.0445 191 SER L O 3136 C CB . SER B 189 ? 0.4211 0.4063 0.4039 -0.0733 -0.0175 -0.0509 191 SER L CB 3137 O OG . SER B 189 ? 0.5388 0.5015 0.4988 -0.0723 -0.0065 -0.0699 191 SER L OG 3138 N N . TYR B 190 ? 0.4522 0.4370 0.4560 -0.0284 -0.0023 -0.0271 192 TYR L N 3139 C CA . TYR B 190 ? 0.4570 0.4384 0.4562 -0.0108 0.0035 -0.0239 192 TYR L CA 3140 C C . TYR B 190 ? 0.4005 0.3999 0.3891 -0.0096 -0.0020 -0.0250 192 TYR L C 3141 O O . TYR B 190 ? 0.4186 0.4377 0.4095 -0.0180 -0.0114 -0.0194 192 TYR L O 3142 C CB . TYR B 190 ? 0.3508 0.3347 0.3607 -0.0011 0.0069 -0.0091 192 TYR L CB 3143 C CG . TYR B 190 ? 0.3461 0.3077 0.3595 0.0020 0.0142 -0.0054 192 TYR L CG 3144 C CD1 . TYR B 190 ? 0.3739 0.3278 0.3982 -0.0083 0.0165 -0.0036 192 TYR L CD1 3145 C CD2 . TYR B 190 ? 0.3603 0.3099 0.3684 0.0141 0.0172 -0.0010 192 TYR L CD2 3146 C CE1 . TYR B 190 ? 0.2794 0.2113 0.3067 -0.0062 0.0234 0.0026 192 TYR L CE1 3147 C CE2 . TYR B 190 ? 0.4628 0.3925 0.4744 0.0164 0.0215 0.0071 192 TYR L CE2 3148 C CZ . TYR B 190 ? 0.5211 0.4406 0.5412 0.0064 0.0254 0.0090 192 TYR L CZ 3149 O OH . TYR B 190 ? 0.4662 0.3643 0.4897 0.0080 0.0298 0.0196 192 TYR L OH 3150 N N . SER B 191 ? 0.3485 0.3422 0.3289 0.0005 0.0033 -0.0300 193 SER L N 3151 C CA . SER B 191 ? 0.4444 0.4531 0.4142 0.0008 0.0001 -0.0309 193 SER L CA 3152 C C . SER B 191 ? 0.5054 0.5183 0.4801 0.0157 0.0027 -0.0238 193 SER L C 3153 O O . SER B 191 ? 0.5136 0.5150 0.4939 0.0254 0.0077 -0.0235 193 SER L O 3154 C CB . SER B 191 ? 0.2537 0.2542 0.2058 -0.0073 0.0056 -0.0476 193 SER L CB 3155 O OG . SER B 191 ? 0.4032 0.4016 0.3434 -0.0261 0.0009 -0.0554 193 SER L OG 3156 N N . CYS B 192 ? 0.3825 0.4120 0.3563 0.0160 -0.0021 -0.0168 194 CYS L N 3157 C CA . CYS B 192 ? 0.3347 0.3681 0.3105 0.0263 0.0000 -0.0127 194 CYS L CA 3158 C C . CYS B 192 ? 0.3745 0.4146 0.3406 0.0241 0.0015 -0.0185 194 CYS L C 3159 O O . CYS B 192 ? 0.3768 0.4276 0.3345 0.0151 -0.0033 -0.0163 194 CYS L O 3160 C CB . CYS B 192 ? 0.3050 0.3481 0.2899 0.0283 -0.0024 -0.0014 194 CYS L CB 3161 S SG . CYS B 192 ? 0.4709 0.5151 0.4556 0.0370 0.0005 0.0011 194 CYS L SG 3162 N N . GLN B 193 ? 0.2843 0.3194 0.2532 0.0315 0.0078 -0.0241 195 GLN L N 3163 C CA . GLN B 193 ? 0.2093 0.2500 0.1717 0.0294 0.0136 -0.0309 195 GLN L CA 3164 C C . GLN B 193 ? 0.2436 0.2939 0.2151 0.0366 0.0132 -0.0244 195 GLN L C 3165 O O . GLN B 193 ? 0.3632 0.4112 0.3484 0.0453 0.0136 -0.0227 195 GLN L O 3166 C CB . GLN B 193 ? 0.2830 0.3110 0.2484 0.0307 0.0253 -0.0446 195 GLN L CB 3167 C CG . GLN B 193 ? 0.4028 0.4174 0.3568 0.0205 0.0273 -0.0544 195 GLN L CG 3168 C CD . GLN B 193 ? 0.5013 0.4997 0.4571 0.0199 0.0438 -0.0718 195 GLN L CD 3169 O OE1 . GLN B 193 ? 0.5786 0.5707 0.5589 0.0330 0.0518 -0.0721 195 GLN L OE1 3170 N NE2 . GLN B 193 ? 0.4322 0.4233 0.3631 0.0036 0.0493 -0.0862 195 GLN L NE2 3171 N N . VAL B 194 ? 0.2231 0.2844 0.1875 0.0313 0.0108 -0.0193 196 VAL L N 3172 C CA . VAL B 194 ? 0.2457 0.3145 0.2186 0.0355 0.0106 -0.0136 196 VAL L CA 3173 C C . VAL B 194 ? 0.2683 0.3442 0.2386 0.0323 0.0190 -0.0185 196 VAL L C 3174 O O . VAL B 194 ? 0.2770 0.3573 0.2308 0.0227 0.0206 -0.0181 196 VAL L O 3175 C CB . VAL B 194 ? 0.2996 0.3733 0.2730 0.0327 0.0045 -0.0022 196 VAL L CB 3176 C CG1 . VAL B 194 ? 0.2144 0.2910 0.1969 0.0357 0.0058 0.0015 196 VAL L CG1 3177 C CG2 . VAL B 194 ? 0.3023 0.3698 0.2807 0.0349 0.0007 0.0016 196 VAL L CG2 3178 N N . THR B 195 ? 0.2353 0.3137 0.2226 0.0391 0.0240 -0.0219 197 THR L N 3179 C CA . THR B 195 ? 0.1796 0.2664 0.1716 0.0369 0.0353 -0.0268 197 THR L CA 3180 C C . THR B 195 ? 0.2477 0.3450 0.2498 0.0364 0.0322 -0.0184 197 THR L C 3181 O O . THR B 195 ? 0.2106 0.3086 0.2257 0.0410 0.0238 -0.0135 197 THR L O 3182 C CB . THR B 195 ? 0.2254 0.3107 0.2403 0.0449 0.0452 -0.0352 197 THR L CB 3183 O OG1 . THR B 195 ? 0.2747 0.3459 0.2801 0.0439 0.0514 -0.0452 197 THR L OG1 3184 C CG2 . THR B 195 ? 0.1947 0.2905 0.2206 0.0429 0.0607 -0.0405 197 THR L CG2 3185 N N . HIS B 196 ? 0.2182 0.3222 0.2109 0.0284 0.0393 -0.0169 198 HIS L N 3186 C CA . HIS B 196 ? 0.1728 0.2845 0.1747 0.0257 0.0377 -0.0085 198 HIS L CA 3187 C C . HIS B 196 ? 0.2247 0.3457 0.2258 0.0190 0.0524 -0.0110 198 HIS L C 3188 O O . HIS B 196 ? 0.2137 0.3332 0.1890 0.0096 0.0586 -0.0114 198 HIS L O 3189 C CB . HIS B 196 ? 0.3028 0.4098 0.2925 0.0214 0.0286 0.0030 198 HIS L CB 3190 C CG . HIS B 196 ? 0.3085 0.4182 0.3094 0.0183 0.0283 0.0114 198 HIS L CG 3191 N ND1 . HIS B 196 ? 0.3062 0.4204 0.2998 0.0098 0.0332 0.0202 198 HIS L ND1 3192 C CD2 . HIS B 196 ? 0.2619 0.3684 0.2786 0.0207 0.0241 0.0122 198 HIS L CD2 3193 C CE1 . HIS B 196 ? 0.3218 0.4346 0.3310 0.0084 0.0327 0.0263 198 HIS L CE1 3194 N NE2 . HIS B 196 ? 0.2112 0.3189 0.2335 0.0143 0.0274 0.0200 198 HIS L NE2 3195 N N . GLU B 197 ? 0.2979 0.4293 0.3266 0.0218 0.0576 -0.0121 199 GLU L N 3196 C CA . GLU B 197 ? 0.2956 0.4376 0.3302 0.0156 0.0747 -0.0144 199 GLU L CA 3197 C C . GLU B 197 ? 0.2946 0.4324 0.3101 0.0117 0.0924 -0.0265 199 GLU L C 3198 O O . GLU B 197 ? 0.2644 0.4033 0.2558 -0.0003 0.1047 -0.0266 199 GLU L O 3199 C CB . GLU B 197 ? 0.3462 0.4898 0.3680 0.0050 0.0737 -0.0024 199 GLU L CB 3200 C CG . GLU B 197 ? 0.2794 0.4240 0.3221 0.0064 0.0616 0.0058 199 GLU L CG 3201 C CD . GLU B 197 ? 0.2176 0.3760 0.2975 0.0100 0.0631 0.0016 199 GLU L CD 3202 O OE1 . GLU B 197 ? 0.2184 0.3890 0.3145 0.0102 0.0783 -0.0039 199 GLU L OE1 3203 O OE2 . GLU B 197 ? 0.2739 0.4314 0.3676 0.0114 0.0495 0.0039 199 GLU L OE2 3204 N N . GLY B 198 ? 0.3214 0.4522 0.3452 0.0202 0.0943 -0.0368 200 GLY L N 3205 C CA . GLY B 198 ? 0.3797 0.5027 0.3908 0.0167 0.1150 -0.0528 200 GLY L CA 3206 C C . GLY B 198 ? 0.4722 0.5802 0.4378 0.0065 0.1108 -0.0576 200 GLY L C 3207 O O . GLY B 198 ? 0.6367 0.7332 0.5878 0.0021 0.1265 -0.0739 200 GLY L O 3208 N N . SER B 199 ? 0.3885 0.4964 0.3345 0.0020 0.0903 -0.0437 201 SER L N 3209 C CA . SER B 199 ? 0.3744 0.4729 0.2829 -0.0089 0.0818 -0.0443 201 SER L CA 3210 C C . SER B 199 ? 0.4098 0.5027 0.3289 -0.0001 0.0630 -0.0388 201 SER L C 3211 O O . SER B 199 ? 0.4436 0.5410 0.3831 0.0086 0.0510 -0.0271 201 SER L O 3212 C CB . SER B 199 ? 0.3387 0.4438 0.2169 -0.0240 0.0745 -0.0297 201 SER L CB 3213 O OG . SER B 199 ? 0.4534 0.5620 0.3145 -0.0352 0.0940 -0.0350 201 SER L OG 3214 N N . THR B 200 ? 0.4701 0.5517 0.3738 -0.0042 0.0625 -0.0487 202 THR L N 3215 C CA . THR B 200 ? 0.4434 0.5191 0.3575 0.0029 0.0479 -0.0443 202 THR L CA 3216 C C . THR B 200 ? 0.3081 0.3852 0.1981 -0.0097 0.0330 -0.0361 202 THR L C 3217 O O . THR B 200 ? 0.3426 0.4179 0.2009 -0.0261 0.0351 -0.0421 202 THR L O 3218 C CB . THR B 200 ? 0.4755 0.5367 0.4021 0.0098 0.0572 -0.0592 202 THR L CB 3219 O OG1 . THR B 200 ? 0.5414 0.6048 0.4975 0.0214 0.0702 -0.0639 202 THR L OG1 3220 C CG2 . THR B 200 ? 0.4882 0.5439 0.4279 0.0176 0.0432 -0.0520 202 THR L CG2 3221 N N . VAL B 201 ? 0.2864 0.3673 0.1923 -0.0032 0.0184 -0.0221 203 VAL L N 3222 C CA . VAL B 201 ? 0.3216 0.4075 0.2189 -0.0122 0.0031 -0.0110 203 VAL L CA 3223 C C . VAL B 201 ? 0.3631 0.4408 0.2726 -0.0075 -0.0011 -0.0151 203 VAL L C 3224 O O . VAL B 201 ? 0.3844 0.4569 0.3153 0.0059 0.0009 -0.0145 203 VAL L O 3225 C CB . VAL B 201 ? 0.2778 0.3746 0.1914 -0.0084 -0.0071 0.0098 203 VAL L CB 3226 C CG1 . VAL B 201 ? 0.3525 0.4568 0.2720 -0.0142 -0.0227 0.0238 203 VAL L CG1 3227 C CG2 . VAL B 201 ? 0.2677 0.3721 0.1678 -0.0158 -0.0044 0.0173 203 VAL L CG2 3228 N N . GLU B 202 ? 0.3975 0.4737 0.2910 -0.0209 -0.0074 -0.0187 204 GLU L N 3229 C CA . GLU B 202 ? 0.3936 0.4602 0.2979 -0.0189 -0.0091 -0.0242 204 GLU L CA 3230 C C . GLU B 202 ? 0.3979 0.4761 0.3121 -0.0259 -0.0253 -0.0096 204 GLU L C 3231 O O . GLU B 202 ? 0.4670 0.5587 0.3687 -0.0404 -0.0376 -0.0004 204 GLU L O 3232 C CB . GLU B 202 ? 0.4085 0.4590 0.2925 -0.0289 0.0008 -0.0451 204 GLU L CB 3233 C CG . GLU B 202 ? 0.6416 0.6768 0.5406 -0.0244 0.0032 -0.0518 204 GLU L CG 3234 C CD . GLU B 202 ? 0.8111 0.8296 0.6891 -0.0401 0.0100 -0.0714 204 GLU L CD 3235 O OE1 . GLU B 202 ? 0.8116 0.8097 0.6991 -0.0328 0.0247 -0.0850 204 GLU L OE1 3236 O OE2 . GLU B 202 ? 0.9435 0.9687 0.7962 -0.0608 0.0002 -0.0726 204 GLU L OE2 3237 N N . LYS B 203 ? 0.3601 0.4345 0.2987 -0.0164 -0.0252 -0.0061 205 LYS L N 3238 C CA . LYS B 203 ? 0.3742 0.4595 0.3308 -0.0220 -0.0368 0.0061 205 LYS L CA 3239 C C . LYS B 203 ? 0.3806 0.4524 0.3435 -0.0229 -0.0326 -0.0030 205 LYS L C 3240 O O . LYS B 203 ? 0.3439 0.3996 0.3098 -0.0117 -0.0211 -0.0107 205 LYS L O 3241 C CB . LYS B 203 ? 0.3410 0.4364 0.3275 -0.0098 -0.0375 0.0229 205 LYS L CB 3242 C CG . LYS B 203 ? 0.3775 0.4883 0.3669 -0.0117 -0.0455 0.0381 205 LYS L CG 3243 C CD . LYS B 203 ? 0.3602 0.4888 0.3449 -0.0296 -0.0638 0.0496 205 LYS L CD 3244 C CE . LYS B 203 ? 0.3666 0.5124 0.3657 -0.0299 -0.0742 0.0728 205 LYS L CE 3245 N NZ . LYS B 203 ? 0.4600 0.5997 0.4354 -0.0281 -0.0673 0.0696 205 LYS L NZ 3246 N N . THR B 204 ? 0.3564 0.4359 0.3231 -0.0376 -0.0433 -0.0001 206 THR L N 3247 C CA . THR B 204 ? 0.2588 0.3248 0.2317 -0.0418 -0.0395 -0.0085 206 THR L CA 3248 C C . THR B 204 ? 0.2784 0.3608 0.2823 -0.0468 -0.0488 0.0062 206 THR L C 3249 O O . THR B 204 ? 0.2617 0.3674 0.2758 -0.0568 -0.0643 0.0197 206 THR L O 3250 C CB . THR B 204 ? 0.3690 0.4216 0.3127 -0.0599 -0.0397 -0.0272 206 THR L CB 3251 O OG1 . THR B 204 ? 0.4953 0.5322 0.4171 -0.0538 -0.0263 -0.0418 206 THR L OG1 3252 C CG2 . THR B 204 ? 0.3604 0.3954 0.3136 -0.0646 -0.0346 -0.0358 206 THR L CG2 3253 N N . VAL B 205 ? 0.2864 0.3577 0.3079 -0.0402 -0.0391 0.0057 207 VAL L N 3254 C CA . VAL B 205 ? 0.2476 0.3329 0.3021 -0.0457 -0.0434 0.0176 207 VAL L CA 3255 C C . VAL B 205 ? 0.3409 0.4086 0.3943 -0.0550 -0.0388 0.0075 207 VAL L C 3256 O O . VAL B 205 ? 0.3582 0.3999 0.3952 -0.0486 -0.0268 -0.0040 207 VAL L O 3257 C CB . VAL B 205 ? 0.2642 0.3545 0.3467 -0.0291 -0.0319 0.0298 207 VAL L CB 3258 C CG1 . VAL B 205 ? 0.2536 0.3621 0.3475 -0.0221 -0.0369 0.0419 207 VAL L CG1 3259 C CG2 . VAL B 205 ? 0.1988 0.2636 0.2643 -0.0159 -0.0154 0.0212 207 VAL L CG2 3260 N N . ALA B 206 ? 0.3033 0.3859 0.3783 -0.0707 -0.0489 0.0137 208 ALA L N 3261 C CA . ALA B 206 ? 0.3718 0.4378 0.4484 -0.0828 -0.0453 0.0045 208 ALA L CA 3262 C C . ALA B 206 ? 0.4894 0.5688 0.6081 -0.0838 -0.0418 0.0188 208 ALA L C 3263 O O . ALA B 206 ? 0.4910 0.6013 0.6421 -0.0881 -0.0524 0.0342 208 ALA L O 3264 C CB . ALA B 206 ? 0.3599 0.4268 0.4162 -0.1081 -0.0605 -0.0071 208 ALA L CB 3265 N N . PRO B 207 ? 0.6400 0.6966 0.7614 -0.0805 -0.0264 0.0151 209 PRO L N # 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 GLN 1 1 1 GLN GLN H . n A 1 2 MET 2 2 2 MET MET H . n A 1 3 GLN 3 3 3 GLN GLN H . n A 1 4 LEU 4 4 4 LEU LEU H . n A 1 5 GLN 5 5 5 GLN GLN H . n A 1 6 GLU 6 6 6 GLU GLU H . n A 1 7 SER 7 7 7 SER SER H . n A 1 8 GLY 8 8 8 GLY GLY H . n A 1 9 PRO 9 9 9 PRO PRO H . n A 1 10 GLY 10 10 10 GLY GLY H . n A 1 11 LEU 11 11 11 LEU LEU H . n A 1 12 VAL 12 12 12 VAL VAL H . n A 1 13 LYS 13 13 13 LYS LYS H . n A 1 14 PRO 14 14 14 PRO PRO H . n A 1 15 SER 15 15 15 SER SER H . n A 1 16 GLU 16 16 16 GLU GLU H . n A 1 17 THR 17 17 17 THR THR H . n A 1 18 LEU 18 18 18 LEU LEU H . n A 1 19 SER 19 19 19 SER SER H . n A 1 20 LEU 20 20 20 LEU LEU H . n A 1 21 THR 21 21 21 THR THR H . n A 1 22 CYS 22 22 22 CYS CYS H . n A 1 23 SER 23 23 23 SER SER H . n A 1 24 VAL 24 24 24 VAL VAL H . n A 1 25 SER 25 25 25 SER SER H . n A 1 26 GLY 26 26 26 GLY GLY H . n A 1 27 ALA 27 27 27 ALA ALA H . n A 1 28 SER 28 28 28 SER SER H . n A 1 29 ILE 29 29 29 ILE ILE H . n A 1 30 SER 30 30 30 SER SER H . n A 1 31 ASP 31 31 31 ASP ASP H . n A 1 32 SER 32 32 32 SER SER H . n A 1 33 TYR 33 33 33 TYR TYR H . n A 1 34 TRP 34 34 34 TRP TRP H . n A 1 35 SER 35 35 35 SER SER H . n A 1 36 TRP 36 36 36 TRP TRP H . n A 1 37 ILE 37 37 37 ILE ILE H . n A 1 38 ARG 38 38 38 ARG ARG H . n A 1 39 ARG 39 39 39 ARG ARG H . n A 1 40 SER 40 40 40 SER SER H . n A 1 41 PRO 41 41 41 PRO PRO H . n A 1 42 GLY 42 42 42 GLY GLY H . n A 1 43 LYS 43 43 43 LYS LYS H . n A 1 44 GLY 44 44 44 GLY GLY H . n A 1 45 LEU 45 45 45 LEU LEU H . n A 1 46 GLU 46 46 46 GLU GLU H . n A 1 47 TRP 47 47 47 TRP TRP H . n A 1 48 ILE 48 48 48 ILE ILE H . n A 1 49 GLY 49 49 49 GLY GLY H . n A 1 50 TYR 50 50 50 TYR TYR H . n A 1 51 VAL 51 51 51 VAL VAL H . n A 1 52 HIS 52 52 52 HIS HIS H . n A 1 53 LYS 53 53 53 LYS LYS H . n A 1 54 SER 54 54 54 SER SER H . n A 1 55 GLY 55 55 55 GLY GLY H . n A 1 56 ASP 56 56 56 ASP ASP H . n A 1 57 THR 57 57 57 THR THR H . n A 1 58 ASN 58 58 58 ASN ASN H . n A 1 59 TYR 59 59 59 TYR TYR H . n A 1 60 SER 60 60 60 SER SER H . n A 1 61 PRO 61 61 61 PRO PRO H . n A 1 62 SER 62 62 62 SER SER H . n A 1 63 LEU 63 63 63 LEU LEU H . n A 1 64 LYS 64 64 64 LYS LYS H . n A 1 65 SER 65 65 65 SER SER H . n A 1 66 ARG 66 66 66 ARG ARG H . n A 1 67 VAL 67 67 67 VAL VAL H . n A 1 68 ASN 68 68 68 ASN ASN H . n A 1 69 LEU 69 69 69 LEU LEU H . n A 1 70 SER 70 70 70 SER SER H . n A 1 71 LEU 71 71 71 LEU LEU H . n A 1 72 ASP 72 72 72 ASP ASP H . n A 1 73 THR 73 73 73 THR THR H . n A 1 74 SER 74 74 74 SER SER H . n A 1 75 LYS 75 75 75 LYS LYS H . n A 1 76 ASN 76 76 76 ASN ASN H . n A 1 77 GLN 77 77 77 GLN GLN H . n A 1 78 VAL 78 78 78 VAL VAL H . n A 1 79 SER 79 79 79 SER SER H . n A 1 80 LEU 80 80 80 LEU LEU H . n A 1 81 SER 81 81 81 SER SER H . n A 1 82 LEU 82 82 82 LEU LEU H . n A 1 83 VAL 83 82 82 VAL VAL H A n A 1 84 ALA 84 82 82 ALA ALA H B n A 1 85 ALA 85 82 82 ALA ALA H C n A 1 86 THR 86 83 83 THR THR H . n A 1 87 ALA 87 84 84 ALA ALA H . n A 1 88 ALA 88 85 85 ALA ALA H . n A 1 89 ASP 89 86 86 ASP ASP H . n A 1 90 SER 90 87 87 SER SER H . n A 1 91 GLY 91 88 88 GLY GLY H . n A 1 92 LYS 92 89 89 LYS LYS H . n A 1 93 TYR 93 90 90 TYR TYR H . n A 1 94 TYR 94 91 91 TYR TYR H . n A 1 95 CYS 95 92 92 CYS CYS H . n A 1 96 ALA 96 93 93 ALA ALA H . n A 1 97 ARG 97 94 94 ARG ARG H . n A 1 98 THR 98 95 95 THR THR H . n A 1 99 LEU 99 96 96 LEU LEU H . n A 1 100 HIS 100 97 97 HIS HIS H . n A 1 101 GLY 101 98 98 GLY GLY H . n A 1 102 ARG 102 99 99 ARG ARG H . n A 1 103 ARG 103 100 100 ARG ARG H . n A 1 104 ILE 104 100 100 ILE ILE H A n A 1 105 TYR 105 100 100 TYR TYR H B n A 1 106 GLY 106 100 100 GLY GLY H C n A 1 107 ILE 107 100 100 ILE ILE H D n A 1 108 VAL 108 100 100 VAL VAL H E n A 1 109 ALA 109 100 100 ALA ALA H F n A 1 110 PHE 110 100 100 PHE PHE H G n A 1 111 ASN 111 100 100 ASN ASN H H n A 1 112 GLU 112 100 100 GLU GLU H I n A 1 113 TRP 113 100 100 TRP TRP H J n A 1 114 PHE 114 100 100 PHE PHE H K n A 1 115 THR 115 100 100 THR THR H L n A 1 116 TYR 116 100 100 TYR TYR H M n A 1 117 PHE 117 100 100 PHE PHE H N n A 1 118 TYR 118 100 100 TYR TYR H O n A 1 119 MET 119 100 100 MET MET H P n A 1 120 ASP 120 101 101 ASP ASP H . n A 1 121 VAL 121 102 102 VAL VAL H . n A 1 122 TRP 122 103 103 TRP TRP H . n A 1 123 GLY 123 104 104 GLY GLY H . n A 1 124 ASN 124 105 105 ASN ASN H . n A 1 125 GLY 125 106 106 GLY GLY H . n A 1 126 THR 126 107 107 THR THR H . n A 1 127 GLN 127 108 108 GLN GLN H . n A 1 128 VAL 128 109 109 VAL VAL H . n A 1 129 THR 129 110 110 THR THR H . n A 1 130 VAL 130 111 111 VAL VAL H . n A 1 131 SER 131 112 112 SER SER H . n A 1 132 SER 132 113 113 SER SER H . n A 1 133 ALA 133 114 114 ALA ALA H . n A 1 134 SER 134 115 115 SER SER H . n A 1 135 THR 135 116 116 THR THR H . n A 1 136 LYS 136 117 117 LYS LYS H . n A 1 137 GLY 137 118 118 GLY GLY H . n A 1 138 PRO 138 119 119 PRO PRO H . n A 1 139 SER 139 120 120 SER SER H . n A 1 140 VAL 140 121 121 VAL VAL H . n A 1 141 PHE 141 122 122 PHE PHE H . n A 1 142 PRO 142 123 123 PRO PRO H . n A 1 143 LEU 143 124 124 LEU LEU H . n A 1 144 ALA 144 125 125 ALA ALA H . n A 1 145 PRO 145 126 126 PRO PRO H . n A 1 146 SER 146 127 ? ? ? H . n A 1 147 SER 147 128 ? ? ? H . n A 1 148 LYS 148 129 ? ? ? H . n A 1 149 SER 149 130 ? ? ? H . n A 1 150 THR 150 131 ? ? ? H . n A 1 151 SER 151 132 132 SER SER H . n A 1 152 GLY 152 133 133 GLY GLY H . n A 1 153 GLY 153 134 134 GLY GLY H . n A 1 154 THR 154 135 135 THR THR H . n A 1 155 ALA 155 136 136 ALA ALA H . n A 1 156 ALA 156 137 137 ALA ALA H . n A 1 157 LEU 157 138 138 LEU LEU H . n A 1 158 GLY 158 139 139 GLY GLY H . n A 1 159 CYS 159 140 140 CYS CYS H . n A 1 160 LEU 160 141 141 LEU LEU H . n A 1 161 VAL 161 142 142 VAL VAL H . n A 1 162 LYS 162 143 143 LYS LYS H . n A 1 163 ASP 163 144 144 ASP ASP H . n A 1 164 TYR 164 145 145 TYR TYR H . n A 1 165 PHE 165 146 146 PHE PHE H . n A 1 166 PRO 166 147 147 PRO PRO H . n A 1 167 GLU 167 148 148 GLU GLU H . n A 1 168 PRO 168 149 149 PRO PRO H . n A 1 169 VAL 169 150 150 VAL VAL H . n A 1 170 THR 170 151 151 THR THR H . n A 1 171 VAL 171 152 152 VAL VAL H . n A 1 172 SER 172 153 153 SER SER H . n A 1 173 TRP 173 154 154 TRP TRP H . n A 1 174 ASN 174 155 155 ASN ASN H . n A 1 175 SER 175 156 156 SER SER H . n A 1 176 GLY 176 157 157 GLY GLY H . n A 1 177 ALA 177 158 158 ALA ALA H . n A 1 178 LEU 178 159 159 LEU LEU H . n A 1 179 THR 179 160 160 THR THR H . n A 1 180 SER 180 161 161 SER SER H . n A 1 181 GLY 181 162 162 GLY GLY H . n A 1 182 VAL 182 163 163 VAL VAL H . n A 1 183 HIS 183 164 164 HIS HIS H . n A 1 184 THR 184 165 165 THR THR H . n A 1 185 PHE 185 166 166 PHE PHE H . n A 1 186 PRO 186 167 167 PRO PRO H . n A 1 187 ALA 187 168 168 ALA ALA H . n A 1 188 VAL 188 169 169 VAL VAL H . n A 1 189 LEU 189 170 170 LEU LEU H . n A 1 190 GLN 190 171 171 GLN GLN H . n A 1 191 SER 191 172 172 SER SER H . n A 1 192 SER 192 173 173 SER SER H . n A 1 193 GLY 193 174 174 GLY GLY H . n A 1 194 LEU 194 175 175 LEU LEU H . n A 1 195 TYR 195 176 176 TYR TYR H . n A 1 196 SER 196 177 177 SER SER H . n A 1 197 LEU 197 178 178 LEU LEU H . n A 1 198 SER 198 179 179 SER SER H . n A 1 199 SER 199 180 180 SER SER H . n A 1 200 VAL 200 181 181 VAL VAL H . n A 1 201 VAL 201 182 182 VAL VAL H . n A 1 202 THR 202 183 183 THR THR H . n A 1 203 VAL 203 184 184 VAL VAL H . n A 1 204 PRO 204 185 185 PRO PRO H . n A 1 205 SER 205 186 186 SER SER H . n A 1 206 SER 206 187 187 SER SER H . n A 1 207 SER 207 188 188 SER SER H . n A 1 208 LEU 208 189 189 LEU LEU H . n A 1 209 GLY 209 190 190 GLY GLY H . n A 1 210 THR 210 191 191 THR THR H . n A 1 211 GLN 211 192 192 GLN GLN H . n A 1 212 THR 212 193 193 THR THR H . n A 1 213 TYR 213 194 194 TYR TYR H . n A 1 214 ILE 214 195 195 ILE ILE H . n A 1 215 CYS 215 196 196 CYS CYS H . n A 1 216 ASN 216 197 197 ASN ASN H . n A 1 217 VAL 217 198 198 VAL VAL H . n A 1 218 ASN 218 199 199 ASN ASN H . n A 1 219 HIS 219 200 200 HIS HIS H . n A 1 220 LYS 220 201 201 LYS LYS H . n A 1 221 PRO 221 202 202 PRO PRO H . n A 1 222 SER 222 203 203 SER SER H . n A 1 223 ASN 223 204 204 ASN ASN H . n A 1 224 THR 224 205 205 THR THR H . n A 1 225 LYS 225 206 206 LYS LYS H . n A 1 226 VAL 226 207 207 VAL VAL H . n A 1 227 ASP 227 208 208 ASP ASP H . n A 1 228 LYS 228 209 209 LYS LYS H . n A 1 229 ARG 229 210 210 ARG ARG H . n A 1 230 VAL 230 211 211 VAL VAL H . n A 1 231 GLU 231 212 212 GLU GLU H . n A 1 232 PRO 232 213 213 PRO PRO H . n A 1 233 LYS 233 214 ? ? ? H . n A 1 234 SER 234 215 ? ? ? H . n A 1 235 CYS 235 216 ? ? ? H . n A 1 236 ASP 236 217 ? ? ? H . n A 1 237 LYS 237 218 ? ? ? H . n A 1 238 THR 238 219 ? ? ? H . n A 1 239 HIS 239 220 ? ? ? H . n A 1 240 HIS 240 221 ? ? ? H . n A 1 241 HIS 241 222 ? ? ? H . n A 1 242 HIS 242 223 ? ? ? H . n A 1 243 HIS 243 224 ? ? ? H . n A 1 244 HIS 244 225 ? ? ? H . n B 2 1 SER 1 9 ? ? ? L . n B 2 2 ASP 2 10 10 ASP ASP L . n B 2 3 ILE 3 11 11 ILE ILE L . n B 2 4 SER 4 12 12 SER SER L . n B 2 5 VAL 5 13 13 VAL VAL L . n B 2 6 ALA 6 14 14 ALA ALA L . n B 2 7 PRO 7 15 15 PRO PRO L . n B 2 8 GLY 8 16 16 GLY GLY L . n B 2 9 GLU 9 17 17 GLU GLU L . n B 2 10 THR 10 18 18 THR THR L . n B 2 11 ALA 11 19 19 ALA ALA L . n B 2 12 ARG 12 20 20 ARG ARG L . n B 2 13 ILE 13 21 21 ILE ILE L . n B 2 14 SER 14 22 22 SER SER L . n B 2 15 CYS 15 23 23 CYS CYS L . n B 2 16 GLY 16 24 24 GLY GLY L . n B 2 17 GLU 17 25 25 GLU GLU L . n B 2 18 LYS 18 26 26 LYS LYS L . n B 2 19 SER 19 27 27 SER SER L . n B 2 20 LEU 20 28 28 LEU LEU L . n B 2 21 GLY 21 29 29 GLY GLY L . n B 2 22 SER 22 30 30 SER SER L . n B 2 23 ARG 23 31 31 ARG ARG L . n B 2 24 ALA 24 32 32 ALA ALA L . n B 2 25 VAL 25 33 33 VAL VAL L . n B 2 26 GLN 26 34 34 GLN GLN L . n B 2 27 TRP 27 35 35 TRP TRP L . n B 2 28 TYR 28 36 36 TYR TYR L . n B 2 29 GLN 29 37 37 GLN GLN L . n B 2 30 HIS 30 38 38 HIS HIS L . n B 2 31 ARG 31 39 39 ARG ARG L . n B 2 32 ALA 32 40 40 ALA ALA L . n B 2 33 GLY 33 41 41 GLY GLY L . n B 2 34 GLN 34 42 42 GLN GLN L . n B 2 35 ALA 35 43 43 ALA ALA L . n B 2 36 PRO 36 44 44 PRO PRO L . n B 2 37 SER 37 45 45 SER SER L . n B 2 38 LEU 38 46 46 LEU LEU L . n B 2 39 ILE 39 47 47 ILE ILE L . n B 2 40 ILE 40 48 48 ILE ILE L . n B 2 41 TYR 41 49 49 TYR TYR L . n B 2 42 ASN 42 50 50 ASN ASN L . n B 2 43 ASN 43 51 51 ASN ASN L . n B 2 44 GLN 44 52 52 GLN GLN L . n B 2 45 ASP 45 53 53 ASP ASP L . n B 2 46 ARG 46 54 54 ARG ARG L . n B 2 47 PRO 47 55 55 PRO PRO L . n B 2 48 SER 48 56 56 SER SER L . n B 2 49 GLY 49 57 57 GLY GLY L . n B 2 50 ILE 50 58 58 ILE ILE L . n B 2 51 PRO 51 59 59 PRO PRO L . n B 2 52 GLU 52 60 60 GLU GLU L . n B 2 53 ARG 53 61 61 ARG ARG L . n B 2 54 PHE 54 62 62 PHE PHE L . n B 2 55 SER 55 63 63 SER SER L . n B 2 56 GLY 56 64 64 GLY GLY L . n B 2 57 SER 57 65 65 SER SER L . n B 2 58 PRO 58 66 66 PRO PRO L . n B 2 59 ASP 59 66 66 ASP ASP L A n B 2 60 SER 60 66 66 SER SER L B n B 2 61 PRO 61 66 66 PRO PRO L C n B 2 62 PHE 62 67 67 PHE PHE L . n B 2 63 GLY 63 68 68 GLY GLY L . n B 2 64 THR 64 69 69 THR THR L . n B 2 65 THR 65 70 70 THR THR L . n B 2 66 ALA 66 71 71 ALA ALA L . n B 2 67 THR 67 72 72 THR THR L . n B 2 68 LEU 68 73 73 LEU LEU L . n B 2 69 THR 69 74 74 THR THR L . n B 2 70 ILE 70 75 75 ILE ILE L . n B 2 71 THR 71 76 76 THR THR L . n B 2 72 SER 72 77 77 SER SER L . n B 2 73 VAL 73 78 78 VAL VAL L . n B 2 74 GLU 74 79 79 GLU GLU L . n B 2 75 ALA 75 80 80 ALA ALA L . n B 2 76 GLY 76 81 81 GLY GLY L . n B 2 77 ASP 77 82 82 ASP ASP L . n B 2 78 GLU 78 83 83 GLU GLU L . n B 2 79 ALA 79 84 84 ALA ALA L . n B 2 80 ASP 80 85 85 ASP ASP L . n B 2 81 TYR 81 86 86 TYR TYR L . n B 2 82 TYR 82 87 87 TYR TYR L . n B 2 83 CYS 83 88 88 CYS CYS L . n B 2 84 HIS 84 89 89 HIS HIS L . n B 2 85 ILE 85 90 90 ILE ILE L . n B 2 86 TRP 86 91 91 TRP TRP L . n B 2 87 ASP 87 92 92 ASP ASP L . n B 2 88 SER 88 93 93 SER SER L . n B 2 89 ARG 89 94 94 ARG ARG L . n B 2 90 VAL 90 95 95 VAL VAL L . n B 2 91 PRO 91 95 95 PRO PRO L A n B 2 92 THR 92 95 95 THR THR L B n B 2 93 LYS 93 95 95 LYS LYS L C n B 2 94 TRP 94 96 96 TRP TRP L . n B 2 95 VAL 95 97 97 VAL VAL L . n B 2 96 PHE 96 98 98 PHE PHE L . n B 2 97 GLY 97 99 99 GLY GLY L . n B 2 98 GLY 98 100 100 GLY GLY L . n B 2 99 GLY 99 101 101 GLY GLY L . n B 2 100 THR 100 102 102 THR THR L . n B 2 101 THR 101 103 103 THR THR L . n B 2 102 LEU 102 104 104 LEU LEU L . n B 2 103 THR 103 105 105 THR THR L . n B 2 104 VAL 104 106 106 VAL VAL L . n B 2 105 LEU 105 107 107 LEU LEU L . n B 2 106 GLY 106 108 108 GLY GLY L . n B 2 107 GLN 107 109 109 GLN GLN L . n B 2 108 PRO 108 110 110 PRO PRO L . n B 2 109 LYS 109 111 111 LYS LYS L . n B 2 110 ALA 110 112 112 ALA ALA L . n B 2 111 ALA 111 113 113 ALA ALA L . n B 2 112 PRO 112 114 114 PRO PRO L . n B 2 113 SER 113 115 115 SER SER L . n B 2 114 VAL 114 116 116 VAL VAL L . n B 2 115 THR 115 117 117 THR THR L . n B 2 116 LEU 116 118 118 LEU LEU L . n B 2 117 PHE 117 119 119 PHE PHE L . n B 2 118 PRO 118 120 120 PRO PRO L . n B 2 119 PRO 119 121 121 PRO PRO L . n B 2 120 SER 120 122 122 SER SER L . n B 2 121 SER 121 123 123 SER SER L . n B 2 122 GLU 122 124 124 GLU GLU L . n B 2 123 GLU 123 125 125 GLU GLU L . n B 2 124 LEU 124 126 126 LEU LEU L . n B 2 125 GLN 125 127 127 GLN GLN L . n B 2 126 ALA 126 128 128 ALA ALA L . n B 2 127 ASN 127 129 129 ASN ASN L . n B 2 128 LYS 128 130 130 LYS LYS L . n B 2 129 ALA 129 131 131 ALA ALA L . n B 2 130 THR 130 132 132 THR THR L . n B 2 131 LEU 131 133 133 LEU LEU L . n B 2 132 VAL 132 134 134 VAL VAL L . n B 2 133 CYS 133 135 135 CYS CYS L . n B 2 134 LEU 134 136 136 LEU LEU L . n B 2 135 ILE 135 137 137 ILE ILE L . n B 2 136 SER 136 138 138 SER SER L . n B 2 137 ASP 137 139 139 ASP ASP L . n B 2 138 PHE 138 140 140 PHE PHE L . n B 2 139 TYR 139 141 141 TYR TYR L . n B 2 140 PRO 140 142 142 PRO PRO L . n B 2 141 GLY 141 143 143 GLY GLY L . n B 2 142 ALA 142 144 144 ALA ALA L . n B 2 143 VAL 143 145 145 VAL VAL L . n B 2 144 THR 144 146 146 THR THR L . n B 2 145 VAL 145 147 147 VAL VAL L . n B 2 146 ALA 146 148 148 ALA ALA L . n B 2 147 TRP 147 149 149 TRP TRP L . n B 2 148 LYS 148 150 150 LYS LYS L . n B 2 149 ALA 149 151 151 ALA ALA L . n B 2 150 ASP 150 152 152 ASP ASP L . n B 2 151 SER 151 153 153 SER SER L . n B 2 152 SER 152 154 154 SER SER L . n B 2 153 PRO 153 155 155 PRO PRO L . n B 2 154 VAL 154 156 156 VAL VAL L . n B 2 155 LYS 155 157 157 LYS LYS L . n B 2 156 ALA 156 158 158 ALA ALA L . n B 2 157 GLY 157 159 159 GLY GLY L . n B 2 158 VAL 158 160 160 VAL VAL L . n B 2 159 GLU 159 161 161 GLU GLU L . n B 2 160 THR 160 162 162 THR THR L . n B 2 161 THR 161 163 163 THR THR L . n B 2 162 THR 162 164 164 THR THR L . n B 2 163 PRO 163 165 165 PRO PRO L . n B 2 164 SER 164 166 166 SER SER L . n B 2 165 LYS 165 167 167 LYS LYS L . n B 2 166 GLN 166 168 168 GLN GLN L . n B 2 167 SER 167 169 169 SER SER L . n B 2 168 ASN 168 170 170 ASN ASN L . n B 2 169 ASN 169 171 171 ASN ASN L . n B 2 170 LYS 170 172 172 LYS LYS L . n B 2 171 TYR 171 173 173 TYR TYR L . n B 2 172 ALA 172 174 174 ALA ALA L . n B 2 173 ALA 173 175 175 ALA ALA L . n B 2 174 SER 174 176 176 SER SER L . n B 2 175 SER 175 177 177 SER SER L . n B 2 176 TYR 176 178 178 TYR TYR L . n B 2 177 LEU 177 179 179 LEU LEU L . n B 2 178 SER 178 180 180 SER SER L . n B 2 179 LEU 179 181 181 LEU LEU L . n B 2 180 THR 180 182 182 THR THR L . n B 2 181 PRO 181 183 183 PRO PRO L . n B 2 182 GLU 182 184 184 GLU GLU L . n B 2 183 GLN 183 185 185 GLN GLN L . n B 2 184 TRP 184 186 186 TRP TRP L . n B 2 185 LYS 185 187 187 LYS LYS L . n B 2 186 SER 186 188 188 SER SER L . n B 2 187 HIS 187 189 189 HIS HIS L . n B 2 188 ARG 188 190 190 ARG ARG L . n B 2 189 SER 189 191 191 SER SER L . n B 2 190 TYR 190 192 192 TYR TYR L . n B 2 191 SER 191 193 193 SER SER L . n B 2 192 CYS 192 194 194 CYS CYS L . n B 2 193 GLN 193 195 195 GLN GLN L . n B 2 194 VAL 194 196 196 VAL VAL L . n B 2 195 THR 195 197 197 THR THR L . n B 2 196 HIS 196 198 198 HIS HIS L . n B 2 197 GLU 197 199 199 GLU GLU L . n B 2 198 GLY 198 200 200 GLY GLY L . n B 2 199 SER 199 201 201 SER SER L . n B 2 200 THR 200 202 202 THR THR L . n B 2 201 VAL 201 203 203 VAL VAL L . n B 2 202 GLU 202 204 204 GLU GLU L . n B 2 203 LYS 203 205 205 LYS LYS L . n B 2 204 THR 204 206 206 THR THR L . n B 2 205 VAL 205 207 207 VAL VAL L . n B 2 206 ALA 206 208 208 ALA ALA L . n B 2 207 PRO 207 209 209 PRO PRO L . n B 2 208 THR 208 210 ? ? ? L . n B 2 209 GLU 209 211 ? ? ? L . n B 2 210 CYS 210 212 ? ? ? L . n B 2 211 SER 211 213 ? ? ? L . n # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id ASN _pdbx_struct_mod_residue.label_seq_id 124 _pdbx_struct_mod_residue.auth_asym_id H _pdbx_struct_mod_residue.auth_comp_id ASN _pdbx_struct_mod_residue.auth_seq_id 105 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id ASN _pdbx_struct_mod_residue.details 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details dimeric _pdbx_struct_assembly.oligomeric_count 2 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 5880 ? 1 MORE 5 ? 1 'SSA (A^2)' 21650 ? # _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 2012-11-14 2 'Structure model' 1 1 2012-11-21 3 'Structure model' 1 2 2012-12-12 # _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' Advisory 2 2 'Structure model' 'Data collection' 3 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 -29.1052 -1.1426 -28.2499 0.1922 0.1453 0.1066 -0.0202 -0.0182 -0.0115 4.7689 2.5196 2.4136 -0.8620 -1.5988 -0.5474 -0.0435 -0.2209 -0.1148 0.0572 0.0406 -0.0512 0.1255 0.1542 0.0073 'X-RAY DIFFRACTION' 2 ? refined -14.1242 -2.6627 -21.3212 0.2266 0.1612 0.1292 -0.0165 0.0049 -0.0214 2.5366 0.9378 0.4640 -1.1881 0.7671 -0.6337 0.0227 0.1912 0.0572 -0.0372 -0.0892 -0.0505 0.0653 0.1001 0.0646 'X-RAY DIFFRACTION' 3 ? refined -32.7908 6.3410 -0.1661 0.2223 0.2215 0.2031 0.0203 0.0466 -0.0469 1.6961 3.8097 2.3349 -2.4105 1.8219 -2.0844 0.0004 -0.0734 -0.0244 0.4190 0.3505 -0.1511 -0.2185 -0.1096 -0.0971 'X-RAY DIFFRACTION' 4 ? refined -38.5691 -0.4617 -10.3279 0.2071 0.2009 0.2884 0.0042 -0.0008 0.0427 1.7111 2.3118 2.2986 -1.1835 0.9197 -0.9546 0.0899 -0.2240 -0.4125 -0.0495 0.1693 0.4073 0.2320 -0.2281 -0.2571 'X-RAY DIFFRACTION' 5 ? refined -36.8679 7.1838 -7.7261 0.1902 0.2193 0.2713 -0.0376 0.0327 0.0399 1.1178 2.7056 1.9606 -1.4467 1.2945 -1.1757 -0.0859 -0.2303 0.0278 0.0931 0.1678 0.1243 -0.0261 -0.1083 -0.1161 'X-RAY DIFFRACTION' 6 ? refined -17.8283 -4.8439 -0.6332 0.2782 0.2008 0.1971 -0.0088 0.0075 0.0290 3.2976 0.5793 0.1476 -0.3824 -0.4374 0.2741 -0.0408 -0.2774 -0.0700 0.1612 -0.0227 0.2147 0.1045 0.0732 0.0974 'X-RAY DIFFRACTION' 7 ? refined -5.1258 0.8713 -8.4189 0.1651 0.1891 0.1530 0.0318 0.0095 0.0104 3.1674 3.6048 1.7857 1.2101 -0.7462 -0.6259 -0.0130 -0.0611 0.0936 -0.1689 -0.0719 -0.2227 -0.1490 0.0491 0.0436 # 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 ? ? ? ? ? ? ? ? ? ;chain 'H' and (resid 1 through 51 ) ; 'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? ;chain 'H' and (resid 52 through 213 ) ; 'X-RAY DIFFRACTION' 3 3 ? ? ? ? ? ? ? ? ? ;chain 'L' and (resid 10 through 30 ) ; 'X-RAY DIFFRACTION' 4 4 ? ? ? ? ? ? ? ? ? ;chain 'L' and (resid 31 through 61 ) ; 'X-RAY DIFFRACTION' 5 5 ? ? ? ? ? ? ? ? ? ;chain 'L' and (resid 62 through 98 ) ; 'X-RAY DIFFRACTION' 6 6 ? ? ? ? ? ? ? ? ? ;chain 'L' and (resid 99 through 119 ) ; 'X-RAY DIFFRACTION' 7 7 ? ? ? ? ? ? ? ? ? ;chain 'L' and (resid 120 through 209 ) ; # _pdbx_phasing_MR.entry_id 4FQC _pdbx_phasing_MR.method_rotation ? _pdbx_phasing_MR.method_translation ? _pdbx_phasing_MR.model_details ? _pdbx_phasing_MR.R_factor ? _pdbx_phasing_MR.R_rigid_body ? _pdbx_phasing_MR.correlation_coeff_Fo_to_Fc ? _pdbx_phasing_MR.correlation_coeff_Io_to_Ic ? _pdbx_phasing_MR.d_res_high_rotation 2.500 _pdbx_phasing_MR.d_res_low_rotation 38.660 _pdbx_phasing_MR.d_res_high_translation 2.500 _pdbx_phasing_MR.d_res_low_translation 38.660 _pdbx_phasing_MR.packing ? _pdbx_phasing_MR.reflns_percent_rotation ? _pdbx_phasing_MR.reflns_percent_translation ? _pdbx_phasing_MR.sigma_F_rotation ? _pdbx_phasing_MR.sigma_F_translation ? _pdbx_phasing_MR.sigma_I_rotation ? _pdbx_phasing_MR.sigma_I_translation ? # _phasing.method MR # loop_ _software.pdbx_ordinal _software.name _software.version _software.date _software.type _software.contact_author _software.contact_author_email _software.classification _software.location _software.language _software.citation_id 1 SCALA 3.3.16 2010/01/06 other 'Phil R. Evans' pre@mrc-lmb.cam.ac.uk 'data scaling' http://www.ccp4.ac.uk/dist/html/scala.html Fortran_77 ? 2 PHASER . ? program 'Randy J. Read' cimr-phaser@lists.cam.ac.uk phasing http://www-structmed.cimr.cam.ac.uk/phaser/ ? ? 3 PHENIX 1.8_1069 ? package 'Paul D. Adams' PDAdams@lbl.gov refinement http://www.phenix-online.org/ C++ ? 4 PDB_EXTRACT 3.11 'August 3, 2011' package PDB deposit@deposit.rcsb.org 'data extraction' http://sw-tools.pdb.org/apps/PDB_EXTRACT/ C++ ? 5 XSCALE . ? ? ? ? 'data scaling' ? ? ? # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASN L 51 ? ? 76.37 -58.60 2 1 ASP L 152 ? ? 54.81 -114.23 # 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 0 H GLN 1 ? CG ? A GLN 1 CG 2 1 Y 0 H GLN 1 ? CD ? A GLN 1 CD 3 1 Y 0 H GLN 1 ? OE1 ? A GLN 1 OE1 4 1 Y 0 H GLN 1 ? NE2 ? A GLN 1 NE2 5 1 Y 0 H LYS 43 ? CG ? A LYS 43 CG 6 1 Y 0 H LYS 43 ? CD ? A LYS 43 CD 7 1 Y 0 H LYS 43 ? CE ? A LYS 43 CE 8 1 Y 0 H LYS 43 ? NZ ? A LYS 43 NZ 9 1 Y 0 H LYS 64 ? CG ? A LYS 64 CG 10 1 Y 0 H LYS 64 ? CD ? A LYS 64 CD 11 1 Y 0 H LYS 64 ? CE ? A LYS 64 CE 12 1 Y 0 H LYS 64 ? NZ ? A LYS 64 NZ 13 1 Y 0 H LYS 201 ? CG ? A LYS 220 CG 14 1 Y 0 H LYS 201 ? CD ? A LYS 220 CD 15 1 Y 0 H LYS 201 ? CE ? A LYS 220 CE 16 1 Y 0 H LYS 201 ? NZ ? A LYS 220 NZ 17 1 Y 0 H LYS 206 ? CG ? A LYS 225 CG 18 1 Y 0 H LYS 206 ? CD ? A LYS 225 CD 19 1 Y 0 H LYS 206 ? CE ? A LYS 225 CE 20 1 Y 0 H LYS 206 ? NZ ? A LYS 225 NZ 21 1 Y 0 H ARG 210 ? CG ? A ARG 229 CG 22 1 Y 0 H ARG 210 ? CD ? A ARG 229 CD 23 1 Y 0 H ARG 210 ? NE ? A ARG 229 NE 24 1 Y 0 H ARG 210 ? CZ ? A ARG 229 CZ 25 1 Y 0 H ARG 210 ? NH1 ? A ARG 229 NH1 26 1 Y 0 H ARG 210 ? NH2 ? A ARG 229 NH2 27 1 Y 0 H GLU 212 ? CG ? A GLU 231 CG 28 1 Y 0 H GLU 212 ? CD ? A GLU 231 CD 29 1 Y 0 H GLU 212 ? OE1 ? A GLU 231 OE1 30 1 Y 0 H GLU 212 ? OE2 ? A GLU 231 OE2 31 1 Y 0 L GLU 25 ? CG ? B GLU 17 CG 32 1 Y 0 L GLU 25 ? CD ? B GLU 17 CD 33 1 Y 0 L GLU 25 ? OE1 ? B GLU 17 OE1 34 1 Y 0 L GLU 25 ? OE2 ? B GLU 17 OE2 35 1 Y 0 L GLU 60 ? CG ? B GLU 52 CG 36 1 Y 0 L GLU 60 ? CD ? B GLU 52 CD 37 1 Y 0 L GLU 60 ? OE1 ? B GLU 52 OE1 38 1 Y 0 L GLU 60 ? OE2 ? B GLU 52 OE2 39 1 Y 0 L LYS 95 C CG ? B LYS 93 CG 40 1 Y 0 L LYS 95 C CD ? B LYS 93 CD 41 1 Y 0 L LYS 95 C CE ? B LYS 93 CE 42 1 Y 0 L LYS 95 C NZ ? B LYS 93 NZ 43 1 Y 0 L LYS 157 ? CG ? B LYS 155 CG 44 1 Y 0 L LYS 157 ? CD ? B LYS 155 CD 45 1 Y 0 L LYS 157 ? CE ? B LYS 155 CE 46 1 Y 0 L LYS 157 ? NZ ? B LYS 155 NZ 47 1 Y 0 L LYS 167 ? CG ? B LYS 165 CG 48 1 Y 0 L LYS 167 ? CD ? B LYS 165 CD 49 1 Y 0 L LYS 167 ? CE ? B LYS 165 CE 50 1 Y 0 L LYS 167 ? NZ ? B LYS 165 NZ 51 1 Y 0 L GLU 184 ? CG ? B GLU 182 CG 52 1 Y 0 L GLU 184 ? CD ? B GLU 182 CD 53 1 Y 0 L GLU 184 ? OE1 ? B GLU 182 OE1 54 1 Y 0 L GLU 184 ? OE2 ? B GLU 182 OE2 55 1 Y 0 L LYS 187 ? CG ? B LYS 185 CG 56 1 Y 0 L LYS 187 ? CD ? B LYS 185 CD 57 1 Y 0 L LYS 187 ? CE ? B LYS 185 CE 58 1 Y 0 L LYS 187 ? NZ ? B LYS 185 NZ # 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 H SER 127 ? A SER 146 2 1 Y 1 H SER 128 ? A SER 147 3 1 Y 1 H LYS 129 ? A LYS 148 4 1 Y 1 H SER 130 ? A SER 149 5 1 Y 1 H THR 131 ? A THR 150 6 1 Y 1 H LYS 214 ? A LYS 233 7 1 Y 1 H SER 215 ? A SER 234 8 1 Y 1 H CYS 216 ? A CYS 235 9 1 Y 1 H ASP 217 ? A ASP 236 10 1 Y 1 H LYS 218 ? A LYS 237 11 1 Y 1 H THR 219 ? A THR 238 12 1 Y 1 H HIS 220 ? A HIS 239 13 1 Y 1 H HIS 221 ? A HIS 240 14 1 Y 1 H HIS 222 ? A HIS 241 15 1 Y 1 H HIS 223 ? A HIS 242 16 1 Y 1 H HIS 224 ? A HIS 243 17 1 Y 1 H HIS 225 ? A HIS 244 18 1 Y 1 L SER 9 ? B SER 1 19 1 Y 1 L THR 210 ? B THR 208 20 1 Y 1 L GLU 211 ? B GLU 209 21 1 Y 1 L CYS 212 ? B CYS 210 22 1 Y 1 L SER 213 ? B SER 211 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 3 BETA-D-MANNOSE BMA 4 ALPHA-D-MANNOSE MAN 5 N-ACETYL-D-GLUCOSAMINE NAG 6 BETA-D-GALACTOSE GAL 7 ALPHA-L-FUCOSE FUC 8 'O-SIALIC ACID' SIA 9 'TRIS(HYDROXYETHYL)AMINOMETHANE' TAM 10 water HOH # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code C 3 BMA 1 301 301 BMA BMA H . D 4 MAN 2 302 302 MAN MAN H . E 4 MAN 3 303 303 MAN MAN H . F 5 NAG 4 304 304 NAG NAG H . G 5 NAG 5 305 305 NAG NAG H . H 5 NAG 6 306 306 NAG NAG H . I 5 NAG 7 307 307 NAG NAG H . J 6 GAL 8 308 308 GAL GAL H . K 7 FUC 9 309 309 FUC FUC H . L 8 SIA 10 310 310 SIA SIA H . M 9 TAM 1 311 311 TAM TAM H . N 10 HOH 1 401 401 HOH HOH H . N 10 HOH 2 402 402 HOH HOH H . N 10 HOH 3 403 403 HOH HOH H . N 10 HOH 4 404 404 HOH HOH H . N 10 HOH 5 405 405 HOH HOH H . N 10 HOH 6 406 406 HOH HOH H . N 10 HOH 7 407 407 HOH HOH H . N 10 HOH 8 408 408 HOH HOH H . N 10 HOH 9 409 409 HOH HOH H . N 10 HOH 10 410 410 HOH HOH H . N 10 HOH 11 411 411 HOH HOH H . N 10 HOH 12 412 412 HOH HOH H . N 10 HOH 13 413 413 HOH HOH H . N 10 HOH 14 414 414 HOH HOH H . N 10 HOH 15 415 415 HOH HOH H . N 10 HOH 16 416 416 HOH HOH H . N 10 HOH 17 417 417 HOH HOH H . N 10 HOH 18 418 418 HOH HOH H . N 10 HOH 19 419 419 HOH HOH H . N 10 HOH 20 420 420 HOH HOH H . N 10 HOH 21 421 421 HOH HOH H . N 10 HOH 22 422 422 HOH HOH H . N 10 HOH 23 423 423 HOH HOH H . N 10 HOH 24 424 424 HOH HOH H . N 10 HOH 25 425 425 HOH HOH H . N 10 HOH 26 426 426 HOH HOH H . N 10 HOH 27 427 427 HOH HOH H . N 10 HOH 28 428 428 HOH HOH H . N 10 HOH 29 429 429 HOH HOH H . N 10 HOH 30 430 430 HOH HOH H . N 10 HOH 31 431 431 HOH HOH H . N 10 HOH 32 432 432 HOH HOH H . N 10 HOH 33 434 434 HOH HOH H . N 10 HOH 34 435 435 HOH HOH H . N 10 HOH 35 436 436 HOH HOH H . N 10 HOH 36 437 437 HOH HOH H . N 10 HOH 37 438 438 HOH HOH H . N 10 HOH 38 439 439 HOH HOH H . N 10 HOH 39 440 440 HOH HOH H . N 10 HOH 40 441 441 HOH HOH H . N 10 HOH 41 442 442 HOH HOH H . N 10 HOH 42 443 443 HOH HOH H . N 10 HOH 43 444 444 HOH HOH H . N 10 HOH 44 445 445 HOH HOH H . N 10 HOH 45 446 446 HOH HOH H . N 10 HOH 46 447 447 HOH HOH H . N 10 HOH 47 448 448 HOH HOH H . N 10 HOH 48 450 450 HOH HOH H . N 10 HOH 49 451 451 HOH HOH H . N 10 HOH 50 452 452 HOH HOH H . N 10 HOH 51 453 453 HOH HOH H . N 10 HOH 52 454 454 HOH HOH H . N 10 HOH 53 455 455 HOH HOH H . N 10 HOH 54 456 456 HOH HOH H . N 10 HOH 55 457 457 HOH HOH H . N 10 HOH 56 458 458 HOH HOH H . N 10 HOH 57 459 459 HOH HOH H . N 10 HOH 58 460 460 HOH HOH H . N 10 HOH 59 461 461 HOH HOH H . N 10 HOH 60 462 462 HOH HOH H . N 10 HOH 61 463 463 HOH HOH H . N 10 HOH 62 464 464 HOH HOH H . N 10 HOH 63 465 465 HOH HOH H . N 10 HOH 64 466 466 HOH HOH H . N 10 HOH 65 467 467 HOH HOH H . N 10 HOH 66 468 468 HOH HOH H . N 10 HOH 67 469 469 HOH HOH H . N 10 HOH 68 470 470 HOH HOH H . N 10 HOH 69 471 471 HOH HOH H . N 10 HOH 70 474 474 HOH HOH H . N 10 HOH 71 475 475 HOH HOH H . N 10 HOH 72 476 476 HOH HOH H . N 10 HOH 73 477 477 HOH HOH H . N 10 HOH 74 478 478 HOH HOH H . N 10 HOH 75 479 479 HOH HOH H . N 10 HOH 76 480 480 HOH HOH H . N 10 HOH 77 481 481 HOH HOH H . O 10 HOH 1 401 401 HOH HOH L . O 10 HOH 2 402 402 HOH HOH L . O 10 HOH 3 403 403 HOH HOH L . O 10 HOH 4 404 404 HOH HOH L . O 10 HOH 5 405 405 HOH HOH L . O 10 HOH 6 406 406 HOH HOH L . O 10 HOH 7 407 407 HOH HOH L . O 10 HOH 8 408 408 HOH HOH L . O 10 HOH 9 409 409 HOH HOH L . O 10 HOH 10 410 410 HOH HOH L . O 10 HOH 11 411 411 HOH HOH L . O 10 HOH 12 412 412 HOH HOH L . O 10 HOH 13 413 413 HOH HOH L . O 10 HOH 14 414 414 HOH HOH L . O 10 HOH 15 415 415 HOH HOH L . O 10 HOH 16 416 416 HOH HOH L . O 10 HOH 17 417 417 HOH HOH L . O 10 HOH 18 418 418 HOH HOH L . O 10 HOH 19 419 419 HOH HOH L . O 10 HOH 20 420 420 HOH HOH L . O 10 HOH 21 421 421 HOH HOH L . O 10 HOH 22 422 422 HOH HOH L . O 10 HOH 23 423 423 HOH HOH L . O 10 HOH 24 424 424 HOH HOH L . O 10 HOH 25 425 425 HOH HOH L . O 10 HOH 26 426 426 HOH HOH L . O 10 HOH 27 427 427 HOH HOH L . O 10 HOH 28 428 428 HOH HOH L . O 10 HOH 29 429 429 HOH HOH L . O 10 HOH 30 430 430 HOH HOH L . O 10 HOH 31 431 431 HOH HOH L . O 10 HOH 32 432 432 HOH HOH L . O 10 HOH 33 433 433 HOH HOH L . O 10 HOH 34 434 434 HOH HOH L . O 10 HOH 35 435 435 HOH HOH L . O 10 HOH 36 436 436 HOH HOH L . O 10 HOH 37 437 437 HOH HOH L . O 10 HOH 38 438 438 HOH HOH L . O 10 HOH 39 439 439 HOH HOH L . O 10 HOH 40 440 440 HOH HOH L . O 10 HOH 41 441 441 HOH HOH L . O 10 HOH 42 442 442 HOH HOH L . O 10 HOH 43 443 443 HOH HOH L . O 10 HOH 44 444 444 HOH HOH L . O 10 HOH 45 445 445 HOH HOH L . O 10 HOH 46 446 446 HOH HOH L . O 10 HOH 47 447 447 HOH HOH L . O 10 HOH 48 448 448 HOH HOH L . O 10 HOH 49 449 449 HOH HOH L . O 10 HOH 50 450 450 HOH HOH L . O 10 HOH 51 451 451 HOH HOH L . O 10 HOH 52 452 452 HOH HOH L . O 10 HOH 53 453 453 HOH HOH L . O 10 HOH 54 454 454 HOH HOH L . O 10 HOH 55 455 455 HOH HOH L . O 10 HOH 56 456 456 HOH HOH L . O 10 HOH 57 457 457 HOH HOH L . O 10 HOH 58 458 458 HOH HOH L . O 10 HOH 59 459 459 HOH HOH L . O 10 HOH 60 460 460 HOH HOH L . O 10 HOH 61 461 461 HOH HOH L . O 10 HOH 62 462 462 HOH HOH L . O 10 HOH 63 463 463 HOH HOH L . O 10 HOH 64 464 464 HOH HOH L . O 10 HOH 65 466 466 HOH HOH L . O 10 HOH 66 467 467 HOH HOH L . O 10 HOH 67 469 469 HOH HOH L . O 10 HOH 68 470 470 HOH HOH L . O 10 HOH 69 471 471 HOH HOH L . #